smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cc[nH+]cc2)CC1 13470045 536424723 /nfs/dbraw/zinc/42/47/23/536424723.db2.gz NGHHVCGBOOCIBY-UHFFFAOYSA-N 2 0 177.251 0.833 10 0 ACAERP CC[NH2+]C[C@H](C[NH3+])C(F)(F)F 18681424 537776881 /nfs/dbraw/zinc/77/68/81/537776881.db2.gz FVZHUQVONIWAJV-YFKPBYRVSA-N 2 0 170.178 0.733 10 0 ACAERP CC[NH2+]C[C@@H](C[NH3+])C(F)(F)F 18681422 537779127 /nfs/dbraw/zinc/77/91/27/537779127.db2.gz FVZHUQVONIWAJV-RXMQYKEDSA-N 2 0 170.178 0.733 10 0 ACAERP [NH3+]C[C@@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 18789351 537779195 /nfs/dbraw/zinc/77/91/95/537779195.db2.gz SBPAQIGKPUZWAO-WCTZXXKLSA-N 2 0 140.230 0.319 10 0 ACAERP [NH3+]C[C@H]1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 18789353 537779270 /nfs/dbraw/zinc/77/92/70/537779270.db2.gz SBPAQIGKPUZWAO-LXGUWJNJSA-N 2 0 140.230 0.319 10 0 ACAERP CC[NH+]1CCC2(CC1)OCC[C@@H]2[NH3+] 675068484 537779352 /nfs/dbraw/zinc/77/93/52/537779352.db2.gz ALXOVUGTQSTPOX-VIFPVBQESA-N 2 0 184.283 0.589 10 0 ACAERP CC[NH+]1CCC2(CC1)OCC[C@H]2[NH3+] 675068481 537779517 /nfs/dbraw/zinc/77/95/17/537779517.db2.gz ALXOVUGTQSTPOX-SECBINFHSA-N 2 0 184.283 0.589 10 0 ACAERP [NH3+]C[C@H]1C[C@@H]2[C@@H]([NH3+])C[C@H]2C1 675070707 537783107 /nfs/dbraw/zinc/78/31/07/537783107.db2.gz SBPAQIGKPUZWAO-NGJRWZKOSA-N 2 0 140.230 0.319 10 0 ACAERP CC(C)[NH+]1CCC2(CC1)OCC[C@@H]2[NH3+] 675070523 537783918 /nfs/dbraw/zinc/78/39/18/537783918.db2.gz OZUKOPWXSQXPNZ-JTQLQIEISA-N 2 0 198.310 0.977 10 0 ACAERP [NH3+]C1CCC2(CC1)OCC[C@@H]2[NH3+] 675070607 537784023 /nfs/dbraw/zinc/78/40/23/537784023.db2.gz QAUFAABBIMWZPK-MGURRDGZSA-N 2 0 170.256 0.374 10 0 ACAERP [NH3+]C[C@H]1C[C@@H]2[C@H]([NH3+])C[C@H]2C1 675070710 537784216 /nfs/dbraw/zinc/78/42/16/537784216.db2.gz SBPAQIGKPUZWAO-OOJXKGFFSA-N 2 0 140.230 0.319 10 0 ACAERP [NH3+]C[C@@H]1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 675070711 537784650 /nfs/dbraw/zinc/78/46/50/537784650.db2.gz SBPAQIGKPUZWAO-XUTVFYLZSA-N 2 0 140.230 0.319 10 0 ACAERP CC(C)[NH+]1CCC2(CC1)OCC[C@H]2[NH3+] 675070526 537784665 /nfs/dbraw/zinc/78/46/65/537784665.db2.gz OZUKOPWXSQXPNZ-SNVBAGLBSA-N 2 0 198.310 0.977 10 0 ACAERP CN(CC[NH3+])C[C@@H]1CCCCO1 20439830 537785265 /nfs/dbraw/zinc/78/52/65/537785265.db2.gz NQUGMNAKKGJMNQ-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CN(CC[NH3+])C[C@H]1CCCCO1 20439834 537785285 /nfs/dbraw/zinc/78/52/85/537785285.db2.gz NQUGMNAKKGJMNQ-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP [NH3+]C1CCC2(CC1)OCC[C@H]2[NH3+] 675070608 537785444 /nfs/dbraw/zinc/78/54/44/537785444.db2.gz QAUFAABBIMWZPK-QJAFJHJLSA-N 2 0 170.256 0.374 10 0 ACAERP C[NH+]1CCC2(CC1)OC[C@@H]1C[C@@]12[NH3+] 675072688 537790340 /nfs/dbraw/zinc/79/03/40/537790340.db2.gz CQZAGGGMXJKRDB-WCBMZHEXSA-N 2 0 182.267 0.198 10 0 ACAERP [NH3+]C[C@@H]1CC[C@H]2CCC[NH2+][C@@H]12 24053929 537786341 /nfs/dbraw/zinc/78/63/41/537786341.db2.gz SYWPJCLOMZMSQJ-HRDYMLBCSA-N 2 0 154.257 0.723 10 0 ACAERP CC[NH2+]C[C@H]1C[NH2+]CC12CC2 675074859 537791032 /nfs/dbraw/zinc/79/10/32/537791032.db2.gz CIFRGTJBYATPSK-QMMMGPOBSA-N 2 0 154.257 0.596 10 0 ACAERP [NH3+]C[C@@H]1CC[C@@H]2CCC[NH2+][C@@H]12 24053925 537787169 /nfs/dbraw/zinc/78/71/69/537787169.db2.gz SYWPJCLOMZMSQJ-XHNCKOQMSA-N 2 0 154.257 0.723 10 0 ACAERP CCC[NH2+]C[C@H]1C[NH2+]CC12CC2 675075175 537788845 /nfs/dbraw/zinc/78/88/45/537788845.db2.gz HKRZJVJJEIDRFR-VIFPVBQESA-N 2 0 168.284 0.986 10 0 ACAERP [NH3+]C1(C2CC2)CC[NH2+]CC1 23789529 537789107 /nfs/dbraw/zinc/78/91/07/537789107.db2.gz UOIFETGUWHSRIC-UHFFFAOYSA-N 2 0 140.230 0.477 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@]2(CCC[NH2+]C2)O1 675072416 537789212 /nfs/dbraw/zinc/78/92/12/537789212.db2.gz GBFBNJOHWXGUAR-VHSXEESVSA-N 2 0 184.283 0.636 10 0 ACAERP C[NH+]1CCC2(CC1)OC[C@H]1C[C@]12[NH3+] 675072687 537789421 /nfs/dbraw/zinc/78/94/21/537789421.db2.gz CQZAGGGMXJKRDB-SCZZXKLOSA-N 2 0 182.267 0.198 10 0 ACAERP [NH3+]C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1 675072499 537789525 /nfs/dbraw/zinc/78/95/25/537789525.db2.gz HZJLZJNUZACSBZ-BDAKNGLRSA-N 2 0 170.256 0.246 10 0 ACAERP CC[NH2+]C[C@@H]1C[NH2+]CC12CC2 675074855 537789532 /nfs/dbraw/zinc/78/95/32/537789532.db2.gz CIFRGTJBYATPSK-MRVPVSSYSA-N 2 0 154.257 0.596 10 0 ACAERP C1CC1[NH2+]C[C@@H]1C[NH2+]CC12CC2 675074875 537789684 /nfs/dbraw/zinc/78/96/84/537789684.db2.gz CKSZGOBMBYNWQO-QMMMGPOBSA-N 2 0 166.268 0.738 10 0 ACAERP [NH3+]C[C@H]1CCC[C@]2(CCC[NH2+]C2)O1 675072414 537789756 /nfs/dbraw/zinc/78/97/56/537789756.db2.gz GBFBNJOHWXGUAR-NXEZZACHSA-N 2 0 184.283 0.636 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1 675072501 537789769 /nfs/dbraw/zinc/78/97/69/537789769.db2.gz HZJLZJNUZACSBZ-DTWKUNHWSA-N 2 0 170.256 0.246 10 0 ACAERP [NH3+]C[C@@H]1CCCC2(CC[NH2+]CC2)O1 675072373 537789838 /nfs/dbraw/zinc/78/98/38/537789838.db2.gz DVAJAXQZUKHRKO-VIFPVBQESA-N 2 0 184.283 0.636 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1 675072502 537789862 /nfs/dbraw/zinc/78/98/62/537789862.db2.gz HZJLZJNUZACSBZ-IUCAKERBSA-N 2 0 170.256 0.246 10 0 ACAERP [NH3+]C[C@H]1CCCC2(CC[NH2+]CC2)O1 675072371 537790040 /nfs/dbraw/zinc/79/00/40/537790040.db2.gz DVAJAXQZUKHRKO-SECBINFHSA-N 2 0 184.283 0.636 10 0 ACAERP C1CC1[NH2+]C[C@H]1C[NH2+]CC12CC2 675074871 537790073 /nfs/dbraw/zinc/79/00/73/537790073.db2.gz CKSZGOBMBYNWQO-MRVPVSSYSA-N 2 0 166.268 0.738 10 0 ACAERP [NH3+]C[C@H]1CCC[C@@]2(CCC[NH2+]C2)O1 675072417 537790121 /nfs/dbraw/zinc/79/01/21/537790121.db2.gz GBFBNJOHWXGUAR-ZJUUUORDSA-N 2 0 184.283 0.636 10 0 ACAERP CC[NH+]1CCC2(CC1)OC[C@@H]1C[C@@]12[NH3+] 675073189 537790321 /nfs/dbraw/zinc/79/03/21/537790321.db2.gz GVTMDCCWPHCYDJ-GXSJLCMTSA-N 2 0 196.294 0.589 10 0 ACAERP CCC[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075174 537790361 /nfs/dbraw/zinc/79/03/61/537790361.db2.gz HKRZJVJJEIDRFR-SECBINFHSA-N 2 0 168.284 0.986 10 0 ACAERP [NH3+]C[C@H]1CCC[C@]2(CC[NH2+]C2)O1 675072505 537790654 /nfs/dbraw/zinc/79/06/54/537790654.db2.gz HZJLZJNUZACSBZ-RKDXNWHRSA-N 2 0 170.256 0.246 10 0 ACAERP CC[NH+]1CCC2(CC1)OC[C@H]1C[C@]12[NH3+] 675073190 537790849 /nfs/dbraw/zinc/79/08/49/537790849.db2.gz GVTMDCCWPHCYDJ-KOLCDFICSA-N 2 0 196.294 0.589 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@@]2(CCC[NH2+]C2)O1 675072415 537790875 /nfs/dbraw/zinc/79/08/75/537790875.db2.gz GBFBNJOHWXGUAR-UWVGGRQHSA-N 2 0 184.283 0.636 10 0 ACAERP COCCC[NH2+]C[C@H]1C[NH2+]CC12CC2 675075329 537791621 /nfs/dbraw/zinc/79/16/21/537791621.db2.gz MHQVZVJQIXUNTG-JTQLQIEISA-N 2 0 198.310 0.612 10 0 ACAERP c1nn2c(c1[C@H]1CC[NH2+]C1)C[NH2+]CC2 675077184 537791744 /nfs/dbraw/zinc/79/17/44/537791744.db2.gz ZTTFEQAZLQFNBO-QMMMGPOBSA-N 2 0 192.266 0.063 10 0 ACAERP [NH3+]C1CCC2(CC1)C[NH2+]CCO2 675075734 537792013 /nfs/dbraw/zinc/79/20/13/537792013.db2.gz QAABGXZKVBVNCX-UHFFFAOYSA-N 2 0 170.256 0.246 10 0 ACAERP CC(C)[NH2+]C[C@@H]1C[NH2+]CC12CC2 675076140 537792460 /nfs/dbraw/zinc/79/24/60/537792460.db2.gz ZMBFOCWDAFFSNE-VIFPVBQESA-N 2 0 168.284 0.984 10 0 ACAERP CC[NH2+]Cc1cc(C2C[NH2+]C2)n[nH]1 675075562 537792535 /nfs/dbraw/zinc/79/25/35/537792535.db2.gz AWFVLNGOPZAXMB-UHFFFAOYSA-N 2 0 180.255 0.206 10 0 ACAERP c1c(C2C[NH2+]C2)n[nH]c1C[NH2+]C1CC1 675075753 537792744 /nfs/dbraw/zinc/79/27/44/537792744.db2.gz DYPDQJYERRWPRH-UHFFFAOYSA-N 2 0 192.266 0.349 10 0 ACAERP CCn1nccc1C1=C[C@H]([NH3+])CNC1 675076674 537794018 /nfs/dbraw/zinc/79/40/18/537794018.db2.gz FTVHYRKVNOUIKL-VIFPVBQESA-N 2 0 192.266 0.217 10 0 ACAERP c1nn2c(c1[C@@H]1CC[NH2+]C1)C[NH2+]CC2 675077183 537794129 /nfs/dbraw/zinc/79/41/29/537794129.db2.gz ZTTFEQAZLQFNBO-MRVPVSSYSA-N 2 0 192.266 0.063 10 0 ACAERP CC(C)[NH2+]C[C@H]1C[NH2+]CC12CC2 675076137 537794304 /nfs/dbraw/zinc/79/43/04/537794304.db2.gz ZMBFOCWDAFFSNE-SECBINFHSA-N 2 0 168.284 0.984 10 0 ACAERP [NH3+][C@@H]1C=C(c2cccnc2)CNC1 675076298 537794501 /nfs/dbraw/zinc/79/45/01/537794501.db2.gz APVREWFALASBSF-SNVBAGLBSA-N 2 0 175.235 0.396 10 0 ACAERP CCn1nccc1C1=C[C@@H]([NH3+])CNC1 675076673 537794998 /nfs/dbraw/zinc/79/49/98/537794998.db2.gz FTVHYRKVNOUIKL-SECBINFHSA-N 2 0 192.266 0.217 10 0 ACAERP [NH3+]C1(c2cnn3c2C[NH2+]CC3)CCC1 675076590 537795033 /nfs/dbraw/zinc/79/50/33/537795033.db2.gz PGOJHFXJNQIORT-UHFFFAOYSA-N 2 0 192.266 0.324 10 0 ACAERP COCCC[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075330 537795315 /nfs/dbraw/zinc/79/53/15/537795315.db2.gz MHQVZVJQIXUNTG-SNVBAGLBSA-N 2 0 198.310 0.612 10 0 ACAERP CC(C)[NH2+]Cc1cc(C2C[NH2+]C2)n[nH]1 675076833 537795513 /nfs/dbraw/zinc/79/55/13/537795513.db2.gz RZDMFYNMNLAGBF-UHFFFAOYSA-N 2 0 194.282 0.595 10 0 ACAERP COCC[NH2+]C[C@H]1C[NH2+]CC12CC2 675075882 537795619 /nfs/dbraw/zinc/79/56/19/537795619.db2.gz WGIBYYKQOPGGNN-VIFPVBQESA-N 2 0 184.283 0.222 10 0 ACAERP COCC[NH2+]C[C@@H]1C[NH2+]CC12CC2 675075880 537795812 /nfs/dbraw/zinc/79/58/12/537795812.db2.gz WGIBYYKQOPGGNN-SECBINFHSA-N 2 0 184.283 0.222 10 0 ACAERP [NH3+][C@H]1C=C(c2cccnc2)CNC1 675076297 537795825 /nfs/dbraw/zinc/79/58/25/537795825.db2.gz APVREWFALASBSF-JTQLQIEISA-N 2 0 175.235 0.396 10 0 ACAERP [NH3+]CCC[N@H+](CCO)C1CCCC1 34960494 537796822 /nfs/dbraw/zinc/79/68/22/537796822.db2.gz DYXVXVBHMLYVIE-UHFFFAOYSA-N 2 0 186.299 0.572 10 0 ACAERP Cc1cnn(C)c1C1=C[C@@H]([NH3+])CNC1 675078410 537801409 /nfs/dbraw/zinc/80/14/09/537801409.db2.gz YDIXTVYZWFZGDI-SECBINFHSA-N 2 0 192.266 0.042 10 0 ACAERP N[C@H]1C=C(Cc2cscn2)C[NH2+]C1 675078334 537801619 /nfs/dbraw/zinc/80/16/19/537801619.db2.gz OTCNOKATYYNMOH-QMMMGPOBSA-N 2 0 195.291 0.543 10 0 ACAERP N[C@@H]1C=C(Cc2cscn2)C[NH2+]C1 675078283 537801692 /nfs/dbraw/zinc/80/16/92/537801692.db2.gz OTCNOKATYYNMOH-MRVPVSSYSA-N 2 0 195.291 0.543 10 0 ACAERP Cc1nn(C)cc1C1=C[C@H]([NH3+])CNC1 675078339 537802035 /nfs/dbraw/zinc/80/20/35/537802035.db2.gz OUESPIWBXPGVIT-VIFPVBQESA-N 2 0 192.266 0.042 10 0 ACAERP Cc1cnn(C)c1C1=C[C@H]([NH3+])CNC1 675078412 537802084 /nfs/dbraw/zinc/80/20/84/537802084.db2.gz YDIXTVYZWFZGDI-VIFPVBQESA-N 2 0 192.266 0.042 10 0 ACAERP Cc1ccncc1C1=C[C@H]([NH3+])CNC1 675078368 537802186 /nfs/dbraw/zinc/80/21/86/537802186.db2.gz PBLADBFBMDEPOF-JTQLQIEISA-N 2 0 189.262 0.704 10 0 ACAERP Cc1nn(C)cc1C1=C[C@@H]([NH3+])CNC1 675078335 537802318 /nfs/dbraw/zinc/80/23/18/537802318.db2.gz OUESPIWBXPGVIT-SECBINFHSA-N 2 0 192.266 0.042 10 0 ACAERP Cc1ccncc1C1=C[C@@H]([NH3+])CNC1 675078369 537802378 /nfs/dbraw/zinc/80/23/78/537802378.db2.gz PBLADBFBMDEPOF-SNVBAGLBSA-N 2 0 189.262 0.704 10 0 ACAERP CC(C)[NH2+][C@H]1C[C@H]([NH3+])C12CCOCC2 675079818 537803037 /nfs/dbraw/zinc/80/30/37/537803037.db2.gz JEHFCDBXMQODBO-UWVGGRQHSA-N 2 0 198.310 0.881 10 0 ACAERP CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 675079470 537804491 /nfs/dbraw/zinc/80/44/91/537804491.db2.gz GHFFBXJHTQMXIK-ZJUUUORDSA-N 2 0 198.310 0.882 10 0 ACAERP CC(C)[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 675079823 537804532 /nfs/dbraw/zinc/80/45/32/537804532.db2.gz JEHFCDBXMQODBO-ZJUUUORDSA-N 2 0 198.310 0.881 10 0 ACAERP CC(C)[NH2+][C@@H]1C[C@H]([NH3+])C12CCOCC2 675079820 537804674 /nfs/dbraw/zinc/80/46/74/537804674.db2.gz JEHFCDBXMQODBO-VHSXEESVSA-N 2 0 198.310 0.881 10 0 ACAERP CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCOCC2 675079466 537804852 /nfs/dbraw/zinc/80/48/52/537804852.db2.gz GHFFBXJHTQMXIK-UWVGGRQHSA-N 2 0 198.310 0.882 10 0 ACAERP CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCOCC2 675079465 537805074 /nfs/dbraw/zinc/80/50/74/537805074.db2.gz GHFFBXJHTQMXIK-NXEZZACHSA-N 2 0 198.310 0.882 10 0 ACAERP CC(C)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCOCC2 675079811 537805400 /nfs/dbraw/zinc/80/54/00/537805400.db2.gz JEHFCDBXMQODBO-NXEZZACHSA-N 2 0 198.310 0.881 10 0 ACAERP CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCOCC2 675079468 537805540 /nfs/dbraw/zinc/80/55/40/537805540.db2.gz GHFFBXJHTQMXIK-VHSXEESVSA-N 2 0 198.310 0.882 10 0 ACAERP C[NH2+][C@@H]1C[C@H]([NH3+])C12CCOCC2 675080972 537806982 /nfs/dbraw/zinc/80/69/82/537806982.db2.gz YRGKGGNURMWYSV-JGVFFNPUSA-N 2 0 170.256 0.102 10 0 ACAERP C[NH+](C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 675080937 537807048 /nfs/dbraw/zinc/80/70/48/537807048.db2.gz YIELJSGZYSDQLR-BDAKNGLRSA-N 2 0 184.283 0.444 10 0 ACAERP [NH3+][C@H]1C[C@@H]([NH2+]C2CC2)C12CCOCC2 675080615 537807156 /nfs/dbraw/zinc/80/71/56/537807156.db2.gz SYYYBHPRPNKOSW-VHSXEESVSA-N 2 0 196.294 0.635 10 0 ACAERP [NH3+][C@H]1C[C@@H]([NH+]2CCC2)C12CCOCC2 675080539 537807361 /nfs/dbraw/zinc/80/73/61/537807361.db2.gz SMBWBSKQBRLIOX-VHSXEESVSA-N 2 0 196.294 0.589 10 0 ACAERP CCC[NH+]1CCC2(CC1)OCC[C@H]2[NH3+] 675080367 537807445 /nfs/dbraw/zinc/80/74/45/537807445.db2.gz OQODOYWSTZWHMV-SNVBAGLBSA-N 2 0 198.310 0.979 10 0 ACAERP [NH3+][C@H]1C[C@H]([NH2+]C2CC2)C12CCOCC2 675080613 537807627 /nfs/dbraw/zinc/80/76/27/537807627.db2.gz SYYYBHPRPNKOSW-UWVGGRQHSA-N 2 0 196.294 0.635 10 0 ACAERP C[NH+](C)[C@H]1C[C@H]([NH3+])C12CCOCC2 675080946 537807746 /nfs/dbraw/zinc/80/77/46/537807746.db2.gz YIELJSGZYSDQLR-IUCAKERBSA-N 2 0 184.283 0.444 10 0 ACAERP [NH3+][C@@H]1C[C@@H]([NH+]2CCC2)C12CCOCC2 675080534 537807768 /nfs/dbraw/zinc/80/77/68/537807768.db2.gz SMBWBSKQBRLIOX-NXEZZACHSA-N 2 0 196.294 0.589 10 0 ACAERP CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCOCC2 675080486 537807917 /nfs/dbraw/zinc/80/79/17/537807917.db2.gz RRHQVCMZPZUJMP-DTWKUNHWSA-N 2 0 184.283 0.492 10 0 ACAERP C[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 675080973 537808239 /nfs/dbraw/zinc/80/82/39/537808239.db2.gz YRGKGGNURMWYSV-SFYZADRCSA-N 2 0 170.256 0.102 10 0 ACAERP CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCOCC2 675080485 537808403 /nfs/dbraw/zinc/80/84/03/537808403.db2.gz RRHQVCMZPZUJMP-BDAKNGLRSA-N 2 0 184.283 0.492 10 0 ACAERP C[NH2+][C@H]1C[C@H]([NH3+])C12CCOCC2 675080978 537808525 /nfs/dbraw/zinc/80/85/25/537808525.db2.gz YRGKGGNURMWYSV-YUMQZZPRSA-N 2 0 170.256 0.102 10 0 ACAERP [NH3+][C@@H]1C[C@H]([NH2+]C2CC2)C12CCOCC2 675080618 537808576 /nfs/dbraw/zinc/80/85/76/537808576.db2.gz SYYYBHPRPNKOSW-ZJUUUORDSA-N 2 0 196.294 0.635 10 0 ACAERP C[NH+](C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 675080943 537808619 /nfs/dbraw/zinc/80/86/19/537808619.db2.gz YIELJSGZYSDQLR-DTWKUNHWSA-N 2 0 184.283 0.444 10 0 ACAERP CCC[NH+]1CCC2(CC1)OCC[C@@H]2[NH3+] 675080366 537808760 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537876515 /nfs/dbraw/zinc/87/65/15/537876515.db2.gz YSEJMZLEPRMLAW-JTQLQIEISA-N 2 0 192.262 0.798 10 0 ACAERP [NH3+]CC[C@@H]1Cc2ccc(C[NH3+])cc2O1 685965551 537876614 /nfs/dbraw/zinc/87/66/14/537876614.db2.gz JOVICZRAYXHIRA-SNVBAGLBSA-N 2 0 192.262 0.798 10 0 ACAERP [NH3+]CC[C@@H]1Cc2cc(C[NH3+])ccc2O1 685965914 537877372 /nfs/dbraw/zinc/87/73/72/537877372.db2.gz YSEJMZLEPRMLAW-SNVBAGLBSA-N 2 0 192.262 0.798 10 0 ACAERP C[C@@H]([NH3+])CN(C)CCC[NH+](C)C 82541271 537885780 /nfs/dbraw/zinc/88/57/80/537885780.db2.gz NJSXCYXLIKUBNX-SECBINFHSA-N 2 0 173.304 0.217 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]2)C1 725241426 537887604 /nfs/dbraw/zinc/88/76/04/537887604.db2.gz FJYJPJIJVLQNRQ-IUCAKERBSA-N 2 0 154.257 0.690 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]2)C1 725241425 537887812 /nfs/dbraw/zinc/88/78/12/537887812.db2.gz FJYJPJIJVLQNRQ-DTWKUNHWSA-N 2 0 154.257 0.690 10 0 ACAERP C[NH+]1CCC([C@@H]2CC[NH2+]2)CC1 725241303 537888426 /nfs/dbraw/zinc/88/84/26/537888426.db2.gz 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538442630 /nfs/dbraw/zinc/44/26/30/538442630.db2.gz IPPHWQGHUBTQHZ-VXNVDRBHSA-N 2 0 180.255 0.122 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1n1cnc(C[NH3+])c1 669374516 538442750 /nfs/dbraw/zinc/44/27/50/538442750.db2.gz IPPHWQGHUBTQHZ-APPZFPTMSA-N 2 0 180.255 0.122 10 0 ACAERP C[NH+](C)CC[C@](C)(O)C(C)(C)C[NH3+] 669376899 538442862 /nfs/dbraw/zinc/44/28/62/538442862.db2.gz AUELSFVQLJHZTR-JTQLQIEISA-N 2 0 188.315 0.674 10 0 ACAERP CC[C@@H](C[NH3+])[C@@](C)(O)CC[NH+](C)C 669376890 538442874 /nfs/dbraw/zinc/44/28/74/538442874.db2.gz ARBPBNQXHSGTAF-UWVGGRQHSA-N 2 0 188.315 0.674 10 0 ACAERP CC(C)(C[NH3+])[C@@]1(O)CCC[C@@H]([NH3+])C1 669377520 538443894 /nfs/dbraw/zinc/44/38/94/538443894.db2.gz SABMSEWRBYZWOU-PSASIEDQSA-N 2 0 186.299 0.604 10 0 ACAERP CC[C@H](C[NH3+])[C@]1(O)CC[NH2+][C@@H](C)C1 669376874 538442917 /nfs/dbraw/zinc/44/29/17/538442917.db2.gz ABSOUFKBZTWODZ-AEJSXWLSSA-N 2 0 186.299 0.474 10 0 ACAERP CC[C@H](C[NH3+])[C@@](C)(O)CC[NH+](C)C 669376892 538442930 /nfs/dbraw/zinc/44/29/30/538442930.db2.gz ARBPBNQXHSGTAF-ZJUUUORDSA-N 2 0 188.315 0.674 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CC[NH2+][C@@H](C)C1 669376876 538442981 /nfs/dbraw/zinc/44/29/81/538442981.db2.gz ABSOUFKBZTWODZ-IVZWLZJFSA-N 2 0 186.299 0.474 10 0 ACAERP CC[C@H](C[NH3+])[C@](C)(O)CC[NH+](C)C 669376889 538443069 /nfs/dbraw/zinc/44/30/69/538443069.db2.gz ARBPBNQXHSGTAF-NXEZZACHSA-N 2 0 188.315 0.674 10 0 ACAERP CC[C@@](O)(C1C[NH2+]C1)C1(C[NH3+])CC1 669376916 538443072 /nfs/dbraw/zinc/44/30/72/538443072.db2.gz BBRPJLRZWNQVCK-SNVBAGLBSA-N 2 0 184.283 0.086 10 0 ACAERP CC[C@H](C[NH3+])[C@]1(O)CC[NH2+][C@H](C)C1 669376875 538443131 /nfs/dbraw/zinc/44/31/31/538443131.db2.gz ABSOUFKBZTWODZ-BBBLOLIVSA-N 2 0 186.299 0.474 10 0 ACAERP C[NH+](C)CC[C@@](C)(O)C(C)(C)C[NH3+] 669376900 538443121 /nfs/dbraw/zinc/44/31/21/538443121.db2.gz AUELSFVQLJHZTR-SNVBAGLBSA-N 2 0 188.315 0.674 10 0 ACAERP CC[C@](O)(C1C[NH2+]C1)C1(C[NH3+])CC1 669376915 538443158 /nfs/dbraw/zinc/44/31/58/538443158.db2.gz BBRPJLRZWNQVCK-JTQLQIEISA-N 2 0 184.283 0.086 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CC[NH2+][C@H](C)C1 669376877 538443214 /nfs/dbraw/zinc/44/32/14/538443214.db2.gz ABSOUFKBZTWODZ-OPRDCNLKSA-N 2 0 186.299 0.474 10 0 ACAERP CC[C@@H](C[NH3+])[C@](C)(O)CC[NH+](C)C 669376891 538443225 /nfs/dbraw/zinc/44/32/25/538443225.db2.gz ARBPBNQXHSGTAF-VHSXEESVSA-N 2 0 188.315 0.674 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CCC[C@H]([NH3+])C1 669377446 538444071 /nfs/dbraw/zinc/44/40/71/538444071.db2.gz QASLNAATGNFGHC-KXUCPTDWSA-N 2 0 186.299 0.604 10 0 ACAERP C[NH+](C)C1CCC(O)(CC[NH3+])CC1 669377355 538443373 /nfs/dbraw/zinc/44/33/73/538443373.db2.gz NKUZEECWWBMRSD-UHFFFAOYSA-N 2 0 186.299 0.571 10 0 ACAERP C[NH+](C)CC[C@@](C)(O)C1(C[NH3+])CC1 669377206 538443400 /nfs/dbraw/zinc/44/34/00/538443400.db2.gz JKEAJSWJTAKOQN-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP CC[C@H](C[NH3+])[C@@](O)(CC)C1C[NH2+]C1 669377201 538443407 /nfs/dbraw/zinc/44/34/07/538443407.db2.gz JDKLMABBVZCBDD-SCZZXKLOSA-N 2 0 186.299 0.332 10 0 ACAERP CC[C@@](O)(C1C[NH2+]C1)C(C)(C)C[NH3+] 669377369 538443434 /nfs/dbraw/zinc/44/34/34/538443434.db2.gz OAESGDCFGXAFGV-SNVBAGLBSA-N 2 0 186.299 0.332 10 0 ACAERP C[C@H](C[NH3+])[C@@](C)(O)CC[NH+](C)C 669377379 538443437 /nfs/dbraw/zinc/44/34/37/538443437.db2.gz OGWGCOOBOAWVJI-BDAKNGLRSA-N 2 0 174.288 0.284 10 0 ACAERP CC(C)(C[NH3+])C1(O)CCC([NH3+])CC1 669376923 538443466 /nfs/dbraw/zinc/44/34/66/538443466.db2.gz BPVKEKKNHHZCOE-UHFFFAOYSA-N 2 0 186.299 0.604 10 0 ACAERP C[C@H](C[NH3+])[C@@]1(O)CCC[C@H](C[NH3+])C1 669377390 538443479 /nfs/dbraw/zinc/44/34/79/538443479.db2.gz OOYDZRHWXUHXDQ-KXUCPTDWSA-N 2 0 186.299 0.461 10 0 ACAERP C[NH+](C)CC[C@](C)(O)C1(C[NH3+])CC1 669377207 538443488 /nfs/dbraw/zinc/44/34/88/538443488.db2.gz JKEAJSWJTAKOQN-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP [NH3+]CC1(C2(O)CCC([NH3+])CC2)CC1 669377243 538443577 /nfs/dbraw/zinc/44/35/77/538443577.db2.gz LAYAICCULWZYLX-UHFFFAOYSA-N 2 0 184.283 0.358 10 0 ACAERP CC[C@@H](C[NH3+])[C@@](O)(CC)C1C[NH2+]C1 669377203 538443604 /nfs/dbraw/zinc/44/36/04/538443604.db2.gz JDKLMABBVZCBDD-WPRPVWTQSA-N 2 0 186.299 0.332 10 0 ACAERP C[C@H](C[NH3+])[C@](C)(O)CC[NH+](C)C 669377382 538443605 /nfs/dbraw/zinc/44/36/05/538443605.db2.gz OGWGCOOBOAWVJI-RKDXNWHRSA-N 2 0 174.288 0.284 10 0 ACAERP C[C@H](C[NH3+])[C@]1(O)CCC[C@@H](C[NH3+])C1 669377389 538443606 /nfs/dbraw/zinc/44/36/06/538443606.db2.gz OOYDZRHWXUHXDQ-BBBLOLIVSA-N 2 0 186.299 0.461 10 0 ACAERP C[C@H](C[NH3+])[C@@]1(O)CCC[C@@H](C[NH3+])C1 669377391 538443607 /nfs/dbraw/zinc/44/36/07/538443607.db2.gz OOYDZRHWXUHXDQ-OPRDCNLKSA-N 2 0 186.299 0.461 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CC[C@@H](C[NH3+])C1 669377786 538444083 /nfs/dbraw/zinc/44/40/83/538444083.db2.gz WJODLRRSMQQOFD-OPRDCNLKSA-N 2 0 186.299 0.461 10 0 ACAERP C[C@@H](C[NH3+])[C@](C)(O)CC[NH+](C)C 669377380 538443615 /nfs/dbraw/zinc/44/36/15/538443615.db2.gz OGWGCOOBOAWVJI-DTWKUNHWSA-N 2 0 174.288 0.284 10 0 ACAERP C[C@H](C[NH3+])[C@]1(O)CCC[C@H](C[NH3+])C1 669377392 538443616 /nfs/dbraw/zinc/44/36/16/538443616.db2.gz OOYDZRHWXUHXDQ-UTLUCORTSA-N 2 0 186.299 0.461 10 0 ACAERP CC[C@](O)(C1C[NH2+]C1)C(C)(C)C[NH3+] 669377368 538443657 /nfs/dbraw/zinc/44/36/57/538443657.db2.gz OAESGDCFGXAFGV-JTQLQIEISA-N 2 0 186.299 0.332 10 0 ACAERP [NH3+]CC1([C@@]2(O)CCC[C@@H]([NH3+])C2)CC1 669377008 538443663 /nfs/dbraw/zinc/44/36/63/538443663.db2.gz DKOOKTRWYMYPNA-PSASIEDQSA-N 2 0 184.283 0.358 10 0 ACAERP CC(C)(C[NH3+])[C@@]1(O)CCC[C@H]([NH3+])C1 669377522 538444089 /nfs/dbraw/zinc/44/40/89/538444089.db2.gz SABMSEWRBYZWOU-WCBMZHEXSA-N 2 0 186.299 0.604 10 0 ACAERP C[NH+](C)CC[C@@](C)(O)CC[NH3+] 669376961 538443679 /nfs/dbraw/zinc/44/36/79/538443679.db2.gz CLZHJWXWVQGHKI-QMMMGPOBSA-N 2 0 160.261 0.038 10 0 ACAERP [NH3+]CC1([C@]2(O)CCC[C@H]([NH3+])C2)CC1 669377011 538443726 /nfs/dbraw/zinc/44/37/26/538443726.db2.gz DKOOKTRWYMYPNA-WPRPVWTQSA-N 2 0 184.283 0.358 10 0 ACAERP [NH3+]CC1([C@]2(O)CCC[C@@H]([NH3+])C2)CC1 669377009 538443733 /nfs/dbraw/zinc/44/37/33/538443733.db2.gz DKOOKTRWYMYPNA-SCZZXKLOSA-N 2 0 184.283 0.358 10 0 ACAERP C[NH+](C)CC[C@](C)(O)CC[NH3+] 669376960 538443735 /nfs/dbraw/zinc/44/37/35/538443735.db2.gz CLZHJWXWVQGHKI-MRVPVSSYSA-N 2 0 160.261 0.038 10 0 ACAERP C[C@@H](C[NH3+])[C@@](C)(O)CC[NH+](C)C 669377381 538443737 /nfs/dbraw/zinc/44/37/37/538443737.db2.gz OGWGCOOBOAWVJI-IUCAKERBSA-N 2 0 174.288 0.284 10 0 ACAERP CC[C@H](C[NH3+])[C@](O)(CC)C1C[NH2+]C1 669377200 538443763 /nfs/dbraw/zinc/44/37/63/538443763.db2.gz JDKLMABBVZCBDD-PSASIEDQSA-N 2 0 186.299 0.332 10 0 ACAERP [NH3+]CC1([C@@]2(O)CCC[C@H]([NH3+])C2)CC1 669377010 538443771 /nfs/dbraw/zinc/44/37/71/538443771.db2.gz DKOOKTRWYMYPNA-WCBMZHEXSA-N 2 0 184.283 0.358 10 0 ACAERP CC[C@@H](C[NH3+])[C@](O)(CC)C1C[NH2+]C1 669377202 538443772 /nfs/dbraw/zinc/44/37/72/538443772.db2.gz JDKLMABBVZCBDD-WCBMZHEXSA-N 2 0 186.299 0.332 10 0 ACAERP CC(C)(C[NH3+])[C@]1(O)CCC[C@H]([NH3+])C1 669377523 538443803 /nfs/dbraw/zinc/44/38/03/538443803.db2.gz SABMSEWRBYZWOU-WPRPVWTQSA-N 2 0 186.299 0.604 10 0 ACAERP CC1(C)C[C@@]1(C[NH3+])[C@@](C)(O)C[NH3+] 669377712 538443832 /nfs/dbraw/zinc/44/38/32/538443832.db2.gz CLJSGGAVSOJUOC-IUCAKERBSA-N 2 0 172.272 0.071 10 0 ACAERP CCC[C@@H](C[NH3+])[C@@](C)(O)C1C[NH2+]C1 669377676 538443838 /nfs/dbraw/zinc/44/38/38/538443838.db2.gz AMZVUZDENYSYMM-WCBMZHEXSA-N 2 0 186.299 0.332 10 0 ACAERP CC[C@H](C[NH3+])[C@]1(O)CCC[C@@H]([NH3+])C1 669377445 538443846 /nfs/dbraw/zinc/44/38/46/538443846.db2.gz QASLNAATGNFGHC-BBBLOLIVSA-N 2 0 186.299 0.604 10 0 ACAERP [NH3+]CC[C@]1(O)CCC[C@@H](C[NH3+])C1 669377620 538444109 /nfs/dbraw/zinc/44/41/09/538444109.db2.gz VCLISUNBPZOFLA-RKDXNWHRSA-N 2 0 172.272 0.215 10 0 ACAERP CC[C@H](C[NH3+])[C@]1(O)CCC[C@H]([NH3+])C1 669377448 538443852 /nfs/dbraw/zinc/44/38/52/538443852.db2.gz QASLNAATGNFGHC-UTLUCORTSA-N 2 0 186.299 0.604 10 0 ACAERP C[C@H](C[NH3+])[C@@]1(O)CC[C@H](C[NH3+])C1 669377669 538443921 /nfs/dbraw/zinc/44/39/21/538443921.db2.gz WEOFSKWDONUJFS-HRDYMLBCSA-N 2 0 172.272 0.071 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CC[C@H](C[NH3+])C1 669377785 538443926 /nfs/dbraw/zinc/44/39/26/538443926.db2.gz WJODLRRSMQQOFD-IVZWLZJFSA-N 2 0 186.299 0.461 10 0 ACAERP CC[C@H](C[NH3+])C1(O)CCC([NH3+])CC1 669377511 538443934 /nfs/dbraw/zinc/44/39/34/538443934.db2.gz RTNBEGLAPBUMJO-XNWIYYODSA-N 2 0 186.299 0.604 10 0 ACAERP CC1(C)C[C@@]1(C[NH3+])[C@](C)(O)C[NH3+] 669377710 538443939 /nfs/dbraw/zinc/44/39/39/538443939.db2.gz CLJSGGAVSOJUOC-BDAKNGLRSA-N 2 0 172.272 0.071 10 0 ACAERP CC[C@H](C[NH3+])[C@]1(O)CC[C@@H](C[NH3+])C1 669377784 538443946 /nfs/dbraw/zinc/44/39/46/538443946.db2.gz WJODLRRSMQQOFD-BBBLOLIVSA-N 2 0 186.299 0.461 10 0 ACAERP C[C@](O)(C[NH3+])C1(C[NH3+])CCCC1 669377709 538443954 /nfs/dbraw/zinc/44/39/54/538443954.db2.gz CLGOXPBDYRJKSI-QMMMGPOBSA-N 2 0 172.272 0.215 10 0 ACAERP CC[C@@H](C[NH3+])C1(O)CCC([NH3+])CC1 669377510 538443960 /nfs/dbraw/zinc/44/39/60/538443960.db2.gz RTNBEGLAPBUMJO-IDKOKCKLSA-N 2 0 186.299 0.604 10 0 ACAERP C[C@@](O)(C[NH3+])C1(C[NH3+])CCCC1 669377708 538443982 /nfs/dbraw/zinc/44/39/82/538443982.db2.gz CLGOXPBDYRJKSI-MRVPVSSYSA-N 2 0 172.272 0.215 10 0 ACAERP CCC[C@@H](C[NH3+])[C@](C)(O)C1C[NH2+]C1 669377677 538444011 /nfs/dbraw/zinc/44/40/11/538444011.db2.gz AMZVUZDENYSYMM-WPRPVWTQSA-N 2 0 186.299 0.332 10 0 ACAERP CC1(C)C[C@]1(C[NH3+])[C@](C)(O)C[NH3+] 669377713 538444013 /nfs/dbraw/zinc/44/40/13/538444013.db2.gz CLJSGGAVSOJUOC-RKDXNWHRSA-N 2 0 172.272 0.071 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CCC[C@@H]([NH3+])C1 669377447 538444029 /nfs/dbraw/zinc/44/40/29/538444029.db2.gz QASLNAATGNFGHC-OPRDCNLKSA-N 2 0 186.299 0.604 10 0 ACAERP C[C@H](C[NH3+])[C@@]1(O)CC[C@@H](C[NH3+])C1 669377670 538444063 /nfs/dbraw/zinc/44/40/63/538444063.db2.gz WEOFSKWDONUJFS-IWSPIJDZSA-N 2 0 172.272 0.071 10 0 ACAERP C[C@H](C[NH3+])[C@]1(O)CC[C@@H](C[NH3+])C1 669377668 538444042 /nfs/dbraw/zinc/44/40/42/538444042.db2.gz WEOFSKWDONUJFS-HLTSFMKQSA-N 2 0 172.272 0.071 10 0 ACAERP [NH3+]CC[C@@]1(O)CCC[C@@H](C[NH3+])C1 669377617 538444056 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259365542 573199148 /nfs/dbraw/zinc/19/91/48/573199148.db2.gz MNKXUKZVHOQIEY-AGVGLQIMSA-N 3 0 197.326 0.393 10 0 ACAERP CC(=O)C[C@@H](C)[NH+]1CCC([NH3+])CC1 82792530 573199223 /nfs/dbraw/zinc/19/92/23/573199223.db2.gz KIZFICOVQCGIGG-MRVPVSSYSA-N 2 0 184.283 0.777 10 0 ACAERP C[NH2+]C[C@@H](OC)[C@H]1CCC[NH2+]C1 257966631 573199344 /nfs/dbraw/zinc/19/93/44/573199344.db2.gz YCYIAYFAVAGGCS-DTWKUNHWSA-N 2 0 172.272 0.220 10 0 ACAERP CC(C)(C[NH3+])[C@]1(O)CC[N@@H+](C2CC2)C1 85901472 573202315 /nfs/dbraw/zinc/20/23/15/573202315.db2.gz QCEMCIWCJRQKRV-NSHDSACASA-N 2 0 198.310 0.571 10 0 ACAERP CC[C@@H](C[NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 85902184 573202412 /nfs/dbraw/zinc/20/24/12/573202412.db2.gz NEHDTFOCGNVNOY-GKDVJIACSA-N 2 0 198.310 0.617 10 0 ACAERP CN1CC[N@H+](C)C[C@@]12CCC[NH2+]CC2 238310987 573202454 /nfs/dbraw/zinc/20/24/54/573202454.db2.gz GULOZQMQAYYKAH-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP CC[C@H](C[NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 85902186 573202515 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0 ACAERP C[C@@H](CN1CCC[C@H]1C[NH3+])C[NH+](C)C 308329439 573257228 /nfs/dbraw/zinc/25/72/28/573257228.db2.gz AAURZCGUEMSZRX-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP CC(C)C[N@H+](C)CCC[C@@H](O)C[NH3+] 308329078 573257273 /nfs/dbraw/zinc/25/72/73/573257273.db2.gz JGQYSFJBFFEGDC-SNVBAGLBSA-N 2 0 188.315 0.674 10 0 ACAERP C[C@]([NH3+])(CO)CC[NH+]1CCCCC1 82882522 573257292 /nfs/dbraw/zinc/25/72/92/573257292.db2.gz SGCJWHGSLGTNDV-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP C[C@H]([NH3+])Cc1coc([C@@H]2CC[NH2+]C2)n1 258260645 573257696 /nfs/dbraw/zinc/25/76/96/573257696.db2.gz XIKRISAAELGCSD-JGVFFNPUSA-N 2 0 195.266 0.641 10 0 ACAERP CC(C)C[N@H+](C)CCC[C@H](O)C[NH3+] 308329077 573257759 /nfs/dbraw/zinc/25/77/59/573257759.db2.gz JGQYSFJBFFEGDC-JTQLQIEISA-N 2 0 188.315 0.674 10 0 ACAERP C[NH2+]C/C=C\C[C@H]1CCC[NH2+]1 258262346 573257801 /nfs/dbraw/zinc/25/78/01/573257801.db2.gz RIBQCYPWSJBMLO-XADBCAIWSA-N 2 0 154.257 0.904 10 0 ACAERP COCC(C)(C)N(C)[C@H](C)C(N)=[NH2+] 308329302 573257827 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197.286 0.717 10 0 ACAERP OC[C@@H]1C[C@H](C[C@@H]2CCC[NH2+]C2)C[NH2+]1 258264670 573259864 /nfs/dbraw/zinc/25/98/64/573259864.db2.gz RNHDTOLKRVUFSV-DCAQKATOSA-N 2 0 198.310 0.347 10 0 ACAERP C[C@H](CO)[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686243956 573259880 /nfs/dbraw/zinc/25/98/80/573259880.db2.gz WZOVOPGDNDJGPF-IWSPIJDZSA-N 2 0 186.299 0.201 10 0 ACAERP C[NH2+][C@H](CO)CC[N@@H+]1CC[C@H](C)C1 82887324 573259903 /nfs/dbraw/zinc/25/99/03/573259903.db2.gz JGVCSKDAXGRHDL-UWVGGRQHSA-N 2 0 186.299 0.299 10 0 ACAERP CCC[NH2+][C@](C)(CO)CC[NH+](C)C 82885215 573259963 /nfs/dbraw/zinc/25/99/63/573259963.db2.gz HJPRSRBXHSODNW-JTQLQIEISA-N 2 0 188.315 0.689 10 0 ACAERP C[C@@](F)(CC[NH3+])[C@H]1CC[NH2+]C1 258613596 573261014 /nfs/dbraw/zinc/26/10/14/573261014.db2.gz WASQLHVBCDWBIN-JGVFFNPUSA-N 2 0 160.236 0.673 10 0 ACAERP C[C@H]1CN(CC[NH+](C)C)CCCC[NH2+]1 259397181 573261087 /nfs/dbraw/zinc/26/10/87/573261087.db2.gz MAIISCDLFLILSF-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP [NH3+][C@@H](C[NH2+]C1CCCC1)[C@@H]1CCOC1 257983406 573261095 /nfs/dbraw/zinc/26/10/95/573261095.db2.gz CRSDYVUUOFFCTK-KOLCDFICSA-N 2 0 198.310 0.882 10 0 ACAERP CC[C@H](C[NH3+])[C@H]([NH3+])c1cc[nH]c1 259393989 573261134 /nfs/dbraw/zinc/26/11/34/573261134.db2.gz LNLIVIQNZRLFNC-APPZFPTMSA-N 2 0 167.256 0.999 10 0 ACAERP C[C@H]([NH3+])C[C@@H]([NH3+])c1ccc[nH]1 259397133 573261256 /nfs/dbraw/zinc/26/12/56/573261256.db2.gz NYMBETIQZWGNHK-NKWVEPMBSA-N 2 0 153.229 0.752 10 0 ACAERP CC[C@@H](C[NH3+])[C@@H]([NH3+])c1cc[nH]c1 259393996 573261291 /nfs/dbraw/zinc/26/12/91/573261291.db2.gz LNLIVIQNZRLFNC-IONNQARKSA-N 2 0 167.256 0.999 10 0 ACAERP C[C@H](CO)[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686243955 573261380 /nfs/dbraw/zinc/26/13/80/573261380.db2.gz WZOVOPGDNDJGPF-HRDYMLBCSA-N 2 0 186.299 0.201 10 0 ACAERP CCO[C@]1(C[NH3+])CCC[NH2+]C1 257984816 573261425 /nfs/dbraw/zinc/26/14/25/573261425.db2.gz BGTVTYMQBSNHRV-QMMMGPOBSA-N 2 0 158.245 0.104 10 0 ACAERP OC[C@@]1(C[C@@H]2CC[NH2+]C2)CCCC[NH2+]1 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188.271 0.030 10 0 ACAERP C[C@H](O)CCNC[C@H]1CCCC[NH2+]1 235543977 571978177 /nfs/dbraw/zinc/97/81/77/571978177.db2.gz IPEWNDRYGIHIRY-VHSXEESVSA-N 2 0 186.299 0.489 10 0 ACAERP CC(C)[C@@H](O)C[N@H+](C)C[C@H](C)C[NH3+] 300877839 571997548 /nfs/dbraw/zinc/99/75/48/571997548.db2.gz MEPVIIVVKZLDFI-ZJUUUORDSA-N 2 0 188.315 0.530 10 0 ACAERP C[NH2+]C[C@H](C)C[N@@H+]1CC[C@@](C)(O)C1 234388377 571997584 /nfs/dbraw/zinc/99/75/84/571997584.db2.gz AUWAIULKVPEYGG-VHSXEESVSA-N 2 0 186.299 0.299 10 0 ACAERP COCC[C@@H](C[NH3+])Nc1cc[nH+]cc1 300854363 571988551 /nfs/dbraw/zinc/98/85/51/571988551.db2.gz LKUAXVCGAIRQDA-JTQLQIEISA-N 2 0 195.266 0.857 10 0 ACAERP CO[C@H](C[NH2+]CC[C@@H](C)[NH3+])C1CC1 393443462 571989150 /nfs/dbraw/zinc/98/91/50/571989150.db2.gz PXUHMFXSSUTWQQ-PSASIEDQSA-N 2 0 186.299 0.738 10 0 ACAERP CNc1[nH+]ccn1C[C@H](C)[NH+](C)C 234494985 571989159 /nfs/dbraw/zinc/98/91/59/571989159.db2.gz DWIKDXRXZIDWPG-QMMMGPOBSA-N 2 0 182.271 0.875 10 0 ACAERP C1CC[C@H](O[C@@H]2CC[NH2+]C2)[NH2+]C1 687768947 571989190 /nfs/dbraw/zinc/98/91/90/571989190.db2.gz NJIQFOBQSVZNCW-BDAKNGLRSA-N 2 0 170.256 0.465 10 0 ACAERP C[NH+](C)CCNc1cccc(C[NH3+])n1 81595681 571989195 /nfs/dbraw/zinc/98/91/95/571989195.db2.gz CSVUZZCPCSXRRS-UHFFFAOYSA-N 2 0 194.282 0.514 10 0 ACAERP C[C@H](C[NH3+])C(C)(C)C[NH3+] 13743953 571991248 /nfs/dbraw/zinc/99/12/48/571991248.db2.gz WLGHZRSYOGQBFO-ZCFIWIBFSA-N 2 0 130.235 0.566 10 0 ACAERP C[C@@H](CC[NH3+])CC[NH2+]CCF 393449568 572002592 /nfs/dbraw/zinc/00/25/92/572002592.db2.gz KOCHKDGMPAVWDC-QMMMGPOBSA-N 2 0 162.252 0.921 10 0 ACAERP CC[C@@](C)(C[NH3+])C[N@H+](C)CCCO 300878786 572002605 /nfs/dbraw/zinc/00/26/05/572002605.db2.gz YUQRJQGCQLWGMH-JTQLQIEISA-N 2 0 188.315 0.676 10 0 ACAERP [NH3+][C@@H]1CCC[C@@H]1CC[NH+]1CCOCC1 86530825 573479124 /nfs/dbraw/zinc/47/91/24/573479124.db2.gz PUSUEAKXVRBJRU-GHMZBOCLSA-N 2 0 198.310 0.836 10 0 ACAERP CC[C@@H](C[C@H]1C[NH2+]CCN1C)[NH2+]C 259464861 573479137 /nfs/dbraw/zinc/47/91/37/573479137.db2.gz PUASSOAORDHTQS-UWVGGRQHSA-N 2 0 185.315 0.278 10 0 ACAERP CN(CCC[NH+](C)C)C[C@@H]([NH3+])C1CC1 68897855 572000631 /nfs/dbraw/zinc/00/06/31/572000631.db2.gz GFWDCUINLJMJTE-LLVKDONJSA-N 2 0 199.342 0.607 10 0 ACAERP [NH3+]CCC(F)(F)[C@H]1CCC[NH2+]C1 257819469 573481608 /nfs/dbraw/zinc/48/16/08/573481608.db2.gz FHACGGMADRKHCB-ZETCQYMHSA-N 2 0 178.226 0.970 10 0 ACAERP CCCC[N@H+](C)C[C@@H](O)C[NH2+]CC 34978514 572006686 /nfs/dbraw/zinc/00/66/86/572006686.db2.gz BXXBFXVIUFQROV-JTQLQIEISA-N 2 0 188.315 0.689 10 0 ACAERP CC(C)(C)C[C@H](CO)[NH2+]CCC[NH3+] 393529019 573481726 /nfs/dbraw/zinc/48/17/26/573481726.db2.gz VMBDZCKRENZHAX-SECBINFHSA-N 2 0 188.315 0.722 10 0 ACAERP CC[N@@H+]1CCN(C[C@H](C)[NH2+]C)[C@@H](C)C1 250204534 572014660 /nfs/dbraw/zinc/01/46/60/572014660.db2.gz BUGBOWZLGUAXJM-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP C[NH2+]CCC[N@H+](C)C1CC1 42409498 572014680 /nfs/dbraw/zinc/01/46/80/572014680.db2.gz OYHITMNXCJWVFF-UHFFFAOYSA-N 2 0 142.246 0.690 10 0 ACAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCO[C@H]1C1CC1 308597135 573485048 /nfs/dbraw/zinc/48/50/48/573485048.db2.gz ZJIBUPJLJBDTCQ-IEBDPFPHSA-N 2 0 198.310 0.738 10 0 ACAERP C[C@H](C[NH+](C)C)NC1CC[NH2+]CC1 130142639 573485067 /nfs/dbraw/zinc/48/50/67/573485067.db2.gz KJZNTYHYGRDZAW-SECBINFHSA-N 2 0 185.315 0.278 10 0 ACAERP C[NH+](C)CCOC1(C[NH3+])CCCC1 83401428 573485108 /nfs/dbraw/zinc/48/51/08/573485108.db2.gz ZGBULTZJKWDROJ-UHFFFAOYSA-N 2 0 186.299 0.836 10 0 ACAERP C1C[NH2+][C@H](NCC2CC[NH2+]CC2)C1 257818965 573485153 /nfs/dbraw/zinc/48/51/53/573485153.db2.gz FDWMMRSZCIQGIL-SNVBAGLBSA-N 2 0 183.299 0.285 10 0 ACAERP C[C@H]1CN(C)CC[N@@H+]1CCCC(N)=[NH2+] 235579225 572018417 /nfs/dbraw/zinc/01/84/17/572018417.db2.gz PURIQAOWWBYLHJ-VIFPVBQESA-N 2 0 198.314 0.338 10 0 ACAERP C[C@H](CC(N)=[NH2+])[N@H+](C)[C@H]1CCCOC1 300234142 572018548 /nfs/dbraw/zinc/01/85/48/572018548.db2.gz TVLBKNXXOVPTDH-BDAKNGLRSA-N 2 0 199.298 0.812 10 0 ACAERP CC[C@@]1([NH2+]C/C=C/C[NH3+])CCOC1 393457586 572018554 /nfs/dbraw/zinc/01/85/54/572018554.db2.gz CVJUFXKICROCFN-HMDXOVGESA-N 2 0 184.283 0.660 10 0 ACAERP CC[C@@H](C[NH3+])CC[NH3+] 33605180 572024599 /nfs/dbraw/zinc/02/45/99/572024599.db2.gz XGJHPGPVESLKKD-ZCFIWIBFSA-N 2 0 116.208 0.320 10 0 ACAERP CN(C)[C@]1(C[NH3+])CCC[N@H+](C)CC1 83419350 573490518 /nfs/dbraw/zinc/49/05/18/573490518.db2.gz NLEMACKRHUYOIV-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP CN(C)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 83419352 573490579 /nfs/dbraw/zinc/49/05/79/573490579.db2.gz NLEMACKRHUYOIV-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 83418082 573490662 /nfs/dbraw/zinc/49/06/62/573490662.db2.gz LKYDABVOQGJXHL-ZJUUUORDSA-N 2 0 186.299 0.441 10 0 ACAERP [NH3+]Cc1ccnn1[C@H]1CCC[NH2+]C1 257820221 573490707 /nfs/dbraw/zinc/49/07/07/573490707.db2.gz FPEKCCATDWHPHF-VIFPVBQESA-N 2 0 180.255 0.266 10 0 ACAERP CC1(C)CC[N@@H+]1C[C@@H]1OCC[C@@H]1C[NH3+] 715298152 573492373 /nfs/dbraw/zinc/49/23/73/573492373.db2.gz ARPSONBDCYDTQV-ZJUUUORDSA-N 2 0 198.310 0.835 10 0 ACAERP CC[C@@H](O)CC[NH2+][C@H](C)C1C[NH2+]C1 686245502 573492436 /nfs/dbraw/zinc/49/24/36/573492436.db2.gz XDSUYBCWTYPKMT-PSASIEDQSA-N 2 0 186.299 0.345 10 0 ACAERP C[C@H](C[NH3+])CC[NH+]1CCOCC1 35822591 572036584 /nfs/dbraw/zinc/03/65/84/572036584.db2.gz BLVVOQIYYWCVTC-VIFPVBQESA-N 2 0 172.272 0.304 10 0 ACAERP C[NH2+][C@@H](CCOC)CN(C)C 687701807 572041439 /nfs/dbraw/zinc/04/14/39/572041439.db2.gz MPMWXQFHSOILPI-QMMMGPOBSA-N 2 0 160.261 0.173 10 0 ACAERP CC[C@H](C[NH3+])N1CC[NH+](C(C)C)CC1 36170826 572041469 /nfs/dbraw/zinc/04/14/69/572041469.db2.gz KIHJYWWBSPFUSP-LLVKDONJSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@H]1CN(CCC[NH+](C)C)C[C@@H]1[NH3+] 235593638 572042894 /nfs/dbraw/zinc/04/28/94/572042894.db2.gz PRKLNFJFZQDYRC-UWVGGRQHSA-N 2 0 185.315 0.217 10 0 ACAERP CC(C)n1nc(C[NH3+])c2c1C[NH2+]CC2 107299352 573492988 /nfs/dbraw/zinc/49/29/88/573492988.db2.gz KASVEMIBWJZWKN-UHFFFAOYSA-N 2 0 194.282 0.568 10 0 ACAERP C[C@@H]1C[NH2+][C@](C)([C@@H]2CC[NH2+]C2)OC1 258695939 573492996 /nfs/dbraw/zinc/49/29/96/573492996.db2.gz UKDQLFASBNCBIC-BBBLOLIVSA-N 2 0 184.283 0.568 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])C2CC[NH2+]CC2)C1 259472580 573493013 /nfs/dbraw/zinc/49/30/13/573493013.db2.gz RWHQZSRNCSQAIL-MNOVXSKESA-N 3 0 197.326 0.265 10 0 ACAERP CC[N@@H+]1CCC[C@@]([NH3+])(CO)CC1 83423892 573493065 /nfs/dbraw/zinc/49/30/65/573493065.db2.gz QUHVONXTXVVJKO-VIFPVBQESA-N 2 0 172.272 0.182 10 0 ACAERP CCC[C@@H](O)C[NH2+][C@H](C)C1C[NH2+]C1 686245339 573493085 /nfs/dbraw/zinc/49/30/85/573493085.db2.gz SMYYPDPWFKVIRM-PSASIEDQSA-N 2 0 186.299 0.345 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+]Cc1ccccn1 258684754 573493086 /nfs/dbraw/zinc/49/30/86/573493086.db2.gz IOTOIBCJOCXMQF-VIFPVBQESA-N 2 0 179.267 0.766 10 0 ACAERP CCC1=[NH+][C@@H]2CC[C@H](C[NH3+])C[C@H]2N1 258043882 573493095 /nfs/dbraw/zinc/49/30/95/573493095.db2.gz RDDBAPBHQSRWPY-DJLDLDEBSA-N 2 0 181.283 0.894 10 0 ACAERP CC[C@H](C)[NH2+]CC[C@@H]1C[NH2+]CCN1C 258759330 573493100 /nfs/dbraw/zinc/49/31/00/573493100.db2.gz XQBVKXBPEMXKTC-WDEREUQCSA-N 2 0 199.342 0.668 10 0 ACAERP C[C@@H]([NH3+])CN(C)CCCCO 82595047 572055129 /nfs/dbraw/zinc/05/51/29/572055129.db2.gz OHIIONUBIXVTKJ-MRVPVSSYSA-N 2 0 160.261 0.038 10 0 ACAERP CN(CC[NH+](C)C)CC(C)(C)C[NH3+] 82543551 572055169 /nfs/dbraw/zinc/05/51/69/572055169.db2.gz VSHCXIIHOUINKB-UHFFFAOYSA-N 2 0 187.331 0.465 10 0 ACAERP CCCNC(=[NH2+])N(C)CC[NH+](C)C 82542573 572055203 /nfs/dbraw/zinc/05/52/03/572055203.db2.gz SWBVWGGSHJBMNY-UHFFFAOYSA-N 2 0 186.303 0.414 10 0 ACAERP CCC[C@H](C[C@H]1C[N@H+](C)CCN1)[NH2+]C 259474937 573493523 /nfs/dbraw/zinc/49/35/23/573493523.db2.gz QIISTAODKVVUIG-MNOVXSKESA-N 2 0 199.342 0.668 10 0 ACAERP Cn1ccnc1N(CC[NH3+])C1CC1 82592743 572055682 /nfs/dbraw/zinc/05/56/82/572055682.db2.gz QYBVLELEUAKVAV-UHFFFAOYSA-N 2 0 180.255 0.348 10 0 ACAERP C[C@H](C(N)=O)N1CCCC[C@@H]1CC[NH3+] 82594389 572055693 /nfs/dbraw/zinc/05/56/93/572055693.db2.gz YPSWVANQSIRBMB-RKDXNWHRSA-N 2 0 199.298 0.064 10 0 ACAERP CN(CC[NH+](C)C)C[C@@]1(C)CC[NH2+]C1 82542609 572055700 /nfs/dbraw/zinc/05/57/00/572055700.db2.gz JACOWRKUBKOGLV-NSHDSACASA-N 2 0 199.342 0.479 10 0 ACAERP CN(CC[C@@H]1CCC[NH2+]1)CC[NH+](C)C 82542742 572055710 /nfs/dbraw/zinc/05/57/10/572055710.db2.gz UVHHRNDKSPCGCF-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC[C@H]([NH3+])C(C)(C)[NH3+] 34109926 572055736 /nfs/dbraw/zinc/05/57/36/572055736.db2.gz KMBLEIWOEVXHQI-YFKPBYRVSA-N 2 0 116.208 0.461 10 0 ACAERP CN(CC[NH+](C)C)C[C@](C)([NH3+])C1CC1 82542642 572055748 /nfs/dbraw/zinc/05/57/48/572055748.db2.gz SRTVYTQMBSMHIZ-NSHDSACASA-N 2 0 199.342 0.607 10 0 ACAERP CN(C)CC[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596806 572058487 /nfs/dbraw/zinc/05/84/87/572058487.db2.gz QJDUHEHFJDMFRZ-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CC[C@@H](CC[NH3+])[NH+]1CCN(C)CC1 36677442 572058520 /nfs/dbraw/zinc/05/85/20/572058520.db2.gz QHWVYXSLFFXXCO-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[N@H+](CC1CC([NH3+])C1)C[C@@H]1CCCO1 84984614 572089582 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573493778 /nfs/dbraw/zinc/49/37/78/573493778.db2.gz RRVOPKPLVSAUFG-MWLCHTKSSA-N 2 0 198.310 0.835 10 0 ACAERP C[NH2+][C@@H]1CC[C@@H]2[NH+]=CN(C)[C@@H]2C1 107307519 573493795 /nfs/dbraw/zinc/49/37/95/573493795.db2.gz XVTHQBAMEQCTGF-HRDYMLBCSA-N 2 0 167.256 0.469 10 0 ACAERP CCC1=[NH+][C@@H]2CC[C@@H](C[NH3+])C[C@@H]2N1 258043887 573493817 /nfs/dbraw/zinc/49/38/17/573493817.db2.gz RDDBAPBHQSRWPY-HLTSFMKQSA-N 2 0 181.283 0.894 10 0 ACAERP CC[NH+]1CCC([C@H]([NH3+])CN(C)C)CC1 258042655 573493824 /nfs/dbraw/zinc/49/38/24/573493824.db2.gz HDELNVYEOYYTCI-LLVKDONJSA-N 2 0 199.342 0.607 10 0 ACAERP CC[NH2+][C@H](C)[C@](C)(O)CC[NH2+]C 84997926 572096997 /nfs/dbraw/zinc/09/69/97/572096997.db2.gz TWHIXQXXISDGSR-RKDXNWHRSA-N 2 0 174.288 0.345 10 0 ACAERP CC[C@H](C)[N@H+](CC)C[C@H](O)C[NH3+] 37112870 572097015 /nfs/dbraw/zinc/09/70/15/572097015.db2.gz NSKKSSWJVYHZER-DTWKUNHWSA-N 2 0 174.288 0.426 10 0 ACAERP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCCOCC2)C1 83426319 573493840 /nfs/dbraw/zinc/49/38/40/573493840.db2.gz JNVLJRSRYVSMJY-GHMZBOCLSA-N 2 0 198.310 0.836 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H]([NH3+])C2CC[NH2+]CC2)C1 259472584 573493871 /nfs/dbraw/zinc/49/38/71/573493871.db2.gz RWHQZSRNCSQAIL-WDEREUQCSA-N 3 0 197.326 0.265 10 0 ACAERP CC[C@@H](O)CC[NH2+][C@@H](C)C1C[NH2+]C1 686245504 573493892 /nfs/dbraw/zinc/49/38/92/573493892.db2.gz XDSUYBCWTYPKMT-WCBMZHEXSA-N 2 0 186.299 0.345 10 0 ACAERP CC(C)N1[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH3+] 219817384 572111756 /nfs/dbraw/zinc/11/17/56/572111756.db2.gz DCVITPKEJYAPMH-QWRGUYRKSA-N 2 0 199.342 0.748 10 0 ACAERP CC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH2+]CC1 258689239 573495125 /nfs/dbraw/zinc/49/51/25/573495125.db2.gz QEBBZOAMVDWIOV-MNOVXSKESA-N 2 0 199.342 0.668 10 0 ACAERP [NH3+]CCC1C[C@@H]2CC[C@H](C1)[NH2+]2 86573184 573495130 /nfs/dbraw/zinc/49/51/30/573495130.db2.gz DWPWOESMQSNKPP-CBLAIPOGSA-N 2 0 154.257 0.866 10 0 ACAERP C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)[NH+]=CN2C 107306620 573495188 /nfs/dbraw/zinc/49/51/88/573495188.db2.gz FODJOGIQZXPNGB-HLTSFMKQSA-N 2 0 167.256 0.469 10 0 ACAERP C[C@@H]([NH3+])CCN(C)[C@@H]1CC[N@H+](C)C1 258692464 573495199 /nfs/dbraw/zinc/49/51/99/573495199.db2.gz FYCPLFKEEVLGCK-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP CC1(O)CC[NH+](C[C@H]2CC[NH2+]C2)CC1 258042224 573495215 /nfs/dbraw/zinc/49/52/15/573495215.db2.gz JGMOZSJVVWNLHO-JTQLQIEISA-N 2 0 198.310 0.443 10 0 ACAERP C[C@@H](C[C@](C)(O)C[NH3+])[NH+]1CCCC1 82915256 572149420 /nfs/dbraw/zinc/14/94/20/572149420.db2.gz ANXOFKOPJWADCT-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP C[NH2+]C(C)(C)[C@H](N)[C@@H]1CCC[N@H+](C)C1 259108197 573495240 /nfs/dbraw/zinc/49/52/40/573495240.db2.gz BJDDXGUQIWRNOS-NXEZZACHSA-N 2 0 199.342 0.654 10 0 ACAERP C[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259477507 573495248 /nfs/dbraw/zinc/49/52/48/573495248.db2.gz SDMMOCRNZDZUID-DJLDLDEBSA-N 3 0 171.288 0.003 10 0 ACAERP C[N@H+](CC[C@H]([NH3+])CO)CC1CCC1 82881180 572161195 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172.272 0.348 10 0 ACAERP C[C@@H](CN(C)C)[NH2+]C1CCC([NH3+])CC1 130237659 573495276 /nfs/dbraw/zinc/49/52/76/573495276.db2.gz SITOIKMSAXADOW-WHXUTIOJSA-N 2 0 199.342 0.796 10 0 ACAERP C[NH2+]C(C)(C)[C@H](N)[C@H]1CCC[N@H+](C)C1 259108200 573495278 /nfs/dbraw/zinc/49/52/78/573495278.db2.gz BJDDXGUQIWRNOS-VHSXEESVSA-N 2 0 199.342 0.654 10 0 ACAERP CC(C)[NH2+]CC1CCN(CC[NH3+])CC1 258697324 573498201 /nfs/dbraw/zinc/49/82/01/573498201.db2.gz QXTRLOOABNGPST-UHFFFAOYSA-N 2 0 199.342 0.655 10 0 ACAERP CN(CC[NH3+])CC[C@@H]1CC[N@H+](C)C1 258696389 573498240 /nfs/dbraw/zinc/49/82/40/573498240.db2.gz GHKDBBWKIYBHRQ-SNVBAGLBSA-N 2 0 185.315 0.219 10 0 ACAERP Nc1ccc2c[nH+]c(CCC[NH3+])n2c1 258047837 573498242 /nfs/dbraw/zinc/49/82/42/573498242.db2.gz BLHWQEFPVWTSES-UHFFFAOYSA-N 2 0 190.250 0.808 10 0 ACAERP C[NH2+][C@H](C1CCOCC1)[C@@H]1CCC[NH2+]1 259478135 573499180 /nfs/dbraw/zinc/49/91/80/573499180.db2.gz QMALFOOGJAUTIJ-WDEREUQCSA-N 2 0 198.310 0.753 10 0 ACAERP [NH3+]C[C@@H]1CC[C@@H]2[NH+]=CN[C@H]2C1 107306853 573499196 /nfs/dbraw/zinc/49/91/96/573499196.db2.gz SGNHDTMBUYISLS-CSMHCCOUSA-N 2 0 153.229 0.114 10 0 ACAERP C[C@@H](C(N)=[NH2+])N1CC[NH+](C2CC2)CC1 43528663 572196752 /nfs/dbraw/zinc/19/67/52/572196752.db2.gz OKBFGMPXOKVDRQ-QMMMGPOBSA-N 2 0 196.298 0.091 10 0 ACAERP [NH3+]C[C@H]1CCO[C@@H]1C[NH2+]C1CCCC1 715298232 573499211 /nfs/dbraw/zinc/49/92/11/573499211.db2.gz BLLYYBWDTFVEGH-MWLCHTKSSA-N 2 0 198.310 0.882 10 0 ACAERP C[NH2+]C[C@H]([NH2+]C)C1CCOCC1 259477506 573499284 /nfs/dbraw/zinc/49/92/84/573499284.db2.gz PMTDRVKVHNFXAY-VIFPVBQESA-N 2 0 172.272 0.220 10 0 ACAERP CN1C=[NH+][C@@H]2CC[C@@H]([NH3+])C[C@@H]21 107307649 573499293 /nfs/dbraw/zinc/49/92/93/573499293.db2.gz DNYJEVUIMDZMJI-PRJMDXOYSA-N 2 0 153.229 0.209 10 0 ACAERP C[C@H](C[NH3+])CN[C@H]1CC[N@H+](C)[C@H](C)C1 308609115 573499319 /nfs/dbraw/zinc/49/93/19/573499319.db2.gz KNYOTFPPZSRMDC-MXWKQRLJSA-N 2 0 199.342 0.654 10 0 ACAERP C[C@@H](CN(C)C)[NH2+][C@H](C)C(C)(C)O 130266597 573499332 /nfs/dbraw/zinc/49/93/32/573499332.db2.gz QJVWQEXQTQUCAQ-DTWKUNHWSA-N 2 0 188.315 0.686 10 0 ACAERP CN(CC[NH3+])CC[C@@H]1CCC[N@H+](C)C1 258702287 573499339 /nfs/dbraw/zinc/49/93/39/573499339.db2.gz GXEALXFKHLBSLQ-NSHDSACASA-N 2 0 199.342 0.609 10 0 ACAERP CC(C)[C@H](C[NH3+])C[NH2+]C1CC1 83607378 572343393 /nfs/dbraw/zinc/34/33/93/572343393.db2.gz SUDYCTSRKQVRLF-MRVPVSSYSA-N 2 0 156.273 0.969 10 0 ACAERP Cc1c[nH+]c2n1CC[C@@H](C[NH3+])C2 107311376 573504829 /nfs/dbraw/zinc/50/48/29/573504829.db2.gz KTGGRLXBBILDGF-MRVPVSSYSA-N 2 0 165.240 0.713 10 0 ACAERP CN[C@H]([C@H](C)[NH3+])[C@H]1CCC[N@H+](C)C1 259480792 573505968 /nfs/dbraw/zinc/50/59/68/573505968.db2.gz PRXUYYMZOPNACA-LPEHRKFASA-N 2 0 185.315 0.263 10 0 ACAERP CC[C@H](C[NH3+])C[N@H+](C)[C@@H](C)COC 83607951 572346759 /nfs/dbraw/zinc/34/67/59/572346759.db2.gz IFHMROKXOPFYDL-VHSXEESVSA-N 2 0 188.315 0.938 10 0 ACAERP C[N@@H+]1CCCC(=O)[C@H](CC[NH3+])C1 76598114 572376908 /nfs/dbraw/zinc/37/69/08/572376908.db2.gz 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CC[NH+](CC)CN1CC[NH2+]CC1 258715428 573507223 /nfs/dbraw/zinc/50/72/23/573507223.db2.gz SUNHQZLPEPYCSQ-UHFFFAOYSA-N 2 0 171.288 0.191 10 0 ACAERP [NH3+]CC1(C[NH2+]Cc2cccnc2)CC1 258713398 573507291 /nfs/dbraw/zinc/50/72/91/573507291.db2.gz SQPRUAJOYHTEGG-UHFFFAOYSA-N 2 0 191.278 0.910 10 0 ACAERP CC1([NH2+]C[C@@H]2OCC[C@H]2C[NH3+])CC1 715300729 573512041 /nfs/dbraw/zinc/51/20/41/573512041.db2.gz LUAQOYXSMIUCNY-IUCAKERBSA-N 2 0 184.283 0.492 10 0 ACAERP CC1(C)CO[C@H](C2CC[NH2+]CC2)[NH2+]1 258721973 573512137 /nfs/dbraw/zinc/51/21/37/573512137.db2.gz VKXQQQYWNDIZIV-SECBINFHSA-N 2 0 184.283 0.711 10 0 ACAERP C[C@H]([NH3+])c1cnc(C[C@@H]2CC[NH2+]C2)o1 258051268 573512155 /nfs/dbraw/zinc/51/21/55/573512155.db2.gz KXXFCFUEXGCXKN-YUMQZZPRSA-N 2 0 195.266 0.846 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H](N)[C@@H]2CCCC[NH2+]2)C1 259483299 573512167 /nfs/dbraw/zinc/51/21/67/573512167.db2.gz SLWZKBJNJDWZCU-GARJFASQSA-N 2 0 197.326 0.408 10 0 ACAERP [NH3+]C1(CC[N@@H+]2CCC[C@H](CO)C2)CC1 74237009 572437318 /nfs/dbraw/zinc/43/73/18/572437318.db2.gz ZVZKZZJSVUHYCX-JTQLQIEISA-N 2 0 198.310 0.572 10 0 ACAERP [NH3+]C1(CC[N@@H+]2CCC[C@@H](CO)C2)CC1 74237011 572437367 /nfs/dbraw/zinc/43/73/67/572437367.db2.gz ZVZKZZJSVUHYCX-SNVBAGLBSA-N 2 0 198.310 0.572 10 0 ACAERP C[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C1CCOCC1 74236935 572437382 /nfs/dbraw/zinc/43/73/82/572437382.db2.gz VMCOSURYAODLIV-WDEREUQCSA-N 2 0 198.310 0.835 10 0 ACAERP CC1([NH2+]C[C@@H]2OCC[C@H]2C[NH3+])CCC1 715300609 573512272 /nfs/dbraw/zinc/51/22/72/573512272.db2.gz KRWFFVZIUCTJRZ-UWVGGRQHSA-N 2 0 198.310 0.882 10 0 ACAERP COCCC[NH2+]CCC(C)(C)C[NH3+] 258725397 573512369 /nfs/dbraw/zinc/51/23/69/573512369.db2.gz MALUJGIULCEBFE-UHFFFAOYSA-N 2 0 188.315 0.988 10 0 ACAERP CCC[N@@H+]1CCCN(CC[NH2+]C)CC1 308610556 573512452 /nfs/dbraw/zinc/51/24/52/573512452.db2.gz QNOBBEMBMUURAD-UHFFFAOYSA-N 2 0 199.342 0.624 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H](N)[C@@H]2CCCC[NH2+]2)C1 259483294 573512469 /nfs/dbraw/zinc/51/24/69/573512469.db2.gz SLWZKBJNJDWZCU-DCAQKATOSA-N 2 0 197.326 0.408 10 0 ACAERP CN1C(C2CC2)=[NH+][C@@H]2C[C@@H]([NH3+])CC[C@@H]21 250608001 572494277 /nfs/dbraw/zinc/49/42/77/572494277.db2.gz LVNQLGWUJYCDBT-AEJSXWLSSA-N 2 0 193.294 0.989 10 0 ACAERP COCC1CC([NH2+][C@@H](C)[C@H](C)[NH3+])C1 713978790 572504208 /nfs/dbraw/zinc/50/42/08/572504208.db2.gz NIZQDJGBUGGKFA-DKEVHCRPSA-N 2 0 186.299 0.737 10 0 ACAERP C[C@H](C[NH3+])C[NH2+]CCCn1ccnc1 308602155 573512591 /nfs/dbraw/zinc/51/25/91/573512591.db2.gz DOWGYNNAEXKVFC-SNVBAGLBSA-N 2 0 196.298 0.458 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 250634117 572505484 /nfs/dbraw/zinc/50/54/84/572505484.db2.gz FBHIUKAAFQVHMS-OUAUKWLOSA-N 2 0 198.310 0.571 10 0 ACAERP C[NH2+]C[C@@H]1CC[C@H]2[NH+]=CN(C)[C@H]2C1 250700412 572532702 /nfs/dbraw/zinc/53/27/02/572532702.db2.gz COVCBDXLGPXQFO-BBBLOLIVSA-N 2 0 181.283 0.717 10 0 ACAERP CC(C)N1CC[N@H+](C)C[C@H]1CC[NH3+] 250745681 572532732 /nfs/dbraw/zinc/53/27/32/572532732.db2.gz MINWPGGIUQQWBS-SNVBAGLBSA-N 2 0 185.315 0.360 10 0 ACAERP C[NH2+][C@@H]1CC[C@H]2[NH+]=C(C3CC3)N[C@H]2C1 250730756 572532772 /nfs/dbraw/zinc/53/27/72/572532772.db2.gz KJZYVVBMHHBLKN-BBBLOLIVSA-N 2 0 193.294 0.907 10 0 ACAERP C[NH2+][C@H]1CCC[N@@H+]2CCC[C@@H]12 250770507 572532779 /nfs/dbraw/zinc/53/27/79/572532779.db2.gz USDUKZHKJLLHBL-IUCAKERBSA-N 2 0 154.257 0.833 10 0 ACAERP COC[C@@H](C[NH3+])S[C@@H](C)CC[NH3+] 308043046 572507236 /nfs/dbraw/zinc/50/72/36/572507236.db2.gz OFLIVCNYVYODLG-JGVFFNPUSA-N 2 0 192.328 0.431 10 0 ACAERP C[NH+](C)CCCNCC1(C[NH3+])CCC1 258729999 573513215 /nfs/dbraw/zinc/51/32/15/573513215.db2.gz VCXQTMRSFREZQV-UHFFFAOYSA-N 2 0 199.342 0.657 10 0 ACAERP COCCC[NH2+]C[C@@H](C)C[NH3+] 258725686 573513225 /nfs/dbraw/zinc/51/32/25/573513225.db2.gz MDLRKWPJEXCEIF-QMMMGPOBSA-N 2 0 160.261 0.207 10 0 ACAERP CN1CC[C@@H](C[NH3+])[C@H]2CC[N@H+](C)C[C@@H]21 250652456 572524411 /nfs/dbraw/zinc/52/44/11/572524411.db2.gz XAMIHPGLTGFJQW-AXFHLTTASA-N 3 0 197.326 0.217 10 0 ACAERP C[NH+]1CC[C@@H]2[C@H](C1)[C@H](CC[NH3+])C[N@H+]2C 250665251 572524522 /nfs/dbraw/zinc/52/45/22/572524522.db2.gz ZPFWYZBPUDEQRL-GMTAPVOTSA-N 3 0 197.326 0.217 10 0 ACAERP CCOc1ccc([C@@H](N)C[NH3+])c(N)c1 238294757 572535667 /nfs/dbraw/zinc/53/56/67/572535667.db2.gz RJSBSRUCBIDZRF-JTQLQIEISA-N 2 0 195.266 0.626 10 0 ACAERP C[NH2+][C@@H](CO)CC[N@@H+]1CC[C@@H](C)C1 223051575 572535763 /nfs/dbraw/zinc/53/57/63/572535763.db2.gz JGVCSKDAXGRHDL-NXEZZACHSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@@H](CN)[NH2+]C[C@H]1CC1(C)C 235135983 572536092 /nfs/dbraw/zinc/53/60/92/572536092.db2.gz JXQWNMNBZARRIL-JGVFFNPUSA-N 2 0 156.273 0.969 10 0 ACAERP OC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]1 250985993 572537243 /nfs/dbraw/zinc/53/72/43/572537243.db2.gz BXPQPDWLWIJLFY-MNOVXSKESA-N 2 0 198.310 0.585 10 0 ACAERP C1C[C@H](CC[NH2+]C[C@H]2CCOC2)C[NH2+]1 84385761 572537507 /nfs/dbraw/zinc/53/75/07/572537507.db2.gz NDOURPRBVMPLAI-GHMZBOCLSA-N 2 0 198.310 0.612 10 0 ACAERP OC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]1 250985997 572537508 /nfs/dbraw/zinc/53/75/08/572537508.db2.gz BXPQPDWLWIJLFY-QWRGUYRKSA-N 2 0 198.310 0.585 10 0 ACAERP CC(C)[NH2+]C[C@@H](C)N1CC[NH2+]CC1 258721624 573513977 /nfs/dbraw/zinc/51/39/77/573513977.db2.gz UFPQVJYANUJTQB-SNVBAGLBSA-N 2 0 185.315 0.278 10 0 ACAERP C[NH2+][C@H]1CC[C@@H]([NH+](C)C)C1 86618515 573518748 /nfs/dbraw/zinc/51/87/48/573518748.db2.gz HYXQFUNUJXITIU-JGVFFNPUSA-N 2 0 142.246 0.689 10 0 ACAERP C[C@H]([NH2+][C@@H]1C[C@H]1C)C1C[NH2+]C1 686245915 573518831 /nfs/dbraw/zinc/51/88/31/573518831.db2.gz RBHRRFWTIFOCRW-BKPPORCPSA-N 2 0 154.257 0.592 10 0 ACAERP [NH3+]C[C@]1(F)CC[C@@H]([NH3+])C1 257822933 573518910 /nfs/dbraw/zinc/51/89/10/573518910.db2.gz FLUVKWXUKOSRFI-RITPCOANSA-N 2 0 132.182 0.165 10 0 ACAERP C[NH2+][C@]1(CO)CCC[C@@H]([NH+](C)C)C1 86617070 573518980 /nfs/dbraw/zinc/51/89/80/573518980.db2.gz LRRIWAUJAHLAJS-NXEZZACHSA-N 2 0 186.299 0.441 10 0 ACAERP C[N@H+](C/C=C/C[NH3+])CC1CC1 85054848 572637089 /nfs/dbraw/zinc/63/70/89/572637089.db2.gz VGVQHQGBOXGSEB-NSCUHMNNSA-N 2 0 154.257 0.843 10 0 ACAERP CC[C@](C)(O)C[NH2+]C1CC([NH3+])C1 87652059 572637108 /nfs/dbraw/zinc/63/71/08/572637108.db2.gz PWUAAZADDZQBST-HACHORDNSA-N 2 0 172.272 0.227 10 0 ACAERP C[C@H]([NH3+])C[C@@H]([NH3+])[C@@H]1CCCO1 238424429 573519035 /nfs/dbraw/zinc/51/90/35/573519035.db2.gz FZRFVGUFGWCXFU-RNJXMRFFSA-N 2 0 158.245 0.230 10 0 ACAERP C[NH+](C)CCc1cc(C[NH3+])no1 74331268 572657795 /nfs/dbraw/zinc/65/77/95/572657795.db2.gz OOSWQTZRAFMLMS-UHFFFAOYSA-N 2 0 169.228 0.237 10 0 ACAERP NC(=[NH2+])Cc1cncn1C1CC1 107328444 573519051 /nfs/dbraw/zinc/51/90/51/573519051.db2.gz AWENZWDVVFABIC-UHFFFAOYSA-N 2 0 164.212 0.696 10 0 ACAERP C[C@H](OCC[N@H+](C)C1CCC1)C(N)=[NH2+] 308613388 573523491 /nfs/dbraw/zinc/52/34/91/573523491.db2.gz ZGLHXEFDRACHJK-QMMMGPOBSA-N 2 0 199.298 0.812 10 0 ACAERP CN(C)[C@H](c1ccccc1)[C@@H]([NH3+])CO 259485757 573526459 /nfs/dbraw/zinc/52/64/59/573526459.db2.gz KVCXTTSPKWCJIA-WDEREUQCSA-N 2 0 194.278 0.609 10 0 ACAERP 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/nfs/dbraw/zinc/53/14/10/573531410.db2.gz LYSWYDQMDMHZPH-WCBMZHEXSA-N 2 0 186.299 0.345 10 0 ACAERP C[NH2+]CC(C)(C)[NH2+]C1CCOCC1 258753748 573531430 /nfs/dbraw/zinc/53/14/30/573531430.db2.gz GOFQVBLJPHKWPY-UHFFFAOYSA-N 2 0 186.299 0.753 10 0 ACAERP CC[C@](C)(O)C[NH2+][C@H](C)C1C[NH2+]C1 686246437 573531449 /nfs/dbraw/zinc/53/14/49/573531449.db2.gz LYSWYDQMDMHZPH-SCZZXKLOSA-N 2 0 186.299 0.345 10 0 ACAERP CC[N@H+](C)[C@@H]1CC[C@]([NH3+])(CO)C1 86632804 573531450 /nfs/dbraw/zinc/53/14/50/573531450.db2.gz ACBKIQJPMYQVGP-RKDXNWHRSA-N 2 0 172.272 0.180 10 0 ACAERP C[NH2+]CCCC[NH2+]CCCF 307867890 572680608 /nfs/dbraw/zinc/68/06/08/572680608.db2.gz HGLFRYUIABCFOP-UHFFFAOYSA-N 2 0 162.252 0.935 10 0 ACAERP C[C@H](C[NH3+])C[NH2+]C1CC1 54345803 572680769 /nfs/dbraw/zinc/68/07/69/572680769.db2.gz IPJCDQWLOVXPQI-ZCFIWIBFSA-N 2 0 128.219 0.333 10 0 ACAERP CC[N@H+](C)[C@H]1CC[C@]([NH3+])(CO)C1 86632806 573531640 /nfs/dbraw/zinc/53/16/40/573531640.db2.gz ACBKIQJPMYQVGP-DTWKUNHWSA-N 2 0 172.272 0.180 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199.342 0.476 10 0 ACAERP CCN1CCO[C@H]([C@@H](C)[NH2+]C)C1 86654123 573536407 /nfs/dbraw/zinc/53/64/07/573536407.db2.gz JHKLXODBLJSQCR-BDAKNGLRSA-N 2 0 172.272 0.315 10 0 ACAERP CC(C)NC(=[NH2+])[C@H]1CN(C)CCN1C 86653585 573536438 /nfs/dbraw/zinc/53/64/38/573536438.db2.gz CRMYDHMWLWFPNU-SECBINFHSA-N 2 0 198.314 0.207 10 0 ACAERP C[NH2+][C@@H](C1CCOCC1)C1([NH3+])CC1 259104979 573536455 /nfs/dbraw/zinc/53/64/55/573536455.db2.gz FHBHVFYBMURBNF-VIFPVBQESA-N 2 0 184.283 0.492 10 0 ACAERP CCCNC(=[NH2+])[C@@H]1CN(C)CCN1C 86653582 573536459 /nfs/dbraw/zinc/53/64/59/573536459.db2.gz KVUHNEUPTYUQII-VIFPVBQESA-N 2 0 198.314 0.209 10 0 ACAERP COC[C@@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 686246564 573536497 /nfs/dbraw/zinc/53/64/97/573536497.db2.gz UHTNEKPCHOIDLS-IUCAKERBSA-N 2 0 186.299 0.466 10 0 ACAERP CCN1CCO[C@@H]([C@@H](C)[NH2+]C)C1 86654124 573536501 /nfs/dbraw/zinc/53/65/01/573536501.db2.gz JHKLXODBLJSQCR-RKDXNWHRSA-N 2 0 172.272 0.315 10 0 ACAERP CCCC1=[NH+][C@@H]2CC[NH2+]C[C@@H]2N1 258052951 573536528 /nfs/dbraw/zinc/53/65/28/573536528.db2.gz RNBIDSWURAMWCW-SFYZADRCSA-N 2 0 167.256 0.519 10 0 ACAERP C[NH2+][C@H]1COC[C@@H]1C[N@H+](C)CC1CC1 85382612 572737769 /nfs/dbraw/zinc/73/77/69/572737769.db2.gz RJJXFFGMAQWCQU-QWRGUYRKSA-N 2 0 198.310 0.563 10 0 ACAERP C[NH2+][C@@H]1COC[C@H]1C[NH2+]C(C)(C)C 85382679 572738804 /nfs/dbraw/zinc/73/88/04/572738804.db2.gz OSMKNLOHLCJWII-RKDXNWHRSA-N 2 0 186.299 0.609 10 0 ACAERP C1CC[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)OC1 257829058 573536676 /nfs/dbraw/zinc/53/66/76/573536676.db2.gz IQYWPDYTGNHZRO-UWVGGRQHSA-N 2 0 184.283 0.712 10 0 ACAERP CC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686246614 573541533 /nfs/dbraw/zinc/54/15/33/573541533.db2.gz WDHYWOXANGCJIT-HTQZYQBOSA-N 2 0 156.273 0.982 10 0 ACAERP CCN1CCO[C@H](C(=[NH2+])N(C)C)C1 86654387 573541549 /nfs/dbraw/zinc/54/15/49/573541549.db2.gz YKMZZWITHNCLOE-QMMMGPOBSA-N 2 0 185.271 0.246 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H](N)C(C)(C)C[NH3+])C1 259105623 573541572 /nfs/dbraw/zinc/54/15/72/573541572.db2.gz 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CSCC[N@H+](C)C/C=C\C[NH3+] 307909361 572754329 /nfs/dbraw/zinc/75/43/29/572754329.db2.gz YCNGTQIIQUKEQX-ARJAWSKDSA-N 2 0 174.313 0.796 10 0 ACAERP CCN(CC[NH+](C)C)[C@H]1CC[NH2+]C1 70899984 572754361 /nfs/dbraw/zinc/75/43/61/572754361.db2.gz FBYQLCYOJPQFQJ-JTQLQIEISA-N 2 0 185.315 0.232 10 0 ACAERP CC[C@@]1([NH2+]C[C@@H]2CC[NH2+]C2)CCOC1 393532799 573545644 /nfs/dbraw/zinc/54/56/44/573545644.db2.gz YOCWHGLQTZJBKD-GHMZBOCLSA-N 2 0 198.310 0.755 10 0 ACAERP O[C@H](C[NH+]1CCCCCC1)C1C[NH2+]C1 259501016 573545886 /nfs/dbraw/zinc/54/58/86/573545886.db2.gz YTIHEHGCQLNYTB-LLVKDONJSA-N 2 0 198.310 0.443 10 0 ACAERP CC[C@@H]([NH3+])C[C@H]([NH3+])CC 95535177 573545903 /nfs/dbraw/zinc/54/59/03/573545903.db2.gz GZVVDCYSRRRWCX-RNFRBKRXSA-N 2 0 130.235 0.851 10 0 ACAERP CN[C@@H](C[NH2+]C1CC1)[C@@H]1CC[N@H+](C)C1 259499085 573545982 /nfs/dbraw/zinc/54/59/82/573545982.db2.gz RWCJTFAKLSLAQM-KOLCDFICSA-N 2 0 197.326 0.278 10 0 ACAERP C[C@@H]([NH3+])CC[NH2+]CCc1ccccn1 258767509 573546052 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184.283 0.589 10 0 ACAERP CCC[C@H]([NH3+])C[C@@H]1C[N@H+](C)CCN1 259119175 573549198 /nfs/dbraw/zinc/54/91/98/573549198.db2.gz AHZBMZDZKBSETL-VHSXEESVSA-N 2 0 185.315 0.408 10 0 ACAERP COCC[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 686247007 573549206 /nfs/dbraw/zinc/54/92/06/573549206.db2.gz QVVAYGPLPZDEAG-RKDXNWHRSA-N 2 0 186.299 0.609 10 0 ACAERP [NH3+]CCCC[NH2+]CCc1ccncc1 258770572 573549369 /nfs/dbraw/zinc/54/93/69/573549369.db2.gz AQZVOSYMRUSBHM-UHFFFAOYSA-N 2 0 193.294 0.953 10 0 ACAERP Cc1c(CC[NH3+])cnn1[C@@H]1CC[NH2+]C1 257826309 573549380 /nfs/dbraw/zinc/54/93/80/573549380.db2.gz HOGNMYVGQBSHSV-SNVBAGLBSA-N 2 0 194.282 0.227 10 0 ACAERP NC(=[NH2+])CCC[N@@H+]1C[C@@H]2CC[C@H](C1)O2 85540531 572761341 /nfs/dbraw/zinc/76/13/41/572761341.db2.gz VJOLGSKZGQSEMG-DTORHVGOSA-N 2 0 197.282 0.566 10 0 ACAERP Nc1ccccc1C[NH2+]CCC[NH3+] 85573193 572764136 /nfs/dbraw/zinc/76/41/36/572764136.db2.gz WFGHFCAYWXOVMR-UHFFFAOYSA-N 2 0 179.267 0.707 10 0 ACAERP C[NH2+]C[C@H]1C[N@@H+](C2CCCC2)CCN1 259119388 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258795098 573576712 /nfs/dbraw/zinc/57/67/12/573576712.db2.gz CTWSOSQUCFTCLF-SNVBAGLBSA-N 2 0 185.315 0.437 10 0 ACAERP C[NH+]1CC(C[C@@H]2CCC[NH2+]C2)C1 107404349 573576725 /nfs/dbraw/zinc/57/67/25/573576725.db2.gz PRRHXXXKBUDNLV-VIFPVBQESA-N 2 0 168.284 0.938 10 0 ACAERP CC1(C)CO[C@@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 258503061 573576745 /nfs/dbraw/zinc/57/67/45/573576745.db2.gz MFBVYPIYNWRRBR-SCZZXKLOSA-N 2 0 184.283 0.711 10 0 ACAERP CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1CCOC1 308196655 572940223 /nfs/dbraw/zinc/94/02/23/572940223.db2.gz RMIVKDSMUZOAND-NXEZZACHSA-N 2 0 186.299 0.740 10 0 ACAERP C[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C1C[NH2+]C1 686236639 572940241 /nfs/dbraw/zinc/94/02/41/572940241.db2.gz GPZAKTNDZNLJKJ-KKZNHRDASA-N 2 0 198.310 0.609 10 0 ACAERP CC(C)C[C@@H]([NH3+])C(=O)SCC[NH3+] 238137079 572941503 /nfs/dbraw/zinc/94/15/03/572941503.db2.gz QBJZMWWTOYHNPV-SSDOTTSWSA-N 2 0 190.312 0.578 10 0 ACAERP OC1CC[NH+](CC[C@H]2CCC[NH2+]2)CC1 58267111 572947879 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194.282 0.693 10 0 ACAERP C[NH+](C)[C@@H]1CCC[C@@H](NC2COC2)C1 306243798 573323047 /nfs/dbraw/zinc/32/30/47/573323047.db2.gz AKXBICKQOMRXMK-MWLCHTKSSA-N 2 0 198.310 0.848 10 0 ACAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C1C[NH2+]C1 686244728 573323072 /nfs/dbraw/zinc/32/30/72/573323072.db2.gz JWXPRYPJEWRMKC-SFGNSQDASA-N 2 0 184.283 0.097 10 0 ACAERP CC(C)=CC[NH2+]CCC[NH3+] 74339330 573323151 /nfs/dbraw/zinc/32/31/51/573323151.db2.gz JVCQHRDZJZGMJY-UHFFFAOYSA-N 2 0 142.246 0.891 10 0 ACAERP C[C@H]1C[NH2+][C@](C)(C2CC[NH2+]CC2)OC1 258631418 573333458 /nfs/dbraw/zinc/33/34/58/573333458.db2.gz RPWNTWMXJVXTKP-ONGXEEELSA-N 2 0 198.310 0.958 10 0 ACAERP C[C@H](C[NH3+])C(=O)C1CC[NH+](C)CC1 259085902 573333462 /nfs/dbraw/zinc/33/34/62/573333462.db2.gz FYKQJOZTLDDQRT-MRVPVSSYSA-N 2 0 184.283 0.492 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H](N)[C@H]2CCC[NH2+]2)C1 259420604 573333492 /nfs/dbraw/zinc/33/34/92/573333492.db2.gz OZAZDSGCVVFNQH-HBNTYKKESA-N 2 0 197.326 0.408 10 0 ACAERP 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573410237 /nfs/dbraw/zinc/41/02/37/573410237.db2.gz HCTCEWFOXJCNGN-QMMMGPOBSA-N 2 0 160.261 0.086 10 0 ACAERP CCC[N@@H+]1CC[C@H](N(C)CC[NH3+])C1 258645846 573410311 /nfs/dbraw/zinc/41/03/11/573410311.db2.gz SNDVXLRGMPTLGG-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP Cc1ccoc1C[NH2+]CCOCC[NH3+] 308578245 573410332 /nfs/dbraw/zinc/41/03/32/573410332.db2.gz NTKVWIIIYMYRHU-UHFFFAOYSA-N 2 0 198.266 0.653 10 0 ACAERP C[C@@H]([NH2+]CC1CC1)[C@@H]1CC[NH2+]C1 238382118 573410429 /nfs/dbraw/zinc/41/04/29/573410429.db2.gz KMSQLICZASVHJJ-PSASIEDQSA-N 2 0 168.284 0.984 10 0 ACAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC(O)C2)C1 86404772 573410455 /nfs/dbraw/zinc/41/04/55/573410455.db2.gz UYAQQPOKRUMMPR-XHHQTKHESA-N 2 0 184.283 0.369 10 0 ACAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cnc[nH]2)C1 86404716 573410622 /nfs/dbraw/zinc/41/06/22/573410622.db2.gz PZACIVMBYBRZHF-DTWKUNHWSA-N 2 0 194.282 0.769 10 0 ACAERP C[N@H+](CCCC[NH3+])[C@H]1CCOC1 133504351 573410640 /nfs/dbraw/zinc/41/06/40/573410640.db2.gz MRIBLGBZJLQANS-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP C[C@H](O)CC[NH2+]C[C@@H]1CC[N@H+](C)C1 133566721 573418080 /nfs/dbraw/zinc/41/80/80/573418080.db2.gz GXJFMJFROPTKPV-UWVGGRQHSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@]1(O)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 259527802 573606546 /nfs/dbraw/zinc/60/65/46/573606546.db2.gz AWGCXWYYADVGNN-ZJUUUORDSA-N 2 0 184.283 0.053 10 0 ACAERP C[C@H]1C[C@@]2(CC[NH2+]C2)C[N@@H+]1C 107219963 573417362 /nfs/dbraw/zinc/41/73/62/573417362.db2.gz ARQYEVXMGYOXJK-DTWKUNHWSA-N 2 0 154.257 0.690 10 0 ACAERP OC[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC1 215195994 573417423 /nfs/dbraw/zinc/41/74/23/573417423.db2.gz FERIAZADUZBTHW-PSASIEDQSA-N 2 0 184.283 0.099 10 0 ACAERP [NH3+][C@@H]1CCC[C@H]([NH+]2CCC(O)CC2)C1 86409717 573417501 /nfs/dbraw/zinc/41/75/01/573417501.db2.gz RZPUFNWSQRTCGL-ZJUUUORDSA-N 2 0 198.310 0.713 10 0 ACAERP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CC[NH2+]C2)OC1 258647270 573417544 /nfs/dbraw/zinc/41/75/44/573417544.db2.gz SDRHTUWPUZSRMT-MXWKQRLJSA-N 2 0 198.310 0.958 10 0 ACAERP C[NH2+]CCN1CCC[N@H+](C)[C@H](C)C1 258336594 573417639 /nfs/dbraw/zinc/41/76/39/573417639.db2.gz YPNNCDNTVCLLDL-SNVBAGLBSA-N 2 0 185.315 0.232 10 0 ACAERP C[NH2+][C@@H]1CC[N@@H+](C2CC2)CC[C@@H]1CO 215200327 573417644 /nfs/dbraw/zinc/41/76/44/573417644.db2.gz GIESSDFMBZQILV-MWLCHTKSSA-N 2 0 198.310 0.441 10 0 ACAERP C[C@@H]1[C@H]2C[NH2+]CC[C@@H]2C[N@@H+]1C 107219839 573417686 /nfs/dbraw/zinc/41/76/86/573417686.db2.gz CFNCUWCMYHOYJP-IWSPIJDZSA-N 2 0 154.257 0.546 10 0 ACAERP C[NH+](C)CCC[NH2+][C@@H](CO)C1CC1 308386947 573417706 /nfs/dbraw/zinc/41/77/06/573417706.db2.gz XNORBAWLFIIFRK-JTQLQIEISA-N 2 0 186.299 0.299 10 0 ACAERP CC[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CC1 107220023 573417799 /nfs/dbraw/zinc/41/77/99/573417799.db2.gz KHGLTNXUDAVHRA-RKDXNWHRSA-N 2 0 154.257 0.960 10 0 ACAERP CC(C)[NH+]1CCC(C(C[NH3+])C[NH3+])CC1 258336374 573417841 /nfs/dbraw/zinc/41/78/41/573417841.db2.gz YWPJKNSMYPGRMI-UHFFFAOYSA-N 2 0 199.342 0.640 10 0 ACAERP C[N@H+](C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86410079 573417875 /nfs/dbraw/zinc/41/78/75/573417875.db2.gz ABNKZVNYADEQKF-IONNQARKSA-N 2 0 154.257 0.960 10 0 ACAERP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CC[NH2+]C2)OC1 258647284 573417911 /nfs/dbraw/zinc/41/79/11/573417911.db2.gz SDRHTUWPUZSRMT-OUAUKWLOSA-N 2 0 198.310 0.958 10 0 ACAERP CC1=C[C@H](C)C[N@H+](CCNC(N)=[NH2+])C1 238390107 573417932 /nfs/dbraw/zinc/41/79/32/573417932.db2.gz PZCPSGREUVMFBM-QMMMGPOBSA-N 2 0 196.298 0.367 10 0 ACAERP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C1CC1 107219985 573417979 /nfs/dbraw/zinc/41/79/79/573417979.db2.gz PRIMYXZHKJTJBX-SFYZADRCSA-N 2 0 154.257 0.818 10 0 ACAERP [NH3+][C@H]1CC[C@@H]([N@@H+]2CCCOCC2)C1 86432755 573421978 /nfs/dbraw/zinc/42/19/78/573421978.db2.gz KDHNMFZAVQBJGX-VHSXEESVSA-N 2 0 184.283 0.589 10 0 ACAERP [NH3+]C[C@@H]1SCC[N@@H+]2CCCC[C@@H]12 258026639 573421980 /nfs/dbraw/zinc/42/19/80/573421980.db2.gz OPAFZTBTQXMWCH-IUCAKERBSA-N 2 0 186.324 0.915 10 0 ACAERP C1CC1[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 107222300 573422045 /nfs/dbraw/zinc/42/20/45/573422045.db2.gz KSXPVGYPGZEBGZ-RKDXNWHRSA-N 2 0 166.268 0.690 10 0 ACAERP [NH3+]CCCO[PH](=O)OCCC[NH3+] 78073347 573421421 /nfs/dbraw/zinc/42/14/21/573421421.db2.gz YSEREWQFIMFYJT-UHFFFAOYSA-N 2 0 196.187 0.107 10 0 ACAERP C[N@H+](CC1CC(O)C1)C1CC[NH2+]CC1 86433025 573421489 /nfs/dbraw/zinc/42/14/89/573421489.db2.gz NPUMBBGCAWFVJM-UHFFFAOYSA-N 2 0 198.310 0.441 10 0 ACAERP CC[NH+](CC)[C@H](C)[C@@H]1CNCCO1 133671160 573421577 /nfs/dbraw/zinc/42/15/77/573421577.db2.gz MVFUOXGHYDLKGM-ZJUUUORDSA-N 2 0 186.299 0.705 10 0 ACAERP C[N@@H+]1CCC[C@H](C[C@@H]2[NH2+]CCO2)C1 258019764 573421654 /nfs/dbraw/zinc/42/16/54/573421654.db2.gz BXDDDUGKHSNBIA-NXEZZACHSA-N 2 0 184.283 0.664 10 0 ACAERP CC(C)C[C@@H]([NH3+])[C@@H]1C[NH2+]CCN1C 259444654 573422179 /nfs/dbraw/zinc/42/21/79/573422179.db2.gz NUIMABNLBFVFGN-ZJUUUORDSA-N 2 0 185.315 0.263 10 0 ACAERP C[NH+]1CCC([C@@H]2C[NH2+][C@H](CO)C2)CC1 258026478 573421770 /nfs/dbraw/zinc/42/17/70/573421770.db2.gz BVISCEOPNBAPQS-QWRGUYRKSA-N 2 0 198.310 0.299 10 0 ACAERP [NH3+]C[C@H]1SCC[N@@H+]2CCCC[C@H]12 258026643 573421785 /nfs/dbraw/zinc/42/17/85/573421785.db2.gz OPAFZTBTQXMWCH-RKDXNWHRSA-N 2 0 186.324 0.915 10 0 ACAERP C[NH+](C)C[C@H](C[NH3+])[C@@H]1CCSC1 258019800 573421880 /nfs/dbraw/zinc/42/18/80/573421880.db2.gz FXXPFGJEBDMGQU-BDAKNGLRSA-N 2 0 188.340 0.876 10 0 ACAERP C1C[C@@H]2C[N@H+](C3CC3)CC[C@H]2[NH2+]1 107222331 573421931 /nfs/dbraw/zinc/42/19/31/573421931.db2.gz WWZIOINIUVBTPV-PSASIEDQSA-N 2 0 166.268 0.833 10 0 ACAERP CC1(C)C[NH2+]CCN([C@H]2CC[NH2+]C2)C1 258024898 573421940 /nfs/dbraw/zinc/42/19/40/573421940.db2.gz HEXKXQMWRITQMY-JTQLQIEISA-N 2 0 197.326 0.280 10 0 ACAERP C[C@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)C(N)=[NH2+] 405190582 573421941 /nfs/dbraw/zinc/42/19/41/573421941.db2.gz QIRNKGYECCGBPL-JGVFFNPUSA-N 2 0 199.298 0.404 10 0 ACAERP C[NH+]1CCN(CC[C@H]([NH3+])C2CC2)CC1 130002003 573427080 /nfs/dbraw/zinc/42/70/80/573427080.db2.gz ZYWYCHJIQCRMDK-NSHDSACASA-N 2 0 197.326 0.361 10 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CC1(C)C[N@@H+]([C@H]2CC[C@H]([NH3+])C2)CCO1 86431540 573426452 /nfs/dbraw/zinc/42/64/52/573426452.db2.gz CRTYFESZWZWCNE-UWVGGRQHSA-N 2 0 198.310 0.977 10 0 ACAERP COC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86432971 573426505 /nfs/dbraw/zinc/42/65/05/573426505.db2.gz DZFYCTAAMOCHKB-OUAUKWLOSA-N 2 0 198.310 0.835 10 0 ACAERP C[NH2+]Cc1ccnn1[C@H]1CC[NH2+]C1 257811695 573426638 /nfs/dbraw/zinc/42/66/38/573426638.db2.gz BHKUEIWGALCHFE-VIFPVBQESA-N 2 0 180.255 0.137 10 0 ACAERP [NH3+]CCOCC[NH2+]Cc1ccccc1 86435451 573426672 /nfs/dbraw/zinc/42/66/72/573426672.db2.gz MTLOSNQAWGNBGL-UHFFFAOYSA-N 2 0 194.278 0.752 10 0 ACAERP C[N@H+](CC(C)(C)O)[C@@H]1CC[C@H]([NH3+])C1 86433075 573426726 /nfs/dbraw/zinc/42/67/26/573426726.db2.gz HJRCSQMTOBHUHK-DTWKUNHWSA-N 2 0 186.299 0.569 10 0 ACAERP [NH3+][C@@H]1CCC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 86432723 573426741 /nfs/dbraw/zinc/42/67/41/573426741.db2.gz ZEIGTVJTVMRLIV-BBBLOLIVSA-N 2 0 184.283 0.323 10 0 ACAERP [NH3+][C@@H]1CCC[C@@H]([N@@H+]2CCCOCC2)C1 86432752 573426817 /nfs/dbraw/zinc/42/68/17/573426817.db2.gz KHJITNJGJFEGDU-GHMZBOCLSA-N 2 0 198.310 0.979 10 0 ACAERP CC(C)(C)[C@@H]([NH3+])N1CC[NH2+]CC1 259446589 573426824 /nfs/dbraw/zinc/42/68/24/573426824.db2.gz NWPKCURLEYTJLZ-QMMMGPOBSA-N 2 0 171.288 0.223 10 0 ACAERP [NH3+]C1CCC([N@@H+]2CCC[C@@H]2CO)CC1 86431742 573426832 /nfs/dbraw/zinc/42/68/32/573426832.db2.gz YPVOOLXKVLQXCG-VQXHTEKXSA-N 2 0 198.310 0.713 10 0 ACAERP O=C1CCCN(C[C@H]2CC[NH2+]C2)CC1 258027279 573426912 /nfs/dbraw/zinc/42/69/12/573426912.db2.gz IJHAMEKOJMPHJQ-JTQLQIEISA-N 2 0 196.294 0.651 10 0 ACAERP CC[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 86431552 573426978 /nfs/dbraw/zinc/42/69/78/573426978.db2.gz LJISWDHOWNRDCU-HBNTYKKESA-N 2 0 198.310 0.977 10 0 ACAERP CCC(CC)[N@H+](C)[C@@H](CN)CO 130034105 573430589 /nfs/dbraw/zinc/43/05/89/573430589.db2.gz PMNRIHWINKAICG-VIFPVBQESA-N 2 0 174.288 0.426 10 0 ACAERP C[NH2+]CC[C@@H]([NH2+]C)C1CCC1 259446514 573429832 /nfs/dbraw/zinc/42/98/32/573429832.db2.gz 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258377210 573459958 /nfs/dbraw/zinc/45/99/58/573459958.db2.gz SOKBHIZYNLRSKI-JTQLQIEISA-N 2 0 194.278 0.996 10 0 ACAERP [NH3+]C[C@H](C[NH2+]C1CC1)[C@H]1CCOC1 258033467 573459962 /nfs/dbraw/zinc/45/99/62/573459962.db2.gz GQESUMYEKRNLEG-DTWKUNHWSA-N 2 0 184.283 0.350 10 0 ACAERP C[C@@H]1C[C@@H](C[C@H]2CC[NH2+]C2)C[NH2+]1 258366164 573459980 /nfs/dbraw/zinc/45/99/80/573459980.db2.gz ZTTJDHOGSIJPBE-BBBLOLIVSA-N 2 0 168.284 0.984 10 0 ACAERP C[C@H](C[NH+](C)C)N[C@@H]1CCC[C@@H]1C[NH3+] 130081348 573460042 /nfs/dbraw/zinc/46/00/42/573460042.db2.gz BUFISQVQEAAGFM-GMTAPVOTSA-N 2 0 199.342 0.654 10 0 ACAERP CC1(C)C[NH2+][C@@H](C[C@@H]2CC[NH2+]C2)O1 258382948 573460110 /nfs/dbraw/zinc/46/01/10/573460110.db2.gz HJPXBGBOUAGARM-DTWKUNHWSA-N 2 0 184.283 0.711 10 0 ACAERP C[C@]1(CO)C[C@@H]([C@@H]2CCC[NH2+]C2)C[NH2+]1 258367388 573460445 /nfs/dbraw/zinc/46/04/45/573460445.db2.gz ZVYROIKNKRGYGJ-GMTAPVOTSA-N 2 0 198.310 0.347 10 0 ACAERP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCC[NH2+]C2)O1 258377702 573460367 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CC[NH2+]C[C@@H](O)CCc1nccn1C 126675178 573622211 /nfs/dbraw/zinc/62/22/11/573622211.db2.gz QTUJBPMTQAZGRS-VIFPVBQESA-N 2 0 197.282 0.323 10 0 ACAERP C[NH2+]Cc1coc([C@H]2CC[NH2+]C2)n1 258075421 573622234 /nfs/dbraw/zinc/62/22/34/573622234.db2.gz MDWPHWYQRJPQBZ-ZETCQYMHSA-N 2 0 181.239 0.471 10 0 ACAERP CCCC(C[NH3+])(CCC)[NH2+]CCO 83758174 573625198 /nfs/dbraw/zinc/62/51/98/573625198.db2.gz QBXQHNXCDRZYHF-UHFFFAOYSA-N 2 0 188.315 0.866 10 0 ACAERP CCOCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 308644297 573625256 /nfs/dbraw/zinc/62/52/56/573625256.db2.gz GDYNMAVNMXTXLD-MNOVXSKESA-N 2 0 198.310 0.564 10 0 ACAERP CC[N@H+](C)CCN[C@H]1C[C@H]([NH3+])C1(C)C 405209235 573625261 /nfs/dbraw/zinc/62/52/61/573625261.db2.gz HKQGMPJWSRTIGK-UWVGGRQHSA-N 2 0 199.342 0.654 10 0 ACAERP C[C@H](CN)[NH2+]C[C@H]1CCCO1 83774338 573625321 /nfs/dbraw/zinc/62/53/21/573625321.db2.gz YXJUCIWLSGLFLX-HTQZYQBOSA-N 2 0 158.245 0.102 10 0 ACAERP [NH3+][C@@H]1CC[C@@H](CN[C@H]2CCC[NH2+]2)C1 257834085 573625326 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198.270 0.068 10 0 ACAERP C[C@H](C[NH3+])c1ccnn1[C@H]1CC[NH2+]C1 257834102 573625670 /nfs/dbraw/zinc/62/56/70/573625670.db2.gz KGMDVMOAKLUDLS-BDAKNGLRSA-N 2 0 194.282 0.480 10 0 ACAERP CC1(CN(CC[NH3+])CC[NH3+])CCCC1 308650529 573625678 /nfs/dbraw/zinc/62/56/78/573625678.db2.gz JWPAINYEKSCSKJ-UHFFFAOYSA-N 2 0 199.342 0.786 10 0 ACAERP NC[C@@]1(c2ccc(O)cc2)CC[NH2+]1 258072300 573625708 /nfs/dbraw/zinc/62/57/08/573625708.db2.gz HSOHIMXBJWQPLQ-SNVBAGLBSA-N 2 0 178.235 0.540 10 0 ACAERP C[C@H]1C[N@H+](C)CCCN1CCC[NH3+] 235620706 573625837 /nfs/dbraw/zinc/62/58/37/573625837.db2.gz QGLAUWLEZISMLW-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]Cc1ccn(C)n1 308659555 573627145 /nfs/dbraw/zinc/62/71/45/573627145.db2.gz PDFVESSFFHEERO-SECBINFHSA-N 2 0 196.298 0.637 10 0 ACAERP C[NH2+]CC1([C@@H]([NH3+])C2CCOCC2)CC1 259535514 573627227 /nfs/dbraw/zinc/62/72/27/573627227.db2.gz TVMPONACQGZLTM-JTQLQIEISA-N 2 0 198.310 0.740 10 0 ACAERP Cn1nc(C[C@H]2CCC[NH2+]2)cc1C[NH3+] 259132325 573627229 /nfs/dbraw/zinc/62/72/29/573627229.db2.gz GWKCWKZQAKKZQE-MRVPVSSYSA-N 2 0 194.282 0.173 10 0 ACAERP C[C@H]([NH2+][C@@H]1CCCOC1)C1C[NH2+]C1 686247537 573627508 /nfs/dbraw/zinc/62/75/08/573627508.db2.gz BPFVXXASQKYENT-WCBMZHEXSA-N 2 0 184.283 0.363 10 0 ACAERP C[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 687963903 573627605 /nfs/dbraw/zinc/62/76/05/573627605.db2.gz IJXHDMDLVJHWED-ZNSHCXBVSA-N 2 0 196.294 0.315 10 0 ACAERP C[C@@H]([NH2+][C@@H]1CCCOC1)C1C[NH2+]C1 686247534 573627643 /nfs/dbraw/zinc/62/76/43/573627643.db2.gz BPFVXXASQKYENT-PSASIEDQSA-N 2 0 184.283 0.363 10 0 ACAERP CC(C)[N@H+](CCO)CCC(C)(C)[NH3+] 393543889 573628791 /nfs/dbraw/zinc/62/87/91/573628791.db2.gz AEJUYQBTBLCKRZ-UHFFFAOYSA-N 2 0 188.315 0.817 10 0 ACAERP CC(C)(C)[N@@H+]1CC[C@](O)(C[NH3+])C1 259533097 573628467 /nfs/dbraw/zinc/62/84/67/573628467.db2.gz BEJZUFRCWZUCNP-VIFPVBQESA-N 2 0 172.272 0.180 10 0 ACAERP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1 308649845 573628468 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ACAERP C[NH2+]CCc1cnc([C@H]2CCC[NH2+]2)o1 258072935 573631876 /nfs/dbraw/zinc/63/18/76/573631876.db2.gz MBWBKKCQNPDALS-SECBINFHSA-N 2 0 195.266 0.861 10 0 ACAERP C[NH2+][C@@H](C1CCC1)[C@H]1CC[NH2+]C1 259134045 573631956 /nfs/dbraw/zinc/63/19/56/573631956.db2.gz BSKQXKHWIIPKHD-UWVGGRQHSA-N 2 0 168.284 0.984 10 0 ACAERP C1CNC(NC[C@@H]2CCCC[NH2+]2)=[NH+]C1 257834503 573634371 /nfs/dbraw/zinc/63/43/71/573634371.db2.gz ABBNOOWEHPDKMS-VIFPVBQESA-N 2 0 196.298 0.067 10 0 ACAERP CC(C)(C)O[C@@]1(C[NH3+])CCC[NH2+]C1 259538303 573634406 /nfs/dbraw/zinc/63/44/06/573634406.db2.gz BNLBNJRXNKNZSM-SNVBAGLBSA-N 2 0 186.299 0.882 10 0 ACAERP CC[C@@](C)([NH3+])C[NH2+]C1CC1 86809311 573634520 /nfs/dbraw/zinc/63/45/20/573634520.db2.gz QNKDWGQWDVGJMW-MRVPVSSYSA-N 2 0 142.246 0.866 10 0 ACAERP C[C@H](CCC[NH3+])[N@@H+]1CCC[C@H]1C(N)=O 393667679 573634523 /nfs/dbraw/zinc/63/45/23/573634523.db2.gz FCOYPQZXZAJIOS-BDAKNGLRSA-N 2 0 199.298 0.064 10 0 ACAERP CC[NH+]1CCC([C@H]2[NH2+]CCO2)CC1 258073508 573634577 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[NH3+][C@@H]1C=C[C@H](C[NH2+]CC(F)F)C1 147815310 573871824 /nfs/dbraw/zinc/87/18/24/573871824.db2.gz UDIQKIYWMZULKI-NKWVEPMBSA-N 2 0 176.210 0.745 10 0 ACAERP C[NH2+][C@H](C)CCN(C)CCOC 43915613 573872260 /nfs/dbraw/zinc/87/22/60/573872260.db2.gz GLFSZQGXJZZTQI-SECBINFHSA-N 2 0 174.288 0.563 10 0 ACAERP CC[NH2+][C@@H](C)[C@@H](C)N(C)CCOC 43916172 573872270 /nfs/dbraw/zinc/87/22/70/573872270.db2.gz OMONZGWHRDXROD-VHSXEESVSA-N 2 0 188.315 0.951 10 0 ACAERP N[C@@H](C[NH2+]C1CCCC1)[C@@H]1CC[NH2+]C1 258169439 573872293 /nfs/dbraw/zinc/87/22/93/573872293.db2.gz NWDJLVWUICIIQS-KOLCDFICSA-N 2 0 197.326 0.455 10 0 ACAERP C[NH2+][C@@H]([C@H]1CN(C)CCN1)C(C)(C)C 259215057 573872336 /nfs/dbraw/zinc/87/23/36/573872336.db2.gz FXHCRQUSMQWJCY-ZJUUUORDSA-N 2 0 199.342 0.524 10 0 ACAERP C[NH2+][C@@H](C)[C@H](C)N(C)CCOC 43915673 573872354 /nfs/dbraw/zinc/87/23/54/573872354.db2.gz YTPLSTYMOKNYGE-IUCAKERBSA-N 2 0 174.288 0.561 10 0 ACAERP C[NH2+][C@H](C)[C@@H](C)N(C)CCOC 43915670 573872431 /nfs/dbraw/zinc/87/24/31/573872431.db2.gz YTPLSTYMOKNYGE-RKDXNWHRSA-N 2 0 174.288 0.561 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@H](N)C2([NH3+])CC2)C1 259624550 573872637 /nfs/dbraw/zinc/87/26/37/573872637.db2.gz YBNIYHBRSFSMAT-BDAKNGLRSA-N 2 0 183.299 0.147 10 0 ACAERP CC[C@@H]([NH2+]C)[C@@H](C)N(C)CCOC 43915301 573872652 /nfs/dbraw/zinc/87/26/52/573872652.db2.gz DRTYNLZENYTUGK-NXEZZACHSA-N 2 0 188.315 0.951 10 0 ACAERP CN(CO)C[C@@H]1CCC[N@H+](C)C1 258978210 573872698 /nfs/dbraw/zinc/87/26/98/573872698.db2.gz WEGSSALPDNZZAG-SECBINFHSA-N 2 0 172.272 0.210 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H](N)C2([NH3+])CC2)C1 259624551 573872792 /nfs/dbraw/zinc/87/27/92/573872792.db2.gz YBNIYHBRSFSMAT-DTWKUNHWSA-N 2 0 183.299 0.147 10 0 ACAERP CCN(CC(N)=[NH2+])CC(C)C 101496513 573872842 /nfs/dbraw/zinc/87/28/42/573872842.db2.gz SZBNWQJZKKQWFN-UHFFFAOYSA-N 2 0 157.261 0.900 10 0 ACAERP N[C@H](C[NH2+]C1CCCC1)[C@H]1CC[NH2+]C1 258169434 573872847 /nfs/dbraw/zinc/87/28/47/573872847.db2.gz NWDJLVWUICIIQS-GXSJLCMTSA-N 2 0 197.326 0.455 10 0 ACAERP C[NH+]1CCC([C@@]2(C)CNCC[NH2+]2)CC1 258978730 573872862 /nfs/dbraw/zinc/87/28/62/573872862.db2.gz DSYLTVBPYJJPPY-LLVKDONJSA-N 2 0 197.326 0.280 10 0 ACAERP C[NH2+]CCCN(C)[C@@H]1C[C@@H](C)[N@H+](C)C1 127390757 573872870 /nfs/dbraw/zinc/87/28/70/573872870.db2.gz VALAETKWVVIKOJ-GHMZBOCLSA-N 2 0 199.342 0.620 10 0 ACAERP N[C@@H](C[NH2+]C1CCCC1)[C@H]1CC[NH2+]C1 258169445 573872968 /nfs/dbraw/zinc/87/29/68/573872968.db2.gz NWDJLVWUICIIQS-ONGXEEELSA-N 2 0 197.326 0.455 10 0 ACAERP CC[NH2+][C@@H](C)CCN(C)CCOC 43916114 573872214 /nfs/dbraw/zinc/87/22/14/573872214.db2.gz IUHWRPFXQFDKMG-JTQLQIEISA-N 2 0 188.315 0.953 10 0 ACAERP C[NH2+]CCc1[nH+]cc2cc(O)ccn12 258441304 573873809 /nfs/dbraw/zinc/87/38/09/573873809.db2.gz FHLJUXVYABUNCK-UHFFFAOYSA-N 2 0 191.234 0.802 10 0 ACAERP CCCN(C)[C@@H]1COCC[C@@H]1[NH2+]C 43886001 573873818 /nfs/dbraw/zinc/87/38/18/573873818.db2.gz OZQJJXCDUGEXFF-VHSXEESVSA-N 2 0 186.299 0.705 10 0 ACAERP C[NH2+]C(C)(C)CNC[C@@H]1CC[N@H+](C)C1 258978667 573873918 /nfs/dbraw/zinc/87/39/18/573873918.db2.gz XUSLZTRULKQTJR-JTQLQIEISA-N 2 0 199.342 0.526 10 0 ACAERP C[NH2+]CCCN(C)[C@H]1C[C@@H](C)[N@H+](C)C1 127390312 573873988 /nfs/dbraw/zinc/87/39/88/573873988.db2.gz VALAETKWVVIKOJ-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP C[C@H](CCO)[NH+]1CCC(C[NH3+])CC1 215004892 573874006 /nfs/dbraw/zinc/87/40/06/573874006.db2.gz IFAOYENOKLBSGZ-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP CC[NH2+][C@@H](C)CN(C)[C@@H](C)COC 43969217 573874017 /nfs/dbraw/zinc/87/40/17/573874017.db2.gz MAPHIRWJRMPSMC-UWVGGRQHSA-N 2 0 188.315 0.951 10 0 ACAERP C[NH2+][C@@H]1CCC[C@H]1N(C)CCOC 43915258 573874156 /nfs/dbraw/zinc/87/41/56/573874156.db2.gz SMBJQBUXOYPABB-NXEZZACHSA-N 2 0 186.299 0.705 10 0 ACAERP CCC[NH2+][C@@H](C)CN(C)CCOC 43916334 573874174 /nfs/dbraw/zinc/87/41/74/573874174.db2.gz BGERXVQHLCBYJA-JTQLQIEISA-N 2 0 188.315 0.953 10 0 ACAERP C[NH2+][C@H]1CCC[C@@H]1N(C)CCOC 43915255 573874199 /nfs/dbraw/zinc/87/41/99/573874199.db2.gz SMBJQBUXOYPABB-UWVGGRQHSA-N 2 0 186.299 0.705 10 0 ACAERP CCN(CCOC)C[C@@H](C)[NH2+]C 43968515 573874293 /nfs/dbraw/zinc/87/42/93/573874293.db2.gz CSGMVFWIXXYSSQ-SECBINFHSA-N 2 0 174.288 0.563 10 0 ACAERP C[C@]1(O)CCN(C[C@@H]2CCCC[NH2+]2)C1 235757786 573874317 /nfs/dbraw/zinc/87/43/17/573874317.db2.gz AXALRAYAIIYOIJ-QWRGUYRKSA-N 2 0 198.310 0.585 10 0 ACAERP C[NH+]1CCC([C@]2(C)CNCC[NH2+]2)CC1 258978735 573874420 /nfs/dbraw/zinc/87/44/20/573874420.db2.gz DSYLTVBPYJJPPY-NSHDSACASA-N 2 0 197.326 0.280 10 0 ACAERP C[N@@H+]1CC[C@H](CC[NH2+]CCCO)C1 258978358 573874493 /nfs/dbraw/zinc/87/44/93/573874493.db2.gz KXUFCIKBUKUBCG-JTQLQIEISA-N 2 0 186.299 0.300 10 0 ACAERP CN1CC[NH2+][C@@H](C[C@H]2CC[N@H+](C)C2)C1 259215141 573874547 /nfs/dbraw/zinc/87/45/47/573874547.db2.gz TUWVLEAPPHHQPB-MNOVXSKESA-N 2 0 197.326 0.232 10 0 ACAERP CCCN(C)[C@H]1COCC[C@@H]1[NH2+]C 43886002 573874570 /nfs/dbraw/zinc/87/45/70/573874570.db2.gz OZQJJXCDUGEXFF-UWVGGRQHSA-N 2 0 186.299 0.705 10 0 ACAERP CC[C@H]([NH2+]C)[C@H](C)N(C)CCOC 43915304 573875687 /nfs/dbraw/zinc/87/56/87/573875687.db2.gz DRTYNLZENYTUGK-UWVGGRQHSA-N 2 0 188.315 0.951 10 0 ACAERP CCCN(C)CC(N)=[NH2+] 101493438 573874821 /nfs/dbraw/zinc/87/48/21/573874821.db2.gz WHBSBLWHBCVISN-UHFFFAOYSA-N 2 0 129.207 0.264 10 0 ACAERP C[NH2+][C@@H]([C@@H]1CN(C)CCN1)C(C)(C)C 259215054 573874916 /nfs/dbraw/zinc/87/49/16/573874916.db2.gz FXHCRQUSMQWJCY-UWVGGRQHSA-N 2 0 199.342 0.524 10 0 ACAERP C1C[C@H](CC[NH2+]C2CCOCC2)C[NH2+]1 258978204 573874931 /nfs/dbraw/zinc/87/49/31/573874931.db2.gz KRYOAXKKVYUUJK-SNVBAGLBSA-N 2 0 198.310 0.755 10 0 ACAERP CC(C)[C@H]([NH3+])CSC(N)=[NH2+] 238164904 573875030 /nfs/dbraw/zinc/87/50/30/573875030.db2.gz NHOYYCNTYFVOKE-RXMQYKEDSA-N 2 0 161.274 0.596 10 0 ACAERP C[NH2+][C@H](C)CN(C)CCOC 43915383 573875039 /nfs/dbraw/zinc/87/50/39/573875039.db2.gz HGUHEOLPTNUXOO-MRVPVSSYSA-N 2 0 160.261 0.173 10 0 ACAERP N[C@H](C[NH2+]C1CCCC1)[C@@H]1CC[NH2+]C1 258169443 573875177 /nfs/dbraw/zinc/87/51/77/573875177.db2.gz NWDJLVWUICIIQS-MWLCHTKSSA-N 2 0 197.326 0.455 10 0 ACAERP CC(C)CN(C)CC(N)=[NH2+] 101494433 573875186 /nfs/dbraw/zinc/87/51/86/573875186.db2.gz VXWAFMYHBIFYNS-UHFFFAOYSA-N 2 0 143.234 0.510 10 0 ACAERP CCN(CCOC)C[C@H](C)[NH2+]C 43968516 573875297 /nfs/dbraw/zinc/87/52/97/573875297.db2.gz CSGMVFWIXXYSSQ-VIFPVBQESA-N 2 0 174.288 0.563 10 0 ACAERP C[C@@H](CCO)[NH+]1CCC(C[NH3+])CC1 215004847 573875485 /nfs/dbraw/zinc/87/54/85/573875485.db2.gz IFAOYENOKLBSGZ-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP C[C@]1(O)CC[N@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 235757960 573875510 /nfs/dbraw/zinc/87/55/10/573875510.db2.gz UKAWIUUNBUSJMQ-DCAQKATOSA-N 2 0 198.310 0.571 10 0 ACAERP C[NH2+][C@H](C)[C@H](C)N(C)[C@@H](C)COC 43969157 573875567 /nfs/dbraw/zinc/87/55/67/573875567.db2.gz YUDJCTHYQPZHFA-AEJSXWLSSA-N 2 0 188.315 0.950 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH2+]CCCC[NH3+])C1 258982721 573877177 /nfs/dbraw/zinc/87/71/77/573877177.db2.gz VCFCQUSKIGFRLI-JTQLQIEISA-N 3 0 185.315 0.267 10 0 ACAERP C1C[NH+](C2CC2)CCC1NC1C[NH2+]C1 84418090 573877223 /nfs/dbraw/zinc/87/72/23/573877223.db2.gz GYOPCPRZFWTFFK-UHFFFAOYSA-N 2 0 195.310 0.175 10 0 ACAERP CN1CC[NH2+]C[C@@H]1CC[NH2+]C1CCC1 258981938 573877343 /nfs/dbraw/zinc/87/73/43/573877343.db2.gz URKWRRRRGSXVOP-NSHDSACASA-N 2 0 197.326 0.422 10 0 ACAERP C[C@@H](CC[NH3+])[C@@H]([NH3+])c1cc[nH]c1 259218477 573877414 /nfs/dbraw/zinc/87/74/14/573877414.db2.gz GSQBXOIYUQOMOP-IONNQARKSA-N 2 0 167.256 0.999 10 0 ACAERP CN(CC1(C[NH3+])CC1)[C@H]1CC[N@H+](C)C1 258980420 573877462 /nfs/dbraw/zinc/87/74/62/573877462.db2.gz UOGJTVHAIVVHJB-JTQLQIEISA-N 2 0 197.326 0.361 10 0 ACAERP C[C@@H](CCO)[N@@H+]1CCC[C@H](C[NH3+])C1 215004955 573877709 /nfs/dbraw/zinc/87/77/09/573877709.db2.gz KQBHRFJOAIWSHX-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP C[NH2+]C[C@@]1(OC)CCC[N@H+](C)CC1 257892550 573879229 /nfs/dbraw/zinc/87/92/29/573879229.db2.gz NRHKHTNEIMBKJX-SNVBAGLBSA-N 2 0 186.299 0.707 10 0 ACAERP [NH3+]Cc1ccc([C@@]2(O)CC[NH2+]C2)cc1 257891823 573879300 /nfs/dbraw/zinc/87/93/00/573879300.db2.gz XGIMOBFFEXWGIE-LLVKDONJSA-N 2 0 192.262 0.326 10 0 ACAERP C[NH2+]CNCC1CC[NH+](C)CC1 258980361 573879303 /nfs/dbraw/zinc/87/93/03/573879303.db2.gz XXWMKCSSRKILPC-UHFFFAOYSA-N 2 0 171.288 0.095 10 0 ACAERP C[C@@H]1CCCN(C)C[C@@H]1[NH3+] 76575675 573879344 /nfs/dbraw/zinc/87/93/44/573879344.db2.gz MTPLKKVTKLTENA-SFYZADRCSA-N 2 0 142.246 0.675 10 0 ACAERP C[N@@H+]1CC[C@@]2(C[C@@H]2[NH3+])C1 76571465 573879554 /nfs/dbraw/zinc/87/95/54/573879554.db2.gz LECHHXWINAQAMT-NKWVEPMBSA-N 2 0 126.203 0.039 10 0 ACAERP CC[C@]1([NH3+])CCCN(C)C1 76575710 573879582 /nfs/dbraw/zinc/87/95/82/573879582.db2.gz GIURNIFAMNWHJF-QMMMGPOBSA-N 2 0 142.246 0.820 10 0 ACAERP CC[N@@H+]1CCC[C@@H](NC2C[NH2+]C2)C1 84418521 573879612 /nfs/dbraw/zinc/87/96/12/573879612.db2.gz TYPDEEBOYTVPMC-SECBINFHSA-N 2 0 183.299 0.032 10 0 ACAERP [NH3+][C@@H](c1cc[nH]c1)[C@@H]1CC[NH2+]C1 259218594 573879614 /nfs/dbraw/zinc/87/96/14/573879614.db2.gz GUPNGRFPEKJOOO-BDAKNGLRSA-N 2 0 165.240 0.624 10 0 ACAERP C1CC[N@H+]2CC[C@@H](NC3C[NH2+]C3)[C@@H]2C1 84417421 573879808 /nfs/dbraw/zinc/87/98/08/573879808.db2.gz XZMHLAAQEHSVNE-MNOVXSKESA-N 2 0 195.310 0.175 10 0 ACAERP CC(C)(CC[NH3+])[NH2+]C[C@@H]1CCCO1 258981375 573879857 /nfs/dbraw/zinc/87/98/57/573879857.db2.gz OQPUEXJGKPTNLD-VIFPVBQESA-N 2 0 186.299 0.882 10 0 ACAERP C[NH2+]C[C@]1(OC)CCC[N@H+](C)CC1 257892549 573879880 /nfs/dbraw/zinc/87/98/80/573879880.db2.gz NRHKHTNEIMBKJX-JTQLQIEISA-N 2 0 186.299 0.707 10 0 ACAERP C[NH2+][C@H](Cc1ccco1)CN(C)C 131581419 573880421 /nfs/dbraw/zinc/88/04/21/573880421.db2.gz IUAWVZFNWDXQCC-SECBINFHSA-N 2 0 182.267 0.972 10 0 ACAERP [NH3+]CC[C@H]([NH3+])c1cc[nH]c1 259218487 573880678 /nfs/dbraw/zinc/88/06/78/573880678.db2.gz GSRIOPDVDDVIFR-ZETCQYMHSA-N 2 0 139.202 0.363 10 0 ACAERP C[NH2+][C@@H](Cc1ccoc1)CN(C)C 131580789 573880704 /nfs/dbraw/zinc/88/07/04/573880704.db2.gz MBTKXPBQJYPUDG-JTQLQIEISA-N 2 0 182.267 0.972 10 0 ACAERP CC[NH+]1CCC(NC2C[NH2+]C2)CC1 84418513 573880947 /nfs/dbraw/zinc/88/09/47/573880947.db2.gz KIJACASTJLFJHL-UHFFFAOYSA-N 2 0 183.299 0.032 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH2+]CCCC[NH3+])C1 258982723 573881023 /nfs/dbraw/zinc/88/10/23/573881023.db2.gz VCFCQUSKIGFRLI-SNVBAGLBSA-N 3 0 185.315 0.267 10 0 ACAERP C[N@@H+]1CC[C@]2(C[C@@H]2[NH3+])C1 76571461 573881071 /nfs/dbraw/zinc/88/10/71/573881071.db2.gz LECHHXWINAQAMT-BQBZGAKWSA-N 2 0 126.203 0.039 10 0 ACAERP [NH3+]Cc1ccc([C@]2(O)CC[NH2+]C2)cc1 257891827 573881117 /nfs/dbraw/zinc/88/11/17/573881117.db2.gz XGIMOBFFEXWGIE-NSHDSACASA-N 2 0 192.262 0.326 10 0 ACAERP C[N@@H+]1CC[C@H](C2CC([NH3+])C2)C1 259219227 573883407 /nfs/dbraw/zinc/88/34/07/573883407.db2.gz LWXHEBBGCLOTBS-UEJVZZJDSA-N 2 0 154.257 0.675 10 0 ACAERP C[C@@H](C[NH3+])CC[N@H+](C)[C@@H]1CCN(C)C1 258984852 573883445 /nfs/dbraw/zinc/88/34/45/573883445.db2.gz VGGZTJOGIMZDRI-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 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C[C@H](C[NH3+])[C@@]1(F)CC[N@H+](C)C1 258450273 573904309 /nfs/dbraw/zinc/90/43/09/573904309.db2.gz FXYQYFIHPCZUPH-HTQZYQBOSA-N 2 0 160.236 0.625 10 0 ACAERP C[NH2+][C@@H](C1CCOCC1)C1(C[NH3+])CC1 259225364 573904341 /nfs/dbraw/zinc/90/43/41/573904341.db2.gz GHMRCZODNYESLT-JTQLQIEISA-N 2 0 198.310 0.740 10 0 ACAERP CC(C)CC[N@H+](C)C[C@@H](O)CC[NH3+] 259230588 573904359 /nfs/dbraw/zinc/90/43/59/573904359.db2.gz NDCYBYPVYKPTMM-JTQLQIEISA-N 2 0 188.315 0.674 10 0 ACAERP [NH3+][C@@H]1CCc2cnccc2C1 258445942 573904415 /nfs/dbraw/zinc/90/44/15/573904415.db2.gz FNBKVOMDUKRKAG-SECBINFHSA-N 2 0 148.209 0.898 10 0 ACAERP CC[NH+](CC)C[C@]1(O)CC[C@@H]([NH3+])C1 257903984 573904599 /nfs/dbraw/zinc/90/45/99/573904599.db2.gz PKIPPSBAUWXWHC-ZJUUUORDSA-N 2 0 186.299 0.571 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]2C[NH2+]CC[C@H]2O)C1 258178278 573904603 /nfs/dbraw/zinc/90/46/03/573904603.db2.gz UWJDZJBNZRWHFQ-GARJFASQSA-N 2 0 198.310 0.299 10 0 ACAERP [NH3+][C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCNC2)C1 257903950 573904664 /nfs/dbraw/zinc/90/46/64/573904664.db2.gz ZBYYTOWTWSDOEA-GMTAPVOTSA-N 3 0 197.326 0.455 10 0 ACAERP CC[C@H](C[NH3+])CNC[C@H]1CC[N@H+](C)C1 258998075 573904763 /nfs/dbraw/zinc/90/47/63/573904763.db2.gz NNTPQUKBSSTXIJ-GHMZBOCLSA-N 2 0 199.342 0.513 10 0 ACAERP CC[NH+](CC)C[C@]1(O)CC[C@H]([NH3+])C1 257903975 573904879 /nfs/dbraw/zinc/90/48/79/573904879.db2.gz PKIPPSBAUWXWHC-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP C[NH+](C)C[C@@]1(F)CC[C@H]([NH3+])C1 258450178 573906900 /nfs/dbraw/zinc/90/69/00/573906900.db2.gz FSEQANURTJQCOL-JGVFFNPUSA-N 2 0 160.236 0.768 10 0 ACAERP [NH3+]CCC1(N2CC[NH2+]CC2)CCCC1 258178247 573906078 /nfs/dbraw/zinc/90/60/78/573906078.db2.gz UURBPAFBWGATCQ-UHFFFAOYSA-N 2 0 197.326 0.553 10 0 ACAERP COCCN(C)[C@H]1C[NH2+]C[C@H]1C 147576141 573906080 /nfs/dbraw/zinc/90/60/80/573906080.db2.gz PVXPKMGTQDEHFJ-BDAKNGLRSA-N 2 0 172.272 0.173 10 0 ACAERP CO[C@@](C)(C[NH3+])[C@H]1CCC[N@H+](C)C1 257904063 573906091 /nfs/dbraw/zinc/90/60/91/573906091.db2.gz PKVGWYONWWBPJD-UWVGGRQHSA-N 2 0 186.299 0.692 10 0 ACAERP CC(C)C(C)(C)C[NH2+]C[C@@H](N)C[NH3+] 259232436 573906110 /nfs/dbraw/zinc/90/61/10/573906110.db2.gz YAKLGMBYCNPNPM-VIFPVBQESA-N 2 0 187.331 0.544 10 0 ACAERP Cn1cncc1CC(=O)[C@H]1C[C@H]1C[NH3+] 715192801 573906133 /nfs/dbraw/zinc/90/61/33/573906133.db2.gz DEFFZBYVVAIWFX-CBAPKCEASA-N 2 0 193.250 0.127 10 0 ACAERP CC1(C)O[C@](C)(C[NH3+])[C@@](C)(C[NH3+])O1 238191455 573906179 /nfs/dbraw/zinc/90/61/79/573906179.db2.gz LXFVINMQHNVORS-RKDXNWHRSA-N 2 0 188.271 0.204 10 0 ACAERP C1C[NH2+]C[C@H](CN[C@@H]2CCC[NH2+]2)C1 257903918 573906335 /nfs/dbraw/zinc/90/63/35/573906335.db2.gz PJXQQSPWLSOZCR-NXEZZACHSA-N 2 0 183.299 0.285 10 0 ACAERP C[NH2+]CC[C@@H](F)[C@H]1CC[N@H+](C)C1 257903840 573906369 /nfs/dbraw/zinc/90/63/69/573906369.db2.gz PIRZCZZYCNLGDC-DTWKUNHWSA-N 2 0 174.263 0.886 10 0 ACAERP C[N@@H+]1CC[C@@H](CNCC2([NH3+])CC2)C1 259000356 573906423 /nfs/dbraw/zinc/90/64/23/573906423.db2.gz FCNZJTRMIQKMJE-VIFPVBQESA-N 2 0 183.299 0.019 10 0 ACAERP CCCN(CC[NH3+])CC[NH+](C)C 44376571 573906462 /nfs/dbraw/zinc/90/64/62/573906462.db2.gz NVNWMALXEQDRJP-UHFFFAOYSA-N 2 0 173.304 0.219 10 0 ACAERP CO[C@@](C)(C[NH3+])[C@@H]1CCC[N@H+](C)C1 257904071 573906686 /nfs/dbraw/zinc/90/66/86/573906686.db2.gz PKVGWYONWWBPJD-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH+](C)C[C@]1(F)CC[C@H]([NH3+])C1 258450181 573906760 /nfs/dbraw/zinc/90/67/60/573906760.db2.gz FSEQANURTJQCOL-YUMQZZPRSA-N 2 0 160.236 0.768 10 0 ACAERP C[N@@H+]1CC[C@H](CNCC2([NH3+])CC2)C1 259000353 573906770 /nfs/dbraw/zinc/90/67/70/573906770.db2.gz FCNZJTRMIQKMJE-SECBINFHSA-N 2 0 183.299 0.019 10 0 ACAERP Cn1cncc1CC(=O)[C@@H]1C[C@H]1C[NH3+] 715192802 573906771 /nfs/dbraw/zinc/90/67/71/573906771.db2.gz DEFFZBYVVAIWFX-IONNQARKSA-N 2 0 193.250 0.127 10 0 ACAERP CO[C@](C)(C[NH3+])[C@H]1CCC[N@H+](C)C1 257904066 573906791 /nfs/dbraw/zinc/90/67/91/573906791.db2.gz PKVGWYONWWBPJD-VHSXEESVSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH+](C)C[C@@]1(F)CC[C@@H]([NH3+])C1 258450176 573906820 /nfs/dbraw/zinc/90/68/20/573906820.db2.gz FSEQANURTJQCOL-HTQZYQBOSA-N 2 0 160.236 0.768 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]2C[NH2+]CC[C@@H]2O)C1 258178277 573906825 /nfs/dbraw/zinc/90/68/25/573906825.db2.gz UWJDZJBNZRWHFQ-DCAQKATOSA-N 2 0 198.310 0.299 10 0 ACAERP C[NH+](C)CCS[C@@H]1CC[NH2+]C1 87417192 573906856 /nfs/dbraw/zinc/90/68/56/573906856.db2.gz RPVGBJFJXUIZGD-MRVPVSSYSA-N 2 0 174.313 0.643 10 0 ACAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCNC2)C1 257903947 573906863 /nfs/dbraw/zinc/90/68/63/573906863.db2.gz ZBYYTOWTWSDOEA-AXFHLTTASA-N 2 0 197.326 0.455 10 0 ACAERP C[NH+](C)CCSC1C[NH2+]C1 87417170 573906866 /nfs/dbraw/zinc/90/68/66/573906866.db2.gz HHZALGIWGVQTOF-UHFFFAOYSA-N 2 0 160.286 0.253 10 0 ACAERP C[C@@H]1COCC2(CC[NH+](C)CC2)N1 76629530 573908382 /nfs/dbraw/zinc/90/83/82/573908382.db2.gz HXTGEVIOYPXYIK-SECBINFHSA-N 2 0 184.283 0.459 10 0 ACAERP CCC[NH2+]CCN(C)[C@@H](C)COC 44384573 573908444 /nfs/dbraw/zinc/90/84/44/573908444.db2.gz IKEZFLQOJZIHOJ-JTQLQIEISA-N 2 0 188.315 0.953 10 0 ACAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)C1CCC1 127545787 573908450 /nfs/dbraw/zinc/90/84/50/573908450.db2.gz SRIMQJPPOCPTNK-LLVKDONJSA-N 2 0 198.310 0.849 10 0 ACAERP C[N@@H+]1CCC[C@]2(CC1)C[NH2+]CCO2 76629284 573908473 /nfs/dbraw/zinc/90/84/73/573908473.db2.gz MUQNKGSTLNYLIK-JTQLQIEISA-N 2 0 184.283 0.461 10 0 ACAERP C[NH2+][C@@H](C)CCCN1CC[NH2+]CC1 259233276 573908586 /nfs/dbraw/zinc/90/85/86/573908586.db2.gz GNWRTWRIAPFXFR-JTQLQIEISA-N 2 0 185.315 0.280 10 0 ACAERP C[N@@H+]1CCC(C)(C)[C@@H](C[NH3+])[C@@H](O)C1 76631927 573908822 /nfs/dbraw/zinc/90/88/22/573908822.db2.gz FTZMRCUSLBSBPR-IUCAKERBSA-N 2 0 186.299 0.284 10 0 ACAERP CCC[NH+]1CCN(CC[NH2+]CC)CC1 44380398 573908834 /nfs/dbraw/zinc/90/88/34/573908834.db2.gz HCJNVBXWMHCNQR-UHFFFAOYSA-N 2 0 199.342 0.624 10 0 ACAERP C[NH2+][C@@H](C)CN1CC[NH+](C2CC2)CC1 44472319 573908851 /nfs/dbraw/zinc/90/88/51/573908851.db2.gz IIBDUGWRCLNXRG-JTQLQIEISA-N 2 0 197.326 0.374 10 0 ACAERP C[C@H]1C[C@]2(CC[N@@H+]1C)C[NH2+]CCO2 76629306 573908883 /nfs/dbraw/zinc/90/88/83/573908883.db2.gz GSKVZIICXWDHGW-VHSXEESVSA-N 2 0 184.283 0.459 10 0 ACAERP CC[C@@](O)(C[NH3+])[C@@H]1CCCC[NH2+]1 123046210 573908992 /nfs/dbraw/zinc/90/89/92/573908992.db2.gz ZIJUJGRKHWBGTK-DTWKUNHWSA-N 2 0 172.272 0.228 10 0 ACAERP COCC[C@@H]([NH3+])C[N@H+](C)C1CCC1 127550899 573909097 /nfs/dbraw/zinc/90/90/97/573909097.db2.gz MVZVTJNJTMENCG-SECBINFHSA-N 2 0 186.299 0.835 10 0 ACAERP C[C@H]1C[C@@]2(CC[N@@H+]1C)C[NH2+]CCO2 76629297 573909100 /nfs/dbraw/zinc/90/91/00/573909100.db2.gz GSKVZIICXWDHGW-UWVGGRQHSA-N 2 0 184.283 0.459 10 0 ACAERP CCC[NH2+]C[C@@]1(F)CC[NH2+]C1 258454908 573909201 /nfs/dbraw/zinc/90/92/01/573909201.db2.gz GKDNIDXCKRARDO-QMMMGPOBSA-N 2 0 160.236 0.688 10 0 ACAERP C[NH+](C)CCCN1C[C@@H]([NH3+])CC1(C)C 259228649 573909211 /nfs/dbraw/zinc/90/92/11/573909211.db2.gz DFYPHMUNIQXYNW-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP C[NH2+][C@@H](C1CC[NH+](C)CC1)[C@H](C)[NH3+] 259580314 573909876 /nfs/dbraw/zinc/90/98/76/573909876.db2.gz 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CCCN(CC[NH2+]C)CC[NH+](C)C 44412532 573910319 /nfs/dbraw/zinc/91/03/19/573910319.db2.gz ABSWQUOFKAPXGL-UHFFFAOYSA-N 2 0 187.331 0.479 10 0 ACAERP CO[C@H](CC[NH3+])[C@H]1CCC[N@H+](C)C1 257896750 573910430 /nfs/dbraw/zinc/91/04/30/573910430.db2.gz OHEULLFNJDVPHH-VHSXEESVSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH2+][C@H](C)CCCN1CC[NH2+]CC1 259233279 573910474 /nfs/dbraw/zinc/91/04/74/573910474.db2.gz GNWRTWRIAPFXFR-SNVBAGLBSA-N 2 0 185.315 0.280 10 0 ACAERP C[N@@H+]1CCC[C@@H](CC(=O)C[NH3+])CC1 76629327 573910505 /nfs/dbraw/zinc/91/05/05/573910505.db2.gz KHLNLMUUOUZDHP-SECBINFHSA-N 2 0 184.283 0.636 10 0 ACAERP CC[N@@H+]1CCC[C@@H]1C1([NH3+])CC1 258179002 573910559 /nfs/dbraw/zinc/91/05/59/573910559.db2.gz XZBZXOYJYVUTCM-MRVPVSSYSA-N 2 0 154.257 0.962 10 0 ACAERP CCC[NH2+]CCN1CCC[N@H+](C)CC1 44380545 573910795 /nfs/dbraw/zinc/91/07/95/573910795.db2.gz RFNSVFVWUCNTSL-UHFFFAOYSA-N 2 0 199.342 0.624 10 0 ACAERP C[NH2+]C[C@@H](C[NH3+])C1CC1 258454402 573910961 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KLQMIBWTZLXXLK-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP COCC[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C 42427302 573954050 /nfs/dbraw/zinc/95/40/50/573954050.db2.gz NNNIKLJRFMOIBY-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP CN(C)CC[NH+]1CCC(CC[NH3+])CC1 42427609 573955310 /nfs/dbraw/zinc/95/53/10/573955310.db2.gz FSGJYUAJVUHTQS-UHFFFAOYSA-N 2 0 199.342 0.609 10 0 ACAERP CCOC1CC([NH2+][C@H](C)C2C[NH2+]C2)C1 686251488 573954545 /nfs/dbraw/zinc/95/45/45/573954545.db2.gz NANPQTCOUTVOIR-MFAVDMRSSA-N 2 0 198.310 0.751 10 0 ACAERP [NH3+]CCCCCC[N@@H+]1CC[C@@H](O)C1 238558240 573954670 /nfs/dbraw/zinc/95/46/70/573954670.db2.gz ZIXDZUMLXASICP-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP C[NH+](C)C1([C@H]2CC[NH2+]C2)CC1 259249937 573954699 /nfs/dbraw/zinc/95/46/99/573954699.db2.gz LCUQBMGLFQIPIB-QMMMGPOBSA-N 2 0 154.257 0.690 10 0 ACAERP CCN(CC[NH+](C)C)C[C@H](C)C[NH3+] 42443581 573954808 /nfs/dbraw/zinc/95/48/08/573954808.db2.gz HHBPYXVUNPFRHD-SNVBAGLBSA-N 2 0 187.331 0.465 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1N1CC[N@H+](C)[C@H](C)C1 123188407 573954882 /nfs/dbraw/zinc/95/48/82/573954882.db2.gz SEPHCPDZYBNTKA-GMTAPVOTSA-N 2 0 197.326 0.230 10 0 ACAERP C[C@@H](COCC[NH3+])[N@@H+]1CC[C@@H](F)C1 689829861 573954914 /nfs/dbraw/zinc/95/49/14/573954914.db2.gz QAILRJKTUGSGNZ-DTWKUNHWSA-N 2 0 190.262 0.394 10 0 ACAERP CC[N@H+](CCCOC)C[C@@H](C)C[NH3+] 42443070 573954926 /nfs/dbraw/zinc/95/49/26/573954926.db2.gz YCOVENUMELJZEP-JTQLQIEISA-N 2 0 188.315 0.940 10 0 ACAERP C[NH2+][C@H](C)[C@H](C[NH3+])C(C)C 259250368 573954996 /nfs/dbraw/zinc/95/49/96/573954996.db2.gz NRKCVKPTIRKRNG-HTQZYQBOSA-N 2 0 144.262 0.825 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@](C)(F)C[NH3+])C1 258461983 573955018 /nfs/dbraw/zinc/95/50/18/573955018.db2.gz HEECORQAVYUUFP-SFYZADRCSA-N 2 0 160.236 0.625 10 0 ACAERP C[C@H]([NH2+][C@H]1CCC[C@H]1CO)C1C[NH2+]C1 686251497 573955069 /nfs/dbraw/zinc/95/50/69/573955069.db2.gz NBNMENNBPGYUSM-QXEWZRGKSA-N 2 0 198.310 0.345 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@](C)(F)C[NH3+])C1 258461986 573955112 /nfs/dbraw/zinc/95/51/12/573955112.db2.gz HEECORQAVYUUFP-YUMQZZPRSA-N 2 0 160.236 0.625 10 0 ACAERP C[N@H+]1CC=C([C@@H](F)C[NH3+])CC1 258462078 573955149 /nfs/dbraw/zinc/95/51/49/573955149.db2.gz HGMCDNKXACYFBA-QMMMGPOBSA-N 2 0 158.220 0.545 10 0 ACAERP C[NH2+][C@@H](C)[C@H](C[NH3+])C(C)C 259250369 573955155 /nfs/dbraw/zinc/95/51/55/573955155.db2.gz NRKCVKPTIRKRNG-JGVFFNPUSA-N 2 0 144.262 0.825 10 0 ACAERP C[N@H+]1CC=C([C@H](F)C[NH3+])CC1 258462075 573955196 /nfs/dbraw/zinc/95/51/96/573955196.db2.gz HGMCDNKXACYFBA-MRVPVSSYSA-N 2 0 158.220 0.545 10 0 ACAERP C[C@@H](C[NH3+])[C@]1(F)CCC[NH2+]C1 257911570 573955220 /nfs/dbraw/zinc/95/52/20/573955220.db2.gz AMDVWOZQASWNPD-YUMQZZPRSA-N 2 0 160.236 0.673 10 0 ACAERP CCC1CC[NH+](C[C@@H](O)C[NH3+])CC1 42446572 573955241 /nfs/dbraw/zinc/95/52/41/573955241.db2.gz UVCSZFXZMYNWGM-JTQLQIEISA-N 2 0 186.299 0.428 10 0 ACAERP CCC[N@H+](CCO)[C@@H](C)CC(N)=[NH2+] 42452862 573957183 /nfs/dbraw/zinc/95/71/83/573957183.db2.gz RRDSGFSUSKWUDY-QMMMGPOBSA-N 2 0 187.287 0.405 10 0 ACAERP CCC[N@H+](CCO)[C@@H](C)CC[NH3+] 42452600 573957259 /nfs/dbraw/zinc/95/72/59/573957259.db2.gz VEFPYDRAVGMTAJ-VIFPVBQESA-N 2 0 174.288 0.428 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1N1CC[N@H+](C)[C@H](C)C1 123188042 573957365 /nfs/dbraw/zinc/95/73/65/573957365.db2.gz SEPHCPDZYBNTKA-MXWKQRLJSA-N 2 0 197.326 0.230 10 0 ACAERP CCC[N@H+](CCO)CCCC[NH3+] 42452533 573957410 /nfs/dbraw/zinc/95/74/10/573957410.db2.gz YORCEYFRTOKASX-UHFFFAOYSA-N 2 0 174.288 0.430 10 0 ACAERP CCC[N@H+](CCO)[C@H](C)CC[NH3+] 42452602 573957422 /nfs/dbraw/zinc/95/74/22/573957422.db2.gz VEFPYDRAVGMTAJ-SECBINFHSA-N 2 0 174.288 0.428 10 0 ACAERP CCC[N@H+](CCO)CCC[NH2+]CC 42453238 573957447 /nfs/dbraw/zinc/95/74/47/573957447.db2.gz MOEXLYHWCVUAIN-UHFFFAOYSA-N 2 0 188.315 0.690 10 0 ACAERP [NH3+]CC[C@@H]([NH3+])C1CCC1 259251895 573957508 /nfs/dbraw/zinc/95/75/08/573957508.db2.gz IDJWAFNTLRWMOO-SSDOTTSWSA-N 2 0 128.219 0.463 10 0 ACAERP [NH3+]CC[C@H]([NH3+])C1CCC1 259251900 573957636 /nfs/dbraw/zinc/95/76/36/573957636.db2.gz IDJWAFNTLRWMOO-ZETCQYMHSA-N 2 0 128.219 0.463 10 0 ACAERP CC[NH+]1CCC(C[NH3+])(C[NH3+])CC1 259250799 573957673 /nfs/dbraw/zinc/95/76/73/573957673.db2.gz INELUFGPXZYZDA-UHFFFAOYSA-N 3 0 171.288 0.006 10 0 ACAERP C[C@@H](C[NH3+])[C@@]1(F)CCC[NH2+]C1 257911560 573957738 /nfs/dbraw/zinc/95/77/38/573957738.db2.gz AMDVWOZQASWNPD-JGVFFNPUSA-N 2 0 160.236 0.673 10 0 ACAERP C[C@@H](COCC[NH3+])[N@@H+]1CC[C@H](F)C1 689829862 573957909 /nfs/dbraw/zinc/95/79/09/573957909.db2.gz QAILRJKTUGSGNZ-IUCAKERBSA-N 2 0 190.262 0.394 10 0 ACAERP CC[NH2+]CCN(C)C[C@H]1CCOC1 45147292 573957955 /nfs/dbraw/zinc/95/79/55/573957955.db2.gz SHXARONBZQBDLC-SNVBAGLBSA-N 2 0 186.299 0.564 10 0 ACAERP C[C@H](C[NH3+])C[N@H+](C)C[C@@H]1CCCO1 42463458 573959508 /nfs/dbraw/zinc/95/95/08/573959508.db2.gz YSVFCIQFXHFDJK-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP CCOC1C[NH+](C[C@H]2C[C@@H]2C[NH3+])C1 715090182 573959540 /nfs/dbraw/zinc/95/95/40/573959540.db2.gz 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/nfs/dbraw/zinc/00/71/16/574007116.db2.gz WRRUKRKIMQPVFG-UWVGGRQHSA-N 2 0 195.266 0.393 10 0 ACAERP C[C@@H]([NH3+])CC[NH2+][C@H]1CO[C@H](C2CC2)C1 715114331 574007333 /nfs/dbraw/zinc/00/73/33/574007333.db2.gz VAEGMHDVODKWEW-IEBDPFPHSA-N 2 0 198.310 0.881 10 0 ACAERP C[C@@H]([NH3+])CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 715114327 574007508 /nfs/dbraw/zinc/00/75/08/574007508.db2.gz VAEGMHDVODKWEW-FBIMIBRVSA-N 2 0 198.310 0.881 10 0 ACAERP C[NH+](C)C[C@H](C[NH3+])c1ccco1 258199229 574007550 /nfs/dbraw/zinc/00/75/50/574007550.db2.gz PMLVHSPPIGFXPX-QMMMGPOBSA-N 2 0 168.240 0.884 10 0 ACAERP CC[C@H](C)[NH2+]C1CCN(CC[NH3+])CC1 259272377 574009229 /nfs/dbraw/zinc/00/92/29/574009229.db2.gz NWIZBYVTQQQECC-JTQLQIEISA-N 2 0 199.342 0.798 10 0 ACAERP COC[C@@H]1C[C@H](C2CC[NH2+]CC2)C[NH2+]1 258201793 574009252 /nfs/dbraw/zinc/00/92/52/574009252.db2.gz NJOHVOLMSCZRKR-QWRGUYRKSA-N 2 0 198.310 0.611 10 0 ACAERP C[C@H]1CCN(CC[NH+](C)C)CCC[NH2+]1 259272301 574009351 /nfs/dbraw/zinc/00/93/51/574009351.db2.gz GDSYRUNGZLYYSK-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP Cc1nn(C)cc1[C@@H](C[NH3+])NC(C)C 128034607 574009421 /nfs/dbraw/zinc/00/94/21/574009421.db2.gz NINNZLHFZBYEPM-SNVBAGLBSA-N 2 0 196.298 0.726 10 0 ACAERP C[C@@H]1C[NH2+]CCN(C2CC[NH2+]CC2)C1 258201329 574009473 /nfs/dbraw/zinc/00/94/73/574009473.db2.gz PWMYURSJMSGOBB-SNVBAGLBSA-N 2 0 197.326 0.280 10 0 ACAERP C[C@@H]1CCN(CC[NH+](C)C)CCC[NH2+]1 259272298 574009631 /nfs/dbraw/zinc/00/96/31/574009631.db2.gz GDSYRUNGZLYYSK-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP C[C@@H]([NH3+])N1CCC[N@H+](C)[C@@H](C)C1 258201176 574009737 /nfs/dbraw/zinc/00/97/37/574009737.db2.gz PUYSKQZNTUKLGY-IUCAKERBSA-N 2 0 171.288 0.317 10 0 ACAERP C[N@@H+]1CC[C@H](Cn2cncc2C[NH3+])C1 85197278 574010753 /nfs/dbraw/zinc/01/07/53/574010753.db2.gz FLJSWFLSKIVLBM-VIFPVBQESA-N 2 0 194.282 0.294 10 0 ACAERP C[NH+]1CCC(n2cncc2C[NH3+])CC1 85196922 574011429 /nfs/dbraw/zinc/01/14/29/574011429.db2.gz UKIWRCAEQRVLMY-UHFFFAOYSA-N 2 0 194.282 0.609 10 0 ACAERP C[N@@H+]1C[C@@H]([NH3+])CCC1(C)C 259272314 574011441 /nfs/dbraw/zinc/01/14/41/574011441.db2.gz GDXTUUOIBPMTPR-ZETCQYMHSA-N 2 0 142.246 0.818 10 0 ACAERP C[N@@H+]1CCC[C@H](n2cncc2C[NH3+])C1 85197408 574011807 /nfs/dbraw/zinc/01/18/07/574011807.db2.gz LFHHFOGNSLWVEW-VIFPVBQESA-N 2 0 194.282 0.609 10 0 ACAERP CC(C)[NH2+]CC(=O)[C@H]1CCC[N@H+](C)C1 259274016 574011998 /nfs/dbraw/zinc/01/19/98/574011998.db2.gz UJVRIWCUPHZPGK-JTQLQIEISA-N 2 0 198.310 0.895 10 0 ACAERP C[N@@H+]1CC[C@@H](n2cncc2C[NH3+])C1 85197477 574012034 /nfs/dbraw/zinc/01/20/34/574012034.db2.gz INNGHPWQMSSNJC-MRVPVSSYSA-N 2 0 180.255 0.218 10 0 ACAERP C[N@@H+]1CC[C@H](n2cncc2C[NH3+])C1 85197474 574012087 /nfs/dbraw/zinc/01/20/87/574012087.db2.gz INNGHPWQMSSNJC-QMMMGPOBSA-N 2 0 180.255 0.218 10 0 ACAERP NC(=[NH2+])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 111366809 574012116 /nfs/dbraw/zinc/01/21/16/574012116.db2.gz VNXAIMZRDDWTKS-SFYZADRCSA-N 2 0 182.271 0.096 10 0 ACAERP C[NH2+]Cc1cncn1[C@@H]1CC[N@H+](C)C1 85197496 574012165 /nfs/dbraw/zinc/01/21/65/574012165.db2.gz LLRLGYZZCDHFGY-SECBINFHSA-N 2 0 194.282 0.479 10 0 ACAERP C[NH2+]Cc1cncn1[C@H]1CC[N@H+](C)C1 85197498 574012191 /nfs/dbraw/zinc/01/21/91/574012191.db2.gz LLRLGYZZCDHFGY-VIFPVBQESA-N 2 0 194.282 0.479 10 0 ACAERP CC(C)(C)[C@](O)(C[NH3+])[C@H]1CCC[NH2+]1 123386310 574012227 /nfs/dbraw/zinc/01/22/27/574012227.db2.gz SFEKXVFLQDHYKD-SCZZXKLOSA-N 2 0 186.299 0.474 10 0 ACAERP C[N@@H+]1CC[C@@H](Cn2cncc2CO)C1 85200242 574013046 /nfs/dbraw/zinc/01/30/46/574013046.db2.gz MWTZFDHZFMUDRU-SECBINFHSA-N 2 0 195.266 0.327 10 0 ACAERP COCC[NH+]1C[C@H]2C[NH+](C)C[C@@H]2C1 585382448 574013119 /nfs/dbraw/zinc/01/31/19/574013119.db2.gz NXZORARITNXUAZ-NXEZZACHSA-N 2 0 184.283 0.126 10 0 ACAERP NC(=[NH2+])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 111366807 574013132 /nfs/dbraw/zinc/01/31/32/574013132.db2.gz VNXAIMZRDDWTKS-HTQZYQBOSA-N 2 0 182.271 0.096 10 0 ACAERP CC(C)(C)[C@](O)(C[NH3+])[C@@H]1CCC[NH2+]1 123385944 574013161 /nfs/dbraw/zinc/01/31/61/574013161.db2.gz SFEKXVFLQDHYKD-WPRPVWTQSA-N 2 0 186.299 0.474 10 0 ACAERP C[N@@H+]1CC[C@@H](Cn2cncc2C[NH3+])C1 85197283 574013285 /nfs/dbraw/zinc/01/32/85/574013285.db2.gz FLJSWFLSKIVLBM-SECBINFHSA-N 2 0 194.282 0.294 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H](CO)C1CCC1 717583446 574013448 /nfs/dbraw/zinc/01/34/48/574013448.db2.gz NDYOGTOEJDWDSW-QXFUBDJGSA-N 2 0 186.299 0.473 10 0 ACAERP CNC(=[NH2+])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 111366822 574013465 /nfs/dbraw/zinc/01/34/65/574013465.db2.gz XONNKQWXHPREDS-RKDXNWHRSA-N 2 0 196.298 0.357 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](CO)C1CCC1 717583442 574014416 /nfs/dbraw/zinc/01/44/16/574014416.db2.gz NDYOGTOEJDWDSW-NRPADANISA-N 2 0 186.299 0.473 10 0 ACAERP COCC[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 585382449 574014576 /nfs/dbraw/zinc/01/45/76/574014576.db2.gz NXZORARITNXUAZ-UWVGGRQHSA-N 2 0 184.283 0.126 10 0 ACAERP CC(C)(C)[C@@](O)(C[NH3+])[C@@H]1CCC[NH2+]1 123385805 574015081 /nfs/dbraw/zinc/01/50/81/574015081.db2.gz SFEKXVFLQDHYKD-WCBMZHEXSA-N 2 0 186.299 0.474 10 0 ACAERP COC(OC)[C@@](C)(C[NH3+])NC(C)C 85229480 574016260 /nfs/dbraw/zinc/01/62/60/574016260.db2.gz SGKWBWUUSCATBD-SECBINFHSA-N 2 0 190.287 0.321 10 0 ACAERP CC[NH+](CC)CCC[NH2+]CCCO 48694347 574018404 /nfs/dbraw/zinc/01/84/04/574018404.db2.gz SJBGWLRTEPPTIJ-UHFFFAOYSA-N 2 0 188.315 0.690 10 0 ACAERP [NH3+]C1(c2cccnc2C2([NH3+])CC2)CC1 104504447 574019607 /nfs/dbraw/zinc/01/96/07/574019607.db2.gz VHXUFUTUFLLRAC-UHFFFAOYSA-N 2 0 189.262 0.977 10 0 ACAERP C[NH+](C)CCN1C[C@@H]([NH3+])CCC1(C)C 259274648 574019630 /nfs/dbraw/zinc/01/96/30/574019630.db2.gz GELIYWVXJWFFOO-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@@H]([NH3+])c1cc(N)nc(N)c1 104509117 574019715 /nfs/dbraw/zinc/01/97/15/574019715.db2.gz LSRQUQUUKGYBCQ-ZCFIWIBFSA-N 2 0 166.228 0.656 10 0 ACAERP C[NH2+][C@H](CC[NH3+])C1CCOCC1 259274537 574019755 /nfs/dbraw/zinc/01/97/55/574019755.db2.gz HEYILKWVTDQOKN-SECBINFHSA-N 2 0 172.272 0.350 10 0 ACAERP [NH3+]CC[C@H](F)[C@H]1CC[NH2+]C1 258524276 574019797 /nfs/dbraw/zinc/01/97/97/574019797.db2.gz MRDQQTMHZVDNLU-BQBZGAKWSA-N 2 0 146.209 0.283 10 0 ACAERP Nc1cc([C@@H]2CCC[NH2+]2)cc(N)n1 104507328 574019853 /nfs/dbraw/zinc/01/98/53/574019853.db2.gz XQGBCVQKFGLUBM-ZETCQYMHSA-N 2 0 178.239 0.671 10 0 ACAERP N[C@H](C[NH3+])C[NH2+]CCC1CCCC1 259276229 574020075 /nfs/dbraw/zinc/02/00/75/574020075.db2.gz ZWFGPTWHZJLYQE-SNVBAGLBSA-N 2 0 185.315 0.442 10 0 ACAERP [NH3+]C1(c2ccnc(C3([NH3+])CC3)c2)CC1 104504442 574020241 /nfs/dbraw/zinc/02/02/41/574020241.db2.gz PGQFLTPOHKFTCE-UHFFFAOYSA-N 2 0 189.262 0.977 10 0 ACAERP [NH3+]CC[C@H](F)[C@@H]1CC[NH2+]C1 258524281 574020250 /nfs/dbraw/zinc/02/02/50/574020250.db2.gz MRDQQTMHZVDNLU-RQJHMYQMSA-N 2 0 146.209 0.283 10 0 ACAERP [NH3+]C1(c2ccncc2C2([NH3+])CC2)CC1 104504453 574020319 /nfs/dbraw/zinc/02/03/19/574020319.db2.gz PPRAEUYCAFDYSQ-UHFFFAOYSA-N 2 0 189.262 0.977 10 0 ACAERP [NH3+]CC[C@@H](F)[C@@H]1CC[NH2+]C1 258524279 574021342 /nfs/dbraw/zinc/02/13/42/574021342.db2.gz MRDQQTMHZVDNLU-RNFRBKRXSA-N 2 0 146.209 0.283 10 0 ACAERP [NH3+]CCC(=O)[C@H]1NCc2ccccc21 104516162 574021412 /nfs/dbraw/zinc/02/14/12/574021412.db2.gz FUSIKZYDVCKRON-NSHDSACASA-N 2 0 190.246 0.749 10 0 ACAERP CC(C)[N@@H+]1CC[C@@H](N(C)C2C[NH2+]C2)C1 85257040 574021436 /nfs/dbraw/zinc/02/14/36/574021436.db2.gz HGOVGIIJCPTWIZ-SNVBAGLBSA-N 2 0 197.326 0.373 10 0 ACAERP CC(C)[N@@H+]1CC[C@H](N(C)C2C[NH2+]C2)C1 85257039 574021554 /nfs/dbraw/zinc/02/15/54/574021554.db2.gz HGOVGIIJCPTWIZ-JTQLQIEISA-N 2 0 197.326 0.373 10 0 ACAERP C[N@@H+]1CC[C@@H](Nc2cccc(N)[nH+]2)C1 87726174 574021783 /nfs/dbraw/zinc/02/17/83/574021783.db2.gz QUEVMGIKVZGAHS-MRVPVSSYSA-N 2 0 192.266 0.780 10 0 ACAERP [NH3+]CC1([C@@H]([NH3+])C2CCC2)COC1 259277102 574021788 /nfs/dbraw/zinc/02/17/88/574021788.db2.gz HHNGWHHXQHKINI-QMMMGPOBSA-N 2 0 170.256 0.089 10 0 ACAERP CN(C1C[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 85257302 574021839 /nfs/dbraw/zinc/02/18/39/574021839.db2.gz WBJIHFKOPUNOSV-JTQLQIEISA-N 2 0 195.310 0.127 10 0 ACAERP C[NH+]1CCC([C@H](O)C2([NH3+])CC2)CC1 259277423 574021841 /nfs/dbraw/zinc/02/18/41/574021841.db2.gz VKNHHSJTPYXBBQ-VIFPVBQESA-N 2 0 184.283 0.180 10 0 ACAERP CN1CC[NH2+]C[C@H]1[C@@H]([NH3+])C1CCCC1 259277064 574021997 /nfs/dbraw/zinc/02/19/97/574021997.db2.gz HGZYIPVQHQMLKE-QWRGUYRKSA-N 2 0 197.326 0.408 10 0 ACAERP [NH3+]Cc1ccc2c(c1)[C@H]([NH3+])CCO2 104513653 574022208 /nfs/dbraw/zinc/02/22/08/574022208.db2.gz IGGHXLVNJRUQIL-SECBINFHSA-N 2 0 178.235 0.928 10 0 ACAERP C[NH+]1CC(C(F)(F)C[NH3+])C1 258524340 574022241 /nfs/dbraw/zinc/02/22/41/574022241.db2.gz MTILWDBIDPZDDJ-UHFFFAOYSA-N 2 0 150.172 0.142 10 0 ACAERP CC(C)(C[N@@H+]1CCC[C@@H](O)C1)C(N)=[NH2+] 405135466 574022275 /nfs/dbraw/zinc/02/22/75/574022275.db2.gz PDWBANXHKNPYME-MRVPVSSYSA-N 2 0 199.298 0.405 10 0 ACAERP Cc1c[nH+]ccc1N(C)C1C[NH2+]C1 85258388 574022284 /nfs/dbraw/zinc/02/22/84/574022284.db2.gz OZWJFRIUXMNADD-UHFFFAOYSA-N 2 0 177.251 0.798 10 0 ACAERP CN1CC[NH2+]C[C@@H]1[C@@H]([NH3+])C1CCCC1 259277061 574022344 /nfs/dbraw/zinc/02/23/44/574022344.db2.gz HGZYIPVQHQMLKE-MNOVXSKESA-N 2 0 197.326 0.408 10 0 ACAERP Nc1cc([C@H]([NH3+])C2CC2)cc(N)n1 104515714 574022410 /nfs/dbraw/zinc/02/24/10/574022410.db2.gz QJBNBUBTZPQVRK-SECBINFHSA-N 2 0 178.239 0.656 10 0 ACAERP CCn1cc[nH+]c1NC1C[NH2+]C1 85256572 574022494 /nfs/dbraw/zinc/02/24/94/574022494.db2.gz BAVSTSFTSBPREV-UHFFFAOYSA-N 2 0 166.228 0.287 10 0 ACAERP CN1CC[NH+](CC(C)(C)C(N)=[NH2+])CC1 405135468 574022527 /nfs/dbraw/zinc/02/25/27/574022527.db2.gz PEAFKMVBCVLHHD-UHFFFAOYSA-N 2 0 198.314 0.196 10 0 ACAERP [NH3+]CC1([C@H]([NH3+])C2CCC2)COC1 259277101 574022598 /nfs/dbraw/zinc/02/25/98/574022598.db2.gz HHNGWHHXQHKINI-MRVPVSSYSA-N 2 0 170.256 0.089 10 0 ACAERP C[N@@H+]1CC[C@@H](C(=O)C[NH2+]C2CC2)C1 259276631 574022611 /nfs/dbraw/zinc/02/26/11/574022611.db2.gz UONJATGNQCPPIB-MRVPVSSYSA-N 2 0 182.267 0.259 10 0 ACAERP CC(C)(C[N@@H+]1CCC[C@H](O)C1)C(N)=[NH2+] 405135467 574022628 /nfs/dbraw/zinc/02/26/28/574022628.db2.gz PDWBANXHKNPYME-QMMMGPOBSA-N 2 0 199.298 0.405 10 0 ACAERP CN1CC[NH2+]C[C@@H]1[C@H]([NH3+])C1CCCC1 259277059 574022709 /nfs/dbraw/zinc/02/27/09/574022709.db2.gz HGZYIPVQHQMLKE-GHMZBOCLSA-N 2 0 197.326 0.408 10 0 ACAERP CCN(C1CC[NH+](C)CC1)C1C[NH2+]C1 85258738 574022714 /nfs/dbraw/zinc/02/27/14/574022714.db2.gz AUJVUYNZVWBOQO-UHFFFAOYSA-N 2 0 197.326 0.374 10 0 ACAERP CN1CC[NH2+]C[C@H]1[C@H]([NH3+])C1CCCC1 259277066 574022759 /nfs/dbraw/zinc/02/27/59/574022759.db2.gz HGZYIPVQHQMLKE-WDEREUQCSA-N 2 0 197.326 0.408 10 0 ACAERP CNC(=[NH2+])C1CC[NH+](C)CC1 259277332 574022782 /nfs/dbraw/zinc/02/27/82/574022782.db2.gz RHEFKRRSGCWUMU-UHFFFAOYSA-N 2 0 155.245 0.525 10 0 ACAERP C[C@@H](O)C(C)(C)[NH2+]CCC[NH3+] 128150898 574022835 /nfs/dbraw/zinc/02/28/35/574022835.db2.gz NSMHWZDJRHVCBD-SSDOTTSWSA-N 2 0 160.261 0.084 10 0 ACAERP [NH3+]CC1=CC[N@H+](C[C@@H]2CCCO2)CC1 259278763 574022841 /nfs/dbraw/zinc/02/28/41/574022841.db2.gz SSDDEQLCIFESDQ-NSHDSACASA-N 2 0 196.294 0.756 10 0 ACAERP CN(C1C[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 85257301 574022856 /nfs/dbraw/zinc/02/28/56/574022856.db2.gz WBJIHFKOPUNOSV-SNVBAGLBSA-N 2 0 195.310 0.127 10 0 ACAERP CN(C1C[NH2+]C1)[C@@H]1CCC[N@H+](C)CC1 85257257 574022963 /nfs/dbraw/zinc/02/29/63/574022963.db2.gz LVXGCXWVNPWBNN-SNVBAGLBSA-N 2 0 197.326 0.374 10 0 ACAERP C[N@@H+]1CC[C@@H](C(=O)C(C)(C)CC[NH3+])C1 259279228 574022969 /nfs/dbraw/zinc/02/29/69/574022969.db2.gz UYDSYVRQLFRMRP-SECBINFHSA-N 2 0 198.310 0.882 10 0 ACAERP C[NH2+][C@H](c1cccs1)[C@@H](O)C[NH3+] 259278949 574022980 /nfs/dbraw/zinc/02/29/80/574022980.db2.gz IFLJEZIGDMLNLJ-XPUUQOCRSA-N 2 0 186.280 0.328 10 0 ACAERP [NH3+]CCC(=O)[C@@H]1NCc2ccccc21 104516164 574022200 /nfs/dbraw/zinc/02/22/00/574022200.db2.gz FUSIKZYDVCKRON-LLVKDONJSA-N 2 0 190.246 0.749 10 0 ACAERP [NH3+]CCS[C@H]1CCC[C@@H]1[NH3+] 87736259 574025002 /nfs/dbraw/zinc/02/50/02/574025002.db2.gz FYTAGEDQWSRUKJ-BQBZGAKWSA-N 2 0 160.286 0.558 10 0 ACAERP CC[C@H](C)N(CC[NH2+]C)CCOC 42590245 574025152 /nfs/dbraw/zinc/02/51/52/574025152.db2.gz 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574029894 /nfs/dbraw/zinc/02/98/94/574029894.db2.gz BNQPYWYYBSCOJU-RXMQYKEDSA-N 2 0 146.259 0.039 10 0 ACAERP C[C@@H](C[NH3+])S[C@H]1CC[NH2+]C1 85302013 574029914 /nfs/dbraw/zinc/02/99/14/574029914.db2.gz YEXWLLCMFVNDCN-BQBZGAKWSA-N 2 0 160.286 0.429 10 0 ACAERP C[C@H](C[NH3+])S[C@@H]1CCC[NH2+]C1 85301986 574029040 /nfs/dbraw/zinc/02/90/40/574029040.db2.gz XQPHHQGPQXQOKE-HTQZYQBOSA-N 2 0 174.313 0.819 10 0 ACAERP CC[NH2+]CCS[C@@H](C)C[NH3+] 85302154 574029135 /nfs/dbraw/zinc/02/91/35/574029135.db2.gz NDZXYQAGFWJMPB-ZETCQYMHSA-N 2 0 162.302 0.676 10 0 ACAERP C[C@@H](C[NH3+])S[C@@H]1CC[NH2+]C1 85302007 574029161 /nfs/dbraw/zinc/02/91/61/574029161.db2.gz YEXWLLCMFVNDCN-NKWVEPMBSA-N 2 0 160.286 0.429 10 0 ACAERP C[C@@H](C[NH3+])SC[C@H]1CC[NH2+]C1 85301636 574029164 /nfs/dbraw/zinc/02/91/64/574029164.db2.gz TWFQQHISMAEWSV-YUMQZZPRSA-N 2 0 174.313 0.676 10 0 ACAERP C[C@H](C[NH3+])SCC[NH3+] 85300715 574029167 /nfs/dbraw/zinc/02/91/67/574029167.db2.gz DTDXODUAJMFQHD-RXMQYKEDSA-N 2 0 134.248 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10 0 ACAERP C[N@@H+]1CC[C@@H](CNC2CC[NH2+]CC2)C1 38041454 1169081416 /nfs/dbraw/zinc/08/14/16/1169081416.db2.gz PKDOMHSKKZVHAJ-JTQLQIEISA-N 2 0 197.326 0.280 10 0 ACAERP [NH3+]CCCC[N@@H+]1C[C@@H]2C[C@H]1CO2 39291696 1169085944 /nfs/dbraw/zinc/08/59/44/1169085944.db2.gz NESNZOREZACZKI-IUCAKERBSA-N 2 0 170.256 0.198 10 0 ACAERP CC[NH+]1CCN(CC[NH+](C)C)CC1 41203289 1169089487 /nfs/dbraw/zinc/08/94/87/1169089487.db2.gz IZHLTDZACYWRKP-UHFFFAOYSA-N 2 0 185.315 0.186 10 0 ACAERP C[N@H+](CCC[NH3+])CCCCCO 51020207 1169092314 /nfs/dbraw/zinc/09/23/14/1169092314.db2.gz NBQFOIWTXIKEPK-UHFFFAOYSA-N 2 0 174.288 0.430 10 0 ACAERP C[NH+](C)CCC[N@H+](C)CCCCO 80081066 1169103178 /nfs/dbraw/zinc/10/31/78/1169103178.db2.gz JDDDRJBLNYLOAL-UHFFFAOYSA-N 2 0 188.315 0.642 10 0 ACAERP CC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 83423483 1169112655 /nfs/dbraw/zinc/11/26/55/1169112655.db2.gz HBHUTFDYFYPLKO-SECBINFHSA-N 2 0 172.272 0.182 10 0 ACAERP CCC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 83423489 1169113003 /nfs/dbraw/zinc/11/30/03/1169113003.db2.gz FUNRXHVDRHYMEY-JTQLQIEISA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]CCN1CC[C@H](c2ccncc2)C1 82890493 1169113508 /nfs/dbraw/zinc/11/35/08/1169113508.db2.gz KFJHQGWBFCGHQX-NSHDSACASA-N 2 0 191.278 0.830 10 0 ACAERP CC[C@H]1CN(CCC[NH2+]C)CC[NH2+]1 83341100 1169113665 /nfs/dbraw/zinc/11/36/65/1169113665.db2.gz MCAMJVXBRWJBFA-JTQLQIEISA-N 2 0 185.315 0.280 10 0 ACAERP CC[C@@H]1C[NH2+]CCN1CCC[NH2+]C 83341105 1169113733 /nfs/dbraw/zinc/11/37/33/1169113733.db2.gz XAQOWOJYSVMONQ-SNVBAGLBSA-N 2 0 185.315 0.280 10 0 ACAERP C[NH2+]CCCN1CC[NH2+][C@H](C(C)C)C1 83343273 1169113756 /nfs/dbraw/zinc/11/37/56/1169113756.db2.gz ILXJMWIGIIZDRZ-NSHDSACASA-N 2 0 199.342 0.526 10 0 ACAERP [NH3+]CCN1CC[C@@H](c2ccncc2)C1 82890492 1169113811 /nfs/dbraw/zinc/11/38/11/1169113811.db2.gz KFJHQGWBFCGHQX-LLVKDONJSA-N 2 0 191.278 0.830 10 0 ACAERP CCC[N@@H+]1CCC[C@](O)(C[NH3+])CC1 83423487 1169114221 /nfs/dbraw/zinc/11/42/21/1169114221.db2.gz FUNRXHVDRHYMEY-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP CC[C@H]1C[NH2+]CCN1CCC[NH2+]C 83341106 1169114357 /nfs/dbraw/zinc/11/43/57/1169114357.db2.gz XAQOWOJYSVMONQ-JTQLQIEISA-N 2 0 185.315 0.280 10 0 ACAERP CC[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 83423485 1169114397 /nfs/dbraw/zinc/11/43/97/1169114397.db2.gz HBHUTFDYFYPLKO-VIFPVBQESA-N 2 0 172.272 0.182 10 0 ACAERP [NH3+]CC1C[NH+](CCCCCO)C1 84988208 1169119290 /nfs/dbraw/zinc/11/92/90/1169119290.db2.gz XVAQYMOBZCKFQM-UHFFFAOYSA-N 2 0 172.272 0.040 10 0 ACAERP [NH3+]Cc1cccc(N2CC[NH2+]CC2)c1 84846487 1169120131 /nfs/dbraw/zinc/12/01/31/1169120131.db2.gz GLCXJDAMVKPTRX-UHFFFAOYSA-N 2 0 191.278 0.555 10 0 ACAERP CN1CC[NH+]=C1[C@H]1CC[C@H]([NH3+])CC1 757122837 673915183 /nfs/dbraw/zinc/91/51/83/673915183.db2.gz KOGQORFAHXQWHP-KYZUINATSA-N 2 0 181.283 0.848 10 0 ACAERP CC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306927786 673915432 /nfs/dbraw/zinc/91/54/32/673915432.db2.gz VRPRBGAEJYBOOU-XWLWVQCSSA-N 2 0 198.310 0.426 10 0 ACAERP 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C[C@H]([NH3+])[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 70821808 571758989 /nfs/dbraw/zinc/75/89/89/571758989.db2.gz BFNKNRYFTMOFAE-HBNTYKKESA-N 2 0 199.342 0.606 10 0 ACAERP C[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@H+](C)C1 70821724 571759086 /nfs/dbraw/zinc/75/90/86/571759086.db2.gz HTKHJQBOPMAFKR-NXEZZACHSA-N 2 0 185.315 0.217 10 0 ACAERP [NH3+]C[C@H]1C[C@H]1C[NH2+]CCF 19058251 571759154 /nfs/dbraw/zinc/75/91/54/571759154.db2.gz LHQFLWONRMXCMU-RQJHMYQMSA-N 2 0 146.209 0.140 10 0 ACAERP C[NH2+]CCCN(C)C[C@H]1CC[N@H+](C)C1 70821822 571759215 /nfs/dbraw/zinc/75/92/15/571759215.db2.gz WGMIJRWVYKYIGD-LLVKDONJSA-N 2 0 199.342 0.479 10 0 ACAERP CC(C)[C@H]([NH3+])[C@@H](C)[NH3+] 138893068 571759232 /nfs/dbraw/zinc/75/92/32/571759232.db2.gz WANBQZBCWWTMCD-RITPCOANSA-N 2 0 116.208 0.317 10 0 ACAERP CCC[NH2+]C[C@@H]1C[C@H]1C[NH3+] 19058212 571759291 /nfs/dbraw/zinc/75/92/91/571759291.db2.gz CYCZSCBWQFWCAM-YUMQZZPRSA-N 2 0 142.246 0.581 10 0 ACAERP C[C@@H](CC[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 70821560 571759299 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/nfs/dbraw/zinc/96/04/90/571960490.db2.gz RERTUSFULSZREP-UHFFFAOYSA-N 2 0 198.310 0.708 10 0 ACAERP CC[N@@H+]1CCN(CC(C)(C)[NH3+])[C@@H](C)C1 250195786 571958715 /nfs/dbraw/zinc/95/87/15/571958715.db2.gz AWJAZDPEHWRMJF-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP CCc1cc(N[C@@H]2C[C@H]2[NH3+])ncn1 40765274 571959638 /nfs/dbraw/zinc/95/96/38/571959638.db2.gz RUXFVVJJMPLTCQ-HTQZYQBOSA-N 2 0 178.239 0.551 10 0 ACAERP C1C[NH2+][C@H]([C@@H]2C[C@H]3CC[NH2+]C[C@H]3O2)C1 687816025 571960042 /nfs/dbraw/zinc/96/00/42/571960042.db2.gz PEMRZAFHZIVUFV-VPOLOUISSA-N 2 0 196.294 0.505 10 0 ACAERP CCCC[C@H]([NH2+]C)[C@@H]1C[NH+]=C(N)O1 80340548 571960054 /nfs/dbraw/zinc/96/00/54/571960054.db2.gz IGBPUFWQSOLFKZ-YUMQZZPRSA-N 2 0 185.271 0.478 10 0 ACAERP c1c[nH]c(CNCCC[NH2+]C2CC2)n1 687759409 571960279 /nfs/dbraw/zinc/96/02/79/571960279.db2.gz OWAVZIUVGXNHTQ-UHFFFAOYSA-N 2 0 194.282 0.641 10 0 ACAERP COC[C@@](C)([NH3+])Cc1c[nH+]ccc1N 687688764 571960365 /nfs/dbraw/zinc/96/03/65/571960365.db2.gz WNJIOIMJWDEQNQ-JTQLQIEISA-N 2 0 195.266 0.400 10 0 ACAERP Cc1cc(N[C@@H]2C[C@H]2[NH3+])ncn1 40727506 571960446 /nfs/dbraw/zinc/96/04/46/571960446.db2.gz ONZJWQGVTGWUOV-RNFRBKRXSA-N 2 0 164.212 0.297 10 0 ACAERP COC[C@](C)([NH3+])Cc1c[nH+]ccc1N 687688765 571960473 /nfs/dbraw/zinc/96/04/73/571960473.db2.gz WNJIOIMJWDEQNQ-SNVBAGLBSA-N 2 0 195.266 0.400 10 0 ACAERP CO[C@@H]1C[NH2+][C@H](C[NH2+]CC2(C)CC2)C1 234791894 571960652 /nfs/dbraw/zinc/96/06/52/571960652.db2.gz WOYDDWGVVUNSEM-UWVGGRQHSA-N 2 0 198.310 0.753 10 0 ACAERP C[C@H]1CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 40718410 571960728 /nfs/dbraw/zinc/96/07/28/571960728.db2.gz NXFGEFYBEGXGCO-JGVFFNPUSA-N 2 0 169.272 0.900 10 0 ACAERP C1C[NH2+][C@H]([C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C1 687816024 571960917 /nfs/dbraw/zinc/96/09/17/571960917.db2.gz PEMRZAFHZIVUFV-RCWTZXSCSA-N 2 0 196.294 0.505 10 0 ACAERP CCc1cc(N[C@H]2C[C@@H]2[NH3+])ncn1 40765273 571960992 /nfs/dbraw/zinc/96/09/92/571960992.db2.gz RUXFVVJJMPLTCQ-YUMQZZPRSA-N 2 0 178.239 0.551 10 0 ACAERP C[C@H]([NH3+])c1ccnc(CC[NH+](C)C)n1 388662863 571961031 /nfs/dbraw/zinc/96/10/31/571961031.db2.gz ANLZFMFRBKXMPN-QMMMGPOBSA-N 2 0 194.282 0.600 10 0 ACAERP C1C[NH2+][C@H]([C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)C1 687816026 571961320 /nfs/dbraw/zinc/96/13/20/571961320.db2.gz PEMRZAFHZIVUFV-XWLWVQCSSA-N 2 0 196.294 0.505 10 0 ACAERP Cc1cc(N[C@@H]2C[C@@H]2[NH3+])ncn1 40727502 571961959 /nfs/dbraw/zinc/96/19/59/571961959.db2.gz ONZJWQGVTGWUOV-NKWVEPMBSA-N 2 0 164.212 0.297 10 0 ACAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCC[NH3+] 300821755 571962026 /nfs/dbraw/zinc/96/20/26/571962026.db2.gz IUBWZDOSYNTXPS-JTQLQIEISA-N 3 0 199.342 0.703 10 0 ACAERP CCc1cc(N[C@H]2C[C@H]2[NH3+])ncn1 40765275 571962168 /nfs/dbraw/zinc/96/21/68/571962168.db2.gz RUXFVVJJMPLTCQ-SFYZADRCSA-N 2 0 178.239 0.551 10 0 ACAERP C1C[NH2+][C@H]([C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C1 687816023 571962226 /nfs/dbraw/zinc/96/22/26/571962226.db2.gz PEMRZAFHZIVUFV-NAKRPEOUSA-N 2 0 196.294 0.505 10 0 ACAERP CO[C@H]1CC[N@H+](CC(C)(C)C[NH3+])C1 234794151 571962419 /nfs/dbraw/zinc/96/24/19/571962419.db2.gz HXIRBWOLXYEYOM-VIFPVBQESA-N 2 0 186.299 0.692 10 0 ACAERP C[C@@H]1CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 40718409 571962437 /nfs/dbraw/zinc/96/24/37/571962437.db2.gz NXFGEFYBEGXGCO-HTQZYQBOSA-N 2 0 169.272 0.900 10 0 ACAERP CCc1cc(N[C@@H]2C[C@@H]2[NH3+])ncn1 40765272 571962469 /nfs/dbraw/zinc/96/24/69/571962469.db2.gz RUXFVVJJMPLTCQ-JGVFFNPUSA-N 2 0 178.239 0.551 10 0 ACAERP C[N@H+]([C@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 401603003 571962607 /nfs/dbraw/zinc/96/26/07/571962607.db2.gz FNOUIYWIWZGTPI-GARJFASQSA-N 2 0 198.310 0.977 10 0 ACAERP CO[C@H]1CC[N@H+](CCCCC(N)=[NH2+])C1 234798198 571962675 /nfs/dbraw/zinc/96/26/75/571962675.db2.gz AIMUVLFBCOLNTC-VIFPVBQESA-N 2 0 199.298 0.813 10 0 ACAERP CO[C@H]1CC[N@H+](CCC(C)(C)[NH3+])C1 234796102 571962864 /nfs/dbraw/zinc/96/28/64/571962864.db2.gz CSVOXWUSGMCFBH-VIFPVBQESA-N 2 0 186.299 0.835 10 0 ACAERP CO[C@H]1CC[N@H+](CCCC(N)=[NH2+])C1 234797376 571963080 /nfs/dbraw/zinc/96/30/80/571963080.db2.gz SFVUZKVCSPONJL-QMMMGPOBSA-N 2 0 185.271 0.423 10 0 ACAERP CO[C@H]1CC[N@H+](CCC(N)=[NH2+])C1 234796285 571963265 /nfs/dbraw/zinc/96/32/65/571963265.db2.gz INSQANZSYCVMAT-ZETCQYMHSA-N 2 0 171.244 0.033 10 0 ACAERP CO[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH3+])C1(C)C 234799288 571963363 /nfs/dbraw/zinc/96/33/63/571963363.db2.gz QMAUAVKJVXLSPS-VGMNWLOBSA-N 2 0 186.299 0.737 10 0 ACAERP C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 32007935 571963424 /nfs/dbraw/zinc/96/34/24/571963424.db2.gz MVVCAVSLIOXMBL-UHFFFAOYSA-N 2 0 186.299 0.441 10 0 ACAERP CO[C@H]1C[C@H]([NH2+]CCC[NH3+])C1(C)C 234797123 571963478 /nfs/dbraw/zinc/96/34/78/571963478.db2.gz ZKCOEJTZUUMOAS-IUCAKERBSA-N 2 0 186.299 0.738 10 0 ACAERP COCC[NH2+][C@H]1CC[NH2+]CC1(C)C 300820837 571963594 /nfs/dbraw/zinc/96/35/94/571963594.db2.gz ISDLSKBNANFTPK-VIFPVBQESA-N 2 0 186.299 0.611 10 0 ACAERP CO[C@H]1CC[N@H+](CC[C@@H](C)C[NH3+])C1 234803332 571964902 /nfs/dbraw/zinc/96/49/02/571964902.db2.gz JVBQIRKLMILZCA-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP CO[C@H]1CC[N@H+](C[C@@H](C)C(N)=[NH2+])C1 234805486 571965136 /nfs/dbraw/zinc/96/51/36/571965136.db2.gz DXUCFYIVPBESSL-SFYZADRCSA-N 2 0 185.271 0.279 10 0 ACAERP CO[C@H]1CC[N@H+](CCC[C@@H](C)[NH3+])C1 234800923 571965555 /nfs/dbraw/zinc/96/55/55/571965555.db2.gz BBOXYIKOJVDYFV-ZJUUUORDSA-N 2 0 186.299 0.835 10 0 ACAERP C[N@H+](CCCO)CCC[NH2+]C1CC1 300827096 571966036 /nfs/dbraw/zinc/96/60/36/571966036.db2.gz NVRPATGSBXMNGL-UHFFFAOYSA-N 2 0 186.299 0.443 10 0 ACAERP CO[C@H]1CC[N@H+](C[C@@H](C)CC[NH3+])C1 234805937 571966062 /nfs/dbraw/zinc/96/60/62/571966062.db2.gz LANSHWNZUGIRBQ-UWVGGRQHSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH+]1CCN([C@H](C[NH3+])C(C)(C)C)CC1 41051494 571966245 /nfs/dbraw/zinc/96/62/45/571966245.db2.gz LAFKGEQWPWYUOY-SNVBAGLBSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+]1CCN([C@@H](C[NH3+])C(C)(C)C)CC1 41051495 571966661 /nfs/dbraw/zinc/96/66/61/571966661.db2.gz LAFKGEQWPWYUOY-JTQLQIEISA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+](C)[C@H]1[C@H](C[NH3+])CC1(C)C 32150644 571967363 /nfs/dbraw/zinc/96/73/63/571967363.db2.gz XYWABILRSMHADD-YUMQZZPRSA-N 2 0 156.273 0.921 10 0 ACAERP CO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)C1(C)C 234813187 571967516 /nfs/dbraw/zinc/96/75/16/571967516.db2.gz JOZFSVNPXZKQPV-DTWKUNHWSA-N 2 0 198.310 0.881 10 0 ACAERP C[NH+](C)[C@@H]1[C@@H](C[NH3+])CC1(C)C 32150632 571967977 /nfs/dbraw/zinc/96/79/77/571967977.db2.gz XYWABILRSMHADD-HTQZYQBOSA-N 2 0 156.273 0.921 10 0 ACAERP C[NH+](C)[C@H]1[C@@H](C[NH3+])CC1(C)C 32150635 571968031 /nfs/dbraw/zinc/96/80/31/571968031.db2.gz XYWABILRSMHADD-SFYZADRCSA-N 2 0 156.273 0.921 10 0 ACAERP C[C@H]1CN([C@@H](C)CC[NH3+])C[C@@H](C)O1 41042483 571968070 /nfs/dbraw/zinc/96/80/70/571968070.db2.gz OVJATZSLZZJGGU-LPEHRKFASA-N 2 0 186.299 0.833 10 0 ACAERP C[NH+](C)[C@@H]1[C@H](C[NH3+])CC1(C)C 32150640 571968081 /nfs/dbraw/zinc/96/80/81/571968081.db2.gz XYWABILRSMHADD-JGVFFNPUSA-N 2 0 156.273 0.921 10 0 ACAERP CO[C@H]1CC[N@H+](C/C=C/C[NH3+])C1 234809585 571968259 /nfs/dbraw/zinc/96/82/59/571968259.db2.gz VEQIQYMBBXNKND-HPOULIHZSA-N 2 0 170.256 0.222 10 0 ACAERP C[C@H]1COC[C@@H](C)N1C1CC[NH2+]CC1 221392030 571968512 /nfs/dbraw/zinc/96/85/12/571968512.db2.gz DYJJRBBENHQMCJ-AOOOYVTPSA-N 2 0 198.310 0.848 10 0 ACAERP CO[C@H]1CC[N@@H+]([C@@H](C)CC[NH3+])C1 234813290 571968576 /nfs/dbraw/zinc/96/85/76/571968576.db2.gz PBJAIPOMYHGNNV-IUCAKERBSA-N 2 0 172.272 0.444 10 0 ACAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H]1C 234808622 571968799 /nfs/dbraw/zinc/96/87/99/571968799.db2.gz JGSWMICCAFRLRT-LPEHRKFASA-N 2 0 186.299 0.738 10 0 ACAERP C[N@@H+]1CCN(C2(C[NH3+])CC2)CC1(C)C 234329012 571969113 /nfs/dbraw/zinc/96/91/13/571969113.db2.gz LDFIEGGRTCVCGP-UHFFFAOYSA-N 2 0 197.326 0.504 10 0 ACAERP CO[C@@H]1C[C@H]([NH2+]CC2C[NH2+]C2)C1(C)C 234814095 571969208 /nfs/dbraw/zinc/96/92/08/571969208.db2.gz KPPJSHIVYQARBC-VHSXEESVSA-N 2 0 198.310 0.609 10 0 ACAERP CO[C@H]1CC[N@@H+]([C@@H](C)CC(N)=[NH2+])C1 234812706 571969397 /nfs/dbraw/zinc/96/93/97/571969397.db2.gz FBNMHPYLBYQUJT-YUMQZZPRSA-N 2 0 185.271 0.422 10 0 ACAERP CC(C)[NH2+]CC(C)(N)C[NH2+]C(C)C 113945382 571969877 /nfs/dbraw/zinc/96/98/77/571969877.db2.gz LGPNCPVQXWRXKV-UHFFFAOYSA-N 2 0 187.331 0.700 10 0 ACAERP CO[C@H]1CC[N@@H+]([C@@H](C)CCC[NH3+])C1 234813050 571969914 /nfs/dbraw/zinc/96/99/14/571969914.db2.gz YBJFVIWJSNUUJB-UWVGGRQHSA-N 2 0 186.299 0.835 10 0 ACAERP COC[C@H]1CC[N@H+](CC[C@H](C)[NH3+])C1 81052937 571970463 /nfs/dbraw/zinc/97/04/63/571970463.db2.gz XYXBIRKRJZWBFP-UWVGGRQHSA-N 2 0 186.299 0.692 10 0 ACAERP CO[C@@H]1CC[N@H+](C[C@@H](C)[C@@H](C)[NH3+])C1 234832787 571971737 /nfs/dbraw/zinc/97/17/37/571971737.db2.gz TXHIMZUTAZAGKJ-OPRDCNLKSA-N 2 0 186.299 0.690 10 0 ACAERP COC[C@H]1CC[N@H+](C[C@H](C)C[NH3+])C1 81042632 571971741 /nfs/dbraw/zinc/97/17/41/571971741.db2.gz MTPQQBLUCPYVKE-ZJUUUORDSA-N 2 0 186.299 0.550 10 0 ACAERP COC[C@@H]1CC[N@H+](CCCC[NH3+])C1 81042534 571971878 /nfs/dbraw/zinc/97/18/78/571971878.db2.gz 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572041667 /nfs/dbraw/zinc/04/16/67/572041667.db2.gz FMTQHDVCUNZPIZ-NSHDSACASA-N 2 0 199.342 0.750 10 0 ACAERP CCC[NH+](CCC)CCNCC[NH3+] 113571101 572041566 /nfs/dbraw/zinc/04/15/66/572041566.db2.gz KDLKLPCCHUUUBF-UHFFFAOYSA-N 2 0 187.331 0.657 10 0 ACAERP C[NH+]1CCC([NH3+])([C@H]2CCCOC2)CC1 687701938 572041645 /nfs/dbraw/zinc/04/16/45/572041645.db2.gz PMSRNLQGCNPPAM-JTQLQIEISA-N 2 0 198.310 0.836 10 0 ACAERP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH3+])C1 36169353 572042122 /nfs/dbraw/zinc/04/21/22/572042122.db2.gz QFWRFJWHTUKPHX-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@H](C[NH3+])C[NH2+]C[C@@]12COC[C@@H]1C2 689262530 572042378 /nfs/dbraw/zinc/04/23/78/572042378.db2.gz PPJONOXGCJFLNX-UTLUCORTSA-N 2 0 184.283 0.207 10 0 ACAERP C[NH+](C)C1CC[NH+](CCCC[NH3+])CC1 36191274 572042479 /nfs/dbraw/zinc/04/24/79/572042479.db2.gz VVRNXYONKAEIKL-UHFFFAOYSA-N 3 0 199.342 0.751 10 0 ACAERP C[C@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CC[NH2+]C1 235602409 572042726 /nfs/dbraw/zinc/04/27/26/572042726.db2.gz OURWPOBGUVCXIM-GMTAPVOTSA-N 2 0 198.310 0.753 10 0 ACAERP CC[C@@H](C[NH3+])N1CCC([NH+](C)C)CC1 36191488 572042947 /nfs/dbraw/zinc/04/29/47/572042947.db2.gz GHPHPYZCAKHGLW-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP C[C@H]([NH3+])CCN1CCC([NH+](C)C)CC1 36192016 572043501 /nfs/dbraw/zinc/04/35/01/572043501.db2.gz JJIYEYOVPPSXGD-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP [NH3+]C1CC([NH+]2C[C@@H]3CSC[C@H]3C2)C1 711591805 572043981 /nfs/dbraw/zinc/04/39/81/572043981.db2.gz GLHNDXYRUMIHDS-LGUIWLBCSA-N 2 0 198.335 0.771 10 0 ACAERP [NH3+]C1CC([NH+]2C[C@H]3CSC[C@@H]3C2)C1 711591797 572044049 /nfs/dbraw/zinc/04/40/49/572044049.db2.gz GLHNDXYRUMIHDS-DKEVHCRPSA-N 2 0 198.335 0.771 10 0 ACAERP CC[NH2+][C@H](CCOC)CC[NH+](C)C 687702608 572044111 /nfs/dbraw/zinc/04/41/11/572044111.db2.gz GYTDPQHMEHFVJK-JTQLQIEISA-N 2 0 188.315 0.953 10 0 ACAERP C[NH+](C)C1CCN(CCC[NH3+])CC1 36191292 572044228 /nfs/dbraw/zinc/04/42/28/572044228.db2.gz CVIXLDPXPCLNAA-UHFFFAOYSA-N 2 0 185.315 0.361 10 0 ACAERP C[C@H](C[NH3+])CN1CCC([NH+](C)C)CC1 36191300 572044306 /nfs/dbraw/zinc/04/43/06/572044306.db2.gz WCYMPRXSEDHOJM-SNVBAGLBSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+]1CCC([C@@H]([NH3+])[C@H]2CC[NH2+]C2)CC1 114294299 572044442 /nfs/dbraw/zinc/04/44/42/572044442.db2.gz GSSDYIJVQKBACR-WDEREUQCSA-N 3 0 197.326 0.265 10 0 ACAERP CC(C)[NH+]1CCN(CCC(N)=[NH2+])CC1 36189969 572044604 /nfs/dbraw/zinc/04/46/04/572044604.db2.gz TUDJIWMMTJFVRG-UHFFFAOYSA-N 2 0 198.314 0.338 10 0 ACAERP [NH3+]CCCSCC[NH3+] 33902448 572044912 /nfs/dbraw/zinc/04/49/12/572044912.db2.gz CFKGMBWSBBAQQO-UHFFFAOYSA-N 2 0 134.248 0.027 10 0 ACAERP CC[NH2+][C@@H](CCOC)CC[NH+](C)C 687702609 572044926 /nfs/dbraw/zinc/04/49/26/572044926.db2.gz GYTDPQHMEHFVJK-SNVBAGLBSA-N 2 0 188.315 0.953 10 0 ACAERP C[C@H]1OCC[C@@]1(C)[NH2+]CCC1C[NH2+]C1 235596465 572044954 /nfs/dbraw/zinc/04/49/54/572044954.db2.gz KXKBOMLIQYWYOF-MWLCHTKSSA-N 2 0 198.310 0.753 10 0 ACAERP CC[C@H]([NH3+])[C@H](C)N1CC[N@H+](C)C[C@@H]1C 234037186 572045253 /nfs/dbraw/zinc/04/52/53/572045253.db2.gz LVMSIZWOTROORZ-DCAQKATOSA-N 2 0 199.342 0.748 10 0 ACAERP CC1(C)C[N@H+](CCCC[NH3+])CCO1 36231952 572045416 /nfs/dbraw/zinc/04/54/16/572045416.db2.gz YDNIYAWZWKLYAH-UHFFFAOYSA-N 2 0 186.299 0.836 10 0 ACAERP C[NH+]1CCC([C@H]([NH3+])[C@H]2CC[NH2+]C2)CC1 114294302 572045434 /nfs/dbraw/zinc/04/54/34/572045434.db2.gz GSSDYIJVQKBACR-QWRGUYRKSA-N 3 0 197.326 0.265 10 0 ACAERP C[C@H](C[N@@H+]1CCC[C@H](CO)C1)C(N)=[NH2+] 36227306 572045574 /nfs/dbraw/zinc/04/55/74/572045574.db2.gz XORZZTYBWNJORJ-BDAKNGLRSA-N 2 0 199.298 0.263 10 0 ACAERP C[C@@H](CC[NH+](C)C)NC[C@@H]1CCC[NH2+]1 235068739 572045711 /nfs/dbraw/zinc/04/57/11/572045711.db2.gz LWKUDKFFKHWRFI-QWRGUYRKSA-N 2 0 199.342 0.668 10 0 ACAERP C[NH+](C)C1CCN(CCC(N)=[NH2+])CC1 36192293 572046040 /nfs/dbraw/zinc/04/60/40/572046040.db2.gz RSZXHNASMJJOKS-UHFFFAOYSA-N 2 0 198.314 0.338 10 0 ACAERP C[C@H]1OCC[C@@]1(C)[NH2+]CC1(C[NH3+])CC1 235595534 572046127 /nfs/dbraw/zinc/04/61/27/572046127.db2.gz MMKCTNVKSSDZFH-NXEZZACHSA-N 2 0 198.310 0.882 10 0 ACAERP NC(=[NH2+])CCC[N@@H+]1CCC[C@@H](CO)C1 36227301 572046151 /nfs/dbraw/zinc/04/61/51/572046151.db2.gz LXNFHKWTLSPJTO-SECBINFHSA-N 2 0 199.298 0.407 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCC[C@@H](CO)C1 36226841 572046427 /nfs/dbraw/zinc/04/64/27/572046427.db2.gz BPYMBSBEMOQFMQ-SNVBAGLBSA-N 2 0 186.299 0.430 10 0 ACAERP CC[NH2+]C[C@H](C)N(C)CC[NH+](C)C 82543718 572046451 /nfs/dbraw/zinc/04/64/51/572046451.db2.gz UCQGRMBJBYQARA-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP CC[C@@H](C[NH3+])N1CC[C@@H]([NH+](C)C)C1 220054805 572046569 /nfs/dbraw/zinc/04/65/69/572046569.db2.gz WXRDJYYFJNGYGM-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@@H](C[N@@H+]1CCC[C@H](CO)C1)C(N)=[NH2+] 36227305 572046607 /nfs/dbraw/zinc/04/66/07/572046607.db2.gz XORZZTYBWNJORJ-IUCAKERBSA-N 2 0 199.298 0.263 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCO1 82560562 572046632 /nfs/dbraw/zinc/04/66/32/572046632.db2.gz ALHTZEACCQVVQN-VWYCJHECSA-N 2 0 198.310 0.611 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCCO1 82560560 572046789 /nfs/dbraw/zinc/04/67/89/572046789.db2.gz ALHTZEACCQVVQN-MXWKQRLJSA-N 2 0 198.310 0.611 10 0 ACAERP C[C@H](CCC[NH3+])[N@H+](C)CCN(C)C 82543797 572046837 /nfs/dbraw/zinc/04/68/37/572046837.db2.gz HJGNMXZNDBNDHT-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C[NH2+]CC[C@H](C)N(C)CC[NH+](C)C 82543722 572046897 /nfs/dbraw/zinc/04/68/97/572046897.db2.gz KTAPMWRXACNDAD-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP NC(=[NH2+])CC[N@@H+]1CC[C@@]2(CCOC2)C1 687886899 572046927 /nfs/dbraw/zinc/04/69/27/572046927.db2.gz GZFPUIOTGLZQNX-SNVBAGLBSA-N 2 0 197.282 0.425 10 0 ACAERP C[C@H](C(N)=[NH2+])N(C)C[C@@H]1CCCOC1 82544792 572046948 /nfs/dbraw/zinc/04/69/48/572046948.db2.gz DLDJXEGMUUFASV-BDAKNGLRSA-N 2 0 199.298 0.669 10 0 ACAERP CC1(C)C[N@H+](CCCC(N)=[NH2+])CCO1 36232617 572047170 /nfs/dbraw/zinc/04/71/70/572047170.db2.gz OVIYNMFIIIWLSO-UHFFFAOYSA-N 2 0 199.298 0.813 10 0 ACAERP C[NH2+]C[C@H](C)CN(C)CC[NH+](C)C 82543781 572047009 /nfs/dbraw/zinc/04/70/09/572047009.db2.gz YKSOIJZGWWRKAT-JTQLQIEISA-N 2 0 187.331 0.335 10 0 ACAERP C[NH2+]CCN1CCC([NH+](C)C)CC1 36192458 572047086 /nfs/dbraw/zinc/04/70/86/572047086.db2.gz BDEMLGIKKSMEEY-UHFFFAOYSA-N 2 0 185.315 0.232 10 0 ACAERP C[NH2+]C[C@@H](C)N(C)CCC[NH+](C)C 82543842 572047135 /nfs/dbraw/zinc/04/71/35/572047135.db2.gz ULUXVRTVDAQUEA-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP C[C@@H](C(N)=[NH2+])N(C)CC1CCOCC1 82544808 572047276 /nfs/dbraw/zinc/04/72/76/572047276.db2.gz CKOIVVHBAKMMSE-QMMMGPOBSA-N 2 0 199.298 0.669 10 0 ACAERP NC(=[NH2+])CC[N@@H+]1CC[C@]2(CCOC2)C1 687886893 572047281 /nfs/dbraw/zinc/04/72/81/572047281.db2.gz GZFPUIOTGLZQNX-JTQLQIEISA-N 2 0 197.282 0.425 10 0 ACAERP CC[C@H]([NH3+])[C@H](C)N1CC[C@@H]([NH+](C)C)C1 220073291 572047289 /nfs/dbraw/zinc/04/72/89/572047289.db2.gz LZWDQYKRJYWNQG-AXFHLTTASA-N 2 0 199.342 0.748 10 0 ACAERP C[NH2+]C[C@H](C)N(C)CC[NH+](C)C 82543743 572047461 /nfs/dbraw/zinc/04/74/61/572047461.db2.gz VFJNLIOEECBSLZ-VIFPVBQESA-N 2 0 173.304 0.088 10 0 ACAERP NC(=[NH2+])CCC[N@@H+]1CCC[C@H](CO)C1 36227300 572047419 /nfs/dbraw/zinc/04/74/19/572047419.db2.gz LXNFHKWTLSPJTO-VIFPVBQESA-N 2 0 199.298 0.407 10 0 ACAERP NC(=[NH2+])CC[N@@H+]1CCC[C@H](CO)C1 36227298 572047569 /nfs/dbraw/zinc/04/75/69/572047569.db2.gz MSJXOWZKTRNCTN-QMMMGPOBSA-N 2 0 185.271 0.017 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCC[C@H](CO)C1 36226839 572047597 /nfs/dbraw/zinc/04/75/97/572047597.db2.gz BPYMBSBEMOQFMQ-JTQLQIEISA-N 2 0 186.299 0.430 10 0 ACAERP CN(CC(N)=[NH2+])CC1CCOCC1 82544816 572047661 /nfs/dbraw/zinc/04/76/61/572047661.db2.gz ORWDYDVENNCSCS-UHFFFAOYSA-N 2 0 185.271 0.281 10 0 ACAERP C[C@@H](CCC[NH3+])[N@H+](C)CCN(C)C 82543796 572047621 /nfs/dbraw/zinc/04/76/21/572047621.db2.gz HJGNMXZNDBNDHT-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1CC1 82560550 572047650 /nfs/dbraw/zinc/04/76/50/572047650.db2.gz CSJGQCQECJBDCK-SCZZXKLOSA-N 2 0 168.284 0.842 10 0 ACAERP C[C@@H](C(N)=[NH2+])N(C)C[C@@H]1CCCOC1 82544791 572047758 /nfs/dbraw/zinc/04/77/58/572047758.db2.gz DLDJXEGMUUFASV-IUCAKERBSA-N 2 0 199.298 0.669 10 0 ACAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+]CC1CC1 82560551 572047933 /nfs/dbraw/zinc/04/79/33/572047933.db2.gz CSJGQCQECJBDCK-WPRPVWTQSA-N 2 0 168.284 0.842 10 0 ACAERP NC1=[NH+][C@@H](CCCC[NH3+])CS1 34016872 572047992 /nfs/dbraw/zinc/04/79/92/572047992.db2.gz BFLHUCDKEKVQHV-LURJTMIESA-N 2 0 173.285 0.546 10 0 ACAERP C[C@H](C[NH2+]C1CC1)N(C)CC[NH+](C)C 82543712 572048104 /nfs/dbraw/zinc/04/81/04/572048104.db2.gz OVYOYEHOQOBFKE-SNVBAGLBSA-N 2 0 199.342 0.620 10 0 ACAERP CC[NH2+]C[C@@H](C)N(C)CC[NH+](C)C 82543717 572048118 /nfs/dbraw/zinc/04/81/18/572048118.db2.gz UCQGRMBJBYQARA-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP C[NH2+]C[C@H](C)N(C)CCC[NH+](C)C 82543841 572048123 /nfs/dbraw/zinc/04/81/23/572048123.db2.gz ULUXVRTVDAQUEA-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP NC1=[NH+][C@H](CCCC[NH3+])CS1 34016873 572048153 /nfs/dbraw/zinc/04/81/53/572048153.db2.gz BFLHUCDKEKVQHV-ZCFIWIBFSA-N 2 0 173.285 0.546 10 0 ACAERP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CC1 82560549 572048159 /nfs/dbraw/zinc/04/81/59/572048159.db2.gz CSJGQCQECJBDCK-WCBMZHEXSA-N 2 0 168.284 0.842 10 0 ACAERP CC[C@H](C[NH2+]C)N(C)CC[NH+](C)C 82543821 572048179 /nfs/dbraw/zinc/04/81/79/572048179.db2.gz PSWZPKZEZAKQML-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP CC[C@@H](C[NH2+]C)N(C)CC[NH+](C)C 82543820 572048350 /nfs/dbraw/zinc/04/83/50/572048350.db2.gz PSWZPKZEZAKQML-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP C[C@H](C(N)=[NH2+])N(C)CC1CCOCC1 82544809 572048962 /nfs/dbraw/zinc/04/89/62/572048962.db2.gz CKOIVVHBAKMMSE-MRVPVSSYSA-N 2 0 199.298 0.669 10 0 ACAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCCO1 82560563 572048597 /nfs/dbraw/zinc/04/85/97/572048597.db2.gz ALHTZEACCQVVQN-DCAQKATOSA-N 2 0 198.310 0.611 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CC1 82560548 572048632 /nfs/dbraw/zinc/04/86/32/572048632.db2.gz CSJGQCQECJBDCK-PSASIEDQSA-N 2 0 168.284 0.842 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCOC1 82560862 572049997 /nfs/dbraw/zinc/04/99/97/572049997.db2.gz QJNRUOOYJAKBAR-VWYCJHECSA-N 2 0 198.310 0.468 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CCCC[NH2+]C1 82543934 572048683 /nfs/dbraw/zinc/04/86/83/572048683.db2.gz FIJGUNPVHHAFIT-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP C[NH2+]CC[C@@H](C)N(C)CC[NH+](C)C 82543725 572048694 /nfs/dbraw/zinc/04/86/94/572048694.db2.gz KTAPMWRXACNDAD-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP C[N@H+](CCC(N)=[NH2+])C[C@@H]1CCCOC1 82544790 572048748 /nfs/dbraw/zinc/04/87/48/572048748.db2.gz DUROXQQYLQLPSF-VIFPVBQESA-N 2 0 199.298 0.671 10 0 ACAERP CN(CC(N)=[NH2+])C[C@@H]1CCCOC1 82544801 572048791 /nfs/dbraw/zinc/04/87/91/572048791.db2.gz YUVKPPHVHVJGEK-QMMMGPOBSA-N 2 0 185.271 0.281 10 0 ACAERP C[C@H](NCCC[NH+](C)C)[C@@H](C)[NH3+] 393338919 572048875 /nfs/dbraw/zinc/04/88/75/572048875.db2.gz QPHPPSSSZWEVEK-BDAKNGLRSA-N 2 0 173.304 0.263 10 0 ACAERP CC(=[NH2+])N(C)CCC[NH+](C)C 82544132 572048888 /nfs/dbraw/zinc/04/88/88/572048888.db2.gz XCAIYEVZTLEDGR-UHFFFAOYSA-N 2 0 157.261 0.867 10 0 ACAERP C[NH+](C)CC[C@H]([NH3+])C[C@H]1CCCO1 687704297 572048902 /nfs/dbraw/zinc/04/89/02/572048902.db2.gz GIZCALNLQULTLB-VHSXEESVSA-N 2 0 186.299 0.835 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1CCCC[NH2+]C1 82543933 572048923 /nfs/dbraw/zinc/04/89/23/572048923.db2.gz FIJGUNPVHHAFIT-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP C[C@@H](CC[NH+](C)C)NC[C@H]1CCC[NH2+]1 235069284 572048980 /nfs/dbraw/zinc/04/89/80/572048980.db2.gz LWKUDKFFKHWRFI-WDEREUQCSA-N 2 0 199.342 0.668 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)NCCC[NH+](C)C 393338920 572049009 /nfs/dbraw/zinc/04/90/09/572049009.db2.gz QPHPPSSSZWEVEK-DTWKUNHWSA-N 2 0 173.304 0.263 10 0 ACAERP C[NH+](C)CC[C@@H]([NH3+])C[C@@H]1CCCO1 687704313 572049043 /nfs/dbraw/zinc/04/90/43/572049043.db2.gz GIZCALNLQULTLB-ZJUUUORDSA-N 2 0 186.299 0.835 10 0 ACAERP C[NH2+]C[C@@H](C)N(C)CC[NH+](C)C 82543744 572049086 /nfs/dbraw/zinc/04/90/86/572049086.db2.gz VFJNLIOEECBSLZ-SECBINFHSA-N 2 0 173.304 0.088 10 0 ACAERP C[NH2+]C[C@@H](C)CN(C)CC[NH+](C)C 82543782 572049120 /nfs/dbraw/zinc/04/91/20/572049120.db2.gz YKSOIJZGWWRKAT-SNVBAGLBSA-N 2 0 187.331 0.335 10 0 ACAERP COCC[N@H+](C)C[C@H]1C[NH2+]C[C@H]1C 82560610 572049289 /nfs/dbraw/zinc/04/92/89/572049289.db2.gz AQCJALPSDNSCDN-NXEZZACHSA-N 2 0 186.299 0.420 10 0 ACAERP C[C@H]1C[C@H]1[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560843 572049434 /nfs/dbraw/zinc/04/94/34/572049434.db2.gz JZCHHXXLVAHWIA-AATLWQCWSA-N 2 0 168.284 0.840 10 0 ACAERP COCC[NH2+]C[C@H]1C[NH2+]C[C@H]1C 82560852 572049437 /nfs/dbraw/zinc/04/94/37/572049437.db2.gz OZRIVEUUBNDTAJ-BDAKNGLRSA-N 2 0 172.272 0.078 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1CN(C)CC[NH+](C)C 82560957 572049492 /nfs/dbraw/zinc/04/94/92/572049492.db2.gz VXVPAZPTQJQOOD-MNOVXSKESA-N 2 0 199.342 0.335 10 0 ACAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]1C 82560842 572049702 /nfs/dbraw/zinc/04/97/02/572049702.db2.gz JZCHHXXLVAHWIA-XFWSIPNHSA-N 2 0 168.284 0.840 10 0 ACAERP C[C@@H]1C[C@]2(CC[C@H](C[NH3+])O2)CC[N@@H+]1C 686228268 572049823 /nfs/dbraw/zinc/04/98/23/572049823.db2.gz FCXLCDYUMQTANE-MXWKQRLJSA-N 2 0 198.310 0.977 10 0 ACAERP CC[N@@H+]1CCN(CCC[NH2+]C)[C@@H](C)C1 250212797 572049959 /nfs/dbraw/zinc/04/99/59/572049959.db2.gz CTZPUVLUIMTRTF-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP C[NH+](C)CC[C@@H]([NH3+])C[C@H]1CCCO1 687704288 572050065 /nfs/dbraw/zinc/05/00/65/572050065.db2.gz GIZCALNLQULTLB-NXEZZACHSA-N 2 0 186.299 0.835 10 0 ACAERP C[C@H]1C[NH2+]C[C@H]1CN(C)CC[NH+](C)C 82560958 572050154 /nfs/dbraw/zinc/05/01/54/572050154.db2.gz VXVPAZPTQJQOOD-QWRGUYRKSA-N 2 0 199.342 0.335 10 0 ACAERP C[NH+](C)CC[C@H]([NH3+])C[C@@H]1CCCO1 687704290 572050244 /nfs/dbraw/zinc/05/02/44/572050244.db2.gz GIZCALNLQULTLB-UWVGGRQHSA-N 2 0 186.299 0.835 10 0 ACAERP COCC[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560853 572050258 /nfs/dbraw/zinc/05/02/58/572050258.db2.gz OZRIVEUUBNDTAJ-IUCAKERBSA-N 2 0 172.272 0.078 10 0 ACAERP [NH3+]C1[C@H]2CC3CC[N@@H+](C2)C[C@H]1C3 34060646 572050405 /nfs/dbraw/zinc/05/04/05/572050405.db2.gz TUWPZSGRLTYOPP-XWJSGITJSA-N 2 0 166.268 0.675 10 0 ACAERP COCC[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560611 572050477 /nfs/dbraw/zinc/05/04/77/572050477.db2.gz AQCJALPSDNSCDN-VHSXEESVSA-N 2 0 186.299 0.420 10 0 ACAERP CCN1CCC[N@H+](C)C[C@H]1CC[NH3+] 250218532 572050583 /nfs/dbraw/zinc/05/05/83/572050583.db2.gz DLROFPNCWZGLEU-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP COCC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560613 572050585 /nfs/dbraw/zinc/05/05/85/572050585.db2.gz AQCJALPSDNSCDN-UWVGGRQHSA-N 2 0 186.299 0.420 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCOC1 82560860 572050690 /nfs/dbraw/zinc/05/06/90/572050690.db2.gz QJNRUOOYJAKBAR-OUAUKWLOSA-N 2 0 198.310 0.468 10 0 ACAERP C[C@@H]1C[C@@]2(CC[C@H](C[NH3+])O2)CC[N@@H+]1C 686228263 572050692 /nfs/dbraw/zinc/05/06/92/572050692.db2.gz FCXLCDYUMQTANE-GMTAPVOTSA-N 2 0 198.310 0.977 10 0 ACAERP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCOC1 82560861 572050700 /nfs/dbraw/zinc/05/07/00/572050700.db2.gz QJNRUOOYJAKBAR-GARJFASQSA-N 2 0 198.310 0.468 10 0 ACAERP C[C@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCOC1 82560863 572050710 /nfs/dbraw/zinc/05/07/10/572050710.db2.gz QJNRUOOYJAKBAR-DCAQKATOSA-N 2 0 198.310 0.468 10 0 ACAERP COCC[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 82560854 572050734 /nfs/dbraw/zinc/05/07/34/572050734.db2.gz OZRIVEUUBNDTAJ-RKDXNWHRSA-N 2 0 172.272 0.078 10 0 ACAERP CCC[NH2+]C[C@H]1CC[NH2+]C1 34070478 572050744 /nfs/dbraw/zinc/05/07/44/572050744.db2.gz KYOLWTXOYMKDRP-MRVPVSSYSA-N 2 0 142.246 0.596 10 0 ACAERP COCC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560855 572050761 /nfs/dbraw/zinc/05/07/61/572050761.db2.gz OZRIVEUUBNDTAJ-DTWKUNHWSA-N 2 0 172.272 0.078 10 0 ACAERP C[C@H]([NH3+])[C@H](C)NCCC[NH+](C)C 393338921 572051053 /nfs/dbraw/zinc/05/10/53/572051053.db2.gz QPHPPSSSZWEVEK-IUCAKERBSA-N 2 0 173.304 0.263 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1CN(C)CC[NH+](C)C 82560955 572051055 /nfs/dbraw/zinc/05/10/55/572051055.db2.gz VXVPAZPTQJQOOD-GHMZBOCLSA-N 2 0 199.342 0.335 10 0 ACAERP C[C@@H]1C[C@@]2(CC[C@@H](C[NH3+])O2)CC[N@@H+]1C 686228270 572051282 /nfs/dbraw/zinc/05/12/82/572051282.db2.gz FCXLCDYUMQTANE-OUAUKWLOSA-N 2 0 198.310 0.977 10 0 ACAERP CN(CC[NH+](C)C)c1cc(N)cc[nH+]1 82539791 572051476 /nfs/dbraw/zinc/05/14/76/572051476.db2.gz GUJRWBCDWXJSOU-UHFFFAOYSA-N 2 0 194.282 0.662 10 0 ACAERP C[C@H]([NH3+])CCC[N@H+](C)CCN(C)C 82540717 572051522 /nfs/dbraw/zinc/05/15/22/572051522.db2.gz YGNDQTGVOJCHGF-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP C[C@@H]1C[C@]2(CC[C@@H](C[NH3+])O2)CC[N@@H+]1C 686228271 572051558 /nfs/dbraw/zinc/05/15/58/572051558.db2.gz FCXLCDYUMQTANE-VWYCJHECSA-N 2 0 198.310 0.977 10 0 ACAERP C[C@@H]([NH3+])[C@@H](C)NCCC[NH+](C)C 393338922 572051564 /nfs/dbraw/zinc/05/15/64/572051564.db2.gz QPHPPSSSZWEVEK-RKDXNWHRSA-N 2 0 173.304 0.263 10 0 ACAERP CN(CCC[NH+](C)C)C[C@H]1CC[NH2+]C1 82541817 572051565 /nfs/dbraw/zinc/05/15/65/572051565.db2.gz TXNYMJSMZOLKRD-NSHDSACASA-N 2 0 199.342 0.479 10 0 ACAERP CC[C@H](CC[NH3+])N(C)CC[NH+](C)C 82539845 572051602 /nfs/dbraw/zinc/05/16/02/572051602.db2.gz UCIVOOIEJJKZCD-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C[NH2+][C@@H]1CCC[C@@H]1N(C)CC[NH+](C)C 82540669 572051609 /nfs/dbraw/zinc/05/16/09/572051609.db2.gz SZJATFGXSVFUQK-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP C[NH2+][C@H]1CCC[C@H]1N(C)CC[NH+](C)C 82540680 572051618 /nfs/dbraw/zinc/05/16/18/572051618.db2.gz SZJATFGXSVFUQK-WDEREUQCSA-N 2 0 199.342 0.620 10 0 ACAERP CCC[C@@H](C[NH3+])N(C)CC[NH+](C)C 82540216 572051620 /nfs/dbraw/zinc/05/16/20/572051620.db2.gz HWIAAKAHWXAGIQ-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP C[C@@H]([NH3+])CCN(C)CCC[NH+](C)C 82541180 572051659 /nfs/dbraw/zinc/05/16/59/572051659.db2.gz DSUPNYSTDPFKRG-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C[C@H]1CC[C@H](N(C)CC[NH+](C)C)C[NH2+]1 82542123 572051676 /nfs/dbraw/zinc/05/16/76/572051676.db2.gz QMIBTCDGTZDJCX-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP CC[NH2+][C@@H](C)CN(C)CC[NH+](C)C 82540947 572051714 /nfs/dbraw/zinc/05/17/14/572051714.db2.gz HABHXCNLHUSVAN-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP CN(CCC[NH+](C)C)C(C)(C)C[NH3+] 82540245 572051724 /nfs/dbraw/zinc/05/17/24/572051724.db2.gz JEBJIZHOSPQHTI-UHFFFAOYSA-N 2 0 187.331 0.607 10 0 ACAERP CC[C@H]([NH3+])[C@H](C)N(C)CC[NH+](C)C 82540960 572051726 /nfs/dbraw/zinc/05/17/26/572051726.db2.gz ZLNRDVKWTSCCBG-UWVGGRQHSA-N 2 0 187.331 0.606 10 0 ACAERP CCC[C@H](C[NH3+])N(C)CC[NH+](C)C 82540218 572052205 /nfs/dbraw/zinc/05/22/05/572052205.db2.gz HWIAAKAHWXAGIQ-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C[NH2+][C@H](CC[NH+](C)C)[C@H](C)COC 687705099 572052328 /nfs/dbraw/zinc/05/23/28/572052328.db2.gz FEKDKKLNSKPGGO-NXEZZACHSA-N 2 0 188.315 0.809 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CCC[C@@H]1C[NH3+] 82539839 572051834 /nfs/dbraw/zinc/05/18/34/572051834.db2.gz YNTXEUXDIPJDNB-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP C[NH2+][C@@H](C)CCN(C)CC[NH+](C)C 82540697 572051840 /nfs/dbraw/zinc/05/18/40/572051840.db2.gz WDDWZGXXPJYBRI-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP CC[C@@H](C[NH3+])N(C)CCC[NH+](C)C 82539894 572051856 /nfs/dbraw/zinc/05/18/56/572051856.db2.gz PLQUKPSGFJNGLK-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP CC[C@H](C(N)=[NH2+])N(C)CC[NH+](C)C 82542061 572051895 /nfs/dbraw/zinc/05/18/95/572051895.db2.gz KPQXAQPCGLVXNY-MRVPVSSYSA-N 2 0 186.303 0.194 10 0 ACAERP C[C@@H](CC[NH3+])C[N@@H+]1CCN(C)C[C@@H]1C 235073812 572051918 /nfs/dbraw/zinc/05/19/18/572051918.db2.gz YPYALBQYRZVWIX-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH2+][C@H](CC[NH+](C)C)[C@@H](C)COC 687705106 572051940 /nfs/dbraw/zinc/05/19/40/572051940.db2.gz FEKDKKLNSKPGGO-VHSXEESVSA-N 2 0 188.315 0.809 10 0 ACAERP CN(CCC[NH2+]C1CC1)CC[NH+](C)C 82540820 572051956 /nfs/dbraw/zinc/05/19/56/572051956.db2.gz DGQAZAOOURXFRE-UHFFFAOYSA-N 2 0 199.342 0.622 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1CCC[C@@H]1C[NH3+] 82539837 572051963 /nfs/dbraw/zinc/05/19/63/572051963.db2.gz YNTXEUXDIPJDNB-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@@H]1CC[C@@H](N(C)CC[NH+](C)C)C[NH2+]1 82542126 572051974 /nfs/dbraw/zinc/05/19/74/572051974.db2.gz QMIBTCDGTZDJCX-GHMZBOCLSA-N 2 0 199.342 0.620 10 0 ACAERP C[C@H]1CC[C@@H](N(C)CC[NH+](C)C)C[NH2+]1 82542128 572051985 /nfs/dbraw/zinc/05/19/85/572051985.db2.gz QMIBTCDGTZDJCX-WDEREUQCSA-N 2 0 199.342 0.620 10 0 ACAERP CN(C)CC[N@H+](C)CC1CC[NH2+]CC1 82541706 572052024 /nfs/dbraw/zinc/05/20/24/572052024.db2.gz PVBRFNLBZOUOJU-UHFFFAOYSA-N 2 0 199.342 0.479 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C 82540757 572052099 /nfs/dbraw/zinc/05/20/99/572052099.db2.gz ZLXCYFFVRFQOAP-DTWKUNHWSA-N 2 0 173.304 0.216 10 0 ACAERP CC[C@@H](CC[NH3+])N(C)CC[NH+](C)C 82539843 572052127 /nfs/dbraw/zinc/05/21/27/572052127.db2.gz UCIVOOIEJJKZCD-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP C[C@@H]1CC[C@H](N(C)CC[NH+](C)C)C[NH2+]1 82542121 572052152 /nfs/dbraw/zinc/05/21/52/572052152.db2.gz QMIBTCDGTZDJCX-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP C[NH2+][C@@H](C)[C@@H](C)N(C)CC[NH+](C)C 82540828 572052323 /nfs/dbraw/zinc/05/23/23/572052323.db2.gz UBPAMBGCCXFVQT-VHSXEESVSA-N 2 0 187.331 0.476 10 0 ACAERP CN(CC[NH+](C)C)C[C@@H]1CCC[NH2+]1 82541702 572052249 /nfs/dbraw/zinc/05/22/49/572052249.db2.gz XIDWBVVUNCEXFY-JTQLQIEISA-N 2 0 185.315 0.232 10 0 ACAERP CN(CCC[NH+](C)C)C[C@H]1CCC[NH2+]1 82541773 572052260 /nfs/dbraw/zinc/05/22/60/572052260.db2.gz OBTUIGDCQSVWIN-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP C[NH2+][C@H](C)CN(C)CC[NH+](C)C 82540724 572052277 /nfs/dbraw/zinc/05/22/77/572052277.db2.gz DOWFQHQLDJGEAV-SECBINFHSA-N 2 0 173.304 0.088 10 0 ACAERP CN(CCCC(N)=[NH2+])CC[NH+](C)C 82542052 572052309 /nfs/dbraw/zinc/05/23/09/572052309.db2.gz YLERDNGPJFREJN-UHFFFAOYSA-N 2 0 186.303 0.196 10 0 ACAERP CC(C)[C@H](C[NH3+])N(C)CC[NH+](C)C 82540230 572052391 /nfs/dbraw/zinc/05/23/91/572052391.db2.gz FZSZTWIFXRXRMB-JTQLQIEISA-N 2 0 187.331 0.463 10 0 ACAERP CC1(C)CNC[NH2+]C1 34085439 572052408 /nfs/dbraw/zinc/05/24/08/572052408.db2.gz XNFYEILJPMDXQD-UHFFFAOYSA-N 2 0 114.192 0.163 10 0 ACAERP CC[NH+](CC)C[C@H]([NH3+])[C@H](C)COC 687705246 572052415 /nfs/dbraw/zinc/05/24/15/572052415.db2.gz ISXNTQJYJFHMTA-ZJUUUORDSA-N 2 0 188.315 0.938 10 0 ACAERP C[C@@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C 82540759 572052442 /nfs/dbraw/zinc/05/24/42/572052442.db2.gz ZLXCYFFVRFQOAP-RKDXNWHRSA-N 2 0 173.304 0.216 10 0 ACAERP CC[NH+](CC)C[C@@H]([NH3+])[C@@H](C)COC 687705245 572052531 /nfs/dbraw/zinc/05/25/31/572052531.db2.gz ISXNTQJYJFHMTA-VHSXEESVSA-N 2 0 188.315 0.938 10 0 ACAERP C[NH2+][C@@H](CC[NH+](C)C)[C@H](C)COC 687705107 572052546 /nfs/dbraw/zinc/05/25/46/572052546.db2.gz FEKDKKLNSKPGGO-ZJUUUORDSA-N 2 0 188.315 0.809 10 0 ACAERP CN(CC[NH+](C)C)[C@H](C[NH3+])C1CC1 82540071 572052556 /nfs/dbraw/zinc/05/25/56/572052556.db2.gz ZPHZDNQSXOFYSI-SNVBAGLBSA-N 2 0 185.315 0.217 10 0 ACAERP CN(CC[NH+](C)C)C[C@H]1CC[NH2+]C1 82541729 572052588 /nfs/dbraw/zinc/05/25/88/572052588.db2.gz SRRDDKNBAGOVJD-JTQLQIEISA-N 2 0 185.315 0.089 10 0 ACAERP CC[C@@H]([NH3+])[C@H](C)N(C)CC[NH+](C)C 82540962 572052646 /nfs/dbraw/zinc/05/26/46/572052646.db2.gz ZLNRDVKWTSCCBG-VHSXEESVSA-N 2 0 187.331 0.606 10 0 ACAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])C1CC1 82540258 572052649 /nfs/dbraw/zinc/05/26/49/572052649.db2.gz BRVWAKQORBCKMN-LLVKDONJSA-N 2 0 199.342 0.607 10 0 ACAERP CC[C@@H](CN(C)CC[NH+](C)C)[NH2+]C 82541010 572052666 /nfs/dbraw/zinc/05/26/66/572052666.db2.gz NATVJKXKALFASZ-JTQLQIEISA-N 2 0 187.331 0.478 10 0 ACAERP C[NH2+][C@H](C)[C@H](C)N(C)CC[NH+](C)C 82540837 572052675 /nfs/dbraw/zinc/05/26/75/572052675.db2.gz UBPAMBGCCXFVQT-ZJUUUORDSA-N 2 0 187.331 0.476 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1CCC[C@@H]1[NH3+] 82540637 572052688 /nfs/dbraw/zinc/05/26/88/572052688.db2.gz XZWLAPWUFUDSDU-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP CC[C@@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C 82540956 572052693 /nfs/dbraw/zinc/05/26/93/572052693.db2.gz ZLNRDVKWTSCCBG-NXEZZACHSA-N 2 0 187.331 0.606 10 0 ACAERP CC[NH+](CC)C[C@@H]([NH3+])[C@H](C)COC 687705225 572052696 /nfs/dbraw/zinc/05/26/96/572052696.db2.gz ISXNTQJYJFHMTA-NXEZZACHSA-N 2 0 188.315 0.938 10 0 ACAERP C[NH2+][C@H](C)CCN(C)CC[NH+](C)C 82540701 572052697 /nfs/dbraw/zinc/05/26/97/572052697.db2.gz WDDWZGXXPJYBRI-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP CN(CCC[NH+](C)C)CC[NH2+]C1CC1 82541240 572052733 /nfs/dbraw/zinc/05/27/33/572052733.db2.gz AHCGLGNIMHJKCN-UHFFFAOYSA-N 2 0 199.342 0.622 10 0 ACAERP CN(C)CC[N@H+](C)CCCCC[NH3+] 82539825 572052739 /nfs/dbraw/zinc/05/27/39/572052739.db2.gz CXSSFPHRHCVOHL-UHFFFAOYSA-N 2 0 187.331 0.609 10 0 ACAERP CC[N@@H+]1CCN(C)[C@@H](CC[NH2+]C)C1 250215968 572053107 /nfs/dbraw/zinc/05/31/07/572053107.db2.gz DEQCBEQUYCHTAK-JTQLQIEISA-N 2 0 185.315 0.232 10 0 ACAERP COC[C@@H](C)[C@H]([NH3+])C(C)(C)[NH+](C)C 687704970 572052785 /nfs/dbraw/zinc/05/27/85/572052785.db2.gz CVBOHKYBQOQTAS-BDAKNGLRSA-N 2 0 188.315 0.936 10 0 ACAERP C[C@H]([NH3+])[C@H](C)N(C)CCC[NH+](C)C 82541188 572052828 /nfs/dbraw/zinc/05/28/28/572052828.db2.gz QHWFMLFWIJIUPV-UWVGGRQHSA-N 2 0 187.331 0.606 10 0 ACAERP C[C@@H]([NH3+])[C@@H](C)N(C)CCC[NH+](C)C 82541185 572052837 /nfs/dbraw/zinc/05/28/37/572052837.db2.gz QHWFMLFWIJIUPV-NXEZZACHSA-N 2 0 187.331 0.606 10 0 ACAERP COC[C@H](C)[C@@H]([NH3+])C(C)(C)[NH+](C)C 687704971 572052838 /nfs/dbraw/zinc/05/28/38/572052838.db2.gz CVBOHKYBQOQTAS-DTWKUNHWSA-N 2 0 188.315 0.936 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)N(C)CCC[NH+](C)C 82541182 572052871 /nfs/dbraw/zinc/05/28/71/572052871.db2.gz QHWFMLFWIJIUPV-VHSXEESVSA-N 2 0 187.331 0.606 10 0 ACAERP CC[C@H](C[NH3+])N(C)CC[NH+](C)C 82539829 572052935 /nfs/dbraw/zinc/05/29/35/572052935.db2.gz RAXQVKHZQQFMIO-SECBINFHSA-N 2 0 173.304 0.217 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CCCC[C@@H]1[NH3+] 82540736 572052958 /nfs/dbraw/zinc/05/29/58/572052958.db2.gz XFWMILOVOPYRHB-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CN(CC[NH+](C)C)[C@@](C)(C[NH3+])C1CC1 82540130 572053087 /nfs/dbraw/zinc/05/30/87/572053087.db2.gz GYLJNYQNAFYJMP-NSHDSACASA-N 2 0 199.342 0.607 10 0 ACAERP C[C@H](C(N)=[NH2+])N(C)CCC[NH+](C)C 82542074 572053169 /nfs/dbraw/zinc/05/31/69/572053169.db2.gz HNOASBKDWMGGJN-MRVPVSSYSA-N 2 0 186.303 0.194 10 0 ACAERP CC[N@@H+]1CCCN(C)[C@@H](CC[NH2+]C)C1 250215123 572053216 /nfs/dbraw/zinc/05/32/16/572053216.db2.gz DBPRIULSGRURIW-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CN(CC[NH+](C)C)C[C@H]1CCC[NH2+]1 82541704 572053218 /nfs/dbraw/zinc/05/32/18/572053218.db2.gz XIDWBVVUNCEXFY-SNVBAGLBSA-N 2 0 185.315 0.232 10 0 ACAERP C[NH2+][C@H](C)[C@@H](C)N(C)CC[NH+](C)C 82540830 572053236 /nfs/dbraw/zinc/05/32/36/572053236.db2.gz UBPAMBGCCXFVQT-NXEZZACHSA-N 2 0 187.331 0.476 10 0 ACAERP CC[C@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C 82540953 572053274 /nfs/dbraw/zinc/05/32/74/572053274.db2.gz ZLNRDVKWTSCCBG-ZJUUUORDSA-N 2 0 187.331 0.606 10 0 ACAERP C[NH2+][C@@H](C)CN(C)CC[NH+](C)C 82540722 572053300 /nfs/dbraw/zinc/05/33/00/572053300.db2.gz DOWFQHQLDJGEAV-VIFPVBQESA-N 2 0 173.304 0.088 10 0 ACAERP CC[C@H](C[NH3+])N(C)CCC[NH+](C)C 82539895 572053377 /nfs/dbraw/zinc/05/33/77/572053377.db2.gz PLQUKPSGFJNGLK-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C[NH2+][C@@H](CC[NH+](C)C)[C@@H](C)COC 687705104 572053528 /nfs/dbraw/zinc/05/35/28/572053528.db2.gz FEKDKKLNSKPGGO-UWVGGRQHSA-N 2 0 188.315 0.809 10 0 ACAERP CC[NH2+][C@H](C)CN(C)CC[NH+](C)C 82540950 572053534 /nfs/dbraw/zinc/05/35/34/572053534.db2.gz HABHXCNLHUSVAN-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP CC1N[C@H](C)C[C@@H](C)[NH2+]1 34085437 572053559 /nfs/dbraw/zinc/05/35/59/572053559.db2.gz VXIKTRXNQQSCEB-PHDIDXHHSA-N 2 0 128.219 0.692 10 0 ACAERP CC[NH+](CC)C[C@H]([NH3+])[C@@H](C)COC 687705244 572053566 /nfs/dbraw/zinc/05/35/66/572053566.db2.gz ISXNTQJYJFHMTA-UWVGGRQHSA-N 2 0 188.315 0.938 10 0 ACAERP COC[C@@H](C)[C@@H]([NH3+])C(C)(C)[NH+](C)C 687704975 572053574 /nfs/dbraw/zinc/05/35/74/572053574.db2.gz CVBOHKYBQOQTAS-RKDXNWHRSA-N 2 0 188.315 0.936 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CCC[C@@H]1[NH3+] 82540639 572053591 /nfs/dbraw/zinc/05/35/91/572053591.db2.gz XZWLAPWUFUDSDU-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H]([NH3+])CCN(C)CCC[NH+](C)C 82541178 572053597 /nfs/dbraw/zinc/05/35/97/572053597.db2.gz DSUPNYSTDPFKRG-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP CCC[C@@H]([NH3+])CN(C)CC[NH+](C)C 82540968 572053612 /nfs/dbraw/zinc/05/36/12/572053612.db2.gz GUYAXCLCXPMMIE-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP COC[C@H](C)[C@H]([NH3+])C(C)(C)[NH+](C)C 687704973 572053628 /nfs/dbraw/zinc/05/36/28/572053628.db2.gz CVBOHKYBQOQTAS-IUCAKERBSA-N 2 0 188.315 0.936 10 0 ACAERP CC1N[C@@H](C)C[C@H](C)[NH2+]1 34085435 572053641 /nfs/dbraw/zinc/05/36/41/572053641.db2.gz VXIKTRXNQQSCEB-WDSKDSINSA-N 2 0 128.219 0.692 10 0 ACAERP CN(C)CC[N@H+](C)C1CCC([NH3+])CC1 82541965 572053672 /nfs/dbraw/zinc/05/36/72/572053672.db2.gz QWRSWWPVBQYDKR-UHFFFAOYSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@@H]([NH3+])CCC[N@H+](C)CCN(C)C 82540719 572053690 /nfs/dbraw/zinc/05/36/90/572053690.db2.gz YGNDQTGVOJCHGF-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP CN(CC[NH+](C)C)[C@](C)(C[NH3+])C1CC1 82540128 572053729 /nfs/dbraw/zinc/05/37/29/572053729.db2.gz GYLJNYQNAFYJMP-LLVKDONJSA-N 2 0 199.342 0.607 10 0 ACAERP CC[NH2+]CCN(C)CCC[NH+](C)C 82541256 572053760 /nfs/dbraw/zinc/05/37/60/572053760.db2.gz YZVCDWUKOACVCJ-UHFFFAOYSA-N 2 0 187.331 0.479 10 0 ACAERP CN(CC[NH+](C)C)C[C@@H]1CC[NH2+]C1 82541727 572053815 /nfs/dbraw/zinc/05/38/15/572053815.db2.gz SRRDDKNBAGOVJD-SNVBAGLBSA-N 2 0 185.315 0.089 10 0 ACAERP C[C@@H]([NH3+])CCN(C)CC[NH+](C)C 82540755 572053821 /nfs/dbraw/zinc/05/38/21/572053821.db2.gz NKVBMMSBEQCPJJ-SECBINFHSA-N 2 0 173.304 0.217 10 0 ACAERP C[C@@H](C[N@H+](C)C1CCOCC1)C(N)=[NH2+] 36321357 572053835 /nfs/dbraw/zinc/05/38/35/572053835.db2.gz QEBHOKLCDQYJGP-QMMMGPOBSA-N 2 0 199.298 0.669 10 0 ACAERP C[NH2+][C@@H]1CCC[C@H]1N(C)CC[NH+](C)C 82540677 572053839 /nfs/dbraw/zinc/05/38/39/572053839.db2.gz SZJATFGXSVFUQK-GHMZBOCLSA-N 2 0 199.342 0.620 10 0 ACAERP C[NH2+][C@H]1CCC[C@@H]1N(C)CC[NH+](C)C 82540673 572053895 /nfs/dbraw/zinc/05/38/95/572053895.db2.gz SZJATFGXSVFUQK-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP CN(CC[NH+](C)C)C[C@H]1CCCC[NH2+]1 82541679 572053905 /nfs/dbraw/zinc/05/39/05/572053905.db2.gz CCLHRFLHEOCMCD-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])C1CC1 82540068 572053923 /nfs/dbraw/zinc/05/39/23/572053923.db2.gz ZPHZDNQSXOFYSI-JTQLQIEISA-N 2 0 185.315 0.217 10 0 ACAERP C[C@@H](CC[NH3+])SCCOCC[NH3+] 235092171 572053928 /nfs/dbraw/zinc/05/39/28/572053928.db2.gz PGDWOZBVROAGDN-QMMMGPOBSA-N 2 0 192.328 0.432 10 0 ACAERP C[C@H](C[N@H+](C)C1CCOCC1)C(N)=[NH2+] 36321359 572053936 /nfs/dbraw/zinc/05/39/36/572053936.db2.gz QEBHOKLCDQYJGP-MRVPVSSYSA-N 2 0 199.298 0.669 10 0 ACAERP CN(CCC[NH+](C)C)C[C@@H]1CC[NH2+]C1 82541814 572053941 /nfs/dbraw/zinc/05/39/41/572053941.db2.gz TXNYMJSMZOLKRD-LLVKDONJSA-N 2 0 199.342 0.479 10 0 ACAERP C[NH2+][C@@H](C)[C@H](C)N(C)CC[NH+](C)C 82540834 572053983 /nfs/dbraw/zinc/05/39/83/572053983.db2.gz UBPAMBGCCXFVQT-UWVGGRQHSA-N 2 0 187.331 0.476 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]C[C@H](C)n1cccn1 235086561 572054069 /nfs/dbraw/zinc/05/40/69/572054069.db2.gz ADIUDNXHVPYTBJ-UWVGGRQHSA-N 2 0 196.298 0.771 10 0 ACAERP C[C@@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C 82541193 572054107 /nfs/dbraw/zinc/05/41/07/572054107.db2.gz QHWFMLFWIJIUPV-ZJUUUORDSA-N 2 0 187.331 0.606 10 0 ACAERP C[C@@H]([C@@H](C)[NH3+])N(C)CC[NH+](C)C 82540763 572054126 /nfs/dbraw/zinc/05/41/26/572054126.db2.gz ZLXCYFFVRFQOAP-BDAKNGLRSA-N 2 0 173.304 0.216 10 0 ACAERP CC(C)[C@@H](C[NH3+])N(C)CC[NH+](C)C 82540228 572054148 /nfs/dbraw/zinc/05/41/48/572054148.db2.gz FZSZTWIFXRXRMB-SNVBAGLBSA-N 2 0 187.331 0.463 10 0 ACAERP CC[NH2+]CCCN(C)CC[NH+](C)C 82541016 572054185 /nfs/dbraw/zinc/05/41/85/572054185.db2.gz XHMPLQSGDANPFN-UHFFFAOYSA-N 2 0 187.331 0.479 10 0 ACAERP CC[C@@H](C(N)=[NH2+])N(C)CC[NH+](C)C 82542059 572054205 /nfs/dbraw/zinc/05/42/05/572054205.db2.gz KPQXAQPCGLVXNY-QMMMGPOBSA-N 2 0 186.303 0.194 10 0 ACAERP C[NH+](C)CCC[N@H+](C)CC(N)=S 82541598 572054213 /nfs/dbraw/zinc/05/42/13/572054213.db2.gz LLPKORBZQFGWRR-UHFFFAOYSA-N 2 0 189.328 0.156 10 0 ACAERP C[C@H]([NH3+])CCN(C)CC[NH+](C)C 82540754 572054231 /nfs/dbraw/zinc/05/42/31/572054231.db2.gz NKVBMMSBEQCPJJ-VIFPVBQESA-N 2 0 173.304 0.217 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1CCCC[C@@H]1[NH3+] 82540734 572054238 /nfs/dbraw/zinc/05/42/38/572054238.db2.gz XFWMILOVOPYRHB-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@H]([NH3+])[C@H](C)N(C)CC[NH+](C)C 82540761 572054261 /nfs/dbraw/zinc/05/42/61/572054261.db2.gz ZLXCYFFVRFQOAP-IUCAKERBSA-N 2 0 173.304 0.216 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]C[C@@H](C)n1cccn1 235086348 572054318 /nfs/dbraw/zinc/05/43/18/572054318.db2.gz ADIUDNXHVPYTBJ-VHSXEESVSA-N 2 0 196.298 0.771 10 0 ACAERP CC[C@@H](C[NH3+])N(C)CC[NH+](C)C 82539827 572054289 /nfs/dbraw/zinc/05/42/89/572054289.db2.gz RAXQVKHZQQFMIO-VIFPVBQESA-N 2 0 173.304 0.217 10 0 ACAERP CN(CCC[NH+](C)C)C[C@@H]1CCC[NH2+]1 82541771 572054294 /nfs/dbraw/zinc/05/42/94/572054294.db2.gz OBTUIGDCQSVWIN-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC[C@H](CN(C)CC[NH+](C)C)[NH2+]C 82541014 572054295 /nfs/dbraw/zinc/05/42/95/572054295.db2.gz NATVJKXKALFASZ-SNVBAGLBSA-N 2 0 187.331 0.478 10 0 ACAERP CN(CC[NH+](C)C)C[C@H]1CCC[NH2+]C1 82541692 572054298 /nfs/dbraw/zinc/05/42/98/572054298.db2.gz NKCUVKDFXJUMPM-NSHDSACASA-N 2 0 199.342 0.479 10 0 ACAERP CC[C@@H]1COCC[N@@H+]1CCCC[NH3+] 36322981 572054454 /nfs/dbraw/zinc/05/44/54/572054454.db2.gz CJPPGQDDDHAYQA-SNVBAGLBSA-N 2 0 186.299 0.836 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]C[C@H](C)n1cncn1 235086600 572054490 /nfs/dbraw/zinc/05/44/90/572054490.db2.gz PLAKWXPVPPBUQP-IUCAKERBSA-N 2 0 197.286 0.166 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]Cc1cncn1C 235088644 572054776 /nfs/dbraw/zinc/05/47/76/572054776.db2.gz USMFOCLMCKPBKR-QMMMGPOBSA-N 2 0 182.271 0.247 10 0 ACAERP Cc1nccn1CCN(C)C[C@@H](C)[NH3+] 82594992 572054591 /nfs/dbraw/zinc/05/45/91/572054591.db2.gz NDVDAJDFFHOOTK-SECBINFHSA-N 2 0 196.298 0.471 10 0 ACAERP C[C@H](C[NH3+])CC[NH2+][C@@H]1C[C@@H]1C 220086987 572054604 /nfs/dbraw/zinc/05/46/04/572054604.db2.gz WPWVLZXMTKQELE-XHNCKOQMSA-N 2 0 156.273 0.969 10 0 ACAERP Cc1cc[nH+]c(NCCOCC[NH3+])c1 82592224 572054782 /nfs/dbraw/zinc/05/47/82/572054782.db2.gz BOWZOAQAYMSONV-UHFFFAOYSA-N 2 0 195.266 0.777 10 0 ACAERP C[C@@H](O)CC[N@H+](C)CCC[NH+](C)C 82543190 572054736 /nfs/dbraw/zinc/05/47/36/572054736.db2.gz UFXJITTUPXCGHM-SNVBAGLBSA-N 2 0 188.315 0.641 10 0 ACAERP CN(CC[NH+](C)C)C(=[NH2+])NC1CC1 82542560 572054973 /nfs/dbraw/zinc/05/49/73/572054973.db2.gz SYNMTHXHWBPDLD-UHFFFAOYSA-N 2 0 184.287 0.167 10 0 ACAERP CC[C@H]1COCC[N@@H+]1CCCC[NH3+] 36322984 572054891 /nfs/dbraw/zinc/05/48/91/572054891.db2.gz CJPPGQDDDHAYQA-JTQLQIEISA-N 2 0 186.299 0.836 10 0 ACAERP C[C@@H]([C@@H](C)O)[N@H+](C)CCC[NH+](C)C 82543215 572054925 /nfs/dbraw/zinc/05/49/25/572054925.db2.gz FIRCFNNGGHKRNN-VHSXEESVSA-N 2 0 188.315 0.639 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]Cc1c[nH]ccc1=O 235086836 572055002 /nfs/dbraw/zinc/05/50/02/572055002.db2.gz KQUGHDYGHWFOOX-QMMMGPOBSA-N 2 0 195.266 0.202 10 0 ACAERP C[NH2+]C(C)(C)CN(C)CC[NH+](C)C 82542718 572055012 /nfs/dbraw/zinc/05/50/12/572055012.db2.gz HWDGNPGIABHSMB-UHFFFAOYSA-N 2 0 187.331 0.478 10 0 ACAERP CC[C@H](O)C[N@H+](C)CCC[NH+](C)C 82542910 572055059 /nfs/dbraw/zinc/05/50/59/572055059.db2.gz MJBIVEXRYDWOIW-JTQLQIEISA-N 2 0 188.315 0.641 10 0 ACAERP Cc1cc(N(CC[NH3+])C2CC2)ncn1 82592777 572055304 /nfs/dbraw/zinc/05/53/04/572055304.db2.gz ULXLOAQNDOHXMV-UHFFFAOYSA-N 2 0 192.266 0.713 10 0 ACAERP C[C@@H]([NH3+])CN(C)CCC[NH+]1CCCC1 82594708 572055319 /nfs/dbraw/zinc/05/53/19/572055319.db2.gz YOKNSIZYFBTPFB-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP Cc1nccc(N(CC[NH3+])C2CC2)n1 82592775 572055323 /nfs/dbraw/zinc/05/53/23/572055323.db2.gz USLACSWHEAEFNO-UHFFFAOYSA-N 2 0 192.266 0.713 10 0 ACAERP C1C[C@H]([NH+]2C[C@H]3CSC[C@@H]3C2)C[NH2+]1 711643199 572055383 /nfs/dbraw/zinc/05/53/83/572055383.db2.gz ZHOXIXJCZOZOSU-GUBZILKMSA-N 2 0 198.335 0.643 10 0 ACAERP [NH3+]CCOCCNc1cc[nH+]cc1 82592196 572055497 /nfs/dbraw/zinc/05/54/97/572055497.db2.gz RFHQDIYPCSKPMI-UHFFFAOYSA-N 2 0 181.239 0.469 10 0 ACAERP Cc1nccn1CCN(C)C[C@H](C)[NH3+] 82594993 572055512 /nfs/dbraw/zinc/05/55/12/572055512.db2.gz NDVDAJDFFHOOTK-VIFPVBQESA-N 2 0 196.298 0.471 10 0 ACAERP C[C@@H](C(N)=O)N1CCCC[C@@H]1CC[NH3+] 82594386 572055872 /nfs/dbraw/zinc/05/58/72/572055872.db2.gz YPSWVANQSIRBMB-DTWKUNHWSA-N 2 0 199.298 0.064 10 0 ACAERP CCN(CC[NH3+])c1cc[nH+]cc1 82591977 572055801 /nfs/dbraw/zinc/05/58/01/572055801.db2.gz GIPSEDYQJIJCSS-UHFFFAOYSA-N 2 0 165.240 0.867 10 0 ACAERP CCn1cc[nH+]c1NCCOCC[NH3+] 82592168 572055862 /nfs/dbraw/zinc/05/58/62/572055862.db2.gz ZFLPIMGZYRUAOD-UHFFFAOYSA-N 2 0 198.270 0.290 10 0 ACAERP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCO 82594555 572055895 /nfs/dbraw/zinc/05/58/95/572055895.db2.gz ZYMKGAPBRKPILC-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP C[C@@H](CCCO)[NH2+]C[C@H]1CCC[NH2+]1 235092220 572055945 /nfs/dbraw/zinc/05/59/45/572055945.db2.gz RACBACJATMJQHO-VHSXEESVSA-N 2 0 186.299 0.489 10 0 ACAERP CN(CC[NH+](C)C)CC1([NH3+])CCCC1 82542669 572055965 /nfs/dbraw/zinc/05/59/65/572055965.db2.gz OYHKOVMXUBCLPC-UHFFFAOYSA-N 2 0 199.342 0.751 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]Cc1cncs1 235088694 572056005 /nfs/dbraw/zinc/05/60/05/572056005.db2.gz YWCLSTDHEJGGRX-ZETCQYMHSA-N 2 0 185.296 0.970 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]Cc1cc[nH]c(=O)c1 235087293 572056104 /nfs/dbraw/zinc/05/61/04/572056104.db2.gz ORWKIHVEQCJRPF-QMMMGPOBSA-N 2 0 195.266 0.202 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(=O)[nH]c1 235087344 572056144 /nfs/dbraw/zinc/05/61/44/572056144.db2.gz UPOZAFJRGGFFOB-QMMMGPOBSA-N 2 0 195.266 0.202 10 0 ACAERP CC(C)NC(=[NH2+])N(C)CC[NH+](C)C 82542559 572056145 /nfs/dbraw/zinc/05/61/45/572056145.db2.gz BJOSYYYAODHCEP-UHFFFAOYSA-N 2 0 186.303 0.413 10 0 ACAERP CCn1ccnc1N(C)C[C@H](C)[NH3+] 82592534 572056173 /nfs/dbraw/zinc/05/61/73/572056173.db2.gz ZMMMNAJPYFMHJI-QMMMGPOBSA-N 2 0 182.271 0.686 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]C[C@@H](C)n1cncn1 235086394 572056228 /nfs/dbraw/zinc/05/62/28/572056228.db2.gz PLAKWXPVPPBUQP-DTWKUNHWSA-N 2 0 197.286 0.166 10 0 ACAERP CC[NH+](CC)CCN(C)C[C@@H](C)[NH3+] 82595010 572056247 /nfs/dbraw/zinc/05/62/47/572056247.db2.gz BVURGEXECNIBRD-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C1C[C@H]([NH+]2C[C@@H]3CSC[C@H]3C2)C[NH2+]1 711643195 572056289 /nfs/dbraw/zinc/05/62/89/572056289.db2.gz ZHOXIXJCZOZOSU-BBBLOLIVSA-N 2 0 198.335 0.643 10 0 ACAERP NC(=O)CN(CC[NH3+])C1CCCCC1 82594317 572056301 /nfs/dbraw/zinc/05/63/01/572056301.db2.gz QLSLXDWYEPBKMW-UHFFFAOYSA-N 2 0 199.298 0.065 10 0 ACAERP CN(CC[C@H]1CCC[NH2+]1)CC[NH+](C)C 82542747 572056321 /nfs/dbraw/zinc/05/63/21/572056321.db2.gz UVHHRNDKSPCGCF-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP CC[C@@H](O)C[N@H+](C)CCC[NH+](C)C 82542913 572056327 /nfs/dbraw/zinc/05/63/27/572056327.db2.gz MJBIVEXRYDWOIW-SNVBAGLBSA-N 2 0 188.315 0.641 10 0 ACAERP NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] 82594492 572056343 /nfs/dbraw/zinc/05/63/43/572056343.db2.gz YDJBBZWIAMASRB-VIFPVBQESA-N 2 0 199.298 0.065 10 0 ACAERP CN(CCC[NH+](C)C)C(=[NH2+])NC1CC1 82542581 572056358 /nfs/dbraw/zinc/05/63/58/572056358.db2.gz XECDEISHLBPLQV-UHFFFAOYSA-N 2 0 198.314 0.557 10 0 ACAERP C[C@@H](O)[C@@H](C)[N@H+](C)CCC[NH+](C)C 82543216 572056413 /nfs/dbraw/zinc/05/64/13/572056413.db2.gz FIRCFNNGGHKRNN-NXEZZACHSA-N 2 0 188.315 0.639 10 0 ACAERP C[C@H](O)[C@@H](C)[N@H+](C)CCC[NH+](C)C 82543218 572056444 /nfs/dbraw/zinc/05/64/44/572056444.db2.gz FIRCFNNGGHKRNN-ZJUUUORDSA-N 2 0 188.315 0.639 10 0 ACAERP C[N@H+](CCCC(N)=[NH2+])C1CCOCC1 36321344 572056462 /nfs/dbraw/zinc/05/64/62/572056462.db2.gz JDAWAGOXRSQIDX-UHFFFAOYSA-N 2 0 199.298 0.813 10 0 ACAERP CN(CC[NH+](C)C)C[C@]1(C)CC[NH2+]C1 82542610 572056508 /nfs/dbraw/zinc/05/65/08/572056508.db2.gz JACOWRKUBKOGLV-LLVKDONJSA-N 2 0 199.342 0.479 10 0 ACAERP CN(CCC[NH+](C)C)CC(C)(C)[NH3+] 82542803 572056528 /nfs/dbraw/zinc/05/65/28/572056528.db2.gz VPXIGUZQECRBHB-UHFFFAOYSA-N 2 0 187.331 0.607 10 0 ACAERP C[N@H+](CCC(N)=[NH2+])C1CCOCC1 36321342 572056683 /nfs/dbraw/zinc/05/66/83/572056683.db2.gz REVLSKMGMWVHFA-UHFFFAOYSA-N 2 0 185.271 0.423 10 0 ACAERP CN(CC[NH+](C)C)C[C@@H]1CCC[C@@H]1[NH3+] 82543583 572056736 /nfs/dbraw/zinc/05/67/36/572056736.db2.gz ZAKNAVDRRVIILL-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP CC(C)[C@H]([NH3+])CN(C)CC[NH+](C)C 82542597 572056793 /nfs/dbraw/zinc/05/67/93/572056793.db2.gz HIAFHTKSXVRORY-SNVBAGLBSA-N 2 0 187.331 0.463 10 0 ACAERP CCNC(=[NH2+])N(C)CC[NH+](C)C 82542567 572056811 /nfs/dbraw/zinc/05/68/11/572056811.db2.gz BWJHUDHPXMFDIN-UHFFFAOYSA-N 2 0 172.276 0.024 10 0 ACAERP C[N@H+](CCC[NH3+])C1CCOCC1 36320514 572057361 /nfs/dbraw/zinc/05/73/61/572057361.db2.gz PZJQIBOVZOZZGO-UHFFFAOYSA-N 2 0 172.272 0.446 10 0 ACAERP CCNC(=[NH2+])N(C)CCC[NH+](C)C 82542589 572056829 /nfs/dbraw/zinc/05/68/29/572056829.db2.gz JUHRLUIKZDUILU-UHFFFAOYSA-N 2 0 186.303 0.414 10 0 ACAERP NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] 82594494 572056835 /nfs/dbraw/zinc/05/68/35/572056835.db2.gz YDJBBZWIAMASRB-SECBINFHSA-N 2 0 199.298 0.065 10 0 ACAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CC[C@@H](CCO)C1 229181418 572056876 /nfs/dbraw/zinc/05/68/76/572056876.db2.gz HWCBTXRWJUCKNH-IUCAKERBSA-N 2 0 199.298 0.405 10 0 ACAERP C[C@@H](CC[NH3+])[NH2+]Cc1cccc(=O)[nH]1 235087990 572056886 /nfs/dbraw/zinc/05/68/86/572056886.db2.gz LCBUGFXVSHKFKB-QMMMGPOBSA-N 2 0 195.266 0.202 10 0 ACAERP C[C@@H]([NH3+])C[N@H+](C)CCCCCO 82594624 572056889 /nfs/dbraw/zinc/05/68/89/572056889.db2.gz PMIKYZMRQNAKCX-SECBINFHSA-N 2 0 174.288 0.428 10 0 ACAERP C[NH2+]CCCC[N@H+](C)CCN(C)C 82542626 572056902 /nfs/dbraw/zinc/05/69/02/572056902.db2.gz GSEDTRPZEZKDMV-UHFFFAOYSA-N 2 0 187.331 0.479 10 0 ACAERP C[C@H](O)CC[N@H+](C)CCC[NH+](C)C 82543188 572056907 /nfs/dbraw/zinc/05/69/07/572056907.db2.gz UFXJITTUPXCGHM-JTQLQIEISA-N 2 0 188.315 0.641 10 0 ACAERP C[C@H]([NH3+])C[N@H+](C)CCCCCO 82594622 572056934 /nfs/dbraw/zinc/05/69/34/572056934.db2.gz PMIKYZMRQNAKCX-VIFPVBQESA-N 2 0 174.288 0.428 10 0 ACAERP C[C@@H](CCCO)[NH2+]C[C@@H]1CCC[NH2+]1 235091605 572056958 /nfs/dbraw/zinc/05/69/58/572056958.db2.gz RACBACJATMJQHO-UWVGGRQHSA-N 2 0 186.299 0.489 10 0 ACAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCO 82594554 572057033 /nfs/dbraw/zinc/05/70/33/572057033.db2.gz ZYMKGAPBRKPILC-JTQLQIEISA-N 2 0 186.299 0.572 10 0 ACAERP CN(CC[NH+](C)C)C[C@H]1CCC[C@@H]1[NH3+] 82543584 572057045 /nfs/dbraw/zinc/05/70/45/572057045.db2.gz ZAKNAVDRRVIILL-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP CC[NH+](CC)CCN(C)C[C@H](C)[NH3+] 82595013 572057062 /nfs/dbraw/zinc/05/70/62/572057062.db2.gz BVURGEXECNIBRD-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP CN(CC[NH+](C)C)C[C@@](C)([NH3+])C1CC1 82542638 572057069 /nfs/dbraw/zinc/05/70/69/572057069.db2.gz SRTVYTQMBSMHIZ-LLVKDONJSA-N 2 0 199.342 0.607 10 0 ACAERP CCn1ccnc1N(CC[NH3+])C1CC1 82592772 572057212 /nfs/dbraw/zinc/05/72/12/572057212.db2.gz ISUIMNIEHQDNAY-UHFFFAOYSA-N 2 0 194.282 0.831 10 0 ACAERP C[C@@H](C[NH+]1CCC(CO)CC1)C(N)=[NH2+] 36678582 572057349 /nfs/dbraw/zinc/05/73/49/572057349.db2.gz YBDSNDYKUYUYSN-QMMMGPOBSA-N 2 0 199.298 0.263 10 0 ACAERP C[C@H]([NH3+])CN(C)CCCCO 82595045 572057286 /nfs/dbraw/zinc/05/72/86/572057286.db2.gz OHIIONUBIXVTKJ-QMMMGPOBSA-N 2 0 160.261 0.038 10 0 ACAERP COCC[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596767 572057549 /nfs/dbraw/zinc/05/75/49/572057549.db2.gz GUILZVLBXGMCCG-JTQLQIEISA-N 2 0 186.299 0.836 10 0 ACAERP CC[C@@H](CN)[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597327 572057557 /nfs/dbraw/zinc/05/75/57/572057557.db2.gz ZROOHORCERYLSM-GKDVJIACSA-N 2 0 198.310 0.711 10 0 ACAERP CC[NH+](CC)CCN1CCC[C@@H]1C[NH3+] 82595372 572057622 /nfs/dbraw/zinc/05/76/22/572057622.db2.gz XYLCAZHVUIYWNY-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP [NH3+]CCCC[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597317 572057641 /nfs/dbraw/zinc/05/76/41/572057641.db2.gz IRVFECCBJVBDBX-ZACCUICWSA-N 2 0 198.310 0.713 10 0 ACAERP CN(C)CC[N@@H+]1CCC[C@H]1CCC[NH3+] 82596809 572058029 /nfs/dbraw/zinc/05/80/29/572058029.db2.gz QJDUHEHFJDMFRZ-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP C[C@@H](CN)[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597314 572058199 /nfs/dbraw/zinc/05/81/99/572058199.db2.gz XMIBEAXZDFGQCI-IZJGZUANSA-N 2 0 184.283 0.321 10 0 ACAERP CC[C@@H](CC(N)=[NH2+])[NH+]1CCN(C)CC1 36677944 572058675 /nfs/dbraw/zinc/05/86/75/572058675.db2.gz ZNHTZSHPBLCNNZ-VIFPVBQESA-N 2 0 198.314 0.338 10 0 ACAERP COCC[N@@H+]1CCC[C@H]1CCC[NH3+] 82596770 572058706 /nfs/dbraw/zinc/05/87/06/572058706.db2.gz GUILZVLBXGMCCG-SNVBAGLBSA-N 2 0 186.299 0.836 10 0 ACAERP CC[NH+](CC)CCN1CCC[C@H]1C[NH3+] 82595374 572058719 /nfs/dbraw/zinc/05/87/19/572058719.db2.gz XYLCAZHVUIYWNY-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP [NH3+]C1CN(CCC[NH+]2CCCC2)C1 82595555 572058735 /nfs/dbraw/zinc/05/87/35/572058735.db2.gz KEDNSZYRVQSDQO-UHFFFAOYSA-N 2 0 183.299 0.115 10 0 ACAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](C)CC1 36677573 572058940 /nfs/dbraw/zinc/05/89/40/572058940.db2.gz HPCAAUYUWAPGIV-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CC[C@@H]1COCC[N@@H+]1CCCC(N)=[NH2+] 36326745 572059038 /nfs/dbraw/zinc/05/90/38/572059038.db2.gz XGEWLYATIYFVRH-SECBINFHSA-N 2 0 199.298 0.813 10 0 ACAERP CC[C@H]1COCC[N@@H+]1CCCC(N)=[NH2+] 36326747 572059208 /nfs/dbraw/zinc/05/92/08/572059208.db2.gz XGEWLYATIYFVRH-VIFPVBQESA-N 2 0 199.298 0.813 10 0 ACAERP CC[C@@H](CC[NH3+])N1CC[NH+](CC)CC1 36677478 572059215 /nfs/dbraw/zinc/05/92/15/572059215.db2.gz JIUJVFLLWRPCNZ-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP C[C@H](CN)[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597316 572059273 /nfs/dbraw/zinc/05/92/73/572059273.db2.gz XMIBEAXZDFGQCI-HNJRMYHASA-N 2 0 184.283 0.321 10 0 ACAERP NC(=O)CC[N@@H+]1CCC[C@@H]1CCC[NH3+] 82596759 572059284 /nfs/dbraw/zinc/05/92/84/572059284.db2.gz XPRRFZOUWWKFAI-VIFPVBQESA-N 2 0 199.298 0.065 10 0 ACAERP NC(=O)CC[N@@H+]1CCC[C@H]1CCC[NH3+] 82596760 572059291 /nfs/dbraw/zinc/05/92/91/572059291.db2.gz XPRRFZOUWWKFAI-SECBINFHSA-N 2 0 199.298 0.065 10 0 ACAERP C[C@H]1C[C@@H]1[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82569845 572059295 /nfs/dbraw/zinc/05/92/95/572059295.db2.gz JZCHHXXLVAHWIA-XKNYDFJKSA-N 2 0 168.284 0.840 10 0 ACAERP CC[C@H](CC[NH3+])[NH+]1CCC(O)CC1 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DGYDIJCKOXEZLC-JTQLQIEISA-N 2 0 188.315 0.545 10 0 ACAERP CC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 37689207 572176448 /nfs/dbraw/zinc/17/64/48/572176448.db2.gz SDFVMLCMJWQNHR-SNVBAGLBSA-N 2 0 186.299 0.441 10 0 ACAERP C[C@H]1CCC[N@@H+]1CC[C@H](O)C[NH3+] 82928368 572176496 /nfs/dbraw/zinc/17/64/96/572176496.db2.gz CKVOKDWJSQSFBJ-IUCAKERBSA-N 2 0 172.272 0.180 10 0 ACAERP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70074531 572176695 /nfs/dbraw/zinc/17/66/95/572176695.db2.gz LYWSLKLWLYBPIX-OUAUKWLOSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@H](NCC[NH3+])[C@@H]1CCC[N@H+](C)C1 37712756 572178544 /nfs/dbraw/zinc/17/85/44/572178544.db2.gz HRPNEENNBKFTKN-VHSXEESVSA-N 2 0 185.315 0.265 10 0 ACAERP CC[NH2+]C[C@@H](C)C[N@H+](CC)CCO 70066242 572176856 /nfs/dbraw/zinc/17/68/56/572176856.db2.gz SSHISJGQICHLCU-SNVBAGLBSA-N 2 0 188.315 0.546 10 0 ACAERP C[C@H](C[NH2+]C1CC1)C[N@H+](C)CCO 70066259 572176878 /nfs/dbraw/zinc/17/68/78/572176878.db2.gz VHSHTRBVIIINQT-SECBINFHSA-N 2 0 186.299 0.299 10 0 ACAERP 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116.208 0.332 10 0 ACAERP [NH3+]CCC[NH2+]C[C@@H](O)c1ccco1 70130365 572180799 /nfs/dbraw/zinc/18/07/99/572180799.db2.gz LOTBXTJFXSHXRK-MRVPVSSYSA-N 2 0 184.239 0.251 10 0 ACAERP CC[N@H+](CCO)C[C@@H](C)C[NH2+]C 70066238 572179625 /nfs/dbraw/zinc/17/96/25/572179625.db2.gz UFOLYLRGVSWUNL-VIFPVBQESA-N 2 0 174.288 0.156 10 0 ACAERP C[C@H](NCC[NH3+])c1ccncc1 37712378 572179771 /nfs/dbraw/zinc/17/97/71/572179771.db2.gz DKIVMHWZWAWLIK-QMMMGPOBSA-N 2 0 165.240 0.691 10 0 ACAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NCC[NH3+])C1 37712761 572179787 /nfs/dbraw/zinc/17/97/87/572179787.db2.gz SMGMJFHCJIIQTJ-GHMZBOCLSA-N 2 0 199.342 0.655 10 0 ACAERP COc1cc(CNCC[NH3+])ccc1O 37712263 572179799 /nfs/dbraw/zinc/17/97/99/572179799.db2.gz LCWCHFDMNLADNX-UHFFFAOYSA-N 2 0 196.250 0.449 10 0 ACAERP CCC[N@H+](CCO)C[C@@H](C)C[NH2+]C 70066352 572179816 /nfs/dbraw/zinc/17/98/16/572179816.db2.gz SJCUSBHVDJJAET-JTQLQIEISA-N 2 0 188.315 0.546 10 0 ACAERP C[NH2+]C[C@@H](C)C[N@H+](CCO)C1CC1 70066699 572179838 /nfs/dbraw/zinc/17/98/38/572179838.db2.gz SVWULKJBWVZUNN-SECBINFHSA-N 2 0 186.299 0.299 10 0 ACAERP CO[C@@H]1CCCC[C@H]1[NH2+]CCC[NH3+] 37713848 572179875 /nfs/dbraw/zinc/17/98/75/572179875.db2.gz ACPNJJWEEOKDIH-NXEZZACHSA-N 2 0 186.299 0.882 10 0 ACAERP C[NH2+][C@H](C)[C@H]1CCCCN1CCO 70074810 572179938 /nfs/dbraw/zinc/17/99/38/572179938.db2.gz AOIGTIOMEKJAFV-NXEZZACHSA-N 2 0 186.299 0.441 10 0 ACAERP CCC[NH2+]C[C@H](C)C[N@H+](C)CCO 70066257 572179976 /nfs/dbraw/zinc/17/99/76/572179976.db2.gz MIZATIOWNFMEFW-JTQLQIEISA-N 2 0 188.315 0.546 10 0 ACAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC[NH3+] 37713670 572180061 /nfs/dbraw/zinc/18/00/61/572180061.db2.gz FKMFFKXQZNZOLX-GMTAPVOTSA-N 3 0 199.342 0.654 10 0 ACAERP COC(C)(C)C[C@H](C)[NH2+]CCN 37712722 572180099 /nfs/dbraw/zinc/18/00/99/572180099.db2.gz JZJAYUUTQLVVBB-QMMMGPOBSA-N 2 0 174.288 0.738 10 0 ACAERP [NH3+]CCC[NH2+]Cc1cccc(O)c1 37713377 572180150 /nfs/dbraw/zinc/18/01/50/572180150.db2.gz BRXGQVOXDKJIGS-UHFFFAOYSA-N 2 0 180.251 0.831 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/nfs/dbraw/zinc/18/11/66/572181166.db2.gz GOWGGJSRQRFWFT-ZJUUUORDSA-N 2 0 186.299 0.597 10 0 ACAERP [NH3+]CCC[NH2+]C[C@H](O)c1ccco1 70130367 572181286 /nfs/dbraw/zinc/18/12/86/572181286.db2.gz LOTBXTJFXSHXRK-QMMMGPOBSA-N 2 0 184.239 0.251 10 0 ACAERP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH3+] 300965918 572182955 /nfs/dbraw/zinc/18/29/55/572182955.db2.gz GTQVFEZCHZSNRM-RKDXNWHRSA-N 2 0 172.272 0.350 10 0 ACAERP C[C@@H]1COCC[C@@H]1C[NH2+]CCC[NH3+] 300964017 572181877 /nfs/dbraw/zinc/18/18/77/572181877.db2.gz GOWGGJSRQRFWFT-NXEZZACHSA-N 2 0 186.299 0.597 10 0 ACAERP [NH3+]CCCC[NH2+]Cc1csnn1 37715371 572182016 /nfs/dbraw/zinc/18/20/16/572182016.db2.gz ZIPWADVAISYUEB-UHFFFAOYSA-N 2 0 186.284 0.367 10 0 ACAERP C[C@H]([C@H]1CCCO1)[N@@H+]1CC[C@H](C[NH3+])C1 35735986 572182886 /nfs/dbraw/zinc/18/28/86/572182886.db2.gz BWWFYVLSJBSFIF-GMTAPVOTSA-N 2 0 198.310 0.835 10 0 ACAERP Cn1cc(C[NH2+]CCCC[NH3+])cn1 37715130 572182154 /nfs/dbraw/zinc/18/21/54/572182154.db2.gz RHTHRBGNBZHBQD-UHFFFAOYSA-N 2 0 182.271 0.249 10 0 ACAERP CN1CCC([NH2+]CCCC[NH3+])CC1 37714660 572182317 /nfs/dbraw/zinc/18/23/17/572182317.db2.gz NDWIODGPDXUWNQ-UHFFFAOYSA-N 2 0 185.315 0.409 10 0 ACAERP CC[NH+]1CCC([NH2+]CCCC[NH3+])CC1 37714673 572182439 /nfs/dbraw/zinc/18/24/39/572182439.db2.gz FOFJEOVCMSMZBA-UHFFFAOYSA-N 3 0 199.342 0.799 10 0 ACAERP Cc1n[nH]cc1C[NH2+]CCCC[NH3+] 37715370 572182474 /nfs/dbraw/zinc/18/24/74/572182474.db2.gz PRSQXBGPCYKPRE-UHFFFAOYSA-N 2 0 182.271 0.547 10 0 ACAERP [NH3+]CCCC[NH2+]Cc1cc[nH]n1 37715368 572182495 /nfs/dbraw/zinc/18/24/95/572182495.db2.gz ZHGZUMCGKSTXNQ-UHFFFAOYSA-N 2 0 168.244 0.238 10 0 ACAERP COCCC[N@@H+]1CCC[NH2+][C@H](C)C1 82941251 572182536 /nfs/dbraw/zinc/18/25/36/572182536.db2.gz QKOVBRMJHZQCNB-SNVBAGLBSA-N 2 0 186.299 0.707 10 0 ACAERP C[C@@H]1CN([C@@H]2CCCC[C@@H]2[NH3+])CCO1 19274662 572182662 /nfs/dbraw/zinc/18/26/62/572182662.db2.gz XAUVQRXAOBGEGS-OUAUKWLOSA-N 2 0 198.310 0.977 10 0 ACAERP C[C@H](c1ccnn1C)N(C)CCC[NH3+] 235170429 572183777 /nfs/dbraw/zinc/18/37/77/572183777.db2.gz YNOMGJSWPBLAJP-SECBINFHSA-N 2 0 196.298 0.762 10 0 ACAERP COC(C[NH2+]CCn1ccnc1)OC 70159858 572182742 /nfs/dbraw/zinc/18/27/42/572182742.db2.gz WABDOUOQFYOJTI-UHFFFAOYSA-N 2 0 199.254 0.092 10 0 ACAERP CN(C)CC[NH2+]CCc1cccnc1 37718464 572182822 /nfs/dbraw/zinc/18/28/22/572182822.db2.gz SHAXHDUFRLCDKD-UHFFFAOYSA-N 2 0 193.294 0.775 10 0 ACAERP [NH3+]CCCC[NH2+][C@H]1CCSC1 37714678 572182843 /nfs/dbraw/zinc/18/28/43/572182843.db2.gz VSBHLJULEIPEAS-QMMMGPOBSA-N 2 0 174.313 0.820 10 0 ACAERP Cc1n[nH]c(C)c1C[NH2+]CCCC[NH3+] 37715364 572183078 /nfs/dbraw/zinc/18/30/78/572183078.db2.gz PHXGAGXWLHQMRQ-UHFFFAOYSA-N 2 0 196.298 0.855 10 0 ACAERP [NH3+]CCCC[NH2+]C[C@H]1CCOC1 37715025 572183298 /nfs/dbraw/zinc/18/32/98/572183298.db2.gz KQUVBTRBRDUJAB-SECBINFHSA-N 2 0 172.272 0.351 10 0 ACAERP [NH3+]CCCC[NH2+][C@@H]1CCSC1 37714677 572183343 /nfs/dbraw/zinc/18/33/43/572183343.db2.gz VSBHLJULEIPEAS-MRVPVSSYSA-N 2 0 174.313 0.820 10 0 ACAERP [NH3+]CCCC[NH2+][C@@H]1CN2CCC1CC2 37715244 572183396 /nfs/dbraw/zinc/18/33/96/572183396.db2.gz ORNCVOOCWDSGEG-LLVKDONJSA-N 2 0 197.326 0.409 10 0 ACAERP C[C@H]([C@@H]1CCCO1)[N@@H+]1CC[C@H](C[NH3+])C1 35735984 572183453 /nfs/dbraw/zinc/18/34/53/572183453.db2.gz BWWFYVLSJBSFIF-MXWKQRLJSA-N 2 0 198.310 0.835 10 0 ACAERP [NH3+]CCCC[NH2+]C[C@@H]1CCOC1 37715024 572183588 /nfs/dbraw/zinc/18/35/88/572183588.db2.gz KQUVBTRBRDUJAB-VIFPVBQESA-N 2 0 172.272 0.351 10 0 ACAERP [NH3+]CCCC[NH2+]C1CCOCC1 37715334 572183620 /nfs/dbraw/zinc/18/36/20/572183620.db2.gz QCTCVBQUTVYBKO-UHFFFAOYSA-N 2 0 172.272 0.494 10 0 ACAERP CCOCCC1([NH3+])CC[NH+](C)CC1 687790848 572183830 /nfs/dbraw/zinc/18/38/30/572183830.db2.gz YDFLJIWKOMOIPM-UHFFFAOYSA-N 2 0 186.299 0.836 10 0 ACAERP CCO[C@@H](C[NH3+])CC[NH2+]C1(C)CC1 300964358 572183965 /nfs/dbraw/zinc/18/39/65/572183965.db2.gz IPTRWUAMQPSNII-SECBINFHSA-N 2 0 186.299 0.882 10 0 ACAERP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH3+] 300965909 572183970 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572196765 /nfs/dbraw/zinc/19/67/65/572196765.db2.gz AVJANJGEZAOLDE-SECBINFHSA-N 2 0 198.314 0.337 10 0 ACAERP CCC[N@@H+]1C[C@@H](C)CN(C)C[C@H]1CN 249945125 572196991 /nfs/dbraw/zinc/19/69/91/572196991.db2.gz HKYGNCYTZZIOPU-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+](C)CCO[C@H]1CC[C@H]([NH3+])CC1 249955086 572197011 /nfs/dbraw/zinc/19/70/11/572197011.db2.gz BNHPVLGAADHKIG-MGCOHNPYSA-N 2 0 186.299 0.835 10 0 ACAERP CC[N@H+](C)C[C@H]1C[C@@H]([NH3+])CCN1C 249917745 572197040 /nfs/dbraw/zinc/19/70/40/572197040.db2.gz KIGMJJMCEPCTSR-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP CC(C)[NH+]1CCN([C@@H](C)C(N)=[NH2+])CC1 43528548 572197116 /nfs/dbraw/zinc/19/71/16/572197116.db2.gz AVJANJGEZAOLDE-VIFPVBQESA-N 2 0 198.314 0.337 10 0 ACAERP CC[NH+](CC)C[C@@H]1[C@H]2C[NH2+]C[C@H]21 249940216 572197333 /nfs/dbraw/zinc/19/73/33/572197333.db2.gz HIVCAMIDCSSOAV-MYJAWHEDSA-N 2 0 168.284 0.794 10 0 ACAERP CCC[N@@H+]1C[C@H](C)CN(C)C[C@H]1CN 249945123 572197397 /nfs/dbraw/zinc/19/73/97/572197397.db2.gz 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/nfs/dbraw/zinc/19/92/00/572199200.db2.gz KJOZQPDRAILLFG-CHWFTXMASA-N 2 0 198.310 0.249 10 0 ACAERP CCC[N@@H+]1CC[C@@]2(C1)[C@@H]([NH3+])CCN2C 711937294 572199210 /nfs/dbraw/zinc/19/92/10/572199210.db2.gz WGXRKQRGJDLUGD-WDEREUQCSA-N 2 0 197.326 0.504 10 0 ACAERP CC[C@@H](C[NH3+])N1CCOC(C)(C)C1 36232169 572199255 /nfs/dbraw/zinc/19/92/55/572199255.db2.gz OMSKAKXMXOKODD-VIFPVBQESA-N 2 0 186.299 0.835 10 0 ACAERP CCC[N@@H+]1C[C@H](C)N(C)[C@@H](C[NH3+])C1 249957393 572199259 /nfs/dbraw/zinc/19/92/59/572199259.db2.gz JDNJHGYFMBHSFE-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP CC[C@H]1C[C@H]1[NH2+]C[C@@H](C)[NH3+] 234093472 572199374 /nfs/dbraw/zinc/19/93/74/572199374.db2.gz OTOXULWYNFFWEG-GJMOJQLCSA-N 2 0 142.246 0.722 10 0 ACAERP C[N@H+](CCO)[C@@H]1CC[C@@H](CC[NH3+])C1 249964357 572199662 /nfs/dbraw/zinc/19/96/62/572199662.db2.gz FFLKVSOPKKXPMK-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP CCC[NH+]1CCN(CCC(N)=[NH2+])CC1 19802710 572199684 /nfs/dbraw/zinc/19/96/84/572199684.db2.gz JTRPJURSVHRQPY-UHFFFAOYSA-N 2 0 198.314 0.340 10 0 ACAERP C[NH+](C)CCCN1CC[NH+](C)CC1 39115115 572199767 /nfs/dbraw/zinc/19/97/67/572199767.db2.gz GBEWIXXGYLARMX-UHFFFAOYSA-N 2 0 185.315 0.186 10 0 ACAERP CCC[N@@H+]1C[C@H](C)N(C)[C@@H](CC[NH3+])C1 249963713 572199971 /nfs/dbraw/zinc/19/99/71/572199971.db2.gz JVTOMNKGTXOUMB-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 19794286 572200105 /nfs/dbraw/zinc/20/01/05/572200105.db2.gz WOZVNZXFBQWLJN-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP CCC[N@H+]1C[C@H](CC[NH3+])N(C)[C@H](C)C1 249963712 572200325 /nfs/dbraw/zinc/20/03/25/572200325.db2.gz JVTOMNKGTXOUMB-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP CCC[N@@H+]1C[C@@H](CN)N(C)CC[C@H]1C 249966529 572200660 /nfs/dbraw/zinc/20/06/60/572200660.db2.gz KFSUTKNOIAXGOM-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@H]([NH3+])CN1CC[NH+](CC)CC1 19794284 572200724 /nfs/dbraw/zinc/20/07/24/572200724.db2.gz IWEOQYWHZDAUOB-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[N@H+](CCO)[C@H]1CC[C@@H](CC[NH3+])C1 249964354 572201404 /nfs/dbraw/zinc/20/14/04/572201404.db2.gz FFLKVSOPKKXPMK-UWVGGRQHSA-N 2 0 186.299 0.428 10 0 ACAERP CCC[N@@H+]1C[C@H](CN)N(C)CC[C@H]1C 249966534 572201471 /nfs/dbraw/zinc/20/14/71/572201471.db2.gz KFSUTKNOIAXGOM-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP COCCCC1([NH3+])CC[NH+](C)CC1 687793904 572201584 /nfs/dbraw/zinc/20/15/84/572201584.db2.gz SSIRYBOCUDGNSB-UHFFFAOYSA-N 2 0 186.299 0.836 10 0 ACAERP CCCCN1CCN2CC[NH2+]C[C@H]2C1 249905851 572201997 /nfs/dbraw/zinc/20/19/97/572201997.db2.gz YFMQSPYLUVDAPS-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP CCC[N@H+]1C[C@H](C[NH3+])N(C)[C@H](C)C1 249957398 572201750 /nfs/dbraw/zinc/20/17/50/572201750.db2.gz JDNJHGYFMBHSFE-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP CC[C@@H](C)[NH2+]CC1C(=O)[O+]=NN1C 83250906 572201753 /nfs/dbraw/zinc/20/17/53/572201753.db2.gz LJENWCHRQWILLX-ZCFIWIBFSA-O 2 0 186.235 0.093 10 0 ACAERP CCC[N@@H+]1C[C@@H](C)CN(C)[C@@H](CN)C1 249962716 572201858 /nfs/dbraw/zinc/20/18/58/572201858.db2.gz JUMUAUZMAWBJHM-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP CC[C@@H]([NH3+])CN1CC[NH+](CC)CC1 19794283 572202130 /nfs/dbraw/zinc/20/21/30/572202130.db2.gz IWEOQYWHZDAUOB-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP CC[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 19794285 572202263 /nfs/dbraw/zinc/20/22/63/572202263.db2.gz WOZVNZXFBQWLJN-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP C[N@@H+]1CC[C@H](Nc2cc(N)cc[nH+]2)C1 43569122 572202295 /nfs/dbraw/zinc/20/22/95/572202295.db2.gz GVXLIDRMPUHMOQ-VIFPVBQESA-N 2 0 192.266 0.780 10 0 ACAERP C[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 19794314 572202297 /nfs/dbraw/zinc/20/22/97/572202297.db2.gz KOGCNEQGWCNWOA-SECBINFHSA-N 2 0 185.315 0.360 10 0 ACAERP CC[C@H](C)[NH2+]CC1C(=O)[O+]=NN1C 83250907 572202453 /nfs/dbraw/zinc/20/24/53/572202453.db2.gz LJENWCHRQWILLX-LURJTMIESA-O 2 0 186.235 0.093 10 0 ACAERP CC(C)N1N=[O+]C(=O)C1C[NH2+]C1CC1 83250927 572202718 /nfs/dbraw/zinc/20/27/18/572202718.db2.gz RPOFYPJXGOJWAM-UHFFFAOYSA-O 2 0 198.246 0.501 10 0 ACAERP CCC[N@H+](C)CCC[NH3+] 19834719 572202992 /nfs/dbraw/zinc/20/29/92/572202992.db2.gz SMGLLZNMFIPPIT-UHFFFAOYSA-N 2 0 130.235 0.677 10 0 ACAERP C[N@@H+]1CC[C@@H](Nc2cc(N)cc[nH+]2)C1 43569123 572203490 /nfs/dbraw/zinc/20/34/90/572203490.db2.gz GVXLIDRMPUHMOQ-SECBINFHSA-N 2 0 192.266 0.780 10 0 ACAERP CC[C@H]1C[C@@H]1[NH2+]CC1C[NH2+]C1 234097565 572204270 /nfs/dbraw/zinc/20/42/70/572204270.db2.gz ZZWXLWRAASLXGQ-IUCAKERBSA-N 2 0 154.257 0.594 10 0 ACAERP CCC[N@H+](C)CCC(N)=[NH2+] 19834290 572204932 /nfs/dbraw/zinc/20/49/32/572204932.db2.gz KJEDYJAGLLEQKX-UHFFFAOYSA-N 2 0 143.234 0.654 10 0 ACAERP CN(CCC[NH3+])c1cc[nH+]cc1 19834404 572205094 /nfs/dbraw/zinc/20/50/94/572205094.db2.gz WNEAWUBILXHJRR-UHFFFAOYSA-N 2 0 165.240 0.867 10 0 ACAERP COCC1([NH2+]CC2([NH3+])CC2)CCC1 393474240 572205620 /nfs/dbraw/zinc/20/56/20/572205620.db2.gz HHPNUQDMERYUKT-UHFFFAOYSA-N 2 0 184.283 0.636 10 0 ACAERP C[C@@H]1CCCN(CC[NH+](C)C)[C@@H]1C[NH3+] 43617027 572206000 /nfs/dbraw/zinc/20/60/00/572206000.db2.gz ZLXQGOCYVMKRSE-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@]([NH3+])(C[NH2+]C[C@@H]1CCCO1)C1CC1 40410478 572206693 /nfs/dbraw/zinc/20/66/93/572206693.db2.gz MECZUNGQQGARCB-QWRGUYRKSA-N 2 0 198.310 0.882 10 0 ACAERP C[C@H]1CC[NH2+][C@H](C)CN1CC[NH+](C)C 219822775 572207438 /nfs/dbraw/zinc/20/74/38/572207438.db2.gz LOCRFSLFCABUAE-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP CCn1cc[nH+]c1NC[C@@H](C)C[NH3+] 83387525 572208260 /nfs/dbraw/zinc/20/82/60/572208260.db2.gz LBPOYYFJADIICG-QMMMGPOBSA-N 2 0 182.271 0.910 10 0 ACAERP CC1CC[NH+](C[C@H]2C[NH+]=C(N)O2)CC1 36420385 572208417 /nfs/dbraw/zinc/20/84/17/572208417.db2.gz OKMQYKRBMXHKCD-SECBINFHSA-N 2 0 197.282 0.432 10 0 ACAERP CC[C@](C)(C[NH3+])OCC[NH+](C)C 83400956 572209404 /nfs/dbraw/zinc/20/94/04/572209404.db2.gz LBJMEVNYBKUWDC-SECBINFHSA-N 2 0 174.288 0.692 10 0 ACAERP CC(C)[C@@H](C[NH3+])N1CCC[N@H+](C)CC1 20217695 572210159 /nfs/dbraw/zinc/21/01/59/572210159.db2.gz ZBBVBNLNJBXWGH-LLVKDONJSA-N 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C[C@H]1CCC[N@H+](C[C@@H]2C[NH+]=C(N)O2)C1 36459475 572211630 /nfs/dbraw/zinc/21/16/30/572211630.db2.gz AMBJEUQLWPGNKE-IUCAKERBSA-N 2 0 197.282 0.432 10 0 ACAERP CCC[N@@H+]1C[C@@H]2CC([NH3+])C[C@H](C1)N2C 36448548 572211761 /nfs/dbraw/zinc/21/17/61/572211761.db2.gz SKKXQRGUHCFIIS-FGWVZKOKSA-N 2 0 197.326 0.502 10 0 ACAERP CN(C)CC[NH2+]CC1CC[NH2+]CC1 41203275 572213935 /nfs/dbraw/zinc/21/39/35/572213935.db2.gz UMIRWFHJARHZHR-UHFFFAOYSA-N 2 0 185.315 0.137 10 0 ACAERP CC[C@H](C[NH3+])N1CCC[N@H+](C)CC1 20217702 572212916 /nfs/dbraw/zinc/21/29/16/572212916.db2.gz VGMCOKAFKLFZDQ-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP CC[C@H](C)[NH+]1CCN(C(N)=[NH2+])CC1 20216254 572213080 /nfs/dbraw/zinc/21/30/80/572213080.db2.gz QLEPRXJMISXSQP-QMMMGPOBSA-N 2 0 184.287 0.296 10 0 ACAERP CC[C@@H]([NH3+])[C@@H](C)N1CCC[N@H+](C)CC1 20260629 572213869 /nfs/dbraw/zinc/21/38/69/572213869.db2.gz VNQPAGYBLYDLIP-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@H]([NH3+])[C@@H](C)N1CCC[N@H+](C)CC1 20260632 572214786 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CCC[N@@H+]1CCC[C@@](C[NH3+])(NC)CC1 83422973 572218143 /nfs/dbraw/zinc/21/81/43/572218143.db2.gz SQNNAQVWECPSRJ-LLVKDONJSA-N 2 0 199.342 0.799 10 0 ACAERP CC(C)[N@@H+]1CCC[C@H](NCC[NH3+])CC1 83422203 572217004 /nfs/dbraw/zinc/21/70/04/572217004.db2.gz WMOGHWGATFSAGL-NSHDSACASA-N 2 0 199.342 0.798 10 0 ACAERP C[N@@H+]1CCC[C@@H](NCCC[NH3+])CC1 83418306 572217028 /nfs/dbraw/zinc/21/70/28/572217028.db2.gz RQFGKUZYZWDGEV-SNVBAGLBSA-N 3 0 185.315 0.409 10 0 ACAERP C[N@@H+]1CCC[C@H](NCCC[NH3+])CC1 83418302 572217047 /nfs/dbraw/zinc/21/70/47/572217047.db2.gz RQFGKUZYZWDGEV-JTQLQIEISA-N 3 0 185.315 0.409 10 0 ACAERP CCC[N@@H+]1CCC[C@@H](NCC[NH3+])CC1 83422224 572217196 /nfs/dbraw/zinc/21/71/96/572217196.db2.gz MQCBYXZSYCAZRI-LLVKDONJSA-N 2 0 199.342 0.799 10 0 ACAERP C[C@H](CO)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 687796769 572217213 /nfs/dbraw/zinc/21/72/13/572217213.db2.gz KHVWZGNROBYCSF-GARJFASQSA-N 2 0 198.310 0.108 10 0 ACAERP CC[C@H](CC(N)=[NH2+])[NH+](C)C 36678417 572217250 /nfs/dbraw/zinc/21/72/50/572217250.db2.gz DYYUMWWZJLQSDV-ZCFIWIBFSA-N 2 0 143.234 0.653 10 0 ACAERP C[NH2+]CCN(C)[C@@H]1CCC[N@H+](C)CC1 83420020 572217384 /nfs/dbraw/zinc/21/73/84/572217384.db2.gz VNGPIPPUNPXTKD-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP [NH3+]CCC[NH2+][C@@H]1CCCOCC1 83425406 572217507 /nfs/dbraw/zinc/21/75/07/572217507.db2.gz GZTSYGAYMFGTEP-SECBINFHSA-N 2 0 172.272 0.494 10 0 ACAERP [NH3+]CCCC[NH2+][C@H]1CCCOCC1 83425407 572217529 /nfs/dbraw/zinc/21/75/29/572217529.db2.gz DVQPGYMPORGGRV-JTQLQIEISA-N 2 0 186.299 0.884 10 0 ACAERP CCN[C@]1(C[NH3+])CCC[N@H+](CC)CC1 83422980 572217577 /nfs/dbraw/zinc/21/75/77/572217577.db2.gz VXAWKVJIBCIUNP-LLVKDONJSA-N 3 0 199.342 0.799 10 0 ACAERP CCC[N@@H+]1CCC[C@](C[NH3+])(NC)CC1 83422974 572217722 /nfs/dbraw/zinc/21/77/22/572217722.db2.gz SQNNAQVWECPSRJ-NSHDSACASA-N 2 0 199.342 0.799 10 0 ACAERP CC[C@H]1C[C@@H]1[NH2+]C[C@@H](C)[NH3+] 234101405 572217827 /nfs/dbraw/zinc/21/78/27/572217827.db2.gz OTOXULWYNFFWEG-CSMHCCOUSA-N 2 0 142.246 0.722 10 0 ACAERP CC[C@@H](CC(N)=[NH2+])[NH+](C)C 36678416 572217860 /nfs/dbraw/zinc/21/78/60/572217860.db2.gz DYYUMWWZJLQSDV-LURJTMIESA-N 2 0 143.234 0.653 10 0 ACAERP C[C@H](C[NH+]1CCSCC1)C(N)=[NH2+] 36678477 572217939 /nfs/dbraw/zinc/21/79/39/572217939.db2.gz KEGIQFASOGPYOP-SSDOTTSWSA-N 2 0 187.312 0.607 10 0 ACAERP [NH3+]CCCC[NH2+][C@@H]1CCCOCC1 83425408 572218381 /nfs/dbraw/zinc/21/83/81/572218381.db2.gz DVQPGYMPORGGRV-SNVBAGLBSA-N 2 0 186.299 0.884 10 0 ACAERP [NH3+]CCC[NH2+][C@H]1CCCOCC1 83425405 572218407 /nfs/dbraw/zinc/21/84/07/572218407.db2.gz GZTSYGAYMFGTEP-VIFPVBQESA-N 2 0 172.272 0.494 10 0 ACAERP CC[C@@H](CC[NH3+])[NH+](C)C 36677507 572218418 /nfs/dbraw/zinc/21/84/18/572218418.db2.gz MBEXMIIXELRLML-ZETCQYMHSA-N 2 0 130.235 0.675 10 0 ACAERP C[NH2+]CCN(C)[C@H]1CCC[N@H+](C)CC1 83420023 572218438 /nfs/dbraw/zinc/21/84/38/572218438.db2.gz VNGPIPPUNPXTKD-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC[N@@H+]1CCC[C@H](N(C)CC[NH3+])CC1 83423454 572218458 /nfs/dbraw/zinc/21/84/58/572218458.db2.gz FKNAKUJMRIDURS-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CC[N@@H+]1CCC[C@@H](NCC[NH3+])CC1 83422219 572218528 /nfs/dbraw/zinc/21/85/28/572218528.db2.gz MSBGITCHXOWPFI-SNVBAGLBSA-N 2 0 185.315 0.409 10 0 ACAERP C[C@H](CO)C[NH+]1C[C@H]2C[NH+](C)C[C@@H]2C1 687796770 572218832 /nfs/dbraw/zinc/21/88/32/572218832.db2.gz KHVWZGNROBYCSF-HBNTYKKESA-N 2 0 198.310 0.108 10 0 ACAERP CC[C@H]([NH3+])CCN1CC[NH+](C)CC1 83422364 572218669 /nfs/dbraw/zinc/21/86/69/572218669.db2.gz HLWROWPTUSMRBS-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP CC[C@H](CC[NH3+])[NH+](C)C 36677508 572218687 /nfs/dbraw/zinc/21/86/87/572218687.db2.gz MBEXMIIXELRLML-SSDOTTSWSA-N 2 0 130.235 0.675 10 0 ACAERP CCCN[C@@]1(C[NH3+])CCC[N@H+](C)CC1 83419464 572218763 /nfs/dbraw/zinc/21/87/63/572218763.db2.gz XMOGQTUKNNKZBC-NSHDSACASA-N 3 0 199.342 0.799 10 0 ACAERP CC[N@@H+]1CCC[C@H](NCCC[NH3+])CC1 83422231 572218801 /nfs/dbraw/zinc/21/88/01/572218801.db2.gz KZCACAFCLNGWOG-NSHDSACASA-N 3 0 199.342 0.799 10 0 ACAERP CC[N@@H+]1CCC[C@H](NCC[NH3+])CC1 83422207 572219033 /nfs/dbraw/zinc/21/90/33/572219033.db2.gz MSBGITCHXOWPFI-JTQLQIEISA-N 2 0 185.315 0.409 10 0 ACAERP CC(C)[N@@H+]1CCC[C@@H](NCC[NH3+])CC1 83422205 572218875 /nfs/dbraw/zinc/21/88/75/572218875.db2.gz WMOGHWGATFSAGL-LLVKDONJSA-N 2 0 199.342 0.798 10 0 ACAERP C[C@H](CO)C[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 687796768 572219094 /nfs/dbraw/zinc/21/90/94/572219094.db2.gz KHVWZGNROBYCSF-DCAQKATOSA-N 2 0 198.310 0.108 10 0 ACAERP CC[N@@H+]1CCC[C@@H](NCCC[NH3+])CC1 83422235 572219109 /nfs/dbraw/zinc/21/91/09/572219109.db2.gz KZCACAFCLNGWOG-LLVKDONJSA-N 3 0 199.342 0.799 10 0 ACAERP C[C@@H](CO)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 687796771 572219495 /nfs/dbraw/zinc/21/94/95/572219495.db2.gz KHVWZGNROBYCSF-MXWKQRLJSA-N 2 0 198.310 0.108 10 0 ACAERP CCCN[C@]1(C[NH3+])CCC[N@H+](C)CC1 83419461 572219230 /nfs/dbraw/zinc/21/92/30/572219230.db2.gz XMOGQTUKNNKZBC-LLVKDONJSA-N 3 0 199.342 0.799 10 0 ACAERP C[C@H]([NH3+])CCN1CCC[N@H+](C)CC1 20429219 572219457 /nfs/dbraw/zinc/21/94/57/572219457.db2.gz GFCUNVCCBYKNFJ-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP CC[N@@H+]1CCC[C@@H](N(C)CC[NH3+])CC1 83423455 572219490 /nfs/dbraw/zinc/21/94/90/572219490.db2.gz FKNAKUJMRIDURS-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP CC[C@@H]([NH3+])CCN1CC[NH+](C)CC1 83422367 572219568 /nfs/dbraw/zinc/21/95/68/572219568.db2.gz HLWROWPTUSMRBS-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP CC[C@H]1C[N@H+](C)CCCN1C(=[NH2+])NC 234107405 572220228 /nfs/dbraw/zinc/22/02/28/572220228.db2.gz RWUBHBKTRCETSV-VIFPVBQESA-N 2 0 198.314 0.557 10 0 ACAERP CC[N@H+](C)CC[C@@H](C)[NH2+]C 43820194 572220244 /nfs/dbraw/zinc/22/02/44/572220244.db2.gz WVGONKLNGCOTJJ-MRVPVSSYSA-N 2 0 144.262 0.936 10 0 ACAERP C[N@@H+]1CC2C[C@H]3C[NH2+]C[C@@H](C2)C31 20380879 572220282 /nfs/dbraw/zinc/22/02/82/572220282.db2.gz DHMPHFGXYVPREG-XWJSGITJSA-N 2 0 166.268 0.546 10 0 ACAERP C[NH+]1CCC(OC[C@H]2CCC[NH2+]2)CC1 20440638 572220839 /nfs/dbraw/zinc/22/08/39/572220839.db2.gz IQEGCIZEGWZGHG-SNVBAGLBSA-N 2 0 198.310 0.849 10 0 ACAERP CC[N@H+](C)CC[C@H](C)[NH2+]C 43820197 572221002 /nfs/dbraw/zinc/22/10/02/572221002.db2.gz WVGONKLNGCOTJJ-QMMMGPOBSA-N 2 0 144.262 0.936 10 0 ACAERP CC[C@](C)([NH3+])CN1CC[N@H+](C)C[C@@H]1C 234116928 572221216 /nfs/dbraw/zinc/22/12/16/572221216.db2.gz XSQJMWSYLWHMQW-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP C[N@H+](CCC[NH3+])C1CC1 36732072 572222694 /nfs/dbraw/zinc/22/26/94/572222694.db2.gz CMOHRTBZFZWVPQ-UHFFFAOYSA-N 2 0 128.219 0.429 10 0 ACAERP CC[C@H]1CN(C2(C[NH3+])CC2)CC[N@@H+]1C 234108715 572221556 /nfs/dbraw/zinc/22/15/56/572221556.db2.gz WRPSFRNWWDVPJL-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+]1CCC(OC[C@@H]2CCC[NH2+]2)CC1 20440634 572221688 /nfs/dbraw/zinc/22/16/88/572221688.db2.gz IQEGCIZEGWZGHG-JTQLQIEISA-N 2 0 198.310 0.849 10 0 ACAERP C[NH2+][C@@H](C)CCN1CCC[N@H+](C)CC1 43818255 572222502 /nfs/dbraw/zinc/22/25/02/572222502.db2.gz RKZBMECGZLGESD-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC[C@@](C)(O)C[NH2+]C1CC[NH2+]CC1 83462373 572223151 /nfs/dbraw/zinc/22/31/51/572223151.db2.gz CMHWNBPMARYFLU-SNVBAGLBSA-N 2 0 186.299 0.489 10 0 ACAERP [NH3+][C@H](C[NH+]1CCCC1)C1CC1 20441044 572223320 /nfs/dbraw/zinc/22/33/20/572223320.db2.gz OVWFVSXEFGIEJQ-SECBINFHSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+][C@@H](C[NH+]1CCCC1)C1CC1 20441040 572223413 /nfs/dbraw/zinc/22/34/13/572223413.db2.gz OVWFVSXEFGIEJQ-VIFPVBQESA-N 2 0 154.257 0.820 10 0 ACAERP CC1(C)C[C@H]([NH2+]CCC[NH3+])CCO1 70357100 572224012 /nfs/dbraw/zinc/22/40/12/572224012.db2.gz RCQMKRYNKYXKDQ-SECBINFHSA-N 2 0 186.299 0.882 10 0 ACAERP Cc1cn(C[C@H](C)[NH+](C)C)c(N)[nH+]1 235200881 572224370 /nfs/dbraw/zinc/22/43/70/572224370.db2.gz YMYROFMSNYJQCN-QMMMGPOBSA-N 2 0 182.271 0.724 10 0 ACAERP C[C@H](CC[NH3+])[N@H+](C)C[C@]12COC[C@H]1C2 689299718 572224395 /nfs/dbraw/zinc/22/43/95/572224395.db2.gz XHTTXATUGBRVPA-GMTAPVOTSA-N 2 0 198.310 0.692 10 0 ACAERP CC1(C)C[C@@H]([NH2+]CCC[NH3+])CCO1 70357101 572224598 /nfs/dbraw/zinc/22/45/98/572224598.db2.gz RCQMKRYNKYXKDQ-VIFPVBQESA-N 2 0 186.299 0.882 10 0 ACAERP CC[C@H]1C[N@H+](C)CCCN1[C@@H](C)C[NH3+] 234115165 572225487 /nfs/dbraw/zinc/22/54/87/572225487.db2.gz PMOWAYFNXXTCAV-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)C[NH3+] 36879438 572226532 /nfs/dbraw/zinc/22/65/32/572226532.db2.gz USBVRCGGBVULIX-OPRDCNLKSA-N 2 0 186.299 0.569 10 0 ACAERP C[C@H](CC[NH3+])[N@H+](C)C[C@@]12COC[C@@H]1C2 689299725 572226832 /nfs/dbraw/zinc/22/68/32/572226832.db2.gz XHTTXATUGBRVPA-VWYCJHECSA-N 2 0 198.310 0.692 10 0 ACAERP CC[NH+]1CCC2(CC1)[C@@H]([NH3+])CCN2C 711983326 572227219 /nfs/dbraw/zinc/22/72/19/572227219.db2.gz JXZBGUAKLVWVFG-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP CC[NH+]1CCC2(CC1)[C@H]([NH3+])CCN2C 711983327 572225804 /nfs/dbraw/zinc/22/58/04/572225804.db2.gz JXZBGUAKLVWVFG-SNVBAGLBSA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+](C)CCNC1=[NH+]CCCS1 20586299 572226040 /nfs/dbraw/zinc/22/60/40/572226040.db2.gz ZHBDHYJGRNOPIS-UHFFFAOYSA-N 2 0 187.312 0.631 10 0 ACAERP C[C@H]1CCC[C@@H](C)[N@@H+]1C[C@H](O)C[NH3+] 36879434 572226553 /nfs/dbraw/zinc/22/65/53/572226553.db2.gz USBVRCGGBVULIX-KXUCPTDWSA-N 2 0 186.299 0.569 10 0 ACAERP C1CC1[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 20639981 572229203 /nfs/dbraw/zinc/22/92/03/572229203.db2.gz UNEIMBQVVLTHGX-YUMQZZPRSA-N 2 0 152.241 0.300 10 0 ACAERP CC[C@@H]([NH3+])CN1CCC[N@H+](C)CC1 36872016 572227473 /nfs/dbraw/zinc/22/74/73/572227473.db2.gz ZFPNQRSTIHDNGR-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP C1CC1[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 20639979 572227577 /nfs/dbraw/zinc/22/75/77/572227577.db2.gz UNEIMBQVVLTHGX-OCAPTIKFSA-N 2 0 152.241 0.300 10 0 ACAERP [NH3+]CCC[NH2+]CCC[C@H]1CCCO1 83526611 572228288 /nfs/dbraw/zinc/22/82/88/572228288.db2.gz NWTUPYKMCCVYBV-JTQLQIEISA-N 2 0 186.299 0.884 10 0 ACAERP C1CC1[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 20639980 572229171 /nfs/dbraw/zinc/22/91/71/572229171.db2.gz UNEIMBQVVLTHGX-HTQZYQBOSA-N 2 0 152.241 0.300 10 0 ACAERP [NH3+]CCC[NH2+]CCC[C@@H]1CCCO1 83526612 572229372 /nfs/dbraw/zinc/22/93/72/572229372.db2.gz NWTUPYKMCCVYBV-SNVBAGLBSA-N 2 0 186.299 0.884 10 0 ACAERP C[NH+](C)CCNC1=[NH+]CCS1 20586300 572229620 /nfs/dbraw/zinc/22/96/20/572229620.db2.gz JPHLSEYCKHACCA-UHFFFAOYSA-N 2 0 173.285 0.240 10 0 ACAERP COCC[N@@H+]1CC[C@H]([NH3+])[C@@]1(C)C1CC1 711988078 572229693 /nfs/dbraw/zinc/22/96/93/572229693.db2.gz UYIAHLXTFOCTPR-WDEREUQCSA-N 2 0 198.310 0.835 10 0 ACAERP C[N@@H+](CCC(N)=[NH2+])CC[C@@H]1CCCO1 83527218 572230340 /nfs/dbraw/zinc/23/03/40/572230340.db2.gz KECNHDIMQLYIEC-VIFPVBQESA-N 2 0 199.298 0.813 10 0 ACAERP C[C@H](CC[NH3+])SC[C@](C)(O)C[NH3+] 393368142 572231700 /nfs/dbraw/zinc/23/17/00/572231700.db2.gz ICMQBESMGXQHSQ-HTQZYQBOSA-N 2 0 192.328 0.167 10 0 ACAERP C[N@H+](CCO)Cc1ccccc1C[NH3+] 37895167 572232276 /nfs/dbraw/zinc/23/22/76/572232276.db2.gz PFMVRERIGSHHST-UHFFFAOYSA-N 2 0 194.278 0.569 10 0 ACAERP C[C@@H](CC[NH3+])SC[C@](C)(O)C[NH3+] 393368143 572232580 /nfs/dbraw/zinc/23/25/80/572232580.db2.gz ICMQBESMGXQHSQ-JGVFFNPUSA-N 2 0 192.328 0.167 10 0 ACAERP C[N@H+](CCO)[C@H]1CCCC[C@@H]1C[NH3+] 37899225 572232618 /nfs/dbraw/zinc/23/26/18/572232618.db2.gz GHCCSZSOHRDUFP-ZJUUUORDSA-N 2 0 186.299 0.428 10 0 ACAERP C[N@H+](CCO)[C@@H]1CCCC[C@@H]1C[NH3+] 37899224 572232643 /nfs/dbraw/zinc/23/26/43/572232643.db2.gz GHCCSZSOHRDUFP-NXEZZACHSA-N 2 0 186.299 0.428 10 0 ACAERP C[N@H+](CCO)[C@@H]1CCC[C@@H]1C[NH3+] 37899222 572232978 /nfs/dbraw/zinc/23/29/78/572232978.db2.gz MFRCIFVVELHTFE-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP C[N@H+](CCO)[C@H]1CCC[C@@H]1C[NH3+] 37899223 572233615 /nfs/dbraw/zinc/23/36/15/572233615.db2.gz MFRCIFVVELHTFE-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@@H](NCC[NH3+])c1nccn1C 70535870 572234299 /nfs/dbraw/zinc/23/42/99/572234299.db2.gz XKFVFVIAFDJIIF-SSDOTTSWSA-N 2 0 168.244 0.029 10 0 ACAERP C[C@H](C[N@H+](C)C1CC1)C(N)=[NH2+] 37081237 572234354 /nfs/dbraw/zinc/23/43/54/572234354.db2.gz BQZPLFUMSHQYGZ-ZCFIWIBFSA-N 2 0 155.245 0.653 10 0 ACAERP COCCC[N@H+](C)C[C@H](C)C(N)=[NH2+] 42459812 572235937 /nfs/dbraw/zinc/23/59/37/572235937.db2.gz ZDGFKPMSHIDYSZ-QMMMGPOBSA-N 2 0 187.287 0.527 10 0 ACAERP CC[C@@H](CC(N)=[NH2+])[N@@H+]1CCC[C@H](O)C1 42468737 572236355 /nfs/dbraw/zinc/23/63/55/572236355.db2.gz RKOOWUYWXVDMHT-IUCAKERBSA-N 2 0 199.298 0.548 10 0 ACAERP C1CC([NH2+]CC2C[NH2+]C2)C1 20831734 572234607 /nfs/dbraw/zinc/23/46/07/572234607.db2.gz OUWKBKCNBDJIRD-UHFFFAOYSA-N 2 0 140.230 0.348 10 0 ACAERP CC(C)[N@@H+]1CCCN(CC[NH3+])CC1 37039724 572235914 /nfs/dbraw/zinc/23/59/14/572235914.db2.gz RWELUVSCFVZNON-UHFFFAOYSA-N 2 0 185.315 0.361 10 0 ACAERP CC[N@H+](CCC[NH3+])[C@H]1CCOC1 70531896 572235413 /nfs/dbraw/zinc/23/54/13/572235413.db2.gz SIVGEPQOUGNYGY-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP C[C@H]([NH3+])CC[N@H+](C)C1CC1 37080953 572235395 /nfs/dbraw/zinc/23/53/95/572235395.db2.gz IGNPKTNIQPYBHX-ZETCQYMHSA-N 2 0 142.246 0.818 10 0 ACAERP COCC[N@H+](C)[C@H](C)CC(N)=[NH2+] 42459402 572235509 /nfs/dbraw/zinc/23/55/09/572235509.db2.gz FAXIIBAMFHPXQE-SSDOTTSWSA-N 2 0 173.260 0.279 10 0 ACAERP C[NH2+]Cc1ccccc1CC[NH3+] 70533141 572235595 /nfs/dbraw/zinc/23/55/95/572235595.db2.gz IFLZMFQGKFTYPB-UHFFFAOYSA-N 2 0 164.252 0.907 10 0 ACAERP CCC[NH+]1CCN([C@@H](C)CC[NH3+])CC1 42319825 572235597 /nfs/dbraw/zinc/23/55/97/572235597.db2.gz ZGTSAWTUEFUDNM-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CC[N@H+](CCC[NH3+])[C@@H]1CCOC1 70531895 572235763 /nfs/dbraw/zinc/23/57/63/572235763.db2.gz SIVGEPQOUGNYGY-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP C[NH2+]Cc1ccc(CC[NH3+])cc1 70533142 572235967 /nfs/dbraw/zinc/23/59/67/572235967.db2.gz RFIIFAQEQNFJDM-UHFFFAOYSA-N 2 0 164.252 0.907 10 0 ACAERP COC[C@H](C)[N@H+](C)[C@H](CN)C(C)C 42517829 572236037 /nfs/dbraw/zinc/23/60/37/572236037.db2.gz OYYOJABORDKFMQ-VHSXEESVSA-N 2 0 188.315 0.936 10 0 ACAERP C[C@H](C[NH3+])C[N@H+](C)C1CC1 37080555 572236073 /nfs/dbraw/zinc/23/60/73/572236073.db2.gz WOGXXPZKXWFQSG-SSDOTTSWSA-N 2 0 142.246 0.675 10 0 ACAERP CC[C@H](CC(N)=[NH2+])[N@@H+]1CCC[C@H](O)C1 42468740 572236085 /nfs/dbraw/zinc/23/60/85/572236085.db2.gz RKOOWUYWXVDMHT-BDAKNGLRSA-N 2 0 199.298 0.548 10 0 ACAERP C[N@H+](CCC(N)=[NH2+])C1CC1 37081242 572236294 /nfs/dbraw/zinc/23/62/94/572236294.db2.gz JQRORXSYJCUVBU-UHFFFAOYSA-N 2 0 141.218 0.407 10 0 ACAERP CCC[NH+]1CCN([C@H](C)CC[NH3+])CC1 42319829 572236317 /nfs/dbraw/zinc/23/63/17/572236317.db2.gz ZGTSAWTUEFUDNM-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP COCC[N@H+](C)C[C@H](C)C(N)=[NH2+] 42459392 572236339 /nfs/dbraw/zinc/23/63/39/572236339.db2.gz KAFQDQKDOPBNQD-ZETCQYMHSA-N 2 0 173.260 0.137 10 0 ACAERP C[NH+](C)CCN1CC[C@@H]([NH2+]C2CC2)C1 70584724 572236722 /nfs/dbraw/zinc/23/67/22/572236722.db2.gz QZAGTUKTIRMZLX-LLVKDONJSA-N 2 0 197.326 0.374 10 0 ACAERP CC[NH+](CC)CCN1CC[C@H]([NH2+]C)C1 70584568 572236752 /nfs/dbraw/zinc/23/67/52/572236752.db2.gz KPWIHPPRDRDZFL-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC(C)[N@H+](C)CCN1CC[C@H]([NH3+])C1 70585306 572236759 /nfs/dbraw/zinc/23/67/59/572236759.db2.gz UXYMVBVDWSQXOO-JTQLQIEISA-N 2 0 185.315 0.360 10 0 ACAERP C[NH2+][C@H]1CCN(C[C@@H](C)[NH+](C)C)C1 70586034 572236782 /nfs/dbraw/zinc/23/67/82/572236782.db2.gz LOLLVIGQJPBMIM-ZJUUUORDSA-N 2 0 185.315 0.230 10 0 ACAERP CC(C)[C@@H](C[NH+](C)C)N1CC[C@H]([NH3+])C1 70586063 572236793 /nfs/dbraw/zinc/23/67/93/572236793.db2.gz LPSVVAQUEWXIOP-WDEREUQCSA-N 2 0 199.342 0.606 10 0 ACAERP C[NH2+][C@@H]1CCCN(CCC[NH+](C)C)C1 70584446 572236894 /nfs/dbraw/zinc/23/68/94/572236894.db2.gz VCMCOIBPSRWCIO-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP C[C@@H](CC[NH+](C)C)N1CCC[C@H]([NH3+])C1 70586208 572237006 /nfs/dbraw/zinc/23/70/06/572237006.db2.gz GNPQHSBLFVMRQF-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP [NH3+]CC[C@H](O)C[N@@H+]1CCC[C@H](F)C1 689409721 572236934 /nfs/dbraw/zinc/23/69/34/572236934.db2.gz VLMHOVYKYNKVOL-IUCAKERBSA-N 2 0 190.262 0.130 10 0 ACAERP [NH3+]CC[C@H](O)C[N@@H+]1CCC[C@@H](F)C1 689409719 572236944 /nfs/dbraw/zinc/23/69/44/572236944.db2.gz VLMHOVYKYNKVOL-BDAKNGLRSA-N 2 0 190.262 0.130 10 0 ACAERP C[NH2+][C@H]1CCN(CC[N@H+](C)C(C)C)C1 70585301 572236993 /nfs/dbraw/zinc/23/69/93/572236993.db2.gz JZHABXNCZPSSIM-NSHDSACASA-N 2 0 199.342 0.620 10 0 ACAERP CCC[NH2+][C@H]1CCN(CC[NH+](C)C)C1 70584730 572237511 /nfs/dbraw/zinc/23/75/11/572237511.db2.gz YOIPTEWBSVCQRY-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP C[NH2+][C@H]1CCN(CC[N@H+](C)C2CC2)C1 70585733 572237236 /nfs/dbraw/zinc/23/72/36/572237236.db2.gz MLGOBDQHPRPICG-JTQLQIEISA-N 2 0 197.326 0.374 10 0 ACAERP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH3+] 37913573 572237337 /nfs/dbraw/zinc/23/73/37/572237337.db2.gz GZPXPILPMCLLNE-DTWKUNHWSA-N 2 0 172.272 0.180 10 0 ACAERP C[NH+](C)CCN1CC[C@H]([NH2+]C2CC2)C1 70584723 572237448 /nfs/dbraw/zinc/23/74/48/572237448.db2.gz QZAGTUKTIRMZLX-NSHDSACASA-N 2 0 197.326 0.374 10 0 ACAERP CC[NH2+][C@@H]1CCN(CC[NH+](C)C)C1 70584733 572237451 /nfs/dbraw/zinc/23/74/51/572237451.db2.gz FOMZUOCMCHOWBJ-SNVBAGLBSA-N 2 0 185.315 0.232 10 0 ACAERP C[NH2+][C@H]1CCCN(CCC[NH+](C)C)C1 70584447 572237466 /nfs/dbraw/zinc/23/74/66/572237466.db2.gz VCMCOIBPSRWCIO-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC[NH2+][C@H]1CCN(CC[N@H+](C)CC)C1 70585348 572237496 /nfs/dbraw/zinc/23/74/96/572237496.db2.gz HWLKFFTXCHRQAN-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP [NH3+]CC[C@@H](O)C[N@@H+]1CCC[C@@H](F)C1 689409722 572237696 /nfs/dbraw/zinc/23/76/96/572237696.db2.gz VLMHOVYKYNKVOL-RKDXNWHRSA-N 2 0 190.262 0.130 10 0 ACAERP CC[NH+](CC)C[C@@H](C)N1CC[C@H]([NH3+])C1 70586086 572237711 /nfs/dbraw/zinc/23/77/11/572237711.db2.gz AGKUJGZDCZPKRZ-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP C[NH+](C)CC(C)(C)CN1CC[C@H]([NH3+])C1 70584791 572237776 /nfs/dbraw/zinc/23/77/76/572237776.db2.gz XXPXRIQEDGTNDB-JTQLQIEISA-N 2 0 199.342 0.607 10 0 ACAERP CC[N@H+](C)CCN1CCC[C@H]([NH2+]C)C1 70585344 572237786 /nfs/dbraw/zinc/23/77/86/572237786.db2.gz NNTABEKHTYVUAJ-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP COCC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 37904720 572237834 /nfs/dbraw/zinc/23/78/34/572237834.db2.gz VJEFDZDJZFBPEW-JTQLQIEISA-N 2 0 198.310 0.707 10 0 ACAERP C[NH+](C)CCCCN1CCC[C@H]([NH3+])C1 70585978 572237880 /nfs/dbraw/zinc/23/78/80/572237880.db2.gz JJBKVOJGZURMMW-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CC(C)[N@H+](C)CCN1CCC[C@H]([NH3+])C1 70585300 572237898 /nfs/dbraw/zinc/23/78/98/572237898.db2.gz DVHNQLCVAAPQLE-NSHDSACASA-N 2 0 199.342 0.750 10 0 ACAERP C[NH2+][C@@H]1CCN(CC[N@H+](C)C2CC2)C1 70585732 572237912 /nfs/dbraw/zinc/23/79/12/572237912.db2.gz MLGOBDQHPRPICG-SNVBAGLBSA-N 2 0 197.326 0.374 10 0 ACAERP C[NH2+][C@H]1CCCN(C[C@@H](C)[NH+](C)C)C1 70586044 572237980 /nfs/dbraw/zinc/23/79/80/572237980.db2.gz ONAKHYGFEPEEKY-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH3+] 37913572 572237981 /nfs/dbraw/zinc/23/79/81/572237981.db2.gz GZPXPILPMCLLNE-RKDXNWHRSA-N 2 0 172.272 0.180 10 0 ACAERP C[NH2+][C@H]1CCN(C[C@H](C)[NH+](C)C)C1 70586033 572237999 /nfs/dbraw/zinc/23/79/99/572237999.db2.gz LOLLVIGQJPBMIM-UWVGGRQHSA-N 2 0 185.315 0.230 10 0 ACAERP CC(C)[NH2+][C@H]1CCN(CC[NH+](C)C)C1 70584720 572238036 /nfs/dbraw/zinc/23/80/36/572238036.db2.gz BUXGCGQGHZHHGO-NSHDSACASA-N 2 0 199.342 0.620 10 0 ACAERP CC[NH2+][C@@H]1CCN(CC[N@H+](C)CC)C1 70585347 572238078 /nfs/dbraw/zinc/23/80/78/572238078.db2.gz HWLKFFTXCHRQAN-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP CC[NH2+][C@@H]1CCN(C[C@@H](C)[NH+](C)C)C1 70586049 572238117 /nfs/dbraw/zinc/23/81/17/572238117.db2.gz PPSWZYFCWQFAIX-GHMZBOCLSA-N 2 0 199.342 0.620 10 0 ACAERP C[C@H](CC[NH+](C)C)N1CCC[C@H]([NH3+])C1 70586209 572238177 /nfs/dbraw/zinc/23/81/77/572238177.db2.gz GNPQHSBLFVMRQF-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP CC[N@H+](C)CCN1CCC[C@H]([NH3+])C1 70585336 572238180 /nfs/dbraw/zinc/23/81/80/572238180.db2.gz TVVTWJOUVHMXRS-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[NH2+][C@@H]1CCN(CC[NH+]2CCCC2)C1 70585313 572238195 /nfs/dbraw/zinc/23/81/95/572238195.db2.gz RKYAARWZEACXNO-LLVKDONJSA-N 2 0 197.326 0.376 10 0 ACAERP C[NH2+][C@H]1CCCN(C[C@H](C)[NH+](C)C)C1 70586043 572238234 /nfs/dbraw/zinc/23/82/34/572238234.db2.gz ONAKHYGFEPEEKY-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP C[NH+](C)CCCCN1CCC[C@@H]([NH3+])C1 70585979 572238243 /nfs/dbraw/zinc/23/82/43/572238243.db2.gz JJBKVOJGZURMMW-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP CC[NH2+][C@H]1CCCN(CC[NH+](C)C)C1 70584718 572238266 /nfs/dbraw/zinc/23/82/66/572238266.db2.gz WCGOJLSXTBBXCY-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP CC[NH+](CC)C[C@H](C)N1CC[C@H]([NH3+])C1 70586087 572238311 /nfs/dbraw/zinc/23/83/11/572238311.db2.gz AGKUJGZDCZPKRZ-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP C1C[C@H](C[NH2+]CC2CC2)[NH2+]1 21022311 572238363 /nfs/dbraw/zinc/23/83/63/572238363.db2.gz ODLPWAKFTQNMEV-MRVPVSSYSA-N 2 0 140.230 0.348 10 0 ACAERP OCC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 37904762 572238375 /nfs/dbraw/zinc/23/83/75/572238375.db2.gz STDYHIFQIVQFLW-SECBINFHSA-N 2 0 184.283 0.053 10 0 ACAERP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH2+]C 37913574 572238383 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CWXVPSPSWPYUCU-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP C[C@@H]1OCC[C@@]12[C@H]([NH3+])CCN2C 712026752 572239952 /nfs/dbraw/zinc/23/99/52/572239952.db2.gz CQADFDYDAXPKOB-YIZRAAEISA-N 2 0 170.256 0.197 10 0 ACAERP C[C@@H]1OCC[C@]12[C@H]([NH3+])CCN2C 712026747 572240248 /nfs/dbraw/zinc/24/02/48/572240248.db2.gz CQADFDYDAXPKOB-DJLDLDEBSA-N 2 0 170.256 0.197 10 0 ACAERP C[NH2+][C@H](C)[C@H](C)N(C)[C@H](C)COC 43969158 572240373 /nfs/dbraw/zinc/24/03/73/572240373.db2.gz YUDJCTHYQPZHFA-BBBLOLIVSA-N 2 0 188.315 0.950 10 0 ACAERP C[C@@H]1OCC[C@@]12[C@@H]([NH3+])CCN2C 712026745 572240886 /nfs/dbraw/zinc/24/08/86/572240886.db2.gz CQADFDYDAXPKOB-CIUDSAMLSA-N 2 0 170.256 0.197 10 0 ACAERP C[C@@H]1OCC[C@]12[C@@H]([NH3+])CCN2C 712026749 572241584 /nfs/dbraw/zinc/24/15/84/572241584.db2.gz CQADFDYDAXPKOB-XHNCKOQMSA-N 2 0 170.256 0.197 10 0 ACAERP CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 44531503 572243346 /nfs/dbraw/zinc/24/33/46/572243346.db2.gz BZEPGCMMFUDYSV-NXEZZACHSA-N 2 0 186.299 0.428 10 0 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45599862 572244556 /nfs/dbraw/zinc/24/45/56/572244556.db2.gz CEZWVWDDJOJNLC-NXEZZACHSA-N 2 0 186.299 0.835 10 0 ACAERP C1C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C1 21377528 572244603 /nfs/dbraw/zinc/24/46/03/572244603.db2.gz XMXCYARBRSXIIK-DTWKUNHWSA-N 2 0 154.257 0.738 10 0 ACAERP C1C[NH2+][C@@H]2CCC[NH2+]C[C@H]2C1 21377593 572244649 /nfs/dbraw/zinc/24/46/49/572244649.db2.gz NAFVRMPBZJBZRF-RKDXNWHRSA-N 2 0 154.257 0.738 10 0 ACAERP C1C[NH2+]C[C@H]2CCC[NH2+][C@H]2C1 21377599 572244824 /nfs/dbraw/zinc/24/48/24/572244824.db2.gz NAFVRMPBZJBZRF-BDAKNGLRSA-N 2 0 154.257 0.738 10 0 ACAERP CCCOC1(C[NH3+])CC[NH2+]CC1 725347723 572244849 /nfs/dbraw/zinc/24/48/49/572244849.db2.gz NICWHFAMIIXQIK-UHFFFAOYSA-N 2 0 172.272 0.494 10 0 ACAERP C1C[C@H]2CC[NH2+]C[C@H]2CC[NH2+]1 21376730 572245150 /nfs/dbraw/zinc/24/51/50/572245150.db2.gz ROLWWWGCLDIOJZ-DTWKUNHWSA-N 2 0 154.257 0.596 10 0 ACAERP C1C[NH2+]C[C@H]2[NH2+]CCC[C@H]2C1 21377565 572245259 /nfs/dbraw/zinc/24/52/59/572245259.db2.gz DBOUQXLBRONJQD-RKDXNWHRSA-N 2 0 154.257 0.738 10 0 ACAERP CC[C@@H](C[NH3+])N(C)C1CC1 21369177 572245277 /nfs/dbraw/zinc/24/52/77/572245277.db2.gz ZFUCGZQPYZZVFK-ZETCQYMHSA-N 2 0 142.246 0.818 10 0 ACAERP C1C[NH2+]C[C@@H]2[NH2+]CCC[C@H]2C1 21377561 572245326 /nfs/dbraw/zinc/24/53/26/572245326.db2.gz DBOUQXLBRONJQD-BDAKNGLRSA-N 2 0 154.257 0.738 10 0 ACAERP C1CC[C@H]2C[NH2+]CC[C@@H]2[NH2+]C1 21376940 572245403 /nfs/dbraw/zinc/24/54/03/572245403.db2.gz AIXSMROQBUTCBG-IUCAKERBSA-N 2 0 154.257 0.738 10 0 ACAERP C1CC[C@@H]2C[NH2+]CC[C@@H]2[NH2+]C1 21376937 572245416 /nfs/dbraw/zinc/24/54/16/572245416.db2.gz AIXSMROQBUTCBG-BDAKNGLRSA-N 2 0 154.257 0.738 10 0 ACAERP C1C[NH2+][C@H]2CCC[NH2+]C[C@@H]2C1 21377596 572245609 /nfs/dbraw/zinc/24/56/09/572245609.db2.gz NAFVRMPBZJBZRF-IUCAKERBSA-N 2 0 154.257 0.738 10 0 ACAERP CCC[N@@H+]1CC[C@@H](C)[NH2+]C[C@H]1CO 249976670 572245652 /nfs/dbraw/zinc/24/56/52/572245652.db2.gz LONKUPQKYBCQSG-ZJUUUORDSA-N 2 0 186.299 0.441 10 0 ACAERP C[C@H](CC[NH3+])[N@H+](C)C1CC1 21399743 572245663 /nfs/dbraw/zinc/24/56/63/572245663.db2.gz OTQPFRKWMVJKHR-SSDOTTSWSA-N 2 0 142.246 0.818 10 0 ACAERP C1C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C1 21377532 572245728 /nfs/dbraw/zinc/24/57/28/572245728.db2.gz XMXCYARBRSXIIK-IUCAKERBSA-N 2 0 154.257 0.738 10 0 ACAERP C1C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C1 21377536 572245752 /nfs/dbraw/zinc/24/57/52/572245752.db2.gz XMXCYARBRSXIIK-RKDXNWHRSA-N 2 0 154.257 0.738 10 0 ACAERP C1C[NH2+][C@@H]2CCC[NH2+]C[C@@H]2C1 21377589 572245774 /nfs/dbraw/zinc/24/57/74/572245774.db2.gz NAFVRMPBZJBZRF-DTWKUNHWSA-N 2 0 154.257 0.738 10 0 ACAERP C1C[C@H]2CC[NH2+]C[C@@H]2CC[NH2+]1 21376725 572245796 /nfs/dbraw/zinc/24/57/96/572245796.db2.gz ROLWWWGCLDIOJZ-IUCAKERBSA-N 2 0 154.257 0.596 10 0 ACAERP C1CC[C@H]2C[NH2+]CC[C@H]2[NH2+]C1 21376947 572245809 /nfs/dbraw/zinc/24/58/09/572245809.db2.gz AIXSMROQBUTCBG-DTWKUNHWSA-N 2 0 154.257 0.738 10 0 ACAERP C[C@@H]([NH2+]CCC[NH3+])C1CCOCC1 235214379 572245833 /nfs/dbraw/zinc/24/58/33/572245833.db2.gz CYTKYUKHJUTEII-SECBINFHSA-N 2 0 186.299 0.740 10 0 ACAERP C[C@@H]([NH3+])CCC[N@@H+]1CCO[C@H](C)C1 45598742 572246096 /nfs/dbraw/zinc/24/60/96/572246096.db2.gz AJRWZYDIAMGGGG-NXEZZACHSA-N 2 0 186.299 0.835 10 0 ACAERP C1C[NH2+][C@H]2CC[NH2+]CC[C@H]2C1 21377540 572246195 /nfs/dbraw/zinc/24/61/95/572246195.db2.gz XMXCYARBRSXIIK-BDAKNGLRSA-N 2 0 154.257 0.738 10 0 ACAERP CC[C@H](C[NH3+])N(C)C1CC1 21369181 572246267 /nfs/dbraw/zinc/24/62/67/572246267.db2.gz ZFUCGZQPYZZVFK-SSDOTTSWSA-N 2 0 142.246 0.818 10 0 ACAERP C1CC[C@@H]2C[NH2+]CC[C@H]2[NH2+]C1 21376943 572246321 /nfs/dbraw/zinc/24/63/21/572246321.db2.gz AIXSMROQBUTCBG-RKDXNWHRSA-N 2 0 154.257 0.738 10 0 ACAERP C[C@@H]([NH2+]CCC[NH3+])c1ccnn1C 235214900 572246788 /nfs/dbraw/zinc/24/67/88/572246788.db2.gz AYAXPPXKZCWZNI-MRVPVSSYSA-N 2 0 182.271 0.420 10 0 ACAERP C[C@@H](CC[NH3+])C[NH+]1CCN(C)CC1 49806031 572252156 /nfs/dbraw/zinc/25/21/56/572252156.db2.gz SALYUTIRRREOTH-JTQLQIEISA-N 2 0 185.315 0.219 10 0 ACAERP C[C@H]([NH3+])CC[N@H+](C)C[C@]12COC[C@H]1C2 689305341 572248490 /nfs/dbraw/zinc/24/84/90/572248490.db2.gz LGIXJXGKVOHPPW-HBNTYKKESA-N 2 0 198.310 0.692 10 0 ACAERP C[C@H]([NH3+])CC[N@H+](C)C[C@@]12COC[C@@H]1C2 689305336 572248512 /nfs/dbraw/zinc/24/85/12/572248512.db2.gz LGIXJXGKVOHPPW-DCAQKATOSA-N 2 0 198.310 0.692 10 0 ACAERP NC(=[NH2+])CCCC[N@@H+]1CCC[C@H](O)C1 49579798 572249095 /nfs/dbraw/zinc/24/90/95/572249095.db2.gz ANPGZMPWEYLWRI-VIFPVBQESA-N 2 0 199.298 0.549 10 0 ACAERP C[C@@H](CC[NH+](C)C)N1CC[C@H](C[NH3+])C1 49557931 572249318 /nfs/dbraw/zinc/24/93/18/572249318.db2.gz AGXBZVSFKXYMQV-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+](C)CCCC[NH+]1CCOCC1 687714955 572249337 /nfs/dbraw/zinc/24/93/37/572249337.db2.gz AIYRIYCOGYBBDN-UHFFFAOYSA-N 2 0 186.299 0.660 10 0 ACAERP C[C@H](CC[NH3+])C[NH+]1CCOCC1 49805073 572249419 /nfs/dbraw/zinc/24/94/19/572249419.db2.gz FTHSPURSIJKYNE-SECBINFHSA-N 2 0 172.272 0.304 10 0 ACAERP C[NH2+][C@H]1CCN([C@H](C)CC[NH+](C)C)C1 49557913 572249429 /nfs/dbraw/zinc/24/94/29/572249429.db2.gz NAFXRMLIGMECID-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP C[C@@H](CC[NH3+])C[NH+]1CCOCC1 49805072 572249447 /nfs/dbraw/zinc/24/94/47/572249447.db2.gz FTHSPURSIJKYNE-VIFPVBQESA-N 2 0 172.272 0.304 10 0 ACAERP C[NH2+][C@H]1CC[N@H+](CCOC)[C@H](C)C1 49709713 572249507 /nfs/dbraw/zinc/24/95/07/572249507.db2.gz KXXYNWWLAOIIDJ-ZJUUUORDSA-N 2 0 186.299 0.705 10 0 ACAERP COCC[NH2+]CC[C@@H](C)C[NH3+] 49804736 572249493 /nfs/dbraw/zinc/24/94/93/572249493.db2.gz CQPXOHJPGWVTRP-MRVPVSSYSA-N 2 0 160.261 0.207 10 0 ACAERP COCC[NH2+]C[C@@H](C)CC[NH3+] 49804737 572249655 /nfs/dbraw/zinc/24/96/55/572249655.db2.gz KJNACTBEKAGDQB-QMMMGPOBSA-N 2 0 160.261 0.207 10 0 ACAERP COCC[NH2+]C[C@H](C)CC[NH3+] 49804738 572249688 /nfs/dbraw/zinc/24/96/88/572249688.db2.gz KJNACTBEKAGDQB-MRVPVSSYSA-N 2 0 160.261 0.207 10 0 ACAERP CSC1(C[NH2+]C2CC([NH3+])C2)CC1 235218532 572249745 /nfs/dbraw/zinc/24/97/45/572249745.db2.gz VLMZJHJPMZJVDQ-UHFFFAOYSA-N 2 0 186.324 0.961 10 0 ACAERP C[NH2+][C@@H]1CC[N@H+](CCOC)[C@H](C)C1 49709707 572249805 /nfs/dbraw/zinc/24/98/05/572249805.db2.gz KXXYNWWLAOIIDJ-NXEZZACHSA-N 2 0 186.299 0.705 10 0 ACAERP C[C@H](CC[NH+](C)C)N1CC[C@H]([NH3+])C1 49557905 572249892 /nfs/dbraw/zinc/24/98/92/572249892.db2.gz BTFVCQBPUGJYON-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H](CC[NH+](C)C)N1CC[C@H](C[NH3+])C1 49557932 572250058 /nfs/dbraw/zinc/25/00/58/572250058.db2.gz AGXBZVSFKXYMQV-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP NC(=[NH2+])CCCC[N@@H+]1CCC[C@H]1CO 49579771 572250046 /nfs/dbraw/zinc/25/00/46/572250046.db2.gz JNBRZVSWJHAMOG-VIFPVBQESA-N 2 0 199.298 0.549 10 0 ACAERP COCC[NH2+]CC[C@H](C)C[NH3+] 49804735 572250363 /nfs/dbraw/zinc/25/03/63/572250363.db2.gz CQPXOHJPGWVTRP-QMMMGPOBSA-N 2 0 160.261 0.207 10 0 ACAERP C[C@@H](CC[NH+](C)C)N1CC[C@H]([NH3+])C1 49557904 572250487 /nfs/dbraw/zinc/25/04/87/572250487.db2.gz BTFVCQBPUGJYON-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP CCN1CC[NH+](CC[C@H](C)C[NH3+])CC1 49812062 572251056 /nfs/dbraw/zinc/25/10/56/572251056.db2.gz GSNRNPJZYNBMQH-NSHDSACASA-N 2 0 199.342 0.609 10 0 ACAERP CC[NH+]1CCN(CC2(C[NH3+])CC2)CC1 49811816 572251082 /nfs/dbraw/zinc/25/10/82/572251082.db2.gz RJRNPMAGSGDHBX-UHFFFAOYSA-N 2 0 197.326 0.363 10 0 ACAERP C[C@H](C[NH3+])CC[NH+]1CCN(C)CC1 49806029 572251102 /nfs/dbraw/zinc/25/11/02/572251102.db2.gz XZQLKLBINSVXQV-JTQLQIEISA-N 2 0 185.315 0.219 10 0 ACAERP CCN1CC[NH+](CC[C@@H](C)C[NH3+])CC1 49812061 572251108 /nfs/dbraw/zinc/25/11/08/572251108.db2.gz GSNRNPJZYNBMQH-LLVKDONJSA-N 2 0 199.342 0.609 10 0 ACAERP CCN1CC[NH+](C[C@@H](C)CC[NH3+])CC1 49812063 572251579 /nfs/dbraw/zinc/25/15/79/572251579.db2.gz CUWGHXYLUUEKKH-NSHDSACASA-N 2 0 199.342 0.609 10 0 ACAERP CCN1CC[NH+](C[C@H](C)CC[NH3+])CC1 49812064 572251895 /nfs/dbraw/zinc/25/18/95/572251895.db2.gz CUWGHXYLUUEKKH-LLVKDONJSA-N 2 0 199.342 0.609 10 0 ACAERP C[C@H](CC[NH3+])C[NH+]1CCN(C)CC1 49806032 572252032 /nfs/dbraw/zinc/25/20/32/572252032.db2.gz SALYUTIRRREOTH-SNVBAGLBSA-N 2 0 185.315 0.219 10 0 ACAERP C[C@@H](C[NH3+])CC[NH+]1CCN(C)CC1 49806030 572252698 /nfs/dbraw/zinc/25/26/98/572252698.db2.gz XZQLKLBINSVXQV-SNVBAGLBSA-N 2 0 185.315 0.219 10 0 ACAERP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C)C2)C1 234966240 572327446 /nfs/dbraw/zinc/32/74/46/572327446.db2.gz OOTGOGDZVVDAKJ-HBNTYKKESA-N 2 0 198.310 0.848 10 0 ACAERP COC1CC([NH2+]C[C@@H](C)[NH3+])C1 234665078 572328318 /nfs/dbraw/zinc/32/83/18/572328318.db2.gz KMSZMYGUNQUXSO-JECWYVHBSA-N 2 0 158.245 0.101 10 0 ACAERP CC[C@H]([NH2+]C)C1C[NH2+]C1 59822600 572328522 /nfs/dbraw/zinc/32/85/22/572328522.db2.gz KKPATHLHEQSSHG-ZETCQYMHSA-N 2 0 128.219 0.204 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([NH2+]CCCCO)C1 236313696 572326262 /nfs/dbraw/zinc/32/62/62/572326262.db2.gz WVRTXFIPLDMFKL-RKDXNWHRSA-N 2 0 172.272 0.228 10 0 ACAERP [NH3+][C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(F)F)C1 236314641 572326285 /nfs/dbraw/zinc/32/62/85/572326285.db2.gz ISWUSFIXFBSMDV-DSYKOEDSSA-N 2 0 194.225 0.082 10 0 ACAERP [NH3+]C1(CC[NH2+]C[C@@H]2CCOC2)CCC1 86854049 572326616 /nfs/dbraw/zinc/32/66/16/572326616.db2.gz FGINRSQYGDIGTM-JTQLQIEISA-N 2 0 198.310 0.884 10 0 ACAERP [NH3+][C@@H]1CC[C@H]([NH2+]CCCCO)C1 236314583 572328540 /nfs/dbraw/zinc/32/85/40/572328540.db2.gz WVRTXFIPLDMFKL-BDAKNGLRSA-N 2 0 172.272 0.228 10 0 ACAERP CN(CC[NH3+])CC1(O)CCCCC1 83586306 572328610 /nfs/dbraw/zinc/32/86/10/572328610.db2.gz JMKCDTMPLVEBAA-UHFFFAOYSA-N 2 0 186.299 0.572 10 0 ACAERP COCC[NH2+]CCC1([NH3+])CCC1 86854046 572327821 /nfs/dbraw/zinc/32/78/21/572327821.db2.gz DHRAGKZVGFCBKK-UHFFFAOYSA-N 2 0 172.272 0.494 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(F)F)C1 236313744 572327859 /nfs/dbraw/zinc/32/78/59/572327859.db2.gz ISWUSFIXFBSMDV-FSDSQADBSA-N 2 0 194.225 0.082 10 0 ACAERP C[NH+](C)CCCNC1=[NH+]CCC1 88225365 572327912 /nfs/dbraw/zinc/32/79/12/572327912.db2.gz IQNZFBFGDUZVGQ-UHFFFAOYSA-N 2 0 169.272 0.720 10 0 ACAERP [NH3+]C1(CC[NH2+]C[C@H]2CCOC2)CCC1 86854050 572328007 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572356713 /nfs/dbraw/zinc/35/67/13/572356713.db2.gz PNXOJAAHKLDNJW-LYFYHCNISA-N 2 0 159.277 0.034 10 0 ACAERP CC(C)(C[NH3+])CC[N@@H+]1CC[C@@H](O)C1 83637235 572356861 /nfs/dbraw/zinc/35/68/61/572356861.db2.gz UXWUIGSLMRYINH-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@H]1CC[N@H+](Cc2cc(C[NH3+])no2)C1 52484524 572356808 /nfs/dbraw/zinc/35/68/08/572356808.db2.gz FDIWDZIXCOYEEM-MRVPVSSYSA-N 2 0 195.266 0.975 10 0 ACAERP C[C@@H]1CC[C@@H]([NH3+])C[N@H+](C)C1 76575770 572357143 /nfs/dbraw/zinc/35/71/43/572357143.db2.gz KZMWSGQDGZVFIO-HTQZYQBOSA-N 2 0 142.246 0.675 10 0 ACAERP N[C@H](c1ccccc1)[C@H]([NH3+])CCCO 238664819 572357259 /nfs/dbraw/zinc/35/72/59/572357259.db2.gz CODKSLSVXLYPID-GHMZBOCLSA-N 2 0 194.278 0.786 10 0 ACAERP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C1CC1 76590393 572357536 /nfs/dbraw/zinc/35/75/36/572357536.db2.gz IRSGZWKRYXMLDJ-IUCAKERBSA-N 2 0 154.257 0.818 10 0 ACAERP N[C@@H](c1ccccc1)[C@H]([NH3+])CCCO 238664757 572357543 /nfs/dbraw/zinc/35/75/43/572357543.db2.gz CODKSLSVXLYPID-MNOVXSKESA-N 2 0 194.278 0.786 10 0 ACAERP C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]2C1 76590291 572357573 /nfs/dbraw/zinc/35/75/73/572357573.db2.gz OSSIGSCHTXWBDP-BDAKNGLRSA-N 2 0 154.257 0.690 10 0 ACAERP COCC[N@H+](C)CCC(C)(C)C[NH3+] 83637044 572357683 /nfs/dbraw/zinc/35/76/83/572357683.db2.gz ZLGWJQDKBKTNMM-UHFFFAOYSA-N 2 0 188.315 0.940 10 0 ACAERP CN1CC[NH+](CCC(C)(C)C[NH3+])CC1 83636775 572357738 /nfs/dbraw/zinc/35/77/38/572357738.db2.gz OURJTMPKFAPVLA-UHFFFAOYSA-N 2 0 199.342 0.609 10 0 ACAERP CC(C)(C[NH3+])CC[N@@H+]1CC[C@H](O)C1 83637233 572357992 /nfs/dbraw/zinc/35/79/92/572357992.db2.gz UXWUIGSLMRYINH-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@]1([NH3+])CC[NH+]2CCC1CC2 76590258 572358001 /nfs/dbraw/zinc/35/80/01/572358001.db2.gz BQGNMDUQKAVVAT-SECBINFHSA-N 2 0 154.257 0.820 10 0 ACAERP C[N@@H+]1CCC2(CC2)[C@H](C[NH3+])C1 76590440 572358013 /nfs/dbraw/zinc/35/80/13/572358013.db2.gz KPMGWBGLMGRKMU-MRVPVSSYSA-N 2 0 154.257 0.677 10 0 ACAERP C[N@@H+]1CC[C@@H]2C[C@@H](C[NH3+])C[C@@H]21 76590351 572358750 /nfs/dbraw/zinc/35/87/50/572358750.db2.gz FSZJOOPFACBVPC-HLTSFMKQSA-N 2 0 154.257 0.675 10 0 ACAERP C[NH+](C)C[C@H](CC[NH3+])N1CCCC1 76580885 572358160 /nfs/dbraw/zinc/35/81/60/572358160.db2.gz UXGNHGSDLWXSCS-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[NH+]1C[C@@H]2CC(C[NH3+])C[C@H]2C1 76590360 572358176 /nfs/dbraw/zinc/35/81/76/572358176.db2.gz NVYVKICMMYFJRX-IUCAKERBSA-N 2 0 154.257 0.533 10 0 ACAERP [NH3+][C@@H]1CCC[N@@H+](C2CC2)CC1 76590388 572358185 /nfs/dbraw/zinc/35/81/85/572358185.db2.gz NFLXYBOCRJCAMM-MRVPVSSYSA-N 2 0 154.257 0.962 10 0 ACAERP C[NH2+][C@@H]1CC[NH+]2CCC1CC2 76590374 572358191 /nfs/dbraw/zinc/35/81/91/572358191.db2.gz RWULXWQEBMDTJP-SECBINFHSA-N 2 0 154.257 0.690 10 0 ACAERP CN(C)[C@H](CC[NH3+])C[NH+]1CCCC1 76580881 572358252 /nfs/dbraw/zinc/35/82/52/572358252.db2.gz BSAKOTCDGHHAHU-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP C[NH2+]C[C@@H](C)C[N@H+](C)CCOC 52572774 572358327 /nfs/dbraw/zinc/35/83/27/572358327.db2.gz YQZFFCNFCFUQLV-SECBINFHSA-N 2 0 174.288 0.420 10 0 ACAERP C[C@@H]1[C@@H]2CC[NH2+][C@@H]2CC[N@@H+]1C 76590304 572358340 /nfs/dbraw/zinc/35/83/40/572358340.db2.gz XHKDPXXVVCZNCE-HRDYMLBCSA-N 2 0 154.257 0.689 10 0 ACAERP C[NH+](C)C[C@@H](CC[NH3+])N1CCCC1 76580883 572358396 /nfs/dbraw/zinc/35/83/96/572358396.db2.gz UXGNHGSDLWXSCS-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP C[NH2+][C@H]1CC[NH+]2CCC1CC2 76590378 572358436 /nfs/dbraw/zinc/35/84/36/572358436.db2.gz RWULXWQEBMDTJP-VIFPVBQESA-N 2 0 154.257 0.690 10 0 ACAERP C[C@]1([NH3+])CC[NH+]2CCC1CC2 76590254 572358601 /nfs/dbraw/zinc/35/86/01/572358601.db2.gz BQGNMDUQKAVVAT-VIFPVBQESA-N 2 0 154.257 0.820 10 0 ACAERP C[C@@H]1C[C@H]2[NH2+]CC[C@H]2C[N@@H+]1C 76590295 572358625 /nfs/dbraw/zinc/35/86/25/572358625.db2.gz ZCUKEDXOPBANDU-HRDYMLBCSA-N 2 0 154.257 0.689 10 0 ACAERP C[NH+](C)C[C@H](C[NH3+])N1CCCCC1 76580877 572358726 /nfs/dbraw/zinc/35/87/26/572358726.db2.gz YOGLJVYNEQAAOO-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP CN(C)[C@@H](CC[NH3+])C[NH+]1CCCC1 76580878 572358777 /nfs/dbraw/zinc/35/87/77/572358777.db2.gz BSAKOTCDGHHAHU-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C1CC1 76590396 572358930 /nfs/dbraw/zinc/35/89/30/572358930.db2.gz IRSGZWKRYXMLDJ-BDAKNGLRSA-N 2 0 154.257 0.818 10 0 ACAERP C[NH+]1C[C@H]2CC(C[NH3+])C[C@@H]2C1 76590357 572359051 /nfs/dbraw/zinc/35/90/51/572359051.db2.gz NVYVKICMMYFJRX-RKDXNWHRSA-N 2 0 154.257 0.533 10 0 ACAERP C[N@@H+]1CCC2(CC2)[C@@H](C[NH3+])C1 76590444 572359227 /nfs/dbraw/zinc/35/92/27/572359227.db2.gz KPMGWBGLMGRKMU-QMMMGPOBSA-N 2 0 154.257 0.677 10 0 ACAERP C[C@@H]1C[C@@H]2[NH2+]CC[C@H]2C[N@@H+]1C 76590300 572359466 /nfs/dbraw/zinc/35/94/66/572359466.db2.gz ZCUKEDXOPBANDU-VGMNWLOBSA-N 2 0 154.257 0.689 10 0 ACAERP C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]2C1 76590289 572359561 /nfs/dbraw/zinc/35/95/61/572359561.db2.gz OSSIGSCHTXWBDP-RKDXNWHRSA-N 2 0 154.257 0.690 10 0 ACAERP [NH3+][C@H]1CCC[N@@H+](C2CC2)CC1 76590385 572359829 /nfs/dbraw/zinc/35/98/29/572359829.db2.gz NFLXYBOCRJCAMM-QMMMGPOBSA-N 2 0 154.257 0.962 10 0 ACAERP COCC[N@H+](C)[C@@H](C)CCC[NH3+] 52572880 572359997 /nfs/dbraw/zinc/35/99/97/572359997.db2.gz FDAJIYUFQAYNFM-VIFPVBQESA-N 2 0 174.288 0.692 10 0 ACAERP C[C@@H]1[C@H]2CC[NH2+][C@@H]2CC[N@@H+]1C 76590310 572360085 /nfs/dbraw/zinc/36/00/85/572360085.db2.gz XHKDPXXVVCZNCE-IWSPIJDZSA-N 2 0 154.257 0.689 10 0 ACAERP [NH3+]C/C=C\C[NH2+]C[C@H]1CCCO1 307998048 572360123 /nfs/dbraw/zinc/36/01/23/572360123.db2.gz DOEZIYRYOIEQPP-JKERVTFKSA-N 2 0 170.256 0.270 10 0 ACAERP C[NH+](C)C[C@@H](C[NH3+])N1CCCCC1 76580875 572360290 /nfs/dbraw/zinc/36/02/90/572360290.db2.gz YOGLJVYNEQAAOO-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP [NH3+]C/C=C/C[NH2+]C[C@@H]1CCCO1 307998049 572360438 /nfs/dbraw/zinc/36/04/38/572360438.db2.gz DOEZIYRYOIEQPP-VWCDRPFISA-N 2 0 170.256 0.270 10 0 ACAERP C[C@@H]1C[C@@]1(C[NH3+])CC[NH+](C)C 76592018 572361172 /nfs/dbraw/zinc/36/11/72/572361172.db2.gz VTYPMGHQOSZLLY-RKDXNWHRSA-N 2 0 156.273 0.923 10 0 ACAERP C[C@H]1C[C@]1(C[NH3+])CC[NH+](C)C 76592016 572361710 /nfs/dbraw/zinc/36/17/10/572361710.db2.gz VTYPMGHQOSZLLY-IUCAKERBSA-N 2 0 156.273 0.923 10 0 ACAERP [NH3+]C/C=C\C[NH2+]C[C@@H]1CCCO1 307998047 572361927 /nfs/dbraw/zinc/36/19/27/572361927.db2.gz DOEZIYRYOIEQPP-IYABHPQVSA-N 2 0 170.256 0.270 10 0 ACAERP [NH3+]C/C=C/C[NH2+]C[C@H]1CCCO1 307998046 572362307 /nfs/dbraw/zinc/36/23/07/572362307.db2.gz DOEZIYRYOIEQPP-GPYPMJJRSA-N 2 0 170.256 0.270 10 0 ACAERP CC(C)(CC[NH+]1CCOCC1)C(N)=[NH2+] 83639440 572362316 /nfs/dbraw/zinc/36/23/16/572362316.db2.gz YAIKATOBKWBWIR-UHFFFAOYSA-N 2 0 199.298 0.671 10 0 ACAERP CCCC[N@@H+]1CCC[C@](O)(C[NH3+])C1 238220836 572364594 /nfs/dbraw/zinc/36/45/94/572364594.db2.gz CNDZDHWRQABSDT-JTQLQIEISA-N 2 0 186.299 0.572 10 0 ACAERP CC(C)(CC[N@@H+]1CC[C@H](O)C1)C(N)=[NH2+] 83639686 572362471 /nfs/dbraw/zinc/36/24/71/572362471.db2.gz KPHMOQRVXJOHOE-QMMMGPOBSA-N 2 0 199.298 0.405 10 0 ACAERP C[NH2+]CCCOC1CC[NH+](C)CC1 52596690 572362712 /nfs/dbraw/zinc/36/27/12/572362712.db2.gz VRCSXDCASMMTBQ-UHFFFAOYSA-N 2 0 186.299 0.707 10 0 ACAERP C[N@H+](CCO)CCCC(C)(C)C[NH3+] 83640885 572363288 /nfs/dbraw/zinc/36/32/88/572363288.db2.gz DMVKVFUESDXIPF-UHFFFAOYSA-N 2 0 188.315 0.676 10 0 ACAERP CCCC[N@@H+]1CCC[C@@](O)(C[NH3+])C1 238220673 572363296 /nfs/dbraw/zinc/36/32/96/572363296.db2.gz CNDZDHWRQABSDT-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP C[C@H]1C[C@@]1(C[NH3+])CC[NH+](C)C 76592021 572363367 /nfs/dbraw/zinc/36/33/67/572363367.db2.gz VTYPMGHQOSZLLY-DTWKUNHWSA-N 2 0 156.273 0.923 10 0 ACAERP C[N@H+](CCO)CCC(C)(C)C(N)=[NH2+] 83639540 572363478 /nfs/dbraw/zinc/36/34/78/572363478.db2.gz KEMULNKAVXAQSO-UHFFFAOYSA-N 2 0 187.287 0.263 10 0 ACAERP C[C@H](O)C[N@H+](C)C1(C[NH3+])CCCC1 83676633 572364799 /nfs/dbraw/zinc/36/47/99/572364799.db2.gz UCIRAVZJXLNXJE-VIFPVBQESA-N 2 0 186.299 0.571 10 0 ACAERP CCC(CC)(C[NH3+])[N@H+](C)C[C@@H](C)O 83676687 572364917 /nfs/dbraw/zinc/36/49/17/572364917.db2.gz SRDDJVGCEHLIGW-SECBINFHSA-N 2 0 188.315 0.817 10 0 ACAERP CCC[N@H+](C[C@H](C)O)C(C)(C)C[NH3+] 83676664 572364938 /nfs/dbraw/zinc/36/49/38/572364938.db2.gz LSPTVKDKXASMGD-VIFPVBQESA-N 2 0 188.315 0.817 10 0 ACAERP CCC[N@H+](CCC[NH3+])C[C@H](C)O 83676366 572365243 /nfs/dbraw/zinc/36/52/43/572365243.db2.gz LHCJADWOFFPNHM-VIFPVBQESA-N 2 0 174.288 0.428 10 0 ACAERP CCC[N@H+](C[C@@H](C)O)C(C)(C)C[NH3+] 83676662 572365540 /nfs/dbraw/zinc/36/55/40/572365540.db2.gz LSPTVKDKXASMGD-SECBINFHSA-N 2 0 188.315 0.817 10 0 ACAERP CC[N@H+](CCC[NH3+])C[C@H](C)O 83676355 572365775 /nfs/dbraw/zinc/36/57/75/572365775.db2.gz YOVIJYUINMCXHC-QMMMGPOBSA-N 2 0 160.261 0.038 10 0 ACAERP CC[N@H+](C[C@H](C)O)C(C)(C)C[NH3+] 83676660 572365836 /nfs/dbraw/zinc/36/58/36/572365836.db2.gz FZWIBWNUBBQVHD-QMMMGPOBSA-N 2 0 174.288 0.426 10 0 ACAERP CC(C)C[N@H+](CCC[NH3+])C[C@@H](C)O 83676559 572365872 /nfs/dbraw/zinc/36/58/72/572365872.db2.gz JYHQQUDWQRBDFF-SNVBAGLBSA-N 2 0 188.315 0.674 10 0 ACAERP CC[N@H+](C[C@@H](C)O)C(C)(C)C[NH3+] 83676659 572366198 /nfs/dbraw/zinc/36/61/98/572366198.db2.gz FZWIBWNUBBQVHD-MRVPVSSYSA-N 2 0 174.288 0.426 10 0 ACAERP CSC1([C@@H](C[NH3+])N2CCC2)CC1 307994212 572372269 /nfs/dbraw/zinc/37/22/69/572372269.db2.gz ATGMSRPKOIQTQZ-MRVPVSSYSA-N 2 0 186.324 0.915 10 0 ACAERP CC[N@H+](CCC[NH3+])C[C@@H](C)O 83676353 572366759 /nfs/dbraw/zinc/36/67/59/572366759.db2.gz YOVIJYUINMCXHC-MRVPVSSYSA-N 2 0 160.261 0.038 10 0 ACAERP CC[N@H+](C[C@@H](C)O)[C@](C)(CC)C[NH3+] 83676681 572366887 /nfs/dbraw/zinc/36/68/87/572366887.db2.gz YKDXFPJRNHBHJE-NXEZZACHSA-N 2 0 188.315 0.817 10 0 ACAERP C[C@@H](O)C[N@H+](C)C1(C[NH3+])CCCC1 83676634 572366935 /nfs/dbraw/zinc/36/69/35/572366935.db2.gz UCIRAVZJXLNXJE-SECBINFHSA-N 2 0 186.299 0.571 10 0 ACAERP CCC[N@H+](C)CCO[C@H](C)C[NH3+] 308000305 572367364 /nfs/dbraw/zinc/36/73/64/572367364.db2.gz GTBWCZSOGNSDJK-SECBINFHSA-N 2 0 174.288 0.692 10 0 ACAERP CC(C)C[N@H+](CCC[NH3+])C[C@H](C)O 83676561 572367439 /nfs/dbraw/zinc/36/74/39/572367439.db2.gz JYHQQUDWQRBDFF-JTQLQIEISA-N 2 0 188.315 0.674 10 0 ACAERP CC[N@H+](C[C@@H](C)O)[C@@](C)(CC)C[NH3+] 83676678 572367608 /nfs/dbraw/zinc/36/76/08/572367608.db2.gz YKDXFPJRNHBHJE-ZJUUUORDSA-N 2 0 188.315 0.817 10 0 ACAERP CC[C@](C)(C[NH3+])[N@H+](C)C[C@@H](C)O 83676672 572367794 /nfs/dbraw/zinc/36/77/94/572367794.db2.gz GNGOPYRIRRGDIR-RKDXNWHRSA-N 2 0 174.288 0.426 10 0 ACAERP CC[N@H+](C[C@@H](C)O)C[C@H](C)C[NH3+] 83676550 572367864 /nfs/dbraw/zinc/36/78/64/572367864.db2.gz XALAZNBTKXUWKP-RKDXNWHRSA-N 2 0 174.288 0.284 10 0 ACAERP CC[C@@](C)(C[NH3+])[N@H+](C)C[C@@H](C)O 83676670 572367964 /nfs/dbraw/zinc/36/79/64/572367964.db2.gz GNGOPYRIRRGDIR-BDAKNGLRSA-N 2 0 174.288 0.426 10 0 ACAERP CC[N@@H+](C[C@@H](C)C[NH3+])C[C@@H](C)O 83676548 572368030 /nfs/dbraw/zinc/36/80/30/572368030.db2.gz XALAZNBTKXUWKP-DTWKUNHWSA-N 2 0 174.288 0.284 10 0 ACAERP CCC[N@H+](CCC[NH3+])C[C@@H](C)O 83676364 572368075 /nfs/dbraw/zinc/36/80/75/572368075.db2.gz LHCJADWOFFPNHM-SECBINFHSA-N 2 0 174.288 0.428 10 0 ACAERP C[N@@H+]1C[C@H]2[C@@H](C1)C21CC[NH2+]CC1 76595705 572368433 /nfs/dbraw/zinc/36/84/33/572368433.db2.gz PZAKKTBAEPFNOF-DTORHVGOSA-N 2 0 166.268 0.548 10 0 ACAERP CCC[N@H+](C)CCO[C@@H](C)C[NH3+] 308000307 572368485 /nfs/dbraw/zinc/36/84/85/572368485.db2.gz GTBWCZSOGNSDJK-VIFPVBQESA-N 2 0 174.288 0.692 10 0 ACAERP C[C@@H]([NH3+])C[NH2+][C@H](C)[C@H]1CCOC1 307995999 572375684 /nfs/dbraw/zinc/37/56/84/572375684.db2.gz BZGJRBSWLRWVTC-HLTSFMKQSA-N 2 0 172.272 0.348 10 0 ACAERP C1C[C@@H]2C[NH+]3CCC(CC3)[C@H]2[NH2+]1 76595665 572369094 /nfs/dbraw/zinc/36/90/94/572369094.db2.gz VYYQTFYOXAPLDR-NXEZZACHSA-N 2 0 166.268 0.690 10 0 ACAERP C[C@@H](O)[C@@H](C)[NH2+]CCC[NH+](C)C 87127019 572369284 /nfs/dbraw/zinc/36/92/84/572369284.db2.gz MOPFYIWSIQWSDE-RKDXNWHRSA-N 2 0 174.288 0.297 10 0 ACAERP C1C[C@H]2C[NH+]3CCC(CC3)[C@@H]2[NH2+]1 76595656 572369300 /nfs/dbraw/zinc/36/93/00/572369300.db2.gz VYYQTFYOXAPLDR-UWVGGRQHSA-N 2 0 166.268 0.690 10 0 ACAERP C[NH+]1CCC2(CC1)[C@H]1C[NH2+]C[C@H]12 76595703 572369351 /nfs/dbraw/zinc/36/93/51/572369351.db2.gz QNJVHTUCEZMCHZ-DTORHVGOSA-N 2 0 166.268 0.548 10 0 ACAERP C1C[C@H]2C[NH+]3CCC(CC3)[C@H]2[NH2+]1 76595659 572369552 /nfs/dbraw/zinc/36/95/52/572369552.db2.gz VYYQTFYOXAPLDR-VHSXEESVSA-N 2 0 166.268 0.690 10 0 ACAERP C1C[C@H]2C[N@@H+](C1)C[C@H]1CC[NH2+][C@H]21 76595671 572369730 /nfs/dbraw/zinc/36/97/30/572369730.db2.gz PYHRNGJROUNFAG-IVZWLZJFSA-N 2 0 166.268 0.690 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CCOCCC[NH3+] 52673259 572376668 /nfs/dbraw/zinc/37/66/68/572376668.db2.gz AHPXSFQSWXCKLP-SNVBAGLBSA-N 2 0 186.299 0.836 10 0 ACAERP CCO[C@@H](C[NH3+])CC[NH2+]CCF 307995178 572369880 /nfs/dbraw/zinc/36/98/80/572369880.db2.gz BCWDWPVHJXPOMP-MRVPVSSYSA-N 2 0 178.251 0.299 10 0 ACAERP C[C@H](O)[C@H](C)[NH2+]CCC[NH+](C)C 87127023 572369969 /nfs/dbraw/zinc/36/99/69/572369969.db2.gz MOPFYIWSIQWSDE-IUCAKERBSA-N 2 0 174.288 0.297 10 0 ACAERP [NH3+]C1(CNCCF)CCOCC1 307994167 572371990 /nfs/dbraw/zinc/37/19/90/572371990.db2.gz AIXWGBOQAGIAFG-UHFFFAOYSA-N 2 0 176.235 0.053 10 0 ACAERP [NH3+]C/C=C/C[NH2+]Cc1ccoc1 307995168 572370486 /nfs/dbraw/zinc/37/04/86/572370486.db2.gz BBCJHPCGTGCYSW-OWOJBTEDSA-N 2 0 166.224 0.884 10 0 ACAERP C1C[C@@H]2C[NH+]3CCC(CC3)[C@@H]2[NH2+]1 76595663 572370502 /nfs/dbraw/zinc/37/05/02/572370502.db2.gz VYYQTFYOXAPLDR-ZJUUUORDSA-N 2 0 166.268 0.690 10 0 ACAERP CCO[C@H](C[NH3+])CC[NH+]1CCC1 307994443 572370630 /nfs/dbraw/zinc/37/06/30/572370630.db2.gz AYAUDTLIWPFIDH-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP [NH3+]C/C=C\C[NH2+]Cc1ccoc1 307995169 572370794 /nfs/dbraw/zinc/37/07/94/572370794.db2.gz BBCJHPCGTGCYSW-UPHRSURJSA-N 2 0 166.224 0.884 10 0 ACAERP CC(C)[N@H+](C)CCCOCC[NH3+] 307994676 572370852 /nfs/dbraw/zinc/37/08/52/572370852.db2.gz AOPSROUMJJBXBR-UHFFFAOYSA-N 2 0 174.288 0.692 10 0 ACAERP CC[C@@H](C)N(CCO)CC(N)=[NH2+] 307994273 572371197 /nfs/dbraw/zinc/37/11/97/572371197.db2.gz AISDHMNYROSHMI-SSDOTTSWSA-N 2 0 173.260 0.015 10 0 ACAERP C[C@@H]1CC[NH2+][C@H]2CN(C)CC[C@H]12 76597067 572371616 /nfs/dbraw/zinc/37/16/16/572371616.db2.gz AHBVMFNJVBGFHD-BBBLOLIVSA-N 2 0 168.284 0.936 10 0 ACAERP CSC1([C@H](C[NH3+])N2CCC2)CC1 307994221 572371641 /nfs/dbraw/zinc/37/16/41/572371641.db2.gz ATGMSRPKOIQTQZ-QMMMGPOBSA-N 2 0 186.324 0.915 10 0 ACAERP CCO[C@@H](C[NH3+])CC[NH+]1CCC1 307994442 572371675 /nfs/dbraw/zinc/37/16/75/572371675.db2.gz AYAUDTLIWPFIDH-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP CCO[C@H](C[NH3+])CC[NH2+]CCF 307995179 572371685 /nfs/dbraw/zinc/37/16/85/572371685.db2.gz BCWDWPVHJXPOMP-QMMMGPOBSA-N 2 0 178.251 0.299 10 0 ACAERP C[C@H](O)[C@@H](C)[NH2+]CCC[NH+](C)C 87127025 572371765 /nfs/dbraw/zinc/37/17/65/572371765.db2.gz MOPFYIWSIQWSDE-BDAKNGLRSA-N 2 0 174.288 0.297 10 0 ACAERP C[C@@H]1CCN(C)[C@H]2C[NH2+]CC[C@H]12 76597063 572372263 /nfs/dbraw/zinc/37/22/63/572372263.db2.gz NYVFPJYSMGCGAF-BBBLOLIVSA-N 2 0 168.284 0.936 10 0 ACAERP CN1C[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76596944 572372567 /nfs/dbraw/zinc/37/25/67/572372567.db2.gz MXNXNWDFTZTDGX-BDAKNGLRSA-N 2 0 168.284 0.936 10 0 ACAERP CCN1C[C@@H](C)[N@H+](C)C[C@H]1CC[NH3+] 250318211 572372781 /nfs/dbraw/zinc/37/27/81/572372781.db2.gz MTFJTDSOCUUVQY-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H](C)O 87129027 572372799 /nfs/dbraw/zinc/37/27/99/572372799.db2.gz RCJFYUGAIRWNIV-OPRDCNLKSA-N 2 0 188.315 0.686 10 0 ACAERP C[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@@H](C)O 87129023 572372851 /nfs/dbraw/zinc/37/28/51/572372851.db2.gz RCJFYUGAIRWNIV-KXUCPTDWSA-N 2 0 188.315 0.686 10 0 ACAERP C[N@@H+]1CC[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 76596952 572372983 /nfs/dbraw/zinc/37/29/83/572372983.db2.gz OLFJGVGKZBVVRW-IVZWLZJFSA-N 2 0 168.284 0.923 10 0 ACAERP C[C@@H](CCCO)[NH2+]CC(C)(C)[NH3+] 308002675 572373680 /nfs/dbraw/zinc/37/36/80/572373680.db2.gz BQCZAHQDXYWDHL-QMMMGPOBSA-N 2 0 174.288 0.474 10 0 ACAERP CN1C[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 76596942 572373114 /nfs/dbraw/zinc/37/31/14/572373114.db2.gz MXNXNWDFTZTDGX-DTWKUNHWSA-N 2 0 168.284 0.936 10 0 ACAERP CCCCN1CC[C@@H]([NH3+])[C@@H](C[NH3+])C1 238221588 572373159 /nfs/dbraw/zinc/37/31/59/572373159.db2.gz OUYWTRXXKGRNOW-VHSXEESVSA-N 2 0 185.315 0.394 10 0 ACAERP CCCCN1CC[C@H]([NH3+])[C@@H](C[NH3+])C1 238221792 572373191 /nfs/dbraw/zinc/37/31/91/572373191.db2.gz OUYWTRXXKGRNOW-UWVGGRQHSA-N 2 0 185.315 0.394 10 0 ACAERP C[C@H]1C[NH2+]CC[C@@H]1C[NH2+]CCF 307995543 572373497 /nfs/dbraw/zinc/37/34/97/572373497.db2.gz BSTJAAVBCWPRES-DTWKUNHWSA-N 2 0 174.263 0.791 10 0 ACAERP C[C@H]1C[NH2+]CC[C@H]1C[NH2+]CCF 307995544 572373666 /nfs/dbraw/zinc/37/36/66/572373666.db2.gz BSTJAAVBCWPRES-IUCAKERBSA-N 2 0 174.263 0.791 10 0 ACAERP C[C@H]([NH2+]C[C@@H](C)[NH3+])[C@H]1CCOC1 307996000 572374067 /nfs/dbraw/zinc/37/40/67/572374067.db2.gz BZGJRBSWLRWVTC-VGMNWLOBSA-N 2 0 172.272 0.348 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@H]1C[NH2+]CCF 307995542 572374164 /nfs/dbraw/zinc/37/41/64/572374164.db2.gz BSTJAAVBCWPRES-BDAKNGLRSA-N 2 0 174.263 0.791 10 0 ACAERP CN1C[C@H]2[C@H](C1)[NH2+]CCC2(C)C 76596940 572374196 /nfs/dbraw/zinc/37/41/96/572374196.db2.gz MXNXNWDFTZTDGX-IUCAKERBSA-N 2 0 168.284 0.936 10 0 ACAERP CO[C@H](C[NH3+])CC[NH2+]CCCF 307995962 572374254 /nfs/dbraw/zinc/37/42/54/572374254.db2.gz BUUSMUIXBKCIOV-QMMMGPOBSA-N 2 0 178.251 0.299 10 0 ACAERP CCN1CC(C)(C)[N@H+](C)C[C@H]1C[NH3+] 250318010 572374276 /nfs/dbraw/zinc/37/42/76/572374276.db2.gz MRNXBNVMSUIADX-SECBINFHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@@H]1C[NH2+]CCF 307995545 572374294 /nfs/dbraw/zinc/37/42/94/572374294.db2.gz BSTJAAVBCWPRES-RKDXNWHRSA-N 2 0 174.263 0.791 10 0 ACAERP C[NH+](C)CCOCC[NH2+]C1CC1 52669501 572374641 /nfs/dbraw/zinc/37/46/41/572374641.db2.gz VJESLVCKVHCMCK-UHFFFAOYSA-N 2 0 172.272 0.317 10 0 ACAERP CO[C@@H](C[NH3+])CC[NH2+]CCCF 307995961 572374771 /nfs/dbraw/zinc/37/47/71/572374771.db2.gz BUUSMUIXBKCIOV-MRVPVSSYSA-N 2 0 178.251 0.299 10 0 ACAERP CN1C[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76596946 572375015 /nfs/dbraw/zinc/37/50/15/572375015.db2.gz MXNXNWDFTZTDGX-RKDXNWHRSA-N 2 0 168.284 0.936 10 0 ACAERP C[C@H](CCCO)[NH2+]CC(C)(C)[NH3+] 308002671 572375041 /nfs/dbraw/zinc/37/50/41/572375041.db2.gz BQCZAHQDXYWDHL-MRVPVSSYSA-N 2 0 174.288 0.474 10 0 ACAERP C[C@@H](C[NH3+])OCC[NH+]1CCCC1 52670226 572375075 /nfs/dbraw/zinc/37/50/75/572375075.db2.gz HYWSNKXKVMXOGR-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CCN1C[C@H](C)[N@H+](C)C[C@H]1CC[NH3+] 250318213 572375487 /nfs/dbraw/zinc/37/54/87/572375487.db2.gz MTFJTDSOCUUVQY-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP CC[NH2+]CC1(OC)CC[NH2+]CC1 307995482 572375787 /nfs/dbraw/zinc/37/57/87/572375787.db2.gz BNPCGYXVGHQOFG-UHFFFAOYSA-N 2 0 172.272 0.365 10 0 ACAERP C[C@@H]1CC(=O)[C@@H](CC[NH3+])C[N@@H+]1C 76598126 572376758 /nfs/dbraw/zinc/37/67/58/572376758.db2.gz OABCCKADWQROPO-SFYZADRCSA-N 2 0 170.256 0.245 10 0 ACAERP C[C@@H]1[C@@H](CC[NH3+])C(=O)CC[N@@H+]1C 76598133 572375843 /nfs/dbraw/zinc/37/58/43/572375843.db2.gz VALGZMLLCXXJIT-HTQZYQBOSA-N 2 0 170.256 0.245 10 0 ACAERP Cc1cc(C[NH3+])cc(C[NH3+])c1 44249417 572375897 /nfs/dbraw/zinc/37/58/97/572375897.db2.gz ICRYAHGHMFREOW-UHFFFAOYSA-N 2 0 150.225 0.912 10 0 ACAERP [NH3+]CCC[N@@H+]1CCC[C@@H]1CCO 307995560 572375978 /nfs/dbraw/zinc/37/59/78/572375978.db2.gz BTTPGTRUBLZQEY-SECBINFHSA-N 2 0 172.272 0.182 10 0 ACAERP C[C@H]1[NH2+]CCC[C@@H]1OCC[NH+](C)C 87154332 572376074 /nfs/dbraw/zinc/37/60/74/572376074.db2.gz XOXLVCVVJWWTES-ZJUUUORDSA-N 2 0 186.299 0.705 10 0 ACAERP [NH3+]CCC[N@@H+]1CCC[C@H]1CCO 307995561 572376100 /nfs/dbraw/zinc/37/61/00/572376100.db2.gz BTTPGTRUBLZQEY-VIFPVBQESA-N 2 0 172.272 0.182 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@H]1OCC[NH+](C)C 87154330 572376450 /nfs/dbraw/zinc/37/64/50/572376450.db2.gz XOXLVCVVJWWTES-VHSXEESVSA-N 2 0 186.299 0.705 10 0 ACAERP C[N@H+]1CCC(=O)[C@@H](CC[NH3+])CC1 76598118 572376476 /nfs/dbraw/zinc/37/64/76/572376476.db2.gz FWLQOFZZOCOQEQ-QMMMGPOBSA-N 2 0 170.256 0.246 10 0 ACAERP C[NH2+]CCCCOCCC[NH+](C)C 52672183 572377857 /nfs/dbraw/zinc/37/78/57/572377857.db2.gz GHCHPFSPINHHJQ-UHFFFAOYSA-N 2 0 188.315 0.954 10 0 ACAERP C[C@H]1[C@@H](CC[NH3+])C(=O)CC[N@@H+]1C 76598134 572376954 /nfs/dbraw/zinc/37/69/54/572376954.db2.gz VALGZMLLCXXJIT-JGVFFNPUSA-N 2 0 170.256 0.245 10 0 ACAERP Cc1ccc(C[NH3+])c(C[NH3+])c1 44248976 572377233 /nfs/dbraw/zinc/37/72/33/572377233.db2.gz FJDMJPPFRMLTGR-UHFFFAOYSA-N 2 0 150.225 0.912 10 0 ACAERP Cc1c(C[NH3+])cccc1C[NH3+] 44250081 572377267 /nfs/dbraw/zinc/37/72/67/572377267.db2.gz HDWCQTMAAMDNFN-UHFFFAOYSA-N 2 0 150.225 0.912 10 0 ACAERP C[C@H]1[C@H](CC[NH3+])C(=O)CC[N@@H+]1C 76598130 572377437 /nfs/dbraw/zinc/37/74/37/572377437.db2.gz VALGZMLLCXXJIT-YUMQZZPRSA-N 2 0 170.256 0.245 10 0 ACAERP C[C@@H]1[C@H](CC[NH3+])C(=O)CC[N@@H+]1C 76598129 572377460 /nfs/dbraw/zinc/37/74/60/572377460.db2.gz VALGZMLLCXXJIT-SFYZADRCSA-N 2 0 170.256 0.245 10 0 ACAERP C[C@H]1CC(=O)[C@H](CC[NH3+])C[N@@H+]1C 76598124 572377788 /nfs/dbraw/zinc/37/77/88/572377788.db2.gz OABCCKADWQROPO-JGVFFNPUSA-N 2 0 170.256 0.245 10 0 ACAERP C[N@H+]1CCC(=O)[C@H](CC[NH3+])CC1 76598120 572378428 /nfs/dbraw/zinc/37/84/28/572378428.db2.gz FWLQOFZZOCOQEQ-MRVPVSSYSA-N 2 0 170.256 0.246 10 0 ACAERP Cc1nc(C[NH3+])c(C[NH3+])nc1C 44250140 572378437 /nfs/dbraw/zinc/37/84/37/572378437.db2.gz HWTHHFWKLARZEX-UHFFFAOYSA-N 2 0 166.228 0.011 10 0 ACAERP C[C@H]1CC(=O)[C@@H](CC[NH3+])C[N@@H+]1C 76598127 572378636 /nfs/dbraw/zinc/37/86/36/572378636.db2.gz OABCCKADWQROPO-YUMQZZPRSA-N 2 0 170.256 0.245 10 0 ACAERP C[N@@H+]1CCCC(=O)[C@@H](CC[NH3+])C1 76598117 572378726 /nfs/dbraw/zinc/37/87/26/572378726.db2.gz XOIBOWIEQRUDCK-QMMMGPOBSA-N 2 0 170.256 0.246 10 0 ACAERP C[C@@H]1CC(=O)[C@H](CC[NH3+])C[N@@H+]1C 76598122 572378826 /nfs/dbraw/zinc/37/88/26/572378826.db2.gz OABCCKADWQROPO-HTQZYQBOSA-N 2 0 170.256 0.245 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@@H]1OCC[NH+](C)C 87154334 572379055 /nfs/dbraw/zinc/37/90/55/572379055.db2.gz XOXLVCVVJWWTES-UWVGGRQHSA-N 2 0 186.299 0.705 10 0 ACAERP C[N@@H+]1CCC[C@H]1CCC(=O)C[NH3+] 76598207 572379378 /nfs/dbraw/zinc/37/93/78/572379378.db2.gz PELZFQFRVJPLKK-QMMMGPOBSA-N 2 0 170.256 0.389 10 0 ACAERP C[C@@H]1C[C@H](C(=O)C[NH3+])CC[N@@H+]1C 76598198 572379518 /nfs/dbraw/zinc/37/95/18/572379518.db2.gz NRPSNXBKGALMIR-HTQZYQBOSA-N 2 0 170.256 0.245 10 0 ACAERP CCC(CC)[NH+]1CCN(CC[NH3+])CC1 87156911 572379750 /nfs/dbraw/zinc/37/97/50/572379750.db2.gz AZCIQVXBYUWZLN-UHFFFAOYSA-N 2 0 199.342 0.751 10 0 ACAERP C[C@@H]([NH2+]CCCC[NH3+])C(C)(C)O 83727047 572379802 /nfs/dbraw/zinc/37/98/02/572379802.db2.gz YPZYGJHKEIVZPH-MRVPVSSYSA-N 2 0 174.288 0.474 10 0 ACAERP C[N@@H+]1CCC[C@@H](CC(=O)C[NH3+])C1 76598215 572379933 /nfs/dbraw/zinc/37/99/33/572379933.db2.gz JMIGFWOLYOYHLN-QMMMGPOBSA-N 2 0 170.256 0.246 10 0 ACAERP CCC[C@@H]([NH3+])C(O)[C@H]([NH3+])CCC 238224187 572379974 /nfs/dbraw/zinc/37/99/74/572379974.db2.gz ZPXOBEGJKOXPKL-HTQZYQBOSA-N 2 0 174.288 0.602 10 0 ACAERP C[N@@H+]1CCC[C@@H](C(=O)C[NH3+])CC1 76598196 572380593 /nfs/dbraw/zinc/38/05/93/572380593.db2.gz OSEBGDVZCPWCHS-MRVPVSSYSA-N 2 0 170.256 0.246 10 0 ACAERP C[N@@H+]1CC[C@H](CCC(=O)C[NH3+])C1 76598208 572380680 /nfs/dbraw/zinc/38/06/80/572380680.db2.gz ZTVPIKIUPLMMPT-QMMMGPOBSA-N 2 0 170.256 0.246 10 0 ACAERP C[C@@H]([NH2+]CCC[NH+](C)C)C(C)(C)O 83725186 572381304 /nfs/dbraw/zinc/38/13/04/572381304.db2.gz SIBSNJLETMKACF-SECBINFHSA-N 2 0 188.315 0.687 10 0 ACAERP C[N@@H+]1CCC[C@H](C(=O)C[NH3+])CC1 76598195 572381352 /nfs/dbraw/zinc/38/13/52/572381352.db2.gz OSEBGDVZCPWCHS-QMMMGPOBSA-N 2 0 170.256 0.246 10 0 ACAERP C[C@@H]1C[C@@H](C(=O)C[NH3+])CC[N@@H+]1C 76598201 572381484 /nfs/dbraw/zinc/38/14/84/572381484.db2.gz NRPSNXBKGALMIR-SFYZADRCSA-N 2 0 170.256 0.245 10 0 ACAERP C[N@@H+]1CC[C@@H](CCC(=O)C[NH3+])C1 76598210 572381907 /nfs/dbraw/zinc/38/19/07/572381907.db2.gz ZTVPIKIUPLMMPT-MRVPVSSYSA-N 2 0 170.256 0.246 10 0 ACAERP CCC(CC)N1CCO[C@H](C(N)=[NH2+])C1 87157568 572381917 /nfs/dbraw/zinc/38/19/17/572381917.db2.gz XFZYRHGQZRFQKP-VIFPVBQESA-N 2 0 199.298 0.812 10 0 ACAERP C[C@H]([NH2+]CCC[NH+](C)C)C(C)(C)O 83725183 572382213 /nfs/dbraw/zinc/38/22/13/572382213.db2.gz SIBSNJLETMKACF-VIFPVBQESA-N 2 0 188.315 0.687 10 0 ACAERP C[C@H]([NH2+]CCC[NH3+])C(C)(C)O 83727039 572382416 /nfs/dbraw/zinc/38/24/16/572382416.db2.gz JTNIFVQVVZQINE-ZETCQYMHSA-N 2 0 160.261 0.084 10 0 ACAERP C[C@H]1C[C@H](C(=O)C[NH3+])CC[N@@H+]1C 76598199 572382478 /nfs/dbraw/zinc/38/24/78/572382478.db2.gz NRPSNXBKGALMIR-JGVFFNPUSA-N 2 0 170.256 0.245 10 0 ACAERP CCC(CC)[NH2+]CCN1CC[NH2+]CC1 87156837 572382482 /nfs/dbraw/zinc/38/24/82/572382482.db2.gz JOKJLAOIRMYFQG-UHFFFAOYSA-N 2 0 199.342 0.670 10 0 ACAERP C[C@@H]([NH2+]CCC[NH3+])C(C)(C)O 83727042 572382622 /nfs/dbraw/zinc/38/26/22/572382622.db2.gz JTNIFVQVVZQINE-SSDOTTSWSA-N 2 0 160.261 0.084 10 0 ACAERP C[C@H]1C[C@@H](C(=O)C[NH3+])CC[N@@H+]1C 76598203 572382882 /nfs/dbraw/zinc/38/28/82/572382882.db2.gz NRPSNXBKGALMIR-YUMQZZPRSA-N 2 0 170.256 0.245 10 0 ACAERP C[N@@H+]1CCC[C@H](CC(=O)C[NH3+])C1 76598213 572382954 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QMTYPBODXNPABS-HRDYMLBCSA-N 2 0 172.272 0.036 10 0 ACAERP C[N@@H+]1CCC[C@H](CC[NH3+])[C@H](O)C1 76599359 572387750 /nfs/dbraw/zinc/38/77/50/572387750.db2.gz PFGRCQROOPAUAA-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@H]1[C@@H](C[NH3+])[C@@H](O)C[C@@H](C)[N@H+]1C 76599341 572387846 /nfs/dbraw/zinc/38/78/46/572387846.db2.gz QHKNPUXPGAKUBB-XAVMHZPKSA-N 2 0 172.272 0.035 10 0 ACAERP C[C@H]1[C@@H](C[NH3+])[C@H](O)C[C@@H](C)[N@H+]1C 76599344 572387975 /nfs/dbraw/zinc/38/79/75/572387975.db2.gz QHKNPUXPGAKUBB-BZNPZCIMSA-N 2 0 172.272 0.035 10 0 ACAERP C[N@H+]1CC[C@H](CC[NH3+])[C@H](O)CC1 76599370 572388097 /nfs/dbraw/zinc/38/80/97/572388097.db2.gz VEFHEAXOGOHYED-DTWKUNHWSA-N 2 0 172.272 0.038 10 0 ACAERP C[N@@H+]1CCC[C@@H](O)[C@@H]1CCC[NH3+] 76599406 572388325 /nfs/dbraw/zinc/38/83/25/572388325.db2.gz ORXDWMYERYLNEI-DTWKUNHWSA-N 2 0 172.272 0.180 10 0 ACAERP CCCCNC(=[NH2+])SC(N)=[NH2+] 238225132 572388358 /nfs/dbraw/zinc/38/83/58/572388358.db2.gz AAODBFATNGKNGS-UHFFFAOYSA-N 2 0 174.273 0.938 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CO[C@H]1CC[C@@H]([NH2+]C2CC([NH3+])C2)C1 235029728 572412594 /nfs/dbraw/zinc/41/25/94/572412594.db2.gz TYFOZTPGBHYLFN-RGWUEKKESA-N 2 0 184.283 0.633 10 0 ACAERP CC1(C)CC[N@H+](CC[C@H](O)C[NH3+])C1 87259975 572412604 /nfs/dbraw/zinc/41/26/04/572412604.db2.gz GCOXRJZMCRUDOW-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP CC[C@H]([NH3+])Cc1c[nH+]ccc1N 44402736 572412651 /nfs/dbraw/zinc/41/26/51/572412651.db2.gz NUUAYHZRJRIPAN-QMMMGPOBSA-N 2 0 165.240 0.944 10 0 ACAERP C[NH+](C)CC(C)(C)CC[NH3+] 44398039 572412763 /nfs/dbraw/zinc/41/27/63/572412763.db2.gz IRLLIJUGYFWTPR-UHFFFAOYSA-N 2 0 144.262 0.923 10 0 ACAERP CC1(C)CC[N@H+](CC[C@@H]([NH3+])CO)C1 87259852 572412978 /nfs/dbraw/zinc/41/29/78/572412978.db2.gz SHLYXBXJDJLABT-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP CC1(C)CC[N@H+](CC[C@@H](O)C[NH3+])C1 87259977 572413647 /nfs/dbraw/zinc/41/36/47/572413647.db2.gz GCOXRJZMCRUDOW-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP C[NH+](C)C[C@H]1CCN([C@H]2CC[NH2+]C2)C1 250339718 572414336 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572444522 /nfs/dbraw/zinc/44/45/22/572444522.db2.gz ROWPTNZKIRYADP-UHFFFAOYSA-N 2 0 199.298 0.407 10 0 ACAERP CC[NH2+]C[C@H](C)C[NH2+]C 61268545 572444537 /nfs/dbraw/zinc/44/45/37/572444537.db2.gz NEJMFHQKVCUTPQ-SSDOTTSWSA-N 2 0 130.235 0.451 10 0 ACAERP CC[NH2+][C@@H](C)CC[NH2+]C 61275133 572444674 /nfs/dbraw/zinc/44/46/74/572444674.db2.gz RHCPVXMOFXMBFO-ZETCQYMHSA-N 2 0 130.235 0.594 10 0 ACAERP CN1CC[NH+]([C@@H]2CC[C@H](C[NH3+])C2)CC1 74238776 572444680 /nfs/dbraw/zinc/44/46/80/572444680.db2.gz OHARNAKJYLPCDW-WDEREUQCSA-N 2 0 197.326 0.361 10 0 ACAERP CC[N@H+]1C[C@H](C)[NH2+]C[C@@H](C)C1 250344092 572444792 /nfs/dbraw/zinc/44/47/92/572444792.db2.gz QDXQKFFRSWZMMC-BDAKNGLRSA-N 2 0 156.273 0.936 10 0 ACAERP CC[C@@H]([NH3+])[C@@]1(N(C)C)CCC[N@H+](C)C1 74214372 572444863 /nfs/dbraw/zinc/44/48/63/572444863.db2.gz XKDYCVRASHDGOB-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP [NH3+]C[C@H](O)C[C@@H]1CC[NH+]2CCC1CC2 76637652 572444889 /nfs/dbraw/zinc/44/48/89/572444889.db2.gz NEUXZGUGUQMTQF-WDEREUQCSA-N 2 0 198.310 0.428 10 0 ACAERP CCN1[C@@H](C)CC[N@H+](C)C[C@H]1CC[NH3+] 250346289 572445013 /nfs/dbraw/zinc/44/50/13/572445013.db2.gz QNEJGVIXJNJKKX-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP CCC[C@@H]([NH3+])[C@H](C)N1CC[NH+](C)CC1 74214353 572445033 /nfs/dbraw/zinc/44/50/33/572445033.db2.gz PVLBRQBRLFCLLR-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP CC[NH2+]CC(C)C[NH2+]CC 61268548 572445043 /nfs/dbraw/zinc/44/50/43/572445043.db2.gz WQDLZOOMLSVPHQ-UHFFFAOYSA-N 2 0 144.262 0.842 10 0 ACAERP C[C@H](CN(C)C)[NH2+]CCc1ncon1 713924226 572445057 /nfs/dbraw/zinc/44/50/57/572445057.db2.gz JRRMIYSVBVCJDK-MRVPVSSYSA-N 2 0 198.270 0.152 10 0 ACAERP CC[C@@H]([NH3+])C1(N(C)C)CC[NH+](C)CC1 74214364 572445078 /nfs/dbraw/zinc/44/50/78/572445078.db2.gz FWJQPTZJUJWSNB-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP CN1CC[NH+]([C@H]2CC[C@H](C[NH3+])C2)CC1 74238778 572445090 /nfs/dbraw/zinc/44/50/90/572445090.db2.gz OHARNAKJYLPCDW-QWRGUYRKSA-N 2 0 197.326 0.361 10 0 ACAERP C[C@@H](O)C[N@H+](C)CC1(CC(N)=[NH2+])CC1 83856138 572445103 /nfs/dbraw/zinc/44/51/03/572445103.db2.gz IRHWURHWYSXDIH-MRVPVSSYSA-N 2 0 199.298 0.405 10 0 ACAERP CCN(CC)[C@H](C[NH3+])[C@H]1CC[N@H+](C)C1 74214397 572445191 /nfs/dbraw/zinc/44/51/91/572445191.db2.gz MNOVCFNNKWCLGP-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@H](C[NH+](C)C)N1C[C@@H]2CC[C@H](C1)[NH2+]2 713924922 572445163 /nfs/dbraw/zinc/44/51/63/572445163.db2.gz IMQMMEPKUCXMSU-MXWKQRLJSA-N 2 0 197.326 0.373 10 0 ACAERP C[N@@H+]1CC[C@H](CC[C@@H]([NH3+])CO)C1 250551738 572445214 /nfs/dbraw/zinc/44/52/14/572445214.db2.gz AJOUPAGBMUPERT-DTWKUNHWSA-N 2 0 172.272 0.038 10 0 ACAERP CN1CC[C@H](CCC[NH3+])[C@H]([NH+](C)C)C1 74214381 572445244 /nfs/dbraw/zinc/44/52/44/572445244.db2.gz CUVCCOZRCFQGBE-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+](C)CCc1nc2c([nH]1)C[NH2+]CC2 76636182 572445439 /nfs/dbraw/zinc/44/54/39/572445439.db2.gz LCLYJDJBJIAIFT-UHFFFAOYSA-N 2 0 194.282 0.160 10 0 ACAERP C[NH2+]C(C)(C)C[NH2+]C(C)C 61319636 572446437 /nfs/dbraw/zinc/44/64/37/572446437.db2.gz KZKSCPSHVYFCSH-UHFFFAOYSA-N 2 0 144.262 0.982 10 0 ACAERP CN(C)[C@@H]1CCC[N@H+](C)[C@H]1CCC[NH3+] 74214380 572445488 /nfs/dbraw/zinc/44/54/88/572445488.db2.gz DNIUXWRMHSOBQP-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP CCN(CC)[C@@H](C[NH3+])[C@@H]1CC[N@H+](C)C1 74214388 572445585 /nfs/dbraw/zinc/44/55/85/572445585.db2.gz MNOVCFNNKWCLGP-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP CN1CC[NH+]([C@H]2CC[C@@H](C[NH3+])C2)CC1 74238782 572445634 /nfs/dbraw/zinc/44/56/34/572445634.db2.gz OHARNAKJYLPCDW-MNOVXSKESA-N 2 0 197.326 0.361 10 0 ACAERP C[NH+](C)CC[C@H](C[NH3+])N1C[C@H]2C[C@H]2C1 74238747 572445658 /nfs/dbraw/zinc/44/56/58/572445658.db2.gz NUPIVCYKGSONHI-OUAUKWLOSA-N 2 0 197.326 0.217 10 0 ACAERP C[NH+]1CCN([C@H](C[NH3+])CC2CC2)CC1 74238771 572445703 /nfs/dbraw/zinc/44/57/03/572445703.db2.gz MYNNLUIPGAXSSN-NSHDSACASA-N 2 0 197.326 0.361 10 0 ACAERP CC[C@H]([NH3+])[C@@]1(N(C)C)CCC[N@H+](C)C1 74214371 572445734 /nfs/dbraw/zinc/44/57/34/572445734.db2.gz XKDYCVRASHDGOB-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP C[NH+](C)CCC[C@H](CN)[NH+]1CCCC1 74214358 572445787 /nfs/dbraw/zinc/44/57/87/572445787.db2.gz FCAWUWVYFBTIDR-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP CCN(CC)[C@H](C[NH3+])[C@@H]1CC[N@H+](C)C1 74214391 572445832 /nfs/dbraw/zinc/44/58/32/572445832.db2.gz MNOVCFNNKWCLGP-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP CC[C@@H]([NH3+])[C@]1(N(C)C)CCC[N@H+](C)C1 74214370 572445845 /nfs/dbraw/zinc/44/58/45/572445845.db2.gz XKDYCVRASHDGOB-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP CCN1[C@H](C)CC[N@H+](C)C[C@H]1CC[NH3+] 250346285 572445862 /nfs/dbraw/zinc/44/58/62/572445862.db2.gz QNEJGVIXJNJKKX-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP C[NH+]1CCN([C@@H](C[NH3+])CC2CC2)CC1 74238774 572445870 /nfs/dbraw/zinc/44/58/70/572445870.db2.gz MYNNLUIPGAXSSN-LLVKDONJSA-N 2 0 197.326 0.361 10 0 ACAERP CC[C@H]([NH3+])C1(N(C)C)CC[NH+](C)CC1 74214362 572445806 /nfs/dbraw/zinc/44/58/06/572445806.db2.gz FWJQPTZJUJWSNB-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP C[NH+](C)[C@H](CC[NH3+])Cc1cscn1 74214480 572445884 /nfs/dbraw/zinc/44/58/84/572445884.db2.gz QLAHBLPQLKMXPQ-SECBINFHSA-N 2 0 199.323 0.965 10 0 ACAERP C[NH+](C)CC[C@@H](C[NH3+])N1C[C@H]2C[C@H]2C1 74238746 572445898 /nfs/dbraw/zinc/44/58/98/572445898.db2.gz NUPIVCYKGSONHI-AXFHLTTASA-N 2 0 197.326 0.217 10 0 ACAERP CCC[C@H]([NH3+])[C@H](C)N1CC[NH+](C)CC1 74214351 572445970 /nfs/dbraw/zinc/44/59/70/572445970.db2.gz PVLBRQBRLFCLLR-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H](C[NH3+])N2CCCC2)C1 74238769 572446045 /nfs/dbraw/zinc/44/60/45/572446045.db2.gz JCDHVSHAZUDMRK-GHMZBOCLSA-N 2 0 197.326 0.361 10 0 ACAERP CCC[C@@H]([NH3+])[C@@H](C)N1CC[NH+](C)CC1 74214349 572446123 /nfs/dbraw/zinc/44/61/23/572446123.db2.gz PVLBRQBRLFCLLR-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP C[NH+](C)CCC[C@@H](CN)[NH+]1CCCC1 74214355 572446136 /nfs/dbraw/zinc/44/61/36/572446136.db2.gz FCAWUWVYFBTIDR-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP C[NH2+][C@H]1CNC[C@@H](C)C1 207192819 572448600 /nfs/dbraw/zinc/44/86/00/572448600.db2.gz VHDOORQDUJBLSJ-NKWVEPMBSA-N 2 0 128.219 0.204 10 0 ACAERP CN1C[C@@H]([NH3+])C[C@@H]([C@H]2CC[N@H+](C)C2)C1 74238749 572446191 /nfs/dbraw/zinc/44/61/91/572446191.db2.gz SWEJDTNSVFPHPU-AXFHLTTASA-N 2 0 197.326 0.217 10 0 ACAERP C[C@@H](C[NH+](C)C)N(C)C[C@H]1CC[NH2+]C1 713926192 572446338 /nfs/dbraw/zinc/44/63/38/572446338.db2.gz PHBPLEZXDNBHND-QWRGUYRKSA-N 2 0 199.342 0.478 10 0 ACAERP C[NH+](C)CCC[C@@H]1C[N@H+](C)CC[C@H]1[NH3+] 74214378 572446505 /nfs/dbraw/zinc/44/65/05/572446505.db2.gz VVNLEGIFSFYORE-GHMZBOCLSA-N 3 0 199.342 0.607 10 0 ACAERP C[NH+](C)CCC[C@@H]1C[N@H+](C)CC[C@@H]1[NH3+] 74214376 572446562 /nfs/dbraw/zinc/44/65/62/572446562.db2.gz VVNLEGIFSFYORE-MNOVXSKESA-N 3 0 199.342 0.607 10 0 ACAERP CN1CC[NH+]([C@@H]2CC[C@@H](C[NH3+])C2)CC1 74238779 572446646 /nfs/dbraw/zinc/44/66/46/572446646.db2.gz OHARNAKJYLPCDW-GHMZBOCLSA-N 2 0 197.326 0.361 10 0 ACAERP C[NH+](C)[C@@H](CC[NH3+])Cc1cscn1 74214478 572446651 /nfs/dbraw/zinc/44/66/51/572446651.db2.gz QLAHBLPQLKMXPQ-VIFPVBQESA-N 2 0 199.323 0.965 10 0 ACAERP CN1CC[C@H]([NH+](C)C)[C@H](CCC[NH3+])C1 74214384 572446673 /nfs/dbraw/zinc/44/66/73/572446673.db2.gz JEOKHALFWSEQKA-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP CN1C[C@@H]([NH3+])CC[C@H]1[C@H]1CC[N@H+](C)C1 74238752 572446680 /nfs/dbraw/zinc/44/66/80/572446680.db2.gz GFHDSCCQNNJESQ-DCAQKATOSA-N 2 0 197.326 0.360 10 0 ACAERP CC[C@H]([NH3+])[C@]1(N(C)C)CCC[N@H+](C)C1 74214368 572446878 /nfs/dbraw/zinc/44/68/78/572446878.db2.gz XKDYCVRASHDGOB-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CN1CC[C@@H](CCC[NH+](C)C)[C@H]([NH3+])C1 74214375 572446937 /nfs/dbraw/zinc/44/69/37/572446937.db2.gz GQPZAECWPKZYHX-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP C[NH+](C)[C@H](CC[NH3+])Cc1cncs1 74214476 572446963 /nfs/dbraw/zinc/44/69/63/572446963.db2.gz GCDYMCNYYVVYRC-MRVPVSSYSA-N 2 0 199.323 0.965 10 0 ACAERP CC[C@H]([NH3+])C(C)(C)N1CC[NH+](C)CC1 74214365 572447032 /nfs/dbraw/zinc/44/70/32/572447032.db2.gz YEMAWQDNNDGDDW-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP CCN(CC)[C@@H](C[NH3+])[C@H]1CC[N@H+](C)C1 74214393 572447059 /nfs/dbraw/zinc/44/70/59/572447059.db2.gz MNOVCFNNKWCLGP-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP CC1(C)COCCN1C[C@@H]([NH3+])C1CC1 68895083 572447091 /nfs/dbraw/zinc/44/70/91/572447091.db2.gz XJVXWHTXTWXEAJ-SNVBAGLBSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@H](C[NH+](C)C)OC[C@@H]1CC[NH2+]C1 713927413 572447267 /nfs/dbraw/zinc/44/72/67/572447267.db2.gz URAJWRGMDYGJMD-NXEZZACHSA-N 2 0 186.299 0.563 10 0 ACAERP CC[N@@H+]1C[C@@H](C)C[NH2+][C@@H](C)C1 250344094 572447284 /nfs/dbraw/zinc/44/72/84/572447284.db2.gz QDXQKFFRSWZMMC-IUCAKERBSA-N 2 0 156.273 0.936 10 0 ACAERP CC[C@@H]([NH3+])C(C)(C)N1CC[NH+](C)CC1 74214367 572447321 /nfs/dbraw/zinc/44/73/21/572447321.db2.gz YEMAWQDNNDGDDW-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP Cc1nn[nH]c1[C@@H]([NH3+])CCC[NH+](C)C 74239146 572447336 /nfs/dbraw/zinc/44/73/36/572447336.db2.gz GAFJQNMOWALVCN-QMMMGPOBSA-N 2 0 197.286 0.455 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H](C[NH3+])N2CCCC2)C1 74238767 572447389 /nfs/dbraw/zinc/44/73/89/572447389.db2.gz JCDHVSHAZUDMRK-WDEREUQCSA-N 2 0 197.326 0.361 10 0 ACAERP CN1CC[C@@H]([NH+](C)C)[C@H](CCC[NH3+])C1 74214385 572447524 /nfs/dbraw/zinc/44/75/24/572447524.db2.gz JEOKHALFWSEQKA-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP CN1CC[C@@H](CCC[NH3+])[C@H]([NH+](C)C)C1 74214383 572447582 /nfs/dbraw/zinc/44/75/82/572447582.db2.gz CUVCCOZRCFQGBE-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP CN(C)[C@H]1CCC[N@H+](C)[C@H]1CCC[NH3+] 74214379 572447612 /nfs/dbraw/zinc/44/76/12/572447612.db2.gz DNIUXWRMHSOBQP-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CCC[NH2+]CC(C)(C)[NH2+]C 61319634 572449400 /nfs/dbraw/zinc/44/94/00/572449400.db2.gz QOVPHOIHAUDHCC-UHFFFAOYSA-N 2 0 144.262 0.984 10 0 ACAERP CN1CC[C@H](CCC[NH+](C)C)[C@H]([NH3+])C1 74214374 572447721 /nfs/dbraw/zinc/44/77/21/572447721.db2.gz GQPZAECWPKZYHX-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP CN1CC[NH+](CCC2(C[NH3+])CC2)CC1 74238765 572447764 /nfs/dbraw/zinc/44/77/64/572447764.db2.gz SRPSJZIYYMRPPI-UHFFFAOYSA-N 2 0 197.326 0.363 10 0 ACAERP C[C@H](C[NH3+])C[NH2+]CCC1CC1 83895381 572447875 /nfs/dbraw/zinc/44/78/75/572447875.db2.gz UZHLIIWZCKIEDY-MRVPVSSYSA-N 2 0 156.273 0.971 10 0 ACAERP CC[NH+](CC)CCN(C)C(N)=[NH2+] 238241711 572447896 /nfs/dbraw/zinc/44/78/96/572447896.db2.gz HZMKEXZJBBVURN-UHFFFAOYSA-N 2 0 172.276 0.153 10 0 ACAERP C[C@H]1CN(C[C@H]([NH3+])C2CC2)C[C@@H](C)O1 68893528 572447929 /nfs/dbraw/zinc/44/79/29/572447929.db2.gz WAUYCRMRIPZPLX-NGZCFLSTSA-N 2 0 198.310 0.833 10 0 ACAERP C[C@@H]1CN(C[C@H]([NH3+])C2CC2)C[C@@H](C)O1 68893531 572448191 /nfs/dbraw/zinc/44/81/91/572448191.db2.gz WAUYCRMRIPZPLX-KKZNHRDASA-N 2 0 198.310 0.833 10 0 ACAERP CC1(C)COCCN1C[C@H]([NH3+])C1CC1 68895081 572448256 /nfs/dbraw/zinc/44/82/56/572448256.db2.gz XJVXWHTXTWXEAJ-JTQLQIEISA-N 2 0 198.310 0.835 10 0 ACAERP COC1CC([NH2+][C@H]2CCC[NH2+]CC2)C1 234740040 572448576 /nfs/dbraw/zinc/44/85/76/572448576.db2.gz MEFHLJCQTINZKZ-WHXUTIOJSA-N 2 0 198.310 0.896 10 0 ACAERP CN(C[C@@H]([NH3+])C1CC1)C1CC1 68893832 572450240 /nfs/dbraw/zinc/45/02/40/572450240.db2.gz NTWQURVEWRPDOV-SECBINFHSA-N 2 0 154.257 0.818 10 0 ACAERP CN(C[C@H]([NH3+])C1CC1)C1CC1 68893830 572449019 /nfs/dbraw/zinc/44/90/19/572449019.db2.gz NTWQURVEWRPDOV-VIFPVBQESA-N 2 0 154.257 0.818 10 0 ACAERP C[C@H](C[NH+](C)C)N(C)C[C@H]1CC[NH2+]C1 713926190 572449076 /nfs/dbraw/zinc/44/90/76/572449076.db2.gz PHBPLEZXDNBHND-MNOVXSKESA-N 2 0 199.342 0.478 10 0 ACAERP C[C@H](C[NH+](C)C)N(C)C[C@@H]1CC[NH2+]C1 713926189 572449139 /nfs/dbraw/zinc/44/91/39/572449139.db2.gz PHBPLEZXDNBHND-GHMZBOCLSA-N 2 0 199.342 0.478 10 0 ACAERP CC1(C)CN(C[C@H]([NH3+])C2CC2)CCO1 68894554 572450284 /nfs/dbraw/zinc/45/02/84/572450284.db2.gz KKTAMUVIKOLPAS-JTQLQIEISA-N 2 0 198.310 0.835 10 0 ACAERP C[C@@H](C[NH+](C)C)N(C)C[C@@H]1CC[NH2+]C1 713926193 572449301 /nfs/dbraw/zinc/44/93/01/572449301.db2.gz PHBPLEZXDNBHND-WDEREUQCSA-N 2 0 199.342 0.478 10 0 ACAERP CCN1CC[C@@H]([NH2+]C)[C@@H](C[NH2+]C)C1 238242154 572449626 /nfs/dbraw/zinc/44/96/26/572449626.db2.gz TZLLJCWENTXSMJ-VHSXEESVSA-N 2 0 185.315 0.136 10 0 ACAERP C[C@@H]1CN(C[C@H]([NH3+])C2CC2)[C@H](C)CO1 68894255 572449757 /nfs/dbraw/zinc/44/97/57/572449757.db2.gz ORPFWYDRWHCCMN-KKZNHRDASA-N 2 0 198.310 0.833 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+]CCC1CC1 83895380 572449976 /nfs/dbraw/zinc/44/99/76/572449976.db2.gz UZHLIIWZCKIEDY-QMMMGPOBSA-N 2 0 156.273 0.971 10 0 ACAERP CCN(C)C[C@@H]([NH3+])C1CC1 68893789 572450205 /nfs/dbraw/zinc/45/02/05/572450205.db2.gz DFQISUYWVGJSOS-MRVPVSSYSA-N 2 0 142.246 0.675 10 0 ACAERP CCN(C)C[C@H]([NH3+])C1CC1 68893788 572450641 /nfs/dbraw/zinc/45/06/41/572450641.db2.gz DFQISUYWVGJSOS-QMMMGPOBSA-N 2 0 142.246 0.675 10 0 ACAERP CC1(C)CN(C[C@@H]([NH3+])C2CC2)CCO1 68894557 572450672 /nfs/dbraw/zinc/45/06/72/572450672.db2.gz KKTAMUVIKOLPAS-SNVBAGLBSA-N 2 0 198.310 0.835 10 0 ACAERP CC(C)N1CC([NH2+][C@H](C)CN(C)C)C1 713931807 572450738 /nfs/dbraw/zinc/45/07/38/572450738.db2.gz PBKOOSVIBYJIDI-SNVBAGLBSA-N 2 0 199.342 0.619 10 0 ACAERP CC(C)N1CC([NH2+][C@@H](C)CN(C)C)C1 713931803 572450962 /nfs/dbraw/zinc/45/09/62/572450962.db2.gz PBKOOSVIBYJIDI-JTQLQIEISA-N 2 0 199.342 0.619 10 0 ACAERP CCC1=[NH+][C@H](C)CN1CCC[NH3+] 238243786 572450981 /nfs/dbraw/zinc/45/09/81/572450981.db2.gz LLBNAJCLISDUBR-MRVPVSSYSA-N 2 0 169.272 0.848 10 0 ACAERP C[C@@]1([NH2+]C/C=C\C[NH3+])CCOC1 308031098 572451149 /nfs/dbraw/zinc/45/11/49/572451149.db2.gz ZWLJRIMGIWSOPL-PKRMOACSSA-N 2 0 170.256 0.270 10 0 ACAERP C[N@@H+]1CCCC[C@@H]([C@@H]([NH3+])CO)C1 250554264 572451253 /nfs/dbraw/zinc/45/12/53/572451253.db2.gz ATVIRAURSLFEOG-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP Cn1ccnc1[C@@H]([NH3+])CCC[NH+](C)C 74241156 572451421 /nfs/dbraw/zinc/45/14/21/572451421.db2.gz IGFVHZSIROOQQQ-VIFPVBQESA-N 2 0 196.298 0.762 10 0 ACAERP Cn1ccnc1[C@H]([NH3+])CCC[NH+](C)C 74241153 572451430 /nfs/dbraw/zinc/45/14/30/572451430.db2.gz IGFVHZSIROOQQQ-SECBINFHSA-N 2 0 196.298 0.762 10 0 ACAERP CC[C@H](COC)[NH2+]CC(C)(C)[NH3+] 308027632 572451507 /nfs/dbraw/zinc/45/15/07/572451507.db2.gz HUBHOYMTSDYOJP-MRVPVSSYSA-N 2 0 174.288 0.738 10 0 ACAERP C[N@@H+]1CC[C@@H](O)C[C@@]2(CCC[NH2+]C2)C1 250553675 572451540 /nfs/dbraw/zinc/45/15/40/572451540.db2.gz ASRJAZFCDWJQPG-GHMZBOCLSA-N 2 0 198.310 0.443 10 0 ACAERP CC[C@H](CO)[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 90414510 572451682 /nfs/dbraw/zinc/45/16/82/572451682.db2.gz WVUBLOONEYFHJB-NFLHVTIKSA-N 2 0 198.310 0.630 10 0 ACAERP C[N@@H+]1CCC[C@H]2[C@H](C1)[C@@H]2C[NH3+] 250554285 572451985 /nfs/dbraw/zinc/45/19/85/572451985.db2.gz AUCFLYDKSMVBCG-HLTSFMKQSA-N 2 0 154.257 0.533 10 0 ACAERP C[N@@H+]1CC[C@H](O)C[C@@]2(CCC[NH2+]C2)C1 250553678 572452024 /nfs/dbraw/zinc/45/20/24/572452024.db2.gz ASRJAZFCDWJQPG-WDEREUQCSA-N 2 0 198.310 0.443 10 0 ACAERP Cn1cnc([C@@H]([NH3+])CCC[NH+](C)C)c1 74241167 572452069 /nfs/dbraw/zinc/45/20/69/572452069.db2.gz JLXAOFGKMFTJAI-VIFPVBQESA-N 2 0 196.298 0.762 10 0 ACAERP C[C@]1([NH2+]C/C=C\C[NH3+])CCOC1 308031100 572452137 /nfs/dbraw/zinc/45/21/37/572452137.db2.gz ZWLJRIMGIWSOPL-XADBCAIWSA-N 2 0 170.256 0.270 10 0 ACAERP C[C@@]1([NH2+]C/C=C/C[NH3+])CCOC1 308031095 572452409 /nfs/dbraw/zinc/45/24/09/572452409.db2.gz ZWLJRIMGIWSOPL-GKQMSVHHSA-N 2 0 170.256 0.270 10 0 ACAERP Cn1cnc([C@H]([NH3+])CCC[NH+](C)C)c1 74241165 572452504 /nfs/dbraw/zinc/45/25/04/572452504.db2.gz JLXAOFGKMFTJAI-SECBINFHSA-N 2 0 196.298 0.762 10 0 ACAERP C[N@@H+]1CCCC[C@H]([C@@H]([NH3+])CO)C1 250554268 572453403 /nfs/dbraw/zinc/45/34/03/572453403.db2.gz ATVIRAURSLFEOG-IUCAKERBSA-N 2 0 172.272 0.038 10 0 ACAERP CC[C@@H](COC)[NH2+]CC(C)(C)[NH3+] 308027633 572454135 /nfs/dbraw/zinc/45/41/35/572454135.db2.gz HUBHOYMTSDYOJP-QMMMGPOBSA-N 2 0 174.288 0.738 10 0 ACAERP C[N@@H+]1CCC[C@@H]2[C@H](C[NH3+])[C@H]2C1 250554290 572454209 /nfs/dbraw/zinc/45/42/09/572454209.db2.gz AUCFLYDKSMVBCG-VGMNWLOBSA-N 2 0 154.257 0.533 10 0 ACAERP C[NH+](C)C[C@@H]1CCCN1C(C)(C)C[NH3+] 61643048 572454493 /nfs/dbraw/zinc/45/44/93/572454493.db2.gz LVTRYAXFRSWODN-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP C[N@@H+]1CCC[C@@H]2[C@H](C[NH3+])[C@@H]2C1 250554288 572455196 /nfs/dbraw/zinc/45/51/96/572455196.db2.gz AUCFLYDKSMVBCG-HRDYMLBCSA-N 2 0 154.257 0.533 10 0 ACAERP C[NH+]1CCC(c2nonc2C[NH3+])CC1 74241758 572455324 /nfs/dbraw/zinc/45/53/24/572455324.db2.gz RIKLLSGFQPDLMI-UHFFFAOYSA-N 2 0 196.254 0.338 10 0 ACAERP CC[C@@](C)(CO)[NH2+]CC(C)(C)[NH3+] 308032571 572456439 /nfs/dbraw/zinc/45/64/39/572456439.db2.gz JJQZUYSJMVICOD-VIFPVBQESA-N 2 0 174.288 0.474 10 0 ACAERP [NH3+]CCN1CC[NH+](CCC2CC2)CC1 83926186 572456995 /nfs/dbraw/zinc/45/69/95/572456995.db2.gz UUTBNTWWVHWVLE-UHFFFAOYSA-N 2 0 197.326 0.363 10 0 ACAERP [NH3+]C[C@H]1CC[C@@H](C[NH2+]CCF)O1 308027859 572457090 /nfs/dbraw/zinc/45/70/90/572457090.db2.gz YASRAECJWJFISV-SFYZADRCSA-N 2 0 176.235 0.052 10 0 ACAERP CC[NH+](CC)[C@@H](C)CNC(N)=[NH2+] 238255655 572457352 /nfs/dbraw/zinc/45/73/52/572457352.db2.gz XEBJPZVNMPQCLG-ZETCQYMHSA-N 2 0 172.276 0.200 10 0 ACAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]CCF)O1 308027857 572457367 /nfs/dbraw/zinc/45/73/67/572457367.db2.gz YASRAECJWJFISV-HTQZYQBOSA-N 2 0 176.235 0.052 10 0 ACAERP C[NH+](C)CCC[C@H]([NH3+])c1cnncn1 74243426 572460783 /nfs/dbraw/zinc/46/07/83/572460783.db2.gz GKPFTWBSMHLYEP-QMMMGPOBSA-N 2 0 195.270 0.213 10 0 ACAERP [NH3+]C[C@@H]1CC[C@@H](C[NH2+]CCF)O1 308027860 572457728 /nfs/dbraw/zinc/45/77/28/572457728.db2.gz YASRAECJWJFISV-YUMQZZPRSA-N 2 0 176.235 0.052 10 0 ACAERP [NH3+]C[C@@H]1CC[C@H](C[NH2+]CCF)O1 308027858 572457900 /nfs/dbraw/zinc/45/79/00/572457900.db2.gz YASRAECJWJFISV-JGVFFNPUSA-N 2 0 176.235 0.052 10 0 ACAERP CCC[C@H](N)c1nnc(C2C[NH2+]C2)o1 238252057 572458425 /nfs/dbraw/zinc/45/84/25/572458425.db2.gz KSZZJLUGIQRLDO-ZETCQYMHSA-N 2 0 196.254 0.556 10 0 ACAERP CC[C@](C)(CO)[NH2+]CC(C)(C)[NH3+] 308032564 572458705 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C[N@@H+]1CC[C@@H]([C@@H]([NH3+])C2CCOCC2)C1 250603538 572490213 /nfs/dbraw/zinc/49/02/13/572490213.db2.gz KQKXPWMFMWZPPD-MNOVXSKESA-N 2 0 198.310 0.692 10 0 ACAERP CN1C(C2CC2)=[NH+][C@@H]2C[C@H]([NH3+])CC[C@@H]21 250608002 572490342 /nfs/dbraw/zinc/49/03/42/572490342.db2.gz LVNQLGWUJYCDBT-BBBLOLIVSA-N 2 0 193.294 0.989 10 0 ACAERP CC[C@@H]1CN(CCC[NH2+]C)[C@@H](C)C[NH2+]1 238267592 572490504 /nfs/dbraw/zinc/49/05/04/572490504.db2.gz LKEXVYBVVSPLEV-WDEREUQCSA-N 2 0 199.342 0.668 10 0 ACAERP CN1CC[C@H]([NH3+])[C@H]1CCC[NH+](C)C 250598422 572490657 /nfs/dbraw/zinc/49/06/57/572490657.db2.gz JJJXQKFTXHGQCR-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP C[N@H+]1CC[C@H]([NH2+]C2CC2)[C@H](CO)CC1 250607672 572490699 /nfs/dbraw/zinc/49/06/99/572490699.db2.gz LTGCJNWDTJAHOG-ONGXEEELSA-N 2 0 198.310 0.441 10 0 ACAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]2COCC[C@@H]21 250608105 572490710 /nfs/dbraw/zinc/49/07/10/572490710.db2.gz LXCZVSCITPJEDI-VWYCJHECSA-N 2 0 198.310 0.692 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1[C@H]1CCCOC1 250598215 572490735 /nfs/dbraw/zinc/49/07/35/572490735.db2.gz JHAZAVXUDURMFZ-OUAUKWLOSA-N 2 0 198.310 0.692 10 0 ACAERP CN1CC[C@@H]([NH3+])[C@H]1CCC[NH+](C)C 250598420 572490848 /nfs/dbraw/zinc/49/08/48/572490848.db2.gz JJJXQKFTXHGQCR-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP C[N@@H+]1CCC[C@H]1C[C@@]1(CO)CCC[NH2+]1 250602460 572490870 /nfs/dbraw/zinc/49/08/70/572490870.db2.gz KLGCGLYLJSKHLL-WDEREUQCSA-N 2 0 198.310 0.585 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H](C[NH3+])C2CC2)C1 250600483 572490942 /nfs/dbraw/zinc/49/09/42/572490942.db2.gz JXDMOINESHOJJW-VHSXEESVSA-N 2 0 168.284 0.923 10 0 ACAERP C[N@@H+]1CC[C@H](O)[C@@H](CCC[NH3+])C1 250594997 572490967 /nfs/dbraw/zinc/49/09/67/572490967.db2.gz ILISKUHVJDLACM-IUCAKERBSA-N 2 0 172.272 0.038 10 0 ACAERP COCC1CC([NH2+][C@@H](C)C2C[NH2+]C2)C1 713962619 572490977 /nfs/dbraw/zinc/49/09/77/572490977.db2.gz UZVXBBHJUOKZCS-SILCLGDVSA-N 2 0 198.310 0.609 10 0 ACAERP C[N@@H+]1CC[C@H](O)[C@@H](CCC[NH3+])CC1 250594831 572491096 /nfs/dbraw/zinc/49/10/96/572491096.db2.gz IJVRGYQEHNBWQI-UWVGGRQHSA-N 2 0 186.299 0.428 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1[C@@H]1CCCOC1 250598212 572491126 /nfs/dbraw/zinc/49/11/26/572491126.db2.gz JHAZAVXUDURMFZ-MXWKQRLJSA-N 2 0 198.310 0.692 10 0 ACAERP CN1CC[C@@H]2[C@H](CC[NH3+])C[N@H+](C)[C@H]2C1 250598236 572491155 /nfs/dbraw/zinc/49/11/55/572491155.db2.gz JHDXDDMRVVEJQG-MXWKQRLJSA-N 2 0 197.326 0.217 10 0 ACAERP C[N@@H+]1CCC[C@@H]1[C@H](C[NH3+])N1CCCC1 250608591 572491352 /nfs/dbraw/zinc/49/13/52/572491352.db2.gz MASBQKZVQSZHNX-MNOVXSKESA-N 2 0 197.326 0.504 10 0 ACAERP CN1CC[C@H](C[NH3+])[C@H]1[C@@H]1CCC[NH2+]C1 250604137 572491380 /nfs/dbraw/zinc/49/13/80/572491380.db2.gz KURVAWYCXLCGBY-MXWKQRLJSA-N 2 0 197.326 0.265 10 0 ACAERP C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C1CC1 250596019 572491444 /nfs/dbraw/zinc/49/14/44/572491444.db2.gz IRSGZWKRYXMLDJ-RKDXNWHRSA-N 2 0 154.257 0.818 10 0 ACAERP CN1CC[C@H]([C@H]2CC[N@H+](C)C2)[C@H]([NH3+])C1 250604161 572491484 /nfs/dbraw/zinc/49/14/84/572491484.db2.gz KUTZOVGFARHGAG-HBNTYKKESA-N 2 0 197.326 0.217 10 0 ACAERP C[NH+]1CC[C@H](C[NH3+])[C@@H]2C[N@H+](C)CC[C@H]21 250606796 572491558 /nfs/dbraw/zinc/49/15/58/572491558.db2.gz LNHHRLAWDKZAEU-OUAUKWLOSA-N 3 0 197.326 0.217 10 0 ACAERP CN1CC[C@H](C[NH3+])[C@@H]1[C@H]1CCC[NH2+]C1 250604140 572491667 /nfs/dbraw/zinc/49/16/67/572491667.db2.gz KURVAWYCXLCGBY-OUAUKWLOSA-N 2 0 197.326 0.265 10 0 ACAERP CCOC[C@@H]([NH3+])Cc1c[nH+]ccc1N 84063994 572491727 /nfs/dbraw/zinc/49/17/27/572491727.db2.gz PCFIFWIUIZDRKR-VIFPVBQESA-N 2 0 195.266 0.570 10 0 ACAERP C[C@@H](CC[NH3+])N1CC[N@H+](C)C[C@@H]1C 235083682 572491824 /nfs/dbraw/zinc/49/18/24/572491824.db2.gz WKUOCOYEGSBURR-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP CN1C(C2CC2)=[NH+][C@@H]2C[C@H]([NH3+])CC[C@H]21 250608006 572491865 /nfs/dbraw/zinc/49/18/65/572491865.db2.gz LVNQLGWUJYCDBT-OPRDCNLKSA-N 2 0 193.294 0.989 10 0 ACAERP CN1CC[C@H]([C@@H]2CC[N@H+](C)C2)[C@@H]([NH3+])C1 250604164 572491900 /nfs/dbraw/zinc/49/19/00/572491900.db2.gz KUTZOVGFARHGAG-MXWKQRLJSA-N 2 0 197.326 0.217 10 0 ACAERP CC(C)C[N@@H+]1CC[C@H]([C@@H]([NH3+])CO)C1 250601242 572491961 /nfs/dbraw/zinc/49/19/61/572491961.db2.gz RQHALQJWXPMXLE-UWVGGRQHSA-N 2 0 186.299 0.284 10 0 ACAERP CCOC[C@H]([NH3+])Cc1c[nH+]ccc1N 84063993 572491971 /nfs/dbraw/zinc/49/19/71/572491971.db2.gz PCFIFWIUIZDRKR-SECBINFHSA-N 2 0 195.266 0.570 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]2CSC[C@H]21 250600082 572492016 /nfs/dbraw/zinc/49/20/16/572492016.db2.gz JTRFAXHIGKYFGZ-HRDYMLBCSA-N 2 0 186.324 0.628 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@H](C[NH3+])N2CCC2)C1 250609546 572492040 /nfs/dbraw/zinc/49/20/40/572492040.db2.gz MGTOBRSXKWQXOX-MNOVXSKESA-N 2 0 197.326 0.361 10 0 ACAERP C[N@@H+]1CC[C@H](CO)[C@@H]([NH2+]C2CC2)CC1 250607670 572492054 /nfs/dbraw/zinc/49/20/54/572492054.db2.gz LTGCJNWDTJAHOG-KOLCDFICSA-N 2 0 198.310 0.441 10 0 ACAERP CN1CC[C@H]2[C@@H](C1)[N@@H+](C)C[C@@H]2CC[NH3+] 250598233 572492127 /nfs/dbraw/zinc/49/21/27/572492127.db2.gz JHDXDDMRVVEJQG-HBNTYKKESA-N 2 0 197.326 0.217 10 0 ACAERP CN1C[C@@H](C[NH+]2CCCCC2)[C@@H]([NH3+])C1 250600134 572492359 /nfs/dbraw/zinc/49/23/59/572492359.db2.gz JUAFVMHSYBSTRA-QWRGUYRKSA-N 2 0 197.326 0.361 10 0 ACAERP C[N@@H+]1CCCC[C@@H]1CC[C@@H](O)C[NH3+] 250600913 572492413 /nfs/dbraw/zinc/49/24/13/572492413.db2.gz JZKQWFKIDQRTEK-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP CN1CC[C@H]([C@@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 250603137 572492528 /nfs/dbraw/zinc/49/25/28/572492528.db2.gz KPHUWGKYZXTDSP-MXWKQRLJSA-N 2 0 197.326 0.265 10 0 ACAERP C[N@@H+]1C[C@H](C[NH3+])[C@H]2CSC[C@H]21 250627208 572495004 /nfs/dbraw/zinc/49/50/04/572495004.db2.gz QKEFZZCKSFJBGL-XLPZGREQSA-N 2 0 172.297 0.238 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H](C[NH3+])N2CCCC2)C1 250597396 572492624 /nfs/dbraw/zinc/49/26/24/572492624.db2.gz JCDHVSHAZUDMRK-QWRGUYRKSA-N 2 0 197.326 0.361 10 0 ACAERP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@H](O)C2)CC1 250604965 572492650 /nfs/dbraw/zinc/49/26/50/572492650.db2.gz KZJIZVALDISOTB-WDEREUQCSA-N 2 0 198.310 0.537 10 0 ACAERP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@H](O)C2)CC1 250604962 572492714 /nfs/dbraw/zinc/49/27/14/572492714.db2.gz KZJIZVALDISOTB-GHMZBOCLSA-N 2 0 198.310 0.537 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H]([NH3+])C2CCOCC2)C1 250603541 572492789 /nfs/dbraw/zinc/49/27/89/572492789.db2.gz KQKXPWMFMWZPPD-QWRGUYRKSA-N 2 0 198.310 0.692 10 0 ACAERP C[N@@H+]1CC[C@H](O)[C@H](CCC[NH3+])CC1 250594837 572492842 /nfs/dbraw/zinc/49/28/42/572492842.db2.gz IJVRGYQEHNBWQI-ZJUUUORDSA-N 2 0 186.299 0.428 10 0 ACAERP CN1CC[C@H]([C@@H]2CC[N@H+](C)C2)[C@H]([NH3+])C1 250604158 572492926 /nfs/dbraw/zinc/49/29/26/572492926.db2.gz KUTZOVGFARHGAG-GMTAPVOTSA-N 2 0 197.326 0.217 10 0 ACAERP COC[C@H]([NH2+]CCC[NH3+])C1CC1 87479013 572492960 /nfs/dbraw/zinc/49/29/60/572492960.db2.gz CZZCCTMSYHENGR-VIFPVBQESA-N 2 0 172.272 0.350 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]2CSC[C@H]21 250600084 572493117 /nfs/dbraw/zinc/49/31/17/572493117.db2.gz JTRFAXHIGKYFGZ-IWSPIJDZSA-N 2 0 186.324 0.628 10 0 ACAERP CC(C)C[N@@H+]1CC[C@@H]([C@@H]([NH3+])CO)C1 250601245 572493163 /nfs/dbraw/zinc/49/31/63/572493163.db2.gz RQHALQJWXPMXLE-ZJUUUORDSA-N 2 0 186.299 0.284 10 0 ACAERP Cc1cnn(CC[NH2+]C2CC([NH3+])C2)c1 235946271 572493199 /nfs/dbraw/zinc/49/31/99/572493199.db2.gz KHYUBPFKSQZWEC-UHFFFAOYSA-N 2 0 194.282 0.271 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]2CSC[C@@H]21 250600086 572493280 /nfs/dbraw/zinc/49/32/80/572493280.db2.gz JTRFAXHIGKYFGZ-VGMNWLOBSA-N 2 0 186.324 0.628 10 0 ACAERP CN1CC[C@H]([C@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 250603132 572493362 /nfs/dbraw/zinc/49/33/62/572493362.db2.gz KPHUWGKYZXTDSP-AXFHLTTASA-N 2 0 197.326 0.265 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]2COCC[C@H]21 250623343 572495120 /nfs/dbraw/zinc/49/51/20/572495120.db2.gz PRKJWSZMOKVUNP-OPRDCNLKSA-N 2 0 184.283 0.302 10 0 ACAERP CN1CC[C@@H]([NH3+])C[C@H]1CC[NH+](C)C 250606129 572493376 /nfs/dbraw/zinc/49/33/76/572493376.db2.gz LGVSATINKHWKAT-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP COC[C@@H]([NH2+]CCC[NH3+])C1CC1 87479016 572493426 /nfs/dbraw/zinc/49/34/26/572493426.db2.gz CZZCCTMSYHENGR-SECBINFHSA-N 2 0 172.272 0.350 10 0 ACAERP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]2COCC[C@H]21 250608103 572493451 /nfs/dbraw/zinc/49/34/51/572493451.db2.gz LXCZVSCITPJEDI-OUAUKWLOSA-N 2 0 198.310 0.692 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1[C@H]1CCCOC1 250598217 572493473 /nfs/dbraw/zinc/49/34/73/572493473.db2.gz JHAZAVXUDURMFZ-VWYCJHECSA-N 2 0 198.310 0.692 10 0 ACAERP C[N@@H+]1CC[C@@H](CCC[NH3+])[C@@H](O)C1 250595449 572493532 /nfs/dbraw/zinc/49/35/32/572493532.db2.gz IPIMZIQBJPFHJH-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@H](C[NH3+])N2CCCC2)C1 250597395 572493542 /nfs/dbraw/zinc/49/35/42/572493542.db2.gz JCDHVSHAZUDMRK-MNOVXSKESA-N 2 0 197.326 0.361 10 0 ACAERP C[N@@H+]1CCCC[C@H]1CC[C@@H](O)C[NH3+] 250600914 572493567 /nfs/dbraw/zinc/49/35/67/572493567.db2.gz JZKQWFKIDQRTEK-VHSXEESVSA-N 2 0 186.299 0.571 10 0 ACAERP CN1CC[C@@H]2[C@@H](CC[NH3+])C[N@H+](C)[C@H]2C1 250598231 572493573 /nfs/dbraw/zinc/49/35/73/572493573.db2.gz JHDXDDMRVVEJQG-AXFHLTTASA-N 2 0 197.326 0.217 10 0 ACAERP COC[C@@H]([NH2+]CCCC[NH3+])C1CC1 87479028 572493640 /nfs/dbraw/zinc/49/36/40/572493640.db2.gz SAMBEQZOJZSEGL-SNVBAGLBSA-N 2 0 186.299 0.740 10 0 ACAERP CC[C@H](C)[N@@H+]1CCO[C@@H](CC[NH3+])C1 238267897 572493663 /nfs/dbraw/zinc/49/36/63/572493663.db2.gz RKIRGNGFDFYFAJ-UWVGGRQHSA-N 2 0 186.299 0.835 10 0 ACAERP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1[C@@H]1CCOC1 250631397 572493897 /nfs/dbraw/zinc/49/38/97/572493897.db2.gz RFPCCHNYPWJWGX-UTLUCORTSA-N 2 0 184.283 0.444 10 0 ACAERP CN1CCC[C@H](C[NH3+])[C@H]2C[N@H+](C)C[C@H]21 250606237 572494052 /nfs/dbraw/zinc/49/40/52/572494052.db2.gz LIHOJRDLRGYYOU-GMTAPVOTSA-N 2 0 197.326 0.217 10 0 ACAERP C[N@@H+]1CCC[C@@H]1C[C@@]1(CO)CCC[NH2+]1 250602459 572494063 /nfs/dbraw/zinc/49/40/63/572494063.db2.gz KLGCGLYLJSKHLL-GHMZBOCLSA-N 2 0 198.310 0.585 10 0 ACAERP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1[C@H]1CCOC1 250631389 572494237 /nfs/dbraw/zinc/49/42/37/572494237.db2.gz RFPCCHNYPWJWGX-GUBZILKMSA-N 2 0 184.283 0.444 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@H](C[NH3+])C2CC2)C1 250600481 572494305 /nfs/dbraw/zinc/49/43/05/572494305.db2.gz JXDMOINESHOJJW-NXEZZACHSA-N 2 0 168.284 0.923 10 0 ACAERP C[N@H+]1C[C@H](c2cccnc2)[C@H](C[NH3+])C1 250599698 572494358 /nfs/dbraw/zinc/49/43/58/572494358.db2.gz JRRFNYMHFPLSEQ-GHMZBOCLSA-N 2 0 191.278 0.686 10 0 ACAERP C[N@@H+]1C[C@H](C[NH3+])[C@@H](c2cccnc2)C1 250599699 572494392 /nfs/dbraw/zinc/49/43/92/572494392.db2.gz JRRFNYMHFPLSEQ-WDEREUQCSA-N 2 0 191.278 0.686 10 0 ACAERP C[NH2+]C[C@@H](C)N(C)Cc1nccn1C 62326044 572494432 /nfs/dbraw/zinc/49/44/32/572494432.db2.gz ZHFJMNUOXJQHKR-SECBINFHSA-N 2 0 196.298 0.460 10 0 ACAERP CCC[C@@H]1CC[N@H+](CCNC(N)=[NH2+])C1 238268987 572494507 /nfs/dbraw/zinc/49/45/07/572494507.db2.gz DDBAMSFGMSVEQS-SECBINFHSA-N 2 0 198.314 0.591 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CC[C@@H]([NH3+])CO 250616640 572495013 /nfs/dbraw/zinc/49/50/13/572495013.db2.gz OBZXENIRITYFMD-RKDXNWHRSA-N 2 0 172.272 0.180 10 0 ACAERP CCN(C)C[C@@H]([NH3+])Cc1ccncc1 74247562 572497186 /nfs/dbraw/zinc/49/71/86/572497186.db2.gz UQUDFJKQUNDLFW-NSHDSACASA-N 2 0 193.294 0.903 10 0 ACAERP C[N@@H+]1CC[C@@H]2C[C@H](C[NH3+])C[C@H]2C1 250617950 572494933 /nfs/dbraw/zinc/49/49/33/572494933.db2.gz OLFJGVGKZBVVRW-AEJSXWLSSA-N 2 0 168.284 0.923 10 0 ACAERP C[N@@H+]1CCC[C@H]1CC[C@@H]([NH3+])CO 250616637 572495029 /nfs/dbraw/zinc/49/50/29/572495029.db2.gz OBZXENIRITYFMD-BDAKNGLRSA-N 2 0 172.272 0.180 10 0 ACAERP C[N@@H+]1C[C@H](CC[NH3+])[C@@H]2CCOC[C@H]21 250625927 572494979 /nfs/dbraw/zinc/49/49/79/572494979.db2.gz QCJIIJJJBSKJNL-LPEHRKFASA-N 2 0 184.283 0.302 10 0 ACAERP C[N@@H+]1CCC[C@H](CC[C@@H]([NH3+])CO)C1 250627807 572495057 /nfs/dbraw/zinc/49/50/57/572495057.db2.gz QNPBQKDTCUAEDS-NXEZZACHSA-N 2 0 186.299 0.428 10 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CCCN(CC[NH3+])[C@H](C)C[NH+](C)C 714003742 572542391 /nfs/dbraw/zinc/54/23/91/572542391.db2.gz XTQHHNPNKFMPTQ-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP CCCN(CC[NH3+])[C@@H](C)C[NH+](C)C 714003740 572542484 /nfs/dbraw/zinc/54/24/84/572542484.db2.gz XTQHHNPNKFMPTQ-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1[C@@H]1CCOC1 74282719 572542493 /nfs/dbraw/zinc/54/24/93/572542493.db2.gz RFPCCHNYPWJWGX-KXUCPTDWSA-N 2 0 184.283 0.444 10 0 ACAERP C[C@H](C[NH3+])N(C)[C@H]1CCCC[N@H+](C)C1 251152220 572542775 /nfs/dbraw/zinc/54/27/75/572542775.db2.gz YJDGVOPAJBXTJW-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP C[NH+](C)CCCCC[NH2+]CCC[NH3+] 238297544 572542780 /nfs/dbraw/zinc/54/27/80/572542780.db2.gz SMNVNTSUMUIXOD-UHFFFAOYSA-N 3 0 187.331 0.657 10 0 ACAERP CC[C@H]1C[NH2+]CCN1[C@H](C)C[NH+](C)C 714003764 572542969 /nfs/dbraw/zinc/54/29/69/572542969.db2.gz XUQKJXIHKNPHFH-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP CCC[N@H+](C)CCN[C@H](C)C[NH3+] 688686206 572543072 /nfs/dbraw/zinc/54/30/72/572543072.db2.gz KQNPYNBCVQIBEK-SECBINFHSA-N 2 0 173.304 0.265 10 0 ACAERP CN1CC[NH+]=C1CCCCC[NH3+] 238298335 572543090 /nfs/dbraw/zinc/54/30/90/572543090.db2.gz HHCYGRLIHBXNLS-UHFFFAOYSA-N 2 0 169.272 0.849 10 0 ACAERP C[NH2+][C@@H](C)CN1CCCC[C@H]1CO 251146090 572543093 /nfs/dbraw/zinc/54/30/93/572543093.db2.gz XHWXJSWGSIZXKW-UWVGGRQHSA-N 2 0 186.299 0.441 10 0 ACAERP CCOC(=O)C[C@@H]([NH3+])CCC[NH3+] 238298021 572543108 /nfs/dbraw/zinc/54/31/08/572543108.db2.gz FZQGFMKGFXUDLY-ZETCQYMHSA-N 2 0 174.244 0.006 10 0 ACAERP C[N@@H+]1CC[C@]2(C[C@H](C[NH3+])CCO2)C1 74282730 572543179 /nfs/dbraw/zinc/54/31/79/572543179.db2.gz BJOZOYIGDKESNV-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP C[NH2+][C@H](C)CN1CCCC[C@H]1CO 251146093 572543275 /nfs/dbraw/zinc/54/32/75/572543275.db2.gz XHWXJSWGSIZXKW-ZJUUUORDSA-N 2 0 186.299 0.441 10 0 ACAERP C[C@@H](C[NH3+])N1CC[C@@H]([NH+]2CCC2)C1 251148257 572543351 /nfs/dbraw/zinc/54/33/51/572543351.db2.gz XVZLVRZXRYSPMY-VHSXEESVSA-N 2 0 183.299 0.114 10 0 ACAERP C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1[C@@H]1CCOC1 74282714 572543368 /nfs/dbraw/zinc/54/33/68/572543368.db2.gz DYPHIQDIXFUQDK-OPRDCNLKSA-N 2 0 184.283 0.444 10 0 ACAERP CC[C@H]1C[NH2+]CCN1[C@@H](C)C[NH+](C)C 714003768 572543405 /nfs/dbraw/zinc/54/34/05/572543405.db2.gz XUQKJXIHKNPHFH-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP CC[N@@H+]1CCCN(C/C=C\C[NH3+])CC1 307794795 572543427 /nfs/dbraw/zinc/54/34/27/572543427.db2.gz NHCBKVMWSCNIQP-ARJAWSKDSA-N 2 0 197.326 0.529 10 0 ACAERP CN1CC[C@H]([NH+](C)C)[C@@H](CCC[NH3+])C1 238298880 572543457 /nfs/dbraw/zinc/54/34/57/572543457.db2.gz JEOKHALFWSEQKA-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP CCC[N@H+](C)CCN[C@@H](C)C[NH3+] 688686207 572543503 /nfs/dbraw/zinc/54/35/03/572543503.db2.gz KQNPYNBCVQIBEK-VIFPVBQESA-N 2 0 173.304 0.265 10 0 ACAERP C[N@H+]1C[C@@H]2[C@H](C[NH2+]C2(C)C)C1 251150715 572543781 /nfs/dbraw/zinc/54/37/81/572543781.db2.gz LDDNTXJBEGAFAC-HTQZYQBOSA-N 2 0 154.257 0.546 10 0 ACAERP C[C@H]([NH3+])CN1CCC[C@@H](C[NH+](C)C)C1 251150756 572543806 /nfs/dbraw/zinc/54/38/06/572543806.db2.gz YBOKMAQBDPJIMJ-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@@H]([NH3+])CN1CCC[C@@H](C[NH+](C)C)C1 251150754 572543978 /nfs/dbraw/zinc/54/39/78/572543978.db2.gz YBOKMAQBDPJIMJ-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP C[NH2+][C@H](C)CN1CC[C@@H]([NH+]2CCC2)C1 251146934 572544108 /nfs/dbraw/zinc/54/41/08/572544108.db2.gz XPKNYTALPOIQPB-GHMZBOCLSA-N 2 0 197.326 0.374 10 0 ACAERP C[NH+]1CCC([C@H](CN)[NH+](C)C)CC1 74280814 572544207 /nfs/dbraw/zinc/54/42/07/572544207.db2.gz WAXUFHZSYJKRSG-JTQLQIEISA-N 2 0 185.315 0.217 10 0 ACAERP C[C@@H](C[NH3+])N(C)[C@H]1CCCC[N@H+](C)C1 251152222 572544270 /nfs/dbraw/zinc/54/42/70/572544270.db2.gz YJDGVOPAJBXTJW-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP [NH3+]C1(CC[N@@H+]2CCC[C@@H]2CO)CC1 74282787 572544272 /nfs/dbraw/zinc/54/42/72/572544272.db2.gz QHLUBXGILZBYED-SECBINFHSA-N 2 0 184.283 0.325 10 0 ACAERP C[NH2+][C@@H](C)CN1CC[C@@H]([NH+]2CCC2)C1 251146935 572544324 /nfs/dbraw/zinc/54/43/24/572544324.db2.gz XPKNYTALPOIQPB-WDEREUQCSA-N 2 0 197.326 0.374 10 0 ACAERP C[C@@H]([NH3+])C1(N(C)C)CC[NH+](C)CC1 74280809 572544389 /nfs/dbraw/zinc/54/43/89/572544389.db2.gz JOGXEJFTJYZHQH-SECBINFHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H]([NH3+])C1(N(C)C)CC[NH+](C)CC1 74280806 572544515 /nfs/dbraw/zinc/54/45/15/572544515.db2.gz JOGXEJFTJYZHQH-VIFPVBQESA-N 2 0 185.315 0.360 10 0 ACAERP C[N@@H+]1C[C@H]2C[NH2+]C(C)(C)[C@H]2C1 251150716 572544545 /nfs/dbraw/zinc/54/45/45/572544545.db2.gz LDDNTXJBEGAFAC-SFYZADRCSA-N 2 0 154.257 0.546 10 0 ACAERP C[NH+]1CCC([C@@H](CN)[NH+](C)C)CC1 74280811 572544617 /nfs/dbraw/zinc/54/46/17/572544617.db2.gz WAXUFHZSYJKRSG-SNVBAGLBSA-N 2 0 185.315 0.217 10 0 ACAERP CCCC[NH2+]Cc1cn(CC[NH3+])nn1 84378922 572545640 /nfs/dbraw/zinc/54/56/40/572545640.db2.gz NWBCXTIGYXRFAB-UHFFFAOYSA-N 2 0 197.286 0.127 10 0 ACAERP C[C@H](C[NH3+])N1CC[C@@H]([NH+]2CCC2)C1 251148256 572545699 /nfs/dbraw/zinc/54/56/99/572545699.db2.gz 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CC(C)[C@H]1C[NH2+]CCN1[C@H]1CC[NH2+]C1 251439730 572573843 /nfs/dbraw/zinc/57/38/43/572573843.db2.gz UZJSTPOAUKYHKP-WDEREUQCSA-N 2 0 197.326 0.278 10 0 ACAERP CC[C@@H]1[C@H](O)[C@@H](C[NH3+])C[N@@H+]1C(C)C 251470378 572574758 /nfs/dbraw/zinc/57/47/58/572574758.db2.gz BKFSUYZHPYCJCL-IVZWLZJFSA-N 2 0 186.299 0.425 10 0 ACAERP C[NH2+]CC[C@H]1C[N@H+](C)[C@@H](C)CCN1C 251521968 572574870 /nfs/dbraw/zinc/57/48/70/572574870.db2.gz ACXFCQRQNXMOCV-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP CC[C@@H]1[C@@H](O)[C@@H](C[NH3+])C[N@@H+]1C(C)C 251470375 572575864 /nfs/dbraw/zinc/57/58/64/572575864.db2.gz BKFSUYZHPYCJCL-AEJSXWLSSA-N 2 0 186.299 0.425 10 0 ACAERP COCCC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238343446 572576678 /nfs/dbraw/zinc/57/66/78/572576678.db2.gz GWXQWRZWVHPTFW-RTCCRHLQSA-N 2 0 198.310 0.977 10 0 ACAERP [NH3+]C[C@@H](O)CC[NH+]1CCC(F)CC1 689472745 572576880 /nfs/dbraw/zinc/57/68/80/572576880.db2.gz UUOGRZBMXDHOCE-VIFPVBQESA-N 2 0 190.262 0.130 10 0 ACAERP [NH3+]C[C@H](O)CC[NH+]1CCC(F)CC1 689472741 572577032 /nfs/dbraw/zinc/57/70/32/572577032.db2.gz UUOGRZBMXDHOCE-SECBINFHSA-N 2 0 190.262 0.130 10 0 ACAERP C[NH2+]CCN[C@@H](CO)c1ccccc1 238342677 572577857 /nfs/dbraw/zinc/57/78/57/572577857.db2.gz NPEVMIYGKWOFGS-NSHDSACASA-N 2 0 194.278 0.529 10 0 ACAERP C[NH+](C)Cc1cc([C@@H](O)C[NH3+])c[nH]1 74299210 572577868 /nfs/dbraw/zinc/57/78/68/572577868.db2.gz PCRFOMDBLOGQHH-VIFPVBQESA-N 2 0 183.255 0.068 10 0 ACAERP C[NH2+]CCN[C@@H](C[NH3+])CC(C)C 238342637 572577922 /nfs/dbraw/zinc/57/79/22/572577922.db2.gz AIQHHULUGKXUEW-SECBINFHSA-N 2 0 173.304 0.169 10 0 ACAERP C[C@@H]([NH3+])c1cc(CC[NH+](C)C)no1 74299283 572578018 /nfs/dbraw/zinc/57/80/18/572578018.db2.gz MGKOLJLLLRNRSJ-SSDOTTSWSA-N 2 0 183.255 0.798 10 0 ACAERP CC[NH2+]C[C@H]1CC12CC[NH2+]CC2 69792599 572578144 /nfs/dbraw/zinc/57/81/44/572578144.db2.gz CSQWHCXAHBNQDC-SECBINFHSA-N 2 0 168.284 0.986 10 0 ACAERP CCC(CC)[NH2+]C[C@H](O)C[NH2+]C 308069491 572578412 /nfs/dbraw/zinc/57/84/12/572578412.db2.gz ATPDIZNBTKQGFQ-SECBINFHSA-N 2 0 174.288 0.345 10 0 ACAERP CN1CC[C@@H](C[NH3+])[C@H]1c1cnn(C)c1 69796259 572578455 /nfs/dbraw/zinc/57/84/55/572578455.db2.gz BZRNPIKAUNDYSX-WPRPVWTQSA-N 2 0 194.282 0.372 10 0 ACAERP C[C@H]1CCN(C)C[C@@H](CN(C)C)[NH2+]1 251571777 572578620 /nfs/dbraw/zinc/57/86/20/572578620.db2.gz DKZKTJSFPSJTOY-VHSXEESVSA-N 2 0 185.315 0.230 10 0 ACAERP C[NH+](C)CCc1oncc1CC[NH3+] 74299146 572578786 /nfs/dbraw/zinc/57/87/86/572578786.db2.gz CSWZTIBFDALZNV-UHFFFAOYSA-N 2 0 183.255 0.280 10 0 ACAERP C[NH2+]CCN[C@H](C[NH3+])CC(C)C 238342759 572578971 /nfs/dbraw/zinc/57/89/71/572578971.db2.gz AIQHHULUGKXUEW-VIFPVBQESA-N 2 0 173.304 0.169 10 0 ACAERP C[C@@H]1CCN(C)C[C@@H](CN(C)C)[NH2+]1 251571769 572579351 /nfs/dbraw/zinc/57/93/51/572579351.db2.gz DKZKTJSFPSJTOY-NXEZZACHSA-N 2 0 185.315 0.230 10 0 ACAERP CN1CC[C@H](C[NH3+])[C@@H]1c1cnn(C)c1 69796265 572579600 /nfs/dbraw/zinc/57/96/00/572579600.db2.gz BZRNPIKAUNDYSX-PSASIEDQSA-N 2 0 194.282 0.372 10 0 ACAERP C[NH+](C)CCc1cc(CC[NH3+])on1 74299284 572579650 /nfs/dbraw/zinc/57/96/50/572579650.db2.gz YDRRYWFXXROCEI-UHFFFAOYSA-N 2 0 183.255 0.280 10 0 ACAERP CN1CC[C@H](C[NH3+])[C@H]1c1cnn(C)c1 69796263 572579835 /nfs/dbraw/zinc/57/98/35/572579835.db2.gz BZRNPIKAUNDYSX-SCZZXKLOSA-N 2 0 194.282 0.372 10 0 ACAERP C[C@H]([NH3+])c1cc(CC[NH+](C)C)no1 74299282 572579848 /nfs/dbraw/zinc/57/98/48/572579848.db2.gz MGKOLJLLLRNRSJ-ZETCQYMHSA-N 2 0 183.255 0.798 10 0 ACAERP C[NH2+]CCN(C)CC[NH+]1CCCCC1 69802045 572580023 /nfs/dbraw/zinc/58/00/23/572580023.db2.gz XONIZQJRFJYELK-UHFFFAOYSA-N 2 0 199.342 0.624 10 0 ACAERP CC[NH2+]C[C@@H]1CC12CC[NH2+]CC2 69792597 572580159 /nfs/dbraw/zinc/58/01/59/572580159.db2.gz CSQWHCXAHBNQDC-VIFPVBQESA-N 2 0 168.284 0.986 10 0 ACAERP COC[C@@H](C)[C@H](C)[NH2+]CCC[NH3+] 308069265 572580269 /nfs/dbraw/zinc/58/02/69/572580269.db2.gz ARJHFIIFZIVHHY-BDAKNGLRSA-N 2 0 174.288 0.596 10 0 ACAERP CCC(CC)[NH2+]C[C@@H](O)C[NH2+]C 308069493 572580319 /nfs/dbraw/zinc/58/03/19/572580319.db2.gz ATPDIZNBTKQGFQ-VIFPVBQESA-N 2 0 174.288 0.345 10 0 ACAERP CN1CC[C@@H](C[NH3+])[C@@H]1c1cnn(C)c1 69796261 572580389 /nfs/dbraw/zinc/58/03/89/572580389.db2.gz BZRNPIKAUNDYSX-WCBMZHEXSA-N 2 0 194.282 0.372 10 0 ACAERP C[NH2+]CCNCc1[nH]cnc1C 238342393 572580777 /nfs/dbraw/zinc/58/07/77/572580777.db2.gz SASHMBRBJNHPQG-UHFFFAOYSA-N 2 0 168.244 0.027 10 0 ACAERP C[NH+](C)Cc1cc([C@H](O)C[NH3+])c[nH]1 74299209 572580960 /nfs/dbraw/zinc/58/09/60/572580960.db2.gz PCRFOMDBLOGQHH-SECBINFHSA-N 2 0 183.255 0.068 10 0 ACAERP C[C@H]([NH3+])c1cnc(CC[NH+](C)C)o1 74299231 572581218 /nfs/dbraw/zinc/58/12/18/572581218.db2.gz PFGDAUMUAZMEFK-ZETCQYMHSA-N 2 0 183.255 0.798 10 0 ACAERP C[NH2+]CCc1ccc(CC[NH2+]C)n1C 238350276 572581789 /nfs/dbraw/zinc/58/17/89/572581789.db2.gz CGPRBTBDNHJLHA-UHFFFAOYSA-N 2 0 195.310 0.549 10 0 ACAERP C[NH2+]C[C@@H]1C[N@H+](C)C[C@@H](C)CN1C 251591929 572581982 /nfs/dbraw/zinc/58/19/82/572581982.db2.gz FSIBOQKQWYQHOB-NXEZZACHSA-N 2 0 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C[C@H](CC(N)=[NH2+])[NH+](C)C 48249891 572646244 /nfs/dbraw/zinc/64/62/44/572646244.db2.gz UFFGGCPLLPLBFO-RXMQYKEDSA-N 2 0 129.207 0.263 10 0 ACAERP C[C@@H](CO)C[NH2+]C[C@H]1CCC[NH2+]C1 87647473 572646268 /nfs/dbraw/zinc/64/62/68/572646268.db2.gz PMGHXYBWPNDRSO-ZJUUUORDSA-N 2 0 186.299 0.204 10 0 ACAERP C[C@@H](CNC[C@@H]1CCC[NH2+]C1)[NH+](C)C 87646769 572646180 /nfs/dbraw/zinc/64/61/80/572646180.db2.gz LEUBLXOSIWILNA-WDEREUQCSA-N 2 0 199.342 0.526 10 0 ACAERP CCn1cc[nH+]c1NC/C=C\C[NH3+] 308085857 572646400 /nfs/dbraw/zinc/64/64/00/572646400.db2.gz AHBHHWCFHPBDBH-ARJAWSKDSA-N 2 0 180.255 0.830 10 0 ACAERP CC[NH2+][C@H](C)[C@H](O)[C@@H]1CCC[NH2+]C1 87650537 572648463 /nfs/dbraw/zinc/64/84/63/572648463.db2.gz ANGPWHULZZMFMB-BBBLOLIVSA-N 2 0 186.299 0.345 10 0 ACAERP CC[C@H](O)C[NH2+][C@H](C)[C@H](C)[NH3+] 307854437 572646549 /nfs/dbraw/zinc/64/65/49/572646549.db2.gz CSMUFKJJTCVULW-RNJXMRFFSA-N 2 0 160.261 0.083 10 0 ACAERP CCC[NH2+]C[C@](C)(O)[C@H](C)[NH2+]CC 85076744 572646613 /nfs/dbraw/zinc/64/66/13/572646613.db2.gz IUPOXFWGLBXSRG-UWVGGRQHSA-N 2 0 188.315 0.735 10 0 ACAERP CC[C@H](O)C[NH2+][C@@H](C)[C@H](C)[NH3+] 307854430 572646674 /nfs/dbraw/zinc/64/66/74/572646674.db2.gz CSMUFKJJTCVULW-FXQIFTODSA-N 2 0 160.261 0.083 10 0 ACAERP C[C@@H]1CC[N@H+](C)C[C@@H]([C@@H](O)C[NH3+])C1 251814743 572646730 /nfs/dbraw/zinc/64/67/30/572646730.db2.gz ZEFHSIIOCXBNCF-UTLUCORTSA-N 2 0 186.299 0.284 10 0 ACAERP CC[C@@H]1C[C@H](C)[NH2+]C[C@H]1C[NH3+] 251801418 572646830 /nfs/dbraw/zinc/64/68/30/572646830.db2.gz YFXKGVHSYFZRIW-DJLDLDEBSA-N 2 0 156.273 0.969 10 0 ACAERP CC(C)[NH2+]C[C@@](C)(O)[C@H]1CCC[NH2+]1 85077328 572646832 /nfs/dbraw/zinc/64/68/32/572646832.db2.gz LUDLCJCKQQVCBQ-NXEZZACHSA-N 2 0 186.299 0.487 10 0 ACAERP C[C@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1[NH3+] 70144970 572647098 /nfs/dbraw/zinc/64/70/98/572647098.db2.gz UIYGATIFAIKCQV-ONGXEEELSA-N 2 0 198.310 0.835 10 0 ACAERP CC(C)[NH2+]C[C@](C)(O)[C@H]1CCC[NH2+]1 85077324 572647107 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0.478 10 0 ACAERP C[C@@H]1CC[N@H+](C)C[C@@H]([C@H](O)C[NH3+])C1 251814739 572648284 /nfs/dbraw/zinc/64/82/84/572648284.db2.gz ZEFHSIIOCXBNCF-KXUCPTDWSA-N 2 0 186.299 0.284 10 0 ACAERP CCC[NH2+]C[C@](C)(O)[C@@H](C)[NH2+]CC 85076737 572648199 /nfs/dbraw/zinc/64/81/99/572648199.db2.gz IUPOXFWGLBXSRG-ZJUUUORDSA-N 2 0 188.315 0.735 10 0 ACAERP CC[NH2+][C@H](C)[C@@H](O)C1CC[NH2+]CC1 87650290 572648270 /nfs/dbraw/zinc/64/82/70/572648270.db2.gz QEQWNAGEOXSBIY-PSASIEDQSA-N 2 0 186.299 0.345 10 0 ACAERP CC[NH2+]C[C@@](C)(O)[C@H]1CCCC[NH2+]1 85076247 572648280 /nfs/dbraw/zinc/64/82/80/572648280.db2.gz ZAAJLXWUWVAMJY-NXEZZACHSA-N 2 0 186.299 0.489 10 0 ACAERP CCC[NH2+]C[C@@](C)(O)[C@@H](C)[NH2+]CC 85076741 572648320 /nfs/dbraw/zinc/64/83/20/572648320.db2.gz IUPOXFWGLBXSRG-NXEZZACHSA-N 2 0 188.315 0.735 10 0 ACAERP CC[N@@H+]1C[C@@H](C)CN(C)[C@@H](C[NH2+]C)C1 250242333 572648386 /nfs/dbraw/zinc/64/83/86/572648386.db2.gz HMXJVINJVBSKNB-QWRGUYRKSA-N 2 0 199.342 0.478 10 0 ACAERP CCC[NH2+]C[C@@](C)(O)[C@@H]1CCC[NH2+]1 85076620 572648502 /nfs/dbraw/zinc/64/85/02/572648502.db2.gz ONWCZOKRYQITTD-VHSXEESVSA-N 2 0 186.299 0.489 10 0 ACAERP CC[NH2+][C@@H](C)[C@H](O)[C@@H]1CCC[NH2+]C1 87650536 572648553 /nfs/dbraw/zinc/64/85/53/572648553.db2.gz ANGPWHULZZMFMB-AEJSXWLSSA-N 2 0 186.299 0.345 10 0 ACAERP CCC[NH2+]C[C@@](C)(O)[C@H](C)[NH2+]CC 85076747 572648584 /nfs/dbraw/zinc/64/85/84/572648584.db2.gz IUPOXFWGLBXSRG-VHSXEESVSA-N 2 0 188.315 0.735 10 0 ACAERP C[N@@H+]1CCS[C@@H]2CC[C@H]([NH3+])C[C@H]21 250367233 572648623 /nfs/dbraw/zinc/64/86/23/572648623.db2.gz GSIWXCSVUQVWOF-DJLDLDEBSA-N 2 0 186.324 0.913 10 0 ACAERP CN1CC[N@@H+](C2CCC2)C[C@H]1C[NH3+] 250362551 572648649 /nfs/dbraw/zinc/64/86/49/572648649.db2.gz DJSVMSGLBZWILH-SNVBAGLBSA-N 2 0 183.299 0.114 10 0 ACAERP CC(C)[NH2+]C[C@@](C)(O)[C@@H]1CCC[NH2+]1 85077322 572648733 /nfs/dbraw/zinc/64/87/33/572648733.db2.gz LUDLCJCKQQVCBQ-VHSXEESVSA-N 2 0 186.299 0.487 10 0 ACAERP O[C@H]([C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 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CWNUIZYLCRJGHV-NXEZZACHSA-N 2 0 186.299 0.611 10 0 ACAERP C[NH2+][C@H]1COC[C@H]1C[NH2+]C1CCCC1 85382753 572741251 /nfs/dbraw/zinc/74/12/51/572741251.db2.gz HCBFGLAHXBKUSR-KOLCDFICSA-N 2 0 198.310 0.753 10 0 ACAERP CC[N@H+](C[C@@H]1COC[C@@H]1[NH2+]C)C1CC1 85382343 572741306 /nfs/dbraw/zinc/74/13/06/572741306.db2.gz LXIBGPFFTGYTFB-KOLCDFICSA-N 2 0 198.310 0.705 10 0 ACAERP C[NH2+][C@@H]1COC[C@@H]1C[NH2+]C1CCCC1 85382748 572741361 /nfs/dbraw/zinc/74/13/61/572741361.db2.gz HCBFGLAHXBKUSR-GXSJLCMTSA-N 2 0 198.310 0.753 10 0 ACAERP CC[NH2+][C@H]1COC[C@@H]1C[NH2+]C1CC1 85387383 572741369 /nfs/dbraw/zinc/74/13/69/572741369.db2.gz QAZMOBWXZPPJIZ-WPRPVWTQSA-N 2 0 184.283 0.363 10 0 ACAERP CCC[NH2+]C[C@H]1COC[C@@H]1[NH2+]CC 85387347 572741403 /nfs/dbraw/zinc/74/14/03/572741403.db2.gz AAIIGASVRIVVSI-UWVGGRQHSA-N 2 0 186.299 0.611 10 0 ACAERP CC[N@H+](C)C[C@@H]1COC[C@@H]1[NH2+]C 85382338 572741417 /nfs/dbraw/zinc/74/14/17/572741417.db2.gz RPQLWVLQKQICAJ-BDAKNGLRSA-N 2 0 172.272 0.173 10 0 ACAERP CCC[NH2+]C[C@H]1COC[C@H]1[NH2+]C 85382670 572741436 /nfs/dbraw/zinc/74/14/36/572741436.db2.gz LGHJTOBZLHQDHT-DTWKUNHWSA-N 2 0 172.272 0.220 10 0 ACAERP CC[NH2+][C@@H]1COC[C@@H]1C[NH2+]CC1CC1 85387424 572741478 /nfs/dbraw/zinc/74/14/78/572741478.db2.gz QURCPTFJKSYEMV-WDEREUQCSA-N 2 0 198.310 0.611 10 0 ACAERP CCC[NH2+]C[C@]1(C)COC[C@@H]1[NH3+] 85396156 572741518 /nfs/dbraw/zinc/74/15/18/572741518.db2.gz FWBBKYUMMYTTMM-DTWKUNHWSA-N 2 0 172.272 0.350 10 0 ACAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]C1CC1 85390384 572741524 /nfs/dbraw/zinc/74/15/24/572741524.db2.gz ZVAJRYDVUOOEPJ-GXSJLCMTSA-N 2 0 198.310 0.753 10 0 ACAERP CC[NH2+]C[C@H]1COC[C@@H]1[NH2+]CC 85387418 572741555 /nfs/dbraw/zinc/74/15/55/572741555.db2.gz DKXJLNUHJRRUKZ-IUCAKERBSA-N 2 0 172.272 0.220 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]CC(F)F 307899801 572741822 /nfs/dbraw/zinc/74/18/22/572741822.db2.gz MCNCESHBMDWQIX-ZCFIWIBFSA-N 2 0 166.215 0.969 10 0 ACAERP C[C@@H](CCC[NH3+])[NH2+]CC(F)F 307899800 572742125 /nfs/dbraw/zinc/74/21/25/572742125.db2.gz MCNCESHBMDWQIX-LURJTMIESA-N 2 0 166.215 0.969 10 0 ACAERP CO[C@@H]1C[N@H+](C/C=C/C[NH3+])CC[C@H]1C 299904946 572742241 /nfs/dbraw/zinc/74/22/41/572742241.db2.gz FSHMQPOBYMFZBC-YIZUVKHSSA-N 2 0 198.310 0.858 10 0 ACAERP COC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922620 572742375 /nfs/dbraw/zinc/74/23/75/572742375.db2.gz KVQKSLRLDRRBBJ-IVZWLZJFSA-N 2 0 186.299 0.690 10 0 ACAERP C[N@H+](C[C@@H]1CCCO1)[C@@H]1CC[C@@H]1C[NH3+] 87922712 572742478 /nfs/dbraw/zinc/74/24/78/572742478.db2.gz NCFAVADWFQFMIM-OUAUKWLOSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@H]1C[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])CCCO1 87922987 572742928 /nfs/dbraw/zinc/74/29/28/572742928.db2.gz OGKSNFKHSGFXKG-HBNTYKKESA-N 2 0 198.310 0.835 10 0 ACAERP [NH3+]CCC[NH2+]CCOCC(F)F 236200318 572743104 /nfs/dbraw/zinc/74/31/04/572743104.db2.gz UNOWAKGUEMAEHX-UHFFFAOYSA-N 2 0 182.214 0.207 10 0 ACAERP C[C@H]1CC[NH2+]C[C@H]1N(C)CC[NH+](C)C 85439964 572743191 /nfs/dbraw/zinc/74/31/91/572743191.db2.gz YHNRBYRADQTKFA-WDEREUQCSA-N 2 0 199.342 0.478 10 0 ACAERP C[C@@H]1CC[NH2+]C[C@@H]1N(C)CC[NH+](C)C 85439958 572743231 /nfs/dbraw/zinc/74/32/31/572743231.db2.gz YHNRBYRADQTKFA-MNOVXSKESA-N 2 0 199.342 0.478 10 0 ACAERP COCC[N@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922729 572743242 /nfs/dbraw/zinc/74/32/42/572743242.db2.gz KAMMCBPRAFGSFU-KOLCDFICSA-N 2 0 198.310 0.835 10 0 ACAERP CC(=[NH2+])N(C)C[C@@H]1CC[N@H+](C)C1 70823958 572743314 /nfs/dbraw/zinc/74/33/14/572743314.db2.gz FIHBQWKPXMNLBQ-SECBINFHSA-N 2 0 169.272 0.867 10 0 ACAERP C[N@H+](C[C@H]1CCCO1)[C@@H]1CC[C@@H]1C[NH3+] 87922713 572743385 /nfs/dbraw/zinc/74/33/85/572743385.db2.gz NCFAVADWFQFMIM-GMTAPVOTSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@@H]1C[N@H+](C)CCCN1CC1C[NH2+]C1 235333586 572743450 /nfs/dbraw/zinc/74/34/50/572743450.db2.gz XHXBEPLTGDLSIW-SNVBAGLBSA-N 2 0 197.326 0.232 10 0 ACAERP C[C@@H]1CC[NH2+]C[C@H]1N(C)CC[NH+](C)C 85439962 572743561 /nfs/dbraw/zinc/74/35/61/572743561.db2.gz YHNRBYRADQTKFA-GHMZBOCLSA-N 2 0 199.342 0.478 10 0 ACAERP C[C@H]1CN([C@@H]2CC[C@@H]2C[NH3+])CC[N@@H+]1C 87923115 572743886 /nfs/dbraw/zinc/74/38/86/572743886.db2.gz GVNZFKREJGIKPX-HBNTYKKESA-N 2 0 197.326 0.360 10 0 ACAERP CC[N@H+](CCOC)[C@H]1CC[C@@H]1C[NH3+] 87922743 572743901 /nfs/dbraw/zinc/74/39/01/572743901.db2.gz WEKTZCNKWDFCHQ-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH2+]C[C@@H]1CC[N@H+](CCCCO)C1 70800194 572744450 /nfs/dbraw/zinc/74/44/50/572744450.db2.gz KQMNUXISLSJAKH-JTQLQIEISA-N 2 0 186.299 0.300 10 0 ACAERP C[C@H]1CC[NH2+]C[C@@H]1N(C)CC[NH+](C)C 85439960 572744790 /nfs/dbraw/zinc/74/47/90/572744790.db2.gz YHNRBYRADQTKFA-QWRGUYRKSA-N 2 0 199.342 0.478 10 0 ACAERP C[NH2+]C[C@H]1CC[C@H]1[N@H+](C)CCOC 87922911 572744865 /nfs/dbraw/zinc/74/48/65/572744865.db2.gz VQADXPSOABIOHW-NXEZZACHSA-N 2 0 186.299 0.563 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1CC[C@@H]1C[NH3+] 87923164 572745126 /nfs/dbraw/zinc/74/51/26/572745126.db2.gz RAXVVVCDPFVHLV-NXEZZACHSA-N 2 0 185.315 0.217 10 0 ACAERP COCCC[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87923023 572745174 /nfs/dbraw/zinc/74/51/74/572745174.db2.gz QTUNMNCHQYFQGF-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH+](C)[C@H]1CCN([C@@H]2CC[C@@H]2C[NH3+])C1 87923071 572745388 /nfs/dbraw/zinc/74/53/88/572745388.db2.gz XONQMTQMSIMQTC-OUAUKWLOSA-N 2 0 197.326 0.360 10 0 ACAERP COCC[N@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922728 572745606 /nfs/dbraw/zinc/74/56/06/572745606.db2.gz KAMMCBPRAFGSFU-MWLCHTKSSA-N 2 0 198.310 0.835 10 0 ACAERP C[NH2+]C[C@@H]1CC[C@@H]1N(C)CC[NH+](C)C 87923160 572745639 /nfs/dbraw/zinc/74/56/39/572745639.db2.gz JPOSVQFCDWBSNG-QWRGUYRKSA-N 2 0 199.342 0.478 10 0 ACAERP C[NH2+]C[C@@H]1CC[C@H]1[N@H+](C)CCOC 87922910 572745716 /nfs/dbraw/zinc/74/57/16/572745716.db2.gz VQADXPSOABIOHW-VHSXEESVSA-N 2 0 186.299 0.563 10 0 ACAERP COCC[N@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922913 572745758 /nfs/dbraw/zinc/74/57/58/572745758.db2.gz RHGULLNIGGAPHI-BDAKNGLRSA-N 2 0 172.272 0.302 10 0 ACAERP C[NH2+]C[C@H]1CC[C@@H]1[N@H+](C)CCOC 87922909 572746004 /nfs/dbraw/zinc/74/60/04/572746004.db2.gz VQADXPSOABIOHW-ZJUUUORDSA-N 2 0 186.299 0.563 10 0 ACAERP COC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922621 572746029 /nfs/dbraw/zinc/74/60/29/572746029.db2.gz KVQKSLRLDRRBBJ-OPRDCNLKSA-N 2 0 186.299 0.690 10 0 ACAERP CC(=[NH2+])N(C)C[C@H]1CC[N@H+](C)C1 70823961 572746079 /nfs/dbraw/zinc/74/60/79/572746079.db2.gz FIHBQWKPXMNLBQ-VIFPVBQESA-N 2 0 169.272 0.867 10 0 ACAERP CCSCC[NH2+]C[C@@H](C)C[NH3+] 307902088 572746190 /nfs/dbraw/zinc/74/61/90/572746190.db2.gz NXIUZVNDEIHKDI-QMMMGPOBSA-N 2 0 176.329 0.924 10 0 ACAERP CN(CCC[NH+](C)C)[C@H]1CC[C@@H]1C[NH3+] 87923179 572746231 /nfs/dbraw/zinc/74/62/31/572746231.db2.gz LEFVHYOWQPZORR-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP CC[N@H+](CCOC)[C@@H]1CC[C@@H]1C[NH3+] 87922742 572746352 /nfs/dbraw/zinc/74/63/52/572746352.db2.gz WEKTZCNKWDFCHQ-NXEZZACHSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 70800036 572746450 /nfs/dbraw/zinc/74/64/50/572746450.db2.gz NSCZCGZJAUXZCB-AXFHLTTASA-N 2 0 198.310 0.441 10 0 ACAERP CN(CCC[NH+](C)C)[C@@H]1CC[C@@H]1C[NH3+] 87923178 572746623 /nfs/dbraw/zinc/74/66/23/572746623.db2.gz LEFVHYOWQPZORR-GHMZBOCLSA-N 2 0 199.342 0.607 10 0 ACAERP CCSCC[NH2+]C[C@H](C)C[NH3+] 307902087 572746876 /nfs/dbraw/zinc/74/68/76/572746876.db2.gz NXIUZVNDEIHKDI-MRVPVSSYSA-N 2 0 176.329 0.924 10 0 ACAERP C[NH2+]C[C@H]1CC[C@H]1N(C)CC[NH+](C)C 87923163 572747272 /nfs/dbraw/zinc/74/72/72/572747272.db2.gz JPOSVQFCDWBSNG-GHMZBOCLSA-N 2 0 199.342 0.478 10 0 ACAERP C[NH2+]C[C@@H]1CC[C@H]1N(C)CC[NH+](C)C 87923162 572747329 /nfs/dbraw/zinc/74/73/29/572747329.db2.gz JPOSVQFCDWBSNG-WDEREUQCSA-N 2 0 199.342 0.478 10 0 ACAERP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+](C)CCOC 87922908 572747522 /nfs/dbraw/zinc/74/75/22/572747522.db2.gz VQADXPSOABIOHW-UWVGGRQHSA-N 2 0 186.299 0.563 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CC[C@@H]1C[NH3+] 87923165 572747979 /nfs/dbraw/zinc/74/79/79/572747979.db2.gz RAXVVVCDPFVHLV-ZJUUUORDSA-N 2 0 185.315 0.217 10 0 ACAERP COCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922912 572748105 /nfs/dbraw/zinc/74/81/05/572748105.db2.gz RHGULLNIGGAPHI-RKDXNWHRSA-N 2 0 172.272 0.302 10 0 ACAERP [NH3+]CCC[NH2+]CC[C@H]1CCOC1 236200940 572748121 /nfs/dbraw/zinc/74/81/21/572748121.db2.gz MDILIZZYRJFSIV-VIFPVBQESA-N 2 0 172.272 0.351 10 0 ACAERP COCCC[N@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923022 572748145 /nfs/dbraw/zinc/74/81/45/572748145.db2.gz QTUNMNCHQYFQGF-NXEZZACHSA-N 2 0 186.299 0.692 10 0 ACAERP C[NH+](C)CCSCC1C[NH2+]C1 85443756 572748631 /nfs/dbraw/zinc/74/86/31/572748631.db2.gz RTVPUDGGFMJQQX-UHFFFAOYSA-N 2 0 174.313 0.501 10 0 ACAERP C[N@@H+]1CCCC[C@H]1CC[C@@H]([NH3+])C(N)=O 234371318 572748751 /nfs/dbraw/zinc/74/87/51/572748751.db2.gz RAKWBWXLZHPNDM-DTWKUNHWSA-N 2 0 199.298 0.064 10 0 ACAERP C[C@@H]1CN(C2(C[NH3+])CC2)C[C@@H](C)[NH+]1C 235330612 572748924 /nfs/dbraw/zinc/74/89/24/572748924.db2.gz TTYJCBSQGUYFDS-NXEZZACHSA-N 2 0 197.326 0.502 10 0 ACAERP C[C@@H]1CN(C2(C[NH3+])CC2)C[C@@H]1[NH+](C)C 235330775 572749008 /nfs/dbraw/zinc/74/90/08/572749008.db2.gz XALQZPDOWGBZAW-ZJUUUORDSA-N 2 0 197.326 0.360 10 0 ACAERP [NH3+]CCCNC[C@H]1CCCC[NH2+]1 236203887 572749713 /nfs/dbraw/zinc/74/97/13/572749713.db2.gz GSXWXLKKNPSLES-SECBINFHSA-N 2 0 171.288 0.067 10 0 ACAERP COC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923334 572750263 /nfs/dbraw/zinc/75/02/63/572750263.db2.gz UHZAMIDAPUPFMY-GMTAPVOTSA-N 2 0 198.310 0.692 10 0 ACAERP COC[C@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923335 572750672 /nfs/dbraw/zinc/75/06/72/572750672.db2.gz UHZAMIDAPUPFMY-HBNTYKKESA-N 2 0 198.310 0.692 10 0 ACAERP CC[C@](C)(C[NH3+])Nc1[nH+]ccn1C 70895009 572750787 /nfs/dbraw/zinc/75/07/87/572750787.db2.gz PGQCBXMKXPESAY-SECBINFHSA-N 2 0 182.271 0.959 10 0 ACAERP C[C@@H](C(N)=[NH2+])N1CCC([C@@H](C)O)CC1 235247756 572753414 /nfs/dbraw/zinc/75/34/14/572753414.db2.gz GXPXDLFIJMDZJY-JGVFFNPUSA-N 2 0 199.298 0.404 10 0 ACAERP C[C@@H]1C[N@H+](C)CCCN1CCC(N)=[NH2+] 235335928 572751767 /nfs/dbraw/zinc/75/17/67/572751767.db2.gz WYMYXWYDPUYIRH-SECBINFHSA-N 2 0 198.314 0.338 10 0 ACAERP Cc1ccc(N(CC[NH3+])CC[NH3+])cc1 238507761 572751928 /nfs/dbraw/zinc/75/19/28/572751928.db2.gz COSCHSJPPYIZAK-UHFFFAOYSA-N 2 0 193.294 0.719 10 0 ACAERP CC[NH2+][C@@H](C)[C@](C)(O)CCC[NH3+] 308110835 572752422 /nfs/dbraw/zinc/75/24/22/572752422.db2.gz JYCGBLKLNFHYFN-DTWKUNHWSA-N 2 0 174.288 0.474 10 0 ACAERP CC[NH2+][C@H](C)[C@@](C)(O)CCC[NH3+] 308110834 572752874 /nfs/dbraw/zinc/75/28/74/572752874.db2.gz JYCGBLKLNFHYFN-BDAKNGLRSA-N 2 0 174.288 0.474 10 0 ACAERP [NH3+]CCCNC[C@@H]1CCCC[NH2+]1 236202489 572753160 /nfs/dbraw/zinc/75/31/60/572753160.db2.gz GSXWXLKKNPSLES-VIFPVBQESA-N 2 0 171.288 0.067 10 0 ACAERP CC[C@H]([NH3+])[C@H](C)C[C@@H](O)[C@@H]([NH3+])CC 117696025 572753610 /nfs/dbraw/zinc/75/36/10/572753610.db2.gz ZJWOPMGVUJTXCZ-XFWSIPNHSA-N 2 0 188.315 0.848 10 0 ACAERP CC[C@@](C)(C[NH3+])Nc1[nH+]ccn1C 70895002 572753702 /nfs/dbraw/zinc/75/37/02/572753702.db2.gz PGQCBXMKXPESAY-VIFPVBQESA-N 2 0 182.271 0.959 10 0 ACAERP 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162.252 0.921 10 0 ACAERP CC1(C)C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CCO1 85621382 572774637 /nfs/dbraw/zinc/77/46/37/572774637.db2.gz CEXXARWBBASFQC-ZJUUUORDSA-N 2 0 198.310 0.753 10 0 ACAERP CCCC[N@H+](C)CC[C@@H](O)C[NH2+]C 308126938 572774643 /nfs/dbraw/zinc/77/46/43/572774643.db2.gz FAPQTGRSHXQHII-SNVBAGLBSA-N 2 0 188.315 0.689 10 0 ACAERP CC[C@H](O)C[NH2+][C@H](C)CCC[NH3+] 308127185 572774697 /nfs/dbraw/zinc/77/46/97/572774697.db2.gz VUMFYMQOWUSEJH-BDAKNGLRSA-N 2 0 174.288 0.474 10 0 ACAERP CCCC[N@H+](C)CC[C@H](O)C[NH2+]C 308126937 572774789 /nfs/dbraw/zinc/77/47/89/572774789.db2.gz FAPQTGRSHXQHII-JTQLQIEISA-N 2 0 188.315 0.689 10 0 ACAERP CC1(C)C[C@H]1[NH2+]CC[C@@H]1C[NH2+]CCO1 85621385 572774814 /nfs/dbraw/zinc/77/48/14/572774814.db2.gz CEXXARWBBASFQC-NXEZZACHSA-N 2 0 198.310 0.753 10 0 ACAERP C(C[C@H]1C[NH2+]CCO1)[NH2+]CC1CC1 85621143 572774942 /nfs/dbraw/zinc/77/49/42/572774942.db2.gz QMCNYCGBDSLFFL-JTQLQIEISA-N 2 0 184.283 0.365 10 0 ACAERP C[C@@]1(C[NH2+]CCCF)COC[C@@H]1[NH3+] 308127166 572774945 /nfs/dbraw/zinc/77/49/45/572774945.db2.gz BPDAZARAWQUIJI-DTWKUNHWSA-N 2 0 190.262 0.299 10 0 ACAERP CC[C@@H](O)C[NH2+][C@@H](C)CCC[NH3+] 308127198 572774952 /nfs/dbraw/zinc/77/49/52/572774952.db2.gz VUMFYMQOWUSEJH-DTWKUNHWSA-N 2 0 174.288 0.474 10 0 ACAERP CC(C)[N@H+](C)CC[C@@H]1C[NH2+]CCO1 85620701 572775076 /nfs/dbraw/zinc/77/50/76/572775076.db2.gz OUUZAZBXRMAOMK-SNVBAGLBSA-N 2 0 186.299 0.705 10 0 ACAERP C[C@@]1(C[NH2+]CCCF)COC[C@H]1[NH3+] 308127169 572775084 /nfs/dbraw/zinc/77/50/84/572775084.db2.gz BPDAZARAWQUIJI-RKDXNWHRSA-N 2 0 190.262 0.299 10 0 ACAERP CC[NH+](CC)CC[C@H]1C[NH2+]CCO1 85620605 572775093 /nfs/dbraw/zinc/77/50/93/572775093.db2.gz BORGYSGAJWNPDS-JTQLQIEISA-N 2 0 186.299 0.707 10 0 ACAERP CCC[C@@H](C[NH3+])C[NH2+]CCF 307926839 572775102 /nfs/dbraw/zinc/77/51/02/572775102.db2.gz RUNAZQVKUHLTIC-QMMMGPOBSA-N 2 0 162.252 0.921 10 0 ACAERP C1CO[C@@H](CC[NH2+]C2CC2)C[NH2+]1 85621112 572775193 /nfs/dbraw/zinc/77/51/93/572775193.db2.gz SXKBKXWDVOGVBD-VIFPVBQESA-N 2 0 170.256 0.117 10 0 ACAERP CC[N@H+](C)CC[C@@H]1C[NH2+]CCO1 85620761 572775271 /nfs/dbraw/zinc/77/52/71/572775271.db2.gz DMSDOLQAFDNMKJ-SECBINFHSA-N 2 0 172.272 0.317 10 0 ACAERP C1CCC([NH2+]CC[C@@H]2C[NH2+]CCO2)C1 85621120 572775289 /nfs/dbraw/zinc/77/52/89/572775289.db2.gz JPWDYKFQRRUDND-LLVKDONJSA-N 2 0 198.310 0.897 10 0 ACAERP CC[N@H+](CC[C@@H]1C[NH2+]CCO1)C1CC1 85620769 572775348 /nfs/dbraw/zinc/77/53/48/572775348.db2.gz GDCRDHGZICNVKJ-LLVKDONJSA-N 2 0 198.310 0.849 10 0 ACAERP CC[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]CCO1 85621096 572775387 /nfs/dbraw/zinc/77/53/87/572775387.db2.gz AAGDMFQOXMZXSG-NXEZZACHSA-N 2 0 186.299 0.753 10 0 ACAERP CCC[N@H+](C)CC[C@H]1C[NH2+]CCO1 85620833 572775438 /nfs/dbraw/zinc/77/54/38/572775438.db2.gz QQBGAWGJRUWPJA-JTQLQIEISA-N 2 0 186.299 0.707 10 0 ACAERP CC[N@H+](C)CCC[NH+](C)[C@H](C)CO 308117616 572775540 /nfs/dbraw/zinc/77/55/40/572775540.db2.gz CEJUDLVWAZXMGL-SNVBAGLBSA-N 2 0 188.315 0.641 10 0 ACAERP C(CC1CC1)[NH2+]CC[C@@H]1C[NH2+]CCO1 85621693 572775642 /nfs/dbraw/zinc/77/56/42/572775642.db2.gz VBMLQLWFLMGZRH-LLVKDONJSA-N 2 0 198.310 0.755 10 0 ACAERP CCCC[NH2+]CC[C@H]1C[NH2+]CCO1 85621153 572775727 /nfs/dbraw/zinc/77/57/27/572775727.db2.gz YWQDUEZHPSOIIU-JTQLQIEISA-N 2 0 186.299 0.755 10 0 ACAERP CC(C)[N@H+](C)CC[C@H]1C[NH2+]CCO1 85620704 572776870 /nfs/dbraw/zinc/77/68/70/572776870.db2.gz OUUZAZBXRMAOMK-JTQLQIEISA-N 2 0 186.299 0.705 10 0 ACAERP C(C[C@@H]1C[NH2+]CCO1)[NH2+]CC1CC1 85621139 572775787 /nfs/dbraw/zinc/77/57/87/572775787.db2.gz QMCNYCGBDSLFFL-SNVBAGLBSA-N 2 0 184.283 0.365 10 0 ACAERP C[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C 308118378 572775791 /nfs/dbraw/zinc/77/57/91/572775791.db2.gz BHVSSXLUYXBCLB-UTLUCORTSA-N 2 0 186.299 0.345 10 0 ACAERP C[C@H](O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C 308118375 572775879 /nfs/dbraw/zinc/77/58/79/572775879.db2.gz BHVSSXLUYXBCLB-GUBZILKMSA-N 2 0 186.299 0.345 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)[C@H](C)CO 308118634 572775922 /nfs/dbraw/zinc/77/59/22/572775922.db2.gz NPLCBSJFSROHBP-XGEHTFHBSA-N 2 0 174.288 0.329 10 0 ACAERP CC[NH+](CC)CC[C@@H]1C[NH2+]CCO1 85620602 572775952 /nfs/dbraw/zinc/77/59/52/572775952.db2.gz BORGYSGAJWNPDS-SNVBAGLBSA-N 2 0 186.299 0.707 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](C)[C@@H](C)CO 308118631 572775953 /nfs/dbraw/zinc/77/59/53/572775953.db2.gz NPLCBSJFSROHBP-MAUMQABQSA-N 2 0 174.288 0.329 10 0 ACAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)CC1CC1 85621026 572776076 /nfs/dbraw/zinc/77/60/76/572776076.db2.gz CJFWCGWWUYOUIM-NSHDSACASA-N 2 0 198.310 0.707 10 0 ACAERP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CO 307927389 572776096 /nfs/dbraw/zinc/77/60/96/572776096.db2.gz QKAGJIROUVYQFW-BDAKNGLRSA-N 2 0 172.272 0.180 10 0 ACAERP C1CC([NH2+]CC[C@H]2C[NH2+]CCO2)C1 85621434 572776112 /nfs/dbraw/zinc/77/61/12/572776112.db2.gz MXBOFXUUBADLIQ-JTQLQIEISA-N 2 0 184.283 0.507 10 0 ACAERP C[C@@](O)(CCC[NH3+])[C@@H]1CCC[NH2+]1 308118203 572776113 /nfs/dbraw/zinc/77/61/13/572776113.db2.gz NIOKZNJAKMBKLL-DTWKUNHWSA-N 2 0 172.272 0.228 10 0 ACAERP COC1CC([NH2+][C@H](C)[C@@H](C)[NH3+])C1 308117568 572776120 /nfs/dbraw/zinc/77/61/20/572776120.db2.gz NGKJRXWNMGFECR-PZYMCFGQSA-N 2 0 172.272 0.489 10 0 ACAERP CC(C)(C)[NH2+]CC[C@H]1C[NH2+]CCO1 85621078 572776144 /nfs/dbraw/zinc/77/61/44/572776144.db2.gz ZMRTVEFOIYKNNP-VIFPVBQESA-N 2 0 186.299 0.753 10 0 ACAERP CCO[C@H](C)C[NH2+]CC(C)(C)[NH3+] 308117557 572776156 /nfs/dbraw/zinc/77/61/56/572776156.db2.gz NFZATDPSJHWBRA-MRVPVSSYSA-N 2 0 174.288 0.738 10 0 ACAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)CC1CC1 85621021 572776199 /nfs/dbraw/zinc/77/61/99/572776199.db2.gz CJFWCGWWUYOUIM-LLVKDONJSA-N 2 0 198.310 0.707 10 0 ACAERP CC[C@@H](C)[NH2+]CC[C@H]1C[NH2+]CCO1 85621103 572776295 /nfs/dbraw/zinc/77/62/95/572776295.db2.gz AAGDMFQOXMZXSG-ZJUUUORDSA-N 2 0 186.299 0.753 10 0 ACAERP CC(C)[NH2+]CC[C@@H]1C[NH2+]CCO1 85621080 572776362 /nfs/dbraw/zinc/77/63/62/572776362.db2.gz QQJVVLQLWZUHIT-SECBINFHSA-N 2 0 172.272 0.363 10 0 ACAERP CC[C@@H]1CCC[N@@H+]1C[C@H](O)CC[NH3+] 308117956 572776372 /nfs/dbraw/zinc/77/63/72/572776372.db2.gz ATPVOAWYUDKTLQ-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP CC1(C)C[C@H]1[NH2+]CC[C@H]1C[NH2+]CCO1 85621391 572776409 /nfs/dbraw/zinc/77/64/09/572776409.db2.gz CEXXARWBBASFQC-VHSXEESVSA-N 2 0 198.310 0.753 10 0 ACAERP CCCC[NH2+]CC[C@@H]1C[NH2+]CCO1 85621149 572776420 /nfs/dbraw/zinc/77/64/20/572776420.db2.gz YWQDUEZHPSOIIU-SNVBAGLBSA-N 2 0 186.299 0.755 10 0 ACAERP C[C@@H]1C[C@H]1[NH2+]CC[C@@H]1C[NH2+]CCO1 85621444 572776468 /nfs/dbraw/zinc/77/64/68/572776468.db2.gz RGQMJGBIGOBATM-OPRDCNLKSA-N 2 0 184.283 0.363 10 0 ACAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)C1CC1 85620779 572776540 /nfs/dbraw/zinc/77/65/40/572776540.db2.gz BCIGTQROAYGCNK-JTQLQIEISA-N 2 0 184.283 0.459 10 0 ACAERP CC1(C)C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CCO1 85621387 572776627 /nfs/dbraw/zinc/77/66/27/572776627.db2.gz CEXXARWBBASFQC-UWVGGRQHSA-N 2 0 198.310 0.753 10 0 ACAERP CCC[NH2+]CC[C@H]1C[NH2+]CCO1 85621070 572776776 /nfs/dbraw/zinc/77/67/76/572776776.db2.gz UQBXLVRHZWAXKB-VIFPVBQESA-N 2 0 172.272 0.365 10 0 ACAERP C[NH2+]C[C@H](O)CC[N@@H+]1CC[C@H](C)C1 308118417 572776828 /nfs/dbraw/zinc/77/68/28/572776828.db2.gz BMFHREDZLHUHSJ-VHSXEESVSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@H]1C[N@@H+]([C@@H]2CCCOC2)CC[C@@H]1[NH3+] 71014039 572777124 /nfs/dbraw/zinc/77/71/24/572777124.db2.gz MJFUMNHAWIKANY-AXFHLTTASA-N 2 0 198.310 0.835 10 0 ACAERP CCO[C@@H](C)C[NH2+]CC(C)(C)[NH3+] 308117558 572777141 /nfs/dbraw/zinc/77/71/41/572777141.db2.gz NFZATDPSJHWBRA-QMMMGPOBSA-N 2 0 174.288 0.738 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO 308118630 572777717 /nfs/dbraw/zinc/77/77/17/572777717.db2.gz NPLCBSJFSROHBP-JBDRJPRFSA-N 2 0 174.288 0.329 10 0 ACAERP COC1CC([NH2+][C@H](C)[C@H](C)[NH3+])C1 308117567 572777403 /nfs/dbraw/zinc/77/74/03/572777403.db2.gz NGKJRXWNMGFECR-MZUZGICHSA-N 2 0 172.272 0.489 10 0 ACAERP C1C[C@@H]2[C@@H](N3CC[NH2+]CC3)CC[N@@H+]2C1 49568641 572777453 /nfs/dbraw/zinc/77/74/53/572777453.db2.gz VATCCNVBNKWLFW-MNOVXSKESA-N 2 0 195.310 0.128 10 0 ACAERP COCC1([NH2+]CC2(C[NH3+])CC2)CCC1 393483811 572777521 /nfs/dbraw/zinc/77/75/21/572777521.db2.gz LOHQVQIJAHNVRS-UHFFFAOYSA-N 2 0 198.310 0.884 10 0 ACAERP C[C@H](O)CCC[NH2+]C[C@@H](C)C[NH3+] 307929967 572777572 /nfs/dbraw/zinc/77/75/72/572777572.db2.gz BMSKHPHYLCGBQR-IUCAKERBSA-N 2 0 174.288 0.332 10 0 ACAERP C[C@@](O)(CCC[NH3+])[C@H]1CCC[NH2+]1 308118221 572778163 /nfs/dbraw/zinc/77/81/63/572778163.db2.gz NIOKZNJAKMBKLL-RKDXNWHRSA-N 2 0 172.272 0.228 10 0 ACAERP C[C@H](O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 308118377 572778188 /nfs/dbraw/zinc/77/81/88/572778188.db2.gz BHVSSXLUYXBCLB-LPEHRKFASA-N 2 0 186.299 0.345 10 0 ACAERP C[C@H](O)CCC[NH2+]C[C@H](C)C[NH3+] 307929965 572778190 /nfs/dbraw/zinc/77/81/90/572778190.db2.gz BMSKHPHYLCGBQR-BDAKNGLRSA-N 2 0 174.288 0.332 10 0 ACAERP CC[N@H+](C)CCCOCCC[NH3+] 308118309 572778313 /nfs/dbraw/zinc/77/83/13/572778313.db2.gz NKKRCMNPUIHMBP-UHFFFAOYSA-N 2 0 174.288 0.694 10 0 ACAERP C[C@](O)(CCC[NH3+])[C@@H]1CCC[NH2+]1 308118212 572778358 /nfs/dbraw/zinc/77/83/58/572778358.db2.gz NIOKZNJAKMBKLL-IUCAKERBSA-N 2 0 172.272 0.228 10 0 ACAERP OCC[NH2+][C@H]1CCN2CCCC[C@@H]12 49564826 572778383 /nfs/dbraw/zinc/77/83/83/572778383.db2.gz XDEUBEVHDYAXHZ-UWVGGRQHSA-N 2 0 184.283 0.195 10 0 ACAERP COC1CC([NH2+][C@@H](C)[C@H](C)[NH3+])C1 308117566 572778399 /nfs/dbraw/zinc/77/83/99/572778399.db2.gz NGKJRXWNMGFECR-MSIFESELSA-N 2 0 172.272 0.489 10 0 ACAERP C[NH2+]C[C@H](O)CC[N@@H+]1CC[C@@H](C)C1 308118415 572778428 /nfs/dbraw/zinc/77/84/28/572778428.db2.gz BMFHREDZLHUHSJ-NXEZZACHSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@H](O)C[NH2+][C@@H]1CCN2CCC[C@H]12 49567839 572778432 /nfs/dbraw/zinc/77/84/32/572778432.db2.gz UWTFAZPFPSILCU-IVZWLZJFSA-N 2 0 184.283 0.194 10 0 ACAERP C[NH2+]C[C@@H](O)CC[N@@H+]1CC[C@H](C)C1 308118416 572778436 /nfs/dbraw/zinc/77/84/36/572778436.db2.gz BMFHREDZLHUHSJ-UWVGGRQHSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+]CCC[C@@H](C)O 307929966 572778465 /nfs/dbraw/zinc/77/84/65/572778465.db2.gz BMSKHPHYLCGBQR-DTWKUNHWSA-N 2 0 174.288 0.332 10 0 ACAERP CC[C@H]1CCC[N@@H+]1C[C@H](O)CC[NH3+] 308117958 572778467 /nfs/dbraw/zinc/77/84/67/572778467.db2.gz ATPVOAWYUDKTLQ-VHSXEESVSA-N 2 0 186.299 0.571 10 0 ACAERP C1C[C@@H]2[C@H](N3CC[NH2+]CC3)CC[N@@H+]2C1 49568638 572778510 /nfs/dbraw/zinc/77/85/10/572778510.db2.gz VATCCNVBNKWLFW-GHMZBOCLSA-N 2 0 195.310 0.128 10 0 ACAERP OCC[NH2+][C@@H]1CCN2CCCC[C@@H]12 49564827 572778603 /nfs/dbraw/zinc/77/86/03/572778603.db2.gz XDEUBEVHDYAXHZ-ZJUUUORDSA-N 2 0 184.283 0.195 10 0 ACAERP C[C@@H](CCCO)[NH2+][C@H](C)CCC[NH3+] 308117930 572778613 /nfs/dbraw/zinc/77/86/13/572778613.db2.gz APRFLYROQMHQAA-ZJUUUORDSA-N 2 0 188.315 0.864 10 0 ACAERP CC[C@H](O)C[NH2+][C@@H](C)CCCC[NH3+] 308117937 572778621 /nfs/dbraw/zinc/77/86/21/572778621.db2.gz ARJSOLFOKFOVRX-UWVGGRQHSA-N 2 0 188.315 0.864 10 0 ACAERP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)CC[NH3+] 308117959 572778623 /nfs/dbraw/zinc/77/86/23/572778623.db2.gz ATPVOAWYUDKTLQ-ZJUUUORDSA-N 2 0 186.299 0.571 10 0 ACAERP CC[C@H]1CCC[N@@H+]1C[C@@H](O)CC[NH3+] 308117957 572778636 /nfs/dbraw/zinc/77/86/36/572778636.db2.gz ATPVOAWYUDKTLQ-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP CC(C)[N@H+](C)C[C@@H](O)CN(C)C 307930127 572778811 /nfs/dbraw/zinc/77/88/11/572778811.db2.gz WCBJSSCQESEAJE-VIFPVBQESA-N 2 0 174.288 0.249 10 0 ACAERP C[C@H](C[NH3+])CSCC1C[NH2+]C1 307929668 572778930 /nfs/dbraw/zinc/77/89/30/572778930.db2.gz USMXIFIEDIVPJT-SSDOTTSWSA-N 2 0 174.313 0.534 10 0 ACAERP C[C@@H](O)CCC[NH2+]C[C@H](C)C[NH3+] 307929968 572779435 /nfs/dbraw/zinc/77/94/35/572779435.db2.gz BMSKHPHYLCGBQR-RKDXNWHRSA-N 2 0 174.288 0.332 10 0 ACAERP OC1CC(C[NH2+]C[C@H]2CCC[NH2+]2)C1 236477521 572779517 /nfs/dbraw/zinc/77/95/17/572779517.db2.gz YTHMXLZVWFJIBR-HWOCKDDLSA-N 2 0 184.283 0.099 10 0 ACAERP CC(C)(O)C[NH2+][C@@H]1CCN2CCC[C@H]12 49567877 572779574 /nfs/dbraw/zinc/77/95/74/572779574.db2.gz FBFTYDDMIYDPBD-NXEZZACHSA-N 2 0 198.310 0.584 10 0 ACAERP C[NH2+]C[C@H](O)CC[N@H+](C)CC1CC1 308119271 572779737 /nfs/dbraw/zinc/77/97/37/572779737.db2.gz CDVDAHKMPKKLRV-SNVBAGLBSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@@H](C[NH3+])CSCC1C[NH2+]C1 307929669 572779746 /nfs/dbraw/zinc/77/97/46/572779746.db2.gz USMXIFIEDIVPJT-ZETCQYMHSA-N 2 0 174.313 0.534 10 0 ACAERP C[C@@H](O)C[NH2+][C@H]1CCN2CCC[C@H]12 49567844 572779758 /nfs/dbraw/zinc/77/97/58/572779758.db2.gz UWTFAZPFPSILCU-KXUCPTDWSA-N 2 0 184.283 0.194 10 0 ACAERP C1C[C@H]2[C@@H](N3CC[NH2+]CC3)CC[N@@H+]2C1 49568642 572779872 /nfs/dbraw/zinc/77/98/72/572779872.db2.gz VATCCNVBNKWLFW-QWRGUYRKSA-N 2 0 195.310 0.128 10 0 ACAERP C[NH2+]CCO[C@H](C)C[NH+](C)C 307929690 572780064 /nfs/dbraw/zinc/78/00/64/572780064.db2.gz UWQKCEWJZUINJT-MRVPVSSYSA-N 2 0 160.261 0.173 10 0 ACAERP CC(C)[N@H+](C)C[C@H](O)CN(C)C 307930122 572780317 /nfs/dbraw/zinc/78/03/17/572780317.db2.gz WCBJSSCQESEAJE-SECBINFHSA-N 2 0 174.288 0.249 10 0 ACAERP C[C@@H](O)C[NH2+][C@@H]1CCN2CCC[C@H]12 49567841 572780479 /nfs/dbraw/zinc/78/04/79/572780479.db2.gz UWTFAZPFPSILCU-OPRDCNLKSA-N 2 0 184.283 0.194 10 0 ACAERP C[C@@H](CCC[NH3+])[NH2+]Cc1cnc[nH]1 308119329 572780626 /nfs/dbraw/zinc/78/06/26/572780626.db2.gz CGGZOZLRCJFSIM-QMMMGPOBSA-N 3 0 182.271 0.627 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]Cc1cnc[nH]1 308119327 572781073 /nfs/dbraw/zinc/78/10/73/572781073.db2.gz CGGZOZLRCJFSIM-MRVPVSSYSA-N 3 0 182.271 0.627 10 0 ACAERP C[C@@H](C[NH+]1CCCC1)NCC[NH3+] 308119138 572781188 /nfs/dbraw/zinc/78/11/88/572781188.db2.gz OBARSQGGQMEFCZ-VIFPVBQESA-N 2 0 171.288 0.019 10 0 ACAERP C[NH2+]C[C@@H](O)CC[N@H+](C)CC1CC1 308119269 572781224 /nfs/dbraw/zinc/78/12/24/572781224.db2.gz CDVDAHKMPKKLRV-JTQLQIEISA-N 2 0 186.299 0.299 10 0 ACAERP CC[C@H](C)[N@H+](C)CC[C@@H](O)C[NH2+]C 308128787 572782938 /nfs/dbraw/zinc/78/29/38/572782938.db2.gz GOATTZXEKJHJEJ-VHSXEESVSA-N 2 0 188.315 0.687 10 0 ACAERP C[C@H](C[NH+]1CCCC1)NCC[NH3+] 308119137 572781335 /nfs/dbraw/zinc/78/13/35/572781335.db2.gz OBARSQGGQMEFCZ-SECBINFHSA-N 2 0 171.288 0.019 10 0 ACAERP CC[C@@H](O)C[NH2+]CCC(C)(C)[NH3+] 308120188 572781343 /nfs/dbraw/zinc/78/13/43/572781343.db2.gz ORQLRPIUDCEDLV-MRVPVSSYSA-N 2 0 174.288 0.474 10 0 ACAERP C[C@H](O)C[NH2+][C@H]1CCN2CCC[C@H]12 49567842 572781562 /nfs/dbraw/zinc/78/15/62/572781562.db2.gz UWTFAZPFPSILCU-LPEHRKFASA-N 2 0 184.283 0.194 10 0 ACAERP C1C[C@H]2[C@H](N3CC[NH2+]CC3)CC[N@@H+]2C1 49568639 572781772 /nfs/dbraw/zinc/78/17/72/572781772.db2.gz VATCCNVBNKWLFW-WDEREUQCSA-N 2 0 195.310 0.128 10 0 ACAERP CC[C@H](O)C[NH2+]CCC(C)(C)[NH3+] 308120189 572781922 /nfs/dbraw/zinc/78/19/22/572781922.db2.gz ORQLRPIUDCEDLV-QMMMGPOBSA-N 2 0 174.288 0.474 10 0 ACAERP CC[C@H](C)[N@H+](C)CC[C@H](O)C[NH2+]C 308128786 572782502 /nfs/dbraw/zinc/78/25/02/572782502.db2.gz GOATTZXEKJHJEJ-UWVGGRQHSA-N 2 0 188.315 0.687 10 0 ACAERP C[C@@H](CO)[N@H+](C)[C@H](C)CCCC[NH3+] 308128817 572782661 /nfs/dbraw/zinc/78/26/61/572782661.db2.gz GQZSFZOXEPOYNH-ZJUUUORDSA-N 2 0 188.315 0.817 10 0 ACAERP C[NH2+]C[C@@H](O)CC[N@H+](C)CC(C)C 308128718 572782747 /nfs/dbraw/zinc/78/27/47/572782747.db2.gz GGFFQJOWBOCABI-JTQLQIEISA-N 2 0 188.315 0.545 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]Cc1cn[nH]c1 308128990 572782973 /nfs/dbraw/zinc/78/29/73/572782973.db2.gz GWYMGOUGDFJCDU-MRVPVSSYSA-N 2 0 182.271 0.627 10 0 ACAERP C[NH2+]C[C@H](O)CC[N@H+](C)CC(C)C 308128719 572783038 /nfs/dbraw/zinc/78/30/38/572783038.db2.gz GGFFQJOWBOCABI-SNVBAGLBSA-N 2 0 188.315 0.545 10 0 ACAERP CCSCC[NH2+]C1CC([NH3+])C1 307932567 572783127 /nfs/dbraw/zinc/78/31/27/572783127.db2.gz WFLDABJASITHNX-UHFFFAOYSA-N 2 0 174.313 0.819 10 0 ACAERP C=COCCC[NH2+][C@@H](C)[C@H](C)[NH3+] 308129212 572783139 /nfs/dbraw/zinc/78/31/39/572783139.db2.gz WQXNHHXEGAEFSL-IUCAKERBSA-N 2 0 172.272 0.862 10 0 ACAERP C[C@@H](CO)[N@H+](C)[C@@H](C)CCCC[NH3+] 308128815 572783271 /nfs/dbraw/zinc/78/32/71/572783271.db2.gz GQZSFZOXEPOYNH-UWVGGRQHSA-N 2 0 188.315 0.817 10 0 ACAERP C[NH+](C)CCCCC(N)=[NH2+] 49579678 572783511 /nfs/dbraw/zinc/78/35/11/572783511.db2.gz OIFGFDAUWFHJKT-UHFFFAOYSA-N 2 0 143.234 0.654 10 0 ACAERP CC[C@@H](C)[N@H+](C)CC[C@@H](O)C[NH2+]C 308128785 572783792 /nfs/dbraw/zinc/78/37/92/572783792.db2.gz GOATTZXEKJHJEJ-NXEZZACHSA-N 2 0 188.315 0.687 10 0 ACAERP C[C@H](CO)[N@H+](C)[C@H](C)CCCC[NH3+] 308128814 572784389 /nfs/dbraw/zinc/78/43/89/572784389.db2.gz GQZSFZOXEPOYNH-NXEZZACHSA-N 2 0 188.315 0.817 10 0 ACAERP OC1(CNC[C@@H]2CCC[NH2+]2)CCC1 236487209 572784703 /nfs/dbraw/zinc/78/47/03/572784703.db2.gz ISHRRPUXBPTSOV-VIFPVBQESA-N 2 0 184.283 0.243 10 0 ACAERP C[C@@H](CCCC[NH3+])[N@@H+](C)[C@H](C)CO 308128816 572785147 /nfs/dbraw/zinc/78/51/47/572785147.db2.gz GQZSFZOXEPOYNH-VHSXEESVSA-N 2 0 188.315 0.817 10 0 ACAERP CC[C@@H](C)[N@H+](C)CC[C@H](O)C[NH2+]C 308128788 572784781 /nfs/dbraw/zinc/78/47/81/572784781.db2.gz GOATTZXEKJHJEJ-ZJUUUORDSA-N 2 0 188.315 0.687 10 0 ACAERP FCCC[NH2+]CC[C@H]1C[NH2+]CCO1 308128633 572784827 /nfs/dbraw/zinc/78/48/27/572784827.db2.gz CJEFWXRSDMQOPS-VIFPVBQESA-N 2 0 190.262 0.314 10 0 ACAERP C[N@H+](CCO)CCCCC[NH3+] 49580746 572784898 /nfs/dbraw/zinc/78/48/98/572784898.db2.gz CJQOIJVIJRYLRK-UHFFFAOYSA-N 2 0 160.261 0.040 10 0 ACAERP FCCC[NH2+]CC[C@@H]1C[NH2+]CCO1 308128632 572785303 /nfs/dbraw/zinc/78/53/03/572785303.db2.gz CJEFWXRSDMQOPS-SECBINFHSA-N 2 0 190.262 0.314 10 0 ACAERP COC[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 308120573 572785384 /nfs/dbraw/zinc/78/53/84/572785384.db2.gz PHJBDTGUNQHCDC-MRVPVSSYSA-N 2 0 174.288 0.738 10 0 ACAERP C[C@@H]([NH3+])CN(C)CC1(O)CCCC1 308129877 572785780 /nfs/dbraw/zinc/78/57/80/572785780.db2.gz DBRWVYIVPTWCNU-SECBINFHSA-N 2 0 186.299 0.571 10 0 ACAERP C[C@H]([NH3+])CN(C)CC1(O)CCCC1 308129878 572785820 /nfs/dbraw/zinc/78/58/20/572785820.db2.gz DBRWVYIVPTWCNU-VIFPVBQESA-N 2 0 186.299 0.571 10 0 ACAERP [NH3+][C@@H](C[NH2+]CCCF)CC(F)F 308131484 572786270 /nfs/dbraw/zinc/78/62/70/572786270.db2.gz XSYYWPRPZGIERE-ZCFIWIBFSA-N 2 0 184.205 0.918 10 0 ACAERP C[NH+](C)CCC([NH3+])CC[NH+](C)C 141597955 572786275 /nfs/dbraw/zinc/78/62/75/572786275.db2.gz NEODHDNZCYQDEI-UHFFFAOYSA-N 3 0 173.304 0.217 10 0 ACAERP C[C@@H](CCCO)[NH2+]C[C@H](C)C[NH3+] 308131463 572786281 /nfs/dbraw/zinc/78/62/81/572786281.db2.gz XSNFXTJRLMGPIL-BDAKNGLRSA-N 2 0 174.288 0.332 10 0 ACAERP C[N@H+](CCCOCC[NH3+])C1CCC1 308131480 572786367 /nfs/dbraw/zinc/78/63/67/572786367.db2.gz FANWPOPRXTZUQG-UHFFFAOYSA-N 2 0 186.299 0.836 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+][C@H](C)CCCO 308131465 572786394 /nfs/dbraw/zinc/78/63/94/572786394.db2.gz XSNFXTJRLMGPIL-DTWKUNHWSA-N 2 0 174.288 0.332 10 0 ACAERP OC1(CNC[C@H]2CCC[NH2+]2)CCCC1 236487425 572786741 /nfs/dbraw/zinc/78/67/41/572786741.db2.gz YVZVDNFJAFHING-SNVBAGLBSA-N 2 0 198.310 0.633 10 0 ACAERP [NH3+]Cc1cn(CC[NH+]2CCCC2)cn1 236225152 572786786 /nfs/dbraw/zinc/78/67/86/572786786.db2.gz MCBNSUIOQJETMD-UHFFFAOYSA-N 2 0 194.282 0.438 10 0 ACAERP [NH3+]CC1CC[NH+](CC(=O)C2CC2)CC1 238548266 572787082 /nfs/dbraw/zinc/78/70/82/572787082.db2.gz CFSZVAWLSIZIOR-UHFFFAOYSA-N 2 0 196.294 0.636 10 0 ACAERP OC1(CNC[C@H]2CCC[NH2+]2)CCC1 236487416 572787309 /nfs/dbraw/zinc/78/73/09/572787309.db2.gz ISHRRPUXBPTSOV-SECBINFHSA-N 2 0 184.283 0.243 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+][C@@H](C)CCCO 308131467 572787464 /nfs/dbraw/zinc/78/74/64/572787464.db2.gz XSNFXTJRLMGPIL-IUCAKERBSA-N 2 0 174.288 0.332 10 0 ACAERP OC1(CNC[C@@H]2CCC[NH2+]2)CCCC1 236487218 572787629 /nfs/dbraw/zinc/78/76/29/572787629.db2.gz YVZVDNFJAFHING-JTQLQIEISA-N 2 0 198.310 0.633 10 0 ACAERP CO[C@H](C[NH3+])CC[NH2+][C@H]1CC[C@H]1C 308130826 572787899 /nfs/dbraw/zinc/78/78/99/572787899.db2.gz DQFXBGHMNCKSIO-UTLUCORTSA-N 2 0 186.299 0.738 10 0 ACAERP [NH3+][C@H](C[NH2+]CCCF)CC(F)F 308131481 572788197 /nfs/dbraw/zinc/78/81/97/572788197.db2.gz XSYYWPRPZGIERE-LURJTMIESA-N 2 0 184.205 0.918 10 0 ACAERP CO[C@H](C[NH3+])CC[NH2+][C@@H]1CC[C@@H]1C 308130825 572788222 /nfs/dbraw/zinc/78/82/22/572788222.db2.gz DQFXBGHMNCKSIO-LPEHRKFASA-N 2 0 186.299 0.738 10 0 ACAERP CO[C@H](C[NH3+])CC[NH2+][C@H]1CC[C@@H]1C 308130822 572788422 /nfs/dbraw/zinc/78/84/22/572788422.db2.gz DQFXBGHMNCKSIO-GUBZILKMSA-N 2 0 186.299 0.738 10 0 ACAERP CO[C@H](C[NH3+])CC[NH2+][C@@H]1CC[C@H]1C 308130824 572788774 /nfs/dbraw/zinc/78/87/74/572788774.db2.gz DQFXBGHMNCKSIO-KXUCPTDWSA-N 2 0 186.299 0.738 10 0 ACAERP OCCCC[NH2+]C[C@H]1CCC[NH2+]C1 236498721 572788894 /nfs/dbraw/zinc/78/88/94/572788894.db2.gz CVXOHGAPKSQGAA-SNVBAGLBSA-N 2 0 186.299 0.348 10 0 ACAERP CO[C@H]1CCN(C2(C[NH3+])CCC2)C1 234844133 572789789 /nfs/dbraw/zinc/78/97/89/572789789.db2.gz RYCUXMYFDWBWSS-VIFPVBQESA-N 2 0 184.283 0.589 10 0 ACAERP C[C@@H](OCC[NH+]1CCCC1)C(N)=[NH2+] 308128183 572789776 /nfs/dbraw/zinc/78/97/76/572789776.db2.gz AOLJDMLPPUVBJK-MRVPVSSYSA-N 2 0 185.271 0.423 10 0 ACAERP OCCCC[NH2+]CC1CC[NH2+]CC1 236496952 572790146 /nfs/dbraw/zinc/79/01/46/572790146.db2.gz XZFHZIQCOIJWRM-UHFFFAOYSA-N 2 0 186.299 0.348 10 0 ACAERP CC[C@H](C)[N@H+](CCO)C[C@H](C)C[NH3+] 308127760 572791353 /nfs/dbraw/zinc/79/13/53/572791353.db2.gz BYIFFAQKCRLZDW-ZJUUUORDSA-N 2 0 188.315 0.674 10 0 ACAERP CC[N@H+](C)C[C@H](O)CC(C)(C)C[NH3+] 308128353 572790322 /nfs/dbraw/zinc/79/03/22/572790322.db2.gz GBGZWLQKJCSXEO-SECBINFHSA-N 2 0 188.315 0.674 10 0 ACAERP [NH3+]CCCC(CO)CCC[NH3+] 307767350 572790346 /nfs/dbraw/zinc/79/03/46/572790346.db2.gz IAVRCUHFVGIJOM-UHFFFAOYSA-N 2 0 160.261 0.073 10 0 ACAERP COC1C[NH+](C[C@H](C)CCC[NH3+])C1 308127762 572790380 /nfs/dbraw/zinc/79/03/80/572790380.db2.gz BYLWYGQXTVPVBS-SECBINFHSA-N 2 0 186.299 0.692 10 0 ACAERP C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC[NH3+] 308131650 572790394 /nfs/dbraw/zinc/79/03/94/572790394.db2.gz JQKNTYURYWCDAX-ZJUUUORDSA-N 2 0 186.299 0.571 10 0 ACAERP C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC[NH3+] 308131647 572790609 /nfs/dbraw/zinc/79/06/09/572790609.db2.gz JQKNTYURYWCDAX-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP C[C@H]1CCCC[N@@H+]1C[C@@H](O)CC[NH3+] 308131648 572791160 /nfs/dbraw/zinc/79/11/60/572791160.db2.gz JQKNTYURYWCDAX-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP CO[C@H]1CC[N@@H+](C2(C[NH3+])CCCC2)C1 234844174 572791259 /nfs/dbraw/zinc/79/12/59/572791259.db2.gz NRTCVGATSWJEQV-JTQLQIEISA-N 2 0 198.310 0.979 10 0 ACAERP OCCCCNC[C@@H]1CCC[NH2+]1 236497992 572791478 /nfs/dbraw/zinc/79/14/78/572791478.db2.gz PPWHOKRZHSTITL-VIFPVBQESA-N 2 0 172.272 0.101 10 0 ACAERP COC1C[NH+](CC(C)(C)CC[NH3+])C1 308131903 572791488 /nfs/dbraw/zinc/79/14/88/572791488.db2.gz FIBBQBUEIFOCNG-UHFFFAOYSA-N 2 0 186.299 0.692 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]CCC(C)(C)O 308128325 572791609 /nfs/dbraw/zinc/79/16/09/572791609.db2.gz FZLNMCVLWYVOQR-SECBINFHSA-N 2 0 188.315 0.864 10 0 ACAERP CC[C@@H](C)[N@H+](CCO)C[C@H](C)C[NH3+] 308127756 572791674 /nfs/dbraw/zinc/79/16/74/572791674.db2.gz BYIFFAQKCRLZDW-NXEZZACHSA-N 2 0 188.315 0.674 10 0 ACAERP C[C@@H](CCC[NH3+])[NH2+]CCC(C)(C)O 308128326 572791682 /nfs/dbraw/zinc/79/16/82/572791682.db2.gz FZLNMCVLWYVOQR-VIFPVBQESA-N 2 0 188.315 0.864 10 0 ACAERP CC[C@@H](C)[N@H+](CCO)C[C@@H](C)C[NH3+] 308127759 572791714 /nfs/dbraw/zinc/79/17/14/572791714.db2.gz BYIFFAQKCRLZDW-VHSXEESVSA-N 2 0 188.315 0.674 10 0 ACAERP COC1C[NH+](C[C@@H](C)CCC[NH3+])C1 308127763 572791848 /nfs/dbraw/zinc/79/18/48/572791848.db2.gz BYLWYGQXTVPVBS-VIFPVBQESA-N 2 0 186.299 0.692 10 0 ACAERP C[N@@H+]1CC[C@H](CN2CCC[NH2+]CC2)C1 49660619 572791922 /nfs/dbraw/zinc/79/19/22/572791922.db2.gz HCNYYELYEYTMJP-NSHDSACASA-N 2 0 197.326 0.233 10 0 ACAERP CN1CC[N@H+](C)[C@H]2CC[C@H]([NH3+])C[C@H]21 250410552 572791965 /nfs/dbraw/zinc/79/19/65/572791965.db2.gz WCECYGTZUNDZNO-LPEHRKFASA-N 2 0 183.299 0.112 10 0 ACAERP CC[C@H](C)[N@H+](CCO)C[C@@H](C)C[NH3+] 308127758 572792083 /nfs/dbraw/zinc/79/20/83/572792083.db2.gz BYIFFAQKCRLZDW-UWVGGRQHSA-N 2 0 188.315 0.674 10 0 ACAERP C[C@@H]1CC[N@H+](C)CCC[NH2+]1 49663002 572792539 /nfs/dbraw/zinc/79/25/39/572792539.db2.gz BOGQZAYKEOYBTD-MRVPVSSYSA-N 2 0 142.246 0.690 10 0 ACAERP CC[N@H+](C)C[C@@H](O)CC(C)(C)C[NH3+] 308128354 572792795 /nfs/dbraw/zinc/79/27/95/572792795.db2.gz GBGZWLQKJCSXEO-VIFPVBQESA-N 2 0 188.315 0.674 10 0 ACAERP C[C@H](OCC[NH+]1CCCC1)C(N)=[NH2+] 308128184 572792832 /nfs/dbraw/zinc/79/28/32/572792832.db2.gz AOLJDMLPPUVBJK-QMMMGPOBSA-N 2 0 185.271 0.423 10 0 ACAERP CC[N@@H+](CC1CC1)C[C@H](O)CC[NH3+] 308127548 572792836 /nfs/dbraw/zinc/79/28/36/572792836.db2.gz FKRCQBZNFDUVIX-SNVBAGLBSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](C)C1 49663016 572793225 /nfs/dbraw/zinc/79/32/25/572793225.db2.gz ZQJPLGZOWLDWIO-RKDXNWHRSA-N 2 0 156.273 0.936 10 0 ACAERP CN1CC[N@H+](C)[C@@H]2CC[C@@H]([NH3+])C[C@H]21 250410557 572793711 /nfs/dbraw/zinc/79/37/11/572793711.db2.gz WCECYGTZUNDZNO-OPRDCNLKSA-N 2 0 183.299 0.112 10 0 ACAERP C[C@H]1CC[N@H+](C)CCC[NH2+]1 49663004 572794464 /nfs/dbraw/zinc/79/44/64/572794464.db2.gz BOGQZAYKEOYBTD-QMMMGPOBSA-N 2 0 142.246 0.690 10 0 ACAERP CN1CC[N@H+](C)[C@@H]2CC[C@H]([NH3+])C[C@H]21 250410543 572794727 /nfs/dbraw/zinc/79/47/27/572794727.db2.gz WCECYGTZUNDZNO-IVZWLZJFSA-N 2 0 183.299 0.112 10 0 ACAERP C[C@H]1C[NH2+]CCC[N@H+](C)C1 49663020 572794831 /nfs/dbraw/zinc/79/48/31/572794831.db2.gz CVEINCJZJVXHKJ-QMMMGPOBSA-N 2 0 142.246 0.548 10 0 ACAERP C[N@@H+]1CCC[C@H](N2CCC[NH2+]CC2)C1 49660636 572795112 /nfs/dbraw/zinc/79/51/12/572795112.db2.gz JSYNNNNZPWBXDN-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP C[C@H]1CC[C@@H]1[NH2+]CCOCC[NH3+] 307937043 572795476 /nfs/dbraw/zinc/79/54/76/572795476.db2.gz AACACACFZVDCEA-IUCAKERBSA-N 2 0 172.272 0.350 10 0 ACAERP [NH3+]CCC(CC[NH3+])n1ccnc1 238552742 572795542 /nfs/dbraw/zinc/79/55/42/572795542.db2.gz MVFDSGCQTUBFAK-UHFFFAOYSA-N 2 0 168.244 0.122 10 0 ACAERP CC[C@H](C)[NH2+]C[C@@]1(O)CC[NH2+]C1 307937142 572796019 /nfs/dbraw/zinc/79/60/19/572796019.db2.gz AFVKDWHRMSRCKZ-DTWKUNHWSA-N 2 0 172.272 0.099 10 0 ACAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C)C1 49663023 572796077 /nfs/dbraw/zinc/79/60/77/572796077.db2.gz FOKWCYFSTFRKHM-IUCAKERBSA-N 2 0 156.273 0.794 10 0 ACAERP [NH3+]CC[C@@H]1C[N@H+](CCC2CC2)CCO1 238554662 572796342 /nfs/dbraw/zinc/79/63/42/572796342.db2.gz STWVVJZAOYVAGO-LLVKDONJSA-N 2 0 198.310 0.836 10 0 ACAERP C[NH+](C)CCCN1CCC[NH2+]CC1 49660610 572796479 /nfs/dbraw/zinc/79/64/79/572796479.db2.gz NRDDJRLNMCFMDK-UHFFFAOYSA-N 2 0 185.315 0.233 10 0 ACAERP CN1CC[N@H+](C)[C@H]2CC[C@@H]([NH3+])C[C@H]21 250410548 572796504 /nfs/dbraw/zinc/79/65/04/572796504.db2.gz WCECYGTZUNDZNO-KXUCPTDWSA-N 2 0 183.299 0.112 10 0 ACAERP CC[C@H](C)[NH2+]C[C@]1(O)CC[NH2+]C1 307937143 572796595 /nfs/dbraw/zinc/79/65/95/572796595.db2.gz AFVKDWHRMSRCKZ-IUCAKERBSA-N 2 0 172.272 0.099 10 0 ACAERP C[C@@H]1C[NH2+]CCC[N@H+](C)C1 49663019 572796604 /nfs/dbraw/zinc/79/66/04/572796604.db2.gz CVEINCJZJVXHKJ-MRVPVSSYSA-N 2 0 142.246 0.548 10 0 ACAERP C[N@@H+]1CCC[C@@H](N2CCC[NH2+]CC2)C1 49660638 572796764 /nfs/dbraw/zinc/79/67/64/572796764.db2.gz JSYNNNNZPWBXDN-LLVKDONJSA-N 2 0 197.326 0.376 10 0 ACAERP CC[C@@H](C)[NH2+]C[C@@]1(O)CC[NH2+]C1 307937144 572797022 /nfs/dbraw/zinc/79/70/22/572797022.db2.gz AFVKDWHRMSRCKZ-RKDXNWHRSA-N 2 0 172.272 0.099 10 0 ACAERP C[N@@H+]1CC[C@@H](CN2CCC[NH2+]CC2)C1 49660621 572797054 /nfs/dbraw/zinc/79/70/54/572797054.db2.gz HCNYYELYEYTMJP-LLVKDONJSA-N 2 0 197.326 0.233 10 0 ACAERP C[C@H]1C[NH2+]C[C@@H](C)C[N@H+](C)C1 49663022 572797541 /nfs/dbraw/zinc/79/75/41/572797541.db2.gz FOKWCYFSTFRKHM-DTORHVGOSA-N 2 0 156.273 0.794 10 0 ACAERP CC[C@@H](C)[NH2+]C[C@]1(O)CC[NH2+]C1 307937141 572797551 /nfs/dbraw/zinc/79/75/51/572797551.db2.gz AFVKDWHRMSRCKZ-BDAKNGLRSA-N 2 0 172.272 0.099 10 0 ACAERP C[NH2+][C@@H]1C=C(C)C[C@@H]2C[NH2+]C[C@H]21 141675158 572797711 /nfs/dbraw/zinc/79/77/11/572797711.db2.gz PPNDPGDWMJJOSY-OPRDCNLKSA-N 2 0 166.268 0.760 10 0 ACAERP C[C@@H]1CC[C@H]1[NH2+]CCOCC[NH3+] 307937045 572798004 /nfs/dbraw/zinc/79/80/04/572798004.db2.gz AACACACFZVDCEA-RKDXNWHRSA-N 2 0 172.272 0.350 10 0 ACAERP [NH3+]CCOCCC[NH2+]C1CC1 307936935 572798015 /nfs/dbraw/zinc/79/80/15/572798015.db2.gz YXACGCDADQOBMC-UHFFFAOYSA-N 2 0 158.245 0.104 10 0 ACAERP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)CO 308132274 572797886 /nfs/dbraw/zinc/79/78/86/572797886.db2.gz FQSCOAXVMHEDOU-NXEZZACHSA-N 2 0 188.315 0.672 10 0 ACAERP C[N@@H+]1CCN2[C@H](C[NH3+])CCC[C@H]2C1 250417597 572798981 /nfs/dbraw/zinc/79/89/81/572798981.db2.gz YIDHZNUYYKKCML-UWVGGRQHSA-N 2 0 183.299 0.114 10 0 ACAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)CO 308132277 572798494 /nfs/dbraw/zinc/79/84/94/572798494.db2.gz FQSCOAXVMHEDOU-ZJUUUORDSA-N 2 0 188.315 0.672 10 0 ACAERP [NH3+]CCOCCC[N@H+]1CC=CCC1 308132150 572798513 /nfs/dbraw/zinc/79/85/13/572798513.db2.gz FMHCJHICMXTLTD-UHFFFAOYSA-N 2 0 184.283 0.614 10 0 ACAERP CO[C@@]1(C)CC[N@H+](CCC(N)=[NH2+])C1 308132200 572798594 /nfs/dbraw/zinc/79/85/94/572798594.db2.gz KHMWVRQBJACTEN-VIFPVBQESA-N 2 0 185.271 0.423 10 0 ACAERP CO[C@]1(C)CC[N@H+](CCC(N)=[NH2+])C1 308132197 572798680 /nfs/dbraw/zinc/79/86/80/572798680.db2.gz KHMWVRQBJACTEN-SECBINFHSA-N 2 0 185.271 0.423 10 0 ACAERP CO[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])C1 299911797 572801114 /nfs/dbraw/zinc/80/11/14/572801114.db2.gz NMGNDJMKXBIGDA-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@@H]1[NH3+] 235346455 572799144 /nfs/dbraw/zinc/79/91/44/572799144.db2.gz HCCVBAGBWALQHQ-YTWAJWBKSA-N 2 0 198.310 0.569 10 0 ACAERP C[C@@H]1C[N@@H+](C2CC2)CC[C@@H]1[NH3+] 49708968 572800011 /nfs/dbraw/zinc/80/00/11/572800011.db2.gz FROHXGHZMQHEDB-APPZFPTMSA-N 2 0 154.257 0.818 10 0 ACAERP CC[N@H+](C)CCCOCC[NH3+] 307938374 572800020 /nfs/dbraw/zinc/80/00/20/572800020.db2.gz ZTVYHKCTRGQLGW-UHFFFAOYSA-N 2 0 160.261 0.304 10 0 ACAERP CO[C@H]1CCC[N@H+](CC[C@H](C)[NH3+])C1 299911544 572800184 /nfs/dbraw/zinc/80/01/84/572800184.db2.gz NDKPFJQZKQEUIG-UWVGGRQHSA-N 2 0 186.299 0.835 10 0 ACAERP C1C[NH2+]CCC[NH+](C2CCOCC2)C1 49666388 572800289 /nfs/dbraw/zinc/80/02/89/572800289.db2.gz DFMUSHHVXHVWLF-UHFFFAOYSA-N 2 0 198.310 0.851 10 0 ACAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)CO 308132275 572800303 /nfs/dbraw/zinc/80/03/03/572800303.db2.gz FQSCOAXVMHEDOU-UWVGGRQHSA-N 2 0 188.315 0.672 10 0 ACAERP CO[C@@H]1CCC[N@H+](C[C@H](C)C[NH3+])C1 299911796 572800584 /nfs/dbraw/zinc/80/05/84/572800584.db2.gz NMGNDJMKXBIGDA-NXEZZACHSA-N 2 0 186.299 0.692 10 0 ACAERP CC[C@H](C[NH2+]CC1([NH3+])CC1)OC 307937993 572800630 /nfs/dbraw/zinc/80/06/30/572800630.db2.gz RVTJBVNVDWSSOB-MRVPVSSYSA-N 2 0 172.272 0.492 10 0 ACAERP C[N@@H+]1CCN2[C@@H](CCC[C@@H]2C[NH3+])C1 250417605 572801035 /nfs/dbraw/zinc/80/10/35/572801035.db2.gz YIDHZNUYYKKCML-ZJUUUORDSA-N 2 0 183.299 0.114 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCO1 49694025 572801126 /nfs/dbraw/zinc/80/11/26/572801126.db2.gz PAPYEQNUVMIJGT-MXWKQRLJSA-N 2 0 198.310 0.977 10 0 ACAERP CO[C@@H]1CCC[N@H+](CC[C@H](C)[NH3+])C1 299911545 572801372 /nfs/dbraw/zinc/80/13/72/572801372.db2.gz NDKPFJQZKQEUIG-VHSXEESVSA-N 2 0 186.299 0.835 10 0 ACAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCO1 49694031 572801737 /nfs/dbraw/zinc/80/17/37/572801737.db2.gz PAPYEQNUVMIJGT-VWYCJHECSA-N 2 0 198.310 0.977 10 0 ACAERP Cc1cc(N)n(C)c1N1CC[C@H]([NH3+])C1 257567832 572801807 /nfs/dbraw/zinc/80/18/07/572801807.db2.gz BYCZBFXJSSYEPZ-QMMMGPOBSA-N 2 0 194.282 0.453 10 0 ACAERP C[C@@H]1CCN(C2=[NH+]CCN2)[C@H](C[NH3+])C1 235352976 572801874 /nfs/dbraw/zinc/80/18/74/572801874.db2.gz JFGVIYHKJMKTGL-BDAKNGLRSA-N 2 0 196.298 0.005 10 0 ACAERP C[C@@H]1C[N@@H+]([C@@H]2CCCOCC2)C[C@@H]1[NH3+] 235347146 572801945 /nfs/dbraw/zinc/80/19/45/572801945.db2.gz PNZOWLOLFBDQFK-MXWKQRLJSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1CC1 49708988 572802210 /nfs/dbraw/zinc/80/22/10/572802210.db2.gz QNCFUUKHWILSKF-JGVFFNPUSA-N 2 0 154.257 0.960 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C1CC1 49708986 572802287 /nfs/dbraw/zinc/80/22/87/572802287.db2.gz QNCFUUKHWILSKF-HTQZYQBOSA-N 2 0 154.257 0.960 10 0 ACAERP CC[C@H]([NH3+])CSCC1C[NH2+]C1 307933350 572802379 /nfs/dbraw/zinc/80/23/79/572802379.db2.gz WIGSBLOKAJUGFR-QMMMGPOBSA-N 2 0 174.313 0.676 10 0 ACAERP C[C@H]1C[N@@H+](C2CC2)CC[C@@H]1[NH3+] 49708970 572802891 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572821219 /nfs/dbraw/zinc/82/12/19/572821219.db2.gz RIEITWZCKVIGBM-SNVBAGLBSA-N 2 0 186.299 0.441 10 0 ACAERP CCC[C@](C)(O)C[NH2+][C@H](C)[C@@H](C)[NH3+] 308140287 572821258 /nfs/dbraw/zinc/82/12/58/572821258.db2.gz RXQWSVMCLHMHHA-BBBLOLIVSA-N 2 0 188.315 0.863 10 0 ACAERP CC[N@H+](C)C[C@@H](O)C[NH2+]C1CCC1 308139695 572821558 /nfs/dbraw/zinc/82/15/58/572821558.db2.gz RIEITWZCKVIGBM-JTQLQIEISA-N 2 0 186.299 0.441 10 0 ACAERP CCc1nccn1C[C@H](O)CC[NH3+] 308140710 572821668 /nfs/dbraw/zinc/82/16/68/572821668.db2.gz SNIBNJXCPHTIRD-MRVPVSSYSA-N 2 0 183.255 0.155 10 0 ACAERP [NH3+]CCCN(CCC[NH3+])CC1CC1 238565112 572821913 /nfs/dbraw/zinc/82/19/13/572821913.db2.gz JXLNSBGBFGLYPP-UHFFFAOYSA-N 2 0 185.315 0.396 10 0 ACAERP C[C@@H](CCO)[NH2+][C@H](C)CCCC[NH3+] 308140333 572821935 /nfs/dbraw/zinc/82/19/35/572821935.db2.gz SDYASGCIVDZMBQ-ZJUUUORDSA-N 2 0 188.315 0.864 10 0 ACAERP C[N@@H+]1CC[C@@H](O)[C@@]2(CCC[NH2+]C2)CC1 75124715 572822179 /nfs/dbraw/zinc/82/21/79/572822179.db2.gz 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186.299 0.618 10 0 ACAERP C[C@@H](CCO)[NH2+][C@@H](C)CCCC[NH3+] 308140331 572823143 /nfs/dbraw/zinc/82/31/43/572823143.db2.gz SDYASGCIVDZMBQ-UWVGGRQHSA-N 2 0 188.315 0.864 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1CCCOC1 308139703 572823170 /nfs/dbraw/zinc/82/31/70/572823170.db2.gz RIESVLFMCIMTFV-LPEHRKFASA-N 2 0 186.299 0.738 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)[NH2+]C[C@H]1CCCOC1 308139701 572823194 /nfs/dbraw/zinc/82/31/94/572823194.db2.gz RIESVLFMCIMTFV-IVZWLZJFSA-N 2 0 186.299 0.738 10 0 ACAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+][C@H](C)CCO 308144407 572823203 /nfs/dbraw/zinc/82/32/03/572823203.db2.gz WRWOPBLDXNFSDY-IVZWLZJFSA-N 2 0 186.299 0.345 10 0 ACAERP COC1CC([NH+]2CCC(C[NH3+])CC2)C1 234607949 572823218 /nfs/dbraw/zinc/82/32/18/572823218.db2.gz HKWGDMVGHGYMOM-UHFFFAOYSA-N 2 0 198.310 0.835 10 0 ACAERP CN1CC[C@@H](Cc2cn[nH]c2)[C@H]([NH3+])C1 75121816 572823543 /nfs/dbraw/zinc/82/35/43/572823543.db2.gz NBCGYSNXNMTXDU-VHSXEESVSA-N 2 0 194.282 0.231 10 0 ACAERP 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572824478 /nfs/dbraw/zinc/82/44/78/572824478.db2.gz HMUJMHBQOOVKSX-UHFFFAOYSA-N 2 0 190.250 0.644 10 0 ACAERP CN1CC[C@H](Cc2cn[nH]c2)[C@H]([NH3+])C1 75121813 572824582 /nfs/dbraw/zinc/82/45/82/572824582.db2.gz NBCGYSNXNMTXDU-NXEZZACHSA-N 2 0 194.282 0.231 10 0 ACAERP [NH3+]CCc1ccc(O)c(CC[NH3+])c1 238573195 572824891 /nfs/dbraw/zinc/82/48/91/572824891.db2.gz RIJGXIJJZIXOAC-UHFFFAOYSA-N 2 0 180.251 0.395 10 0 ACAERP N[C@@H](CC[NH3+])NC(=O)c1ccccc1 238557534 572824998 /nfs/dbraw/zinc/82/49/98/572824998.db2.gz BQLZZOOWJRZWET-SECBINFHSA-N 2 0 193.250 0.050 10 0 ACAERP NCC[NH2+]CCCCCCC[NH3+] 238558135 572825380 /nfs/dbraw/zinc/82/53/80/572825380.db2.gz IWQCWFPYUNOCFG-UHFFFAOYSA-N 2 0 173.304 0.444 10 0 ACAERP CN(C/C=C/C[NH3+])Cc1ccnn1C 689574712 572825729 /nfs/dbraw/zinc/82/57/29/572825729.db2.gz GTIRIEKNRZQPMF-ONEGZZNKSA-N 2 0 194.282 0.367 10 0 ACAERP O[C@@H]1CCC[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]1 236541006 572825974 /nfs/dbraw/zinc/82/59/74/572825974.db2.gz UNLGFSHRRIDIHN-GARJFASQSA-N 2 0 198.310 0.489 10 0 ACAERP [NH3+]Cc1ccc2c(c1)C[C@H]([NH3+])CC2 713762202 572826832 /nfs/dbraw/zinc/82/68/32/572826832.db2.gz KMMKZRWROIZVDE-LLVKDONJSA-N 2 0 176.263 0.961 10 0 ACAERP [NH3+]CCC[C@@H]1C[NH+]2CCC(CC2)[C@@H]1O 75124734 572826957 /nfs/dbraw/zinc/82/69/57/572826957.db2.gz CLAZLQQZCHANTN-MNOVXSKESA-N 2 0 198.310 0.428 10 0 ACAERP C[C@H](CO)CN1CCC[C@H]2C[NH2+]C[C@@H]21 299892739 572826968 /nfs/dbraw/zinc/82/69/68/572826968.db2.gz CSDUINDUDWJXBY-DCAQKATOSA-N 2 0 198.310 0.299 10 0 ACAERP [NH3+]CCC[C@@H]1C[NH+]2CCC(CC2)[C@H]1O 75124738 572827065 /nfs/dbraw/zinc/82/70/65/572827065.db2.gz CLAZLQQZCHANTN-GHMZBOCLSA-N 2 0 198.310 0.428 10 0 ACAERP [NH3+]CCC[C@H]1C[NH+]2CCC(CC2)[C@H]1O 75124744 572827378 /nfs/dbraw/zinc/82/73/78/572827378.db2.gz CLAZLQQZCHANTN-WDEREUQCSA-N 2 0 198.310 0.428 10 0 ACAERP [NH3+]C[C@@H]1CC[N@H+](CCn2cccc2)C1 238569959 572827673 /nfs/dbraw/zinc/82/76/73/572827673.db2.gz LOCXYMYZRCVUAA-NSHDSACASA-N 2 0 193.294 0.769 10 0 ACAERP CC[C@H]1CC[N@H+](C[C@H](O)CC[NH3+])C1 308141586 572828054 /nfs/dbraw/zinc/82/80/54/572828054.db2.gz ULGYLXLFSJNKEL-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP CN(C/C=C\C[NH3+])Cc1ccnn1C 689574711 572828156 /nfs/dbraw/zinc/82/81/56/572828156.db2.gz GTIRIEKNRZQPMF-ARJAWSKDSA-N 2 0 194.282 0.367 10 0 ACAERP C[NH+](C)CCN1CCC[C@H]2C[NH2+]C[C@H]21 299892846 572828157 /nfs/dbraw/zinc/82/81/57/572828157.db2.gz DXRAQMMCAHRQPW-WDEREUQCSA-N 2 0 197.326 0.232 10 0 ACAERP [NH3+]C[C@H]1CC[N@H+](CCn2cccc2)C1 238569557 572828276 /nfs/dbraw/zinc/82/82/76/572828276.db2.gz LOCXYMYZRCVUAA-LLVKDONJSA-N 2 0 193.294 0.769 10 0 ACAERP [NH3+]CCCNC[C@H]([NH3+])c1ccccc1 238568134 572828320 /nfs/dbraw/zinc/82/83/20/572828320.db2.gz DQVFFOIIGNTKLI-NSHDSACASA-N 2 0 193.294 0.625 10 0 ACAERP CC1(C)CC[N@H+](C[C@H](O)CC[NH3+])C1 308141550 572828387 /nfs/dbraw/zinc/82/83/87/572828387.db2.gz UHLCWXSHOWCGQD-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@H](CO)CN1CCC[C@H]2C[NH2+]C[C@H]21 299892740 572828554 /nfs/dbraw/zinc/82/85/54/572828554.db2.gz CSDUINDUDWJXBY-GARJFASQSA-N 2 0 198.310 0.299 10 0 ACAERP CC[C@@H]1CC[N@H+](C[C@H](O)CC[NH3+])C1 308141584 572828632 /nfs/dbraw/zinc/82/86/32/572828632.db2.gz ULGYLXLFSJNKEL-NXEZZACHSA-N 2 0 186.299 0.428 10 0 ACAERP [NH3+]CCCSCCSCC[NH3+] 238570812 572828857 /nfs/dbraw/zinc/82/88/57/572828857.db2.gz NMHDLZDZXURZLR-UHFFFAOYSA-N 2 0 194.369 0.760 10 0 ACAERP C[C@H](CO)CN1CCC[C@@H]2C[NH2+]C[C@H]21 299892741 572828921 /nfs/dbraw/zinc/82/89/21/572828921.db2.gz CSDUINDUDWJXBY-HBNTYKKESA-N 2 0 198.310 0.299 10 0 ACAERP [NH3+]CCCNC[C@@H]([NH3+])c1ccccc1 238567990 572828950 /nfs/dbraw/zinc/82/89/50/572828950.db2.gz DQVFFOIIGNTKLI-LLVKDONJSA-N 2 0 193.294 0.625 10 0 ACAERP C[NH+](C)CCN1CCC[C@@H]2C[NH2+]C[C@H]21 299892845 572828952 /nfs/dbraw/zinc/82/89/52/572828952.db2.gz DXRAQMMCAHRQPW-GHMZBOCLSA-N 2 0 197.326 0.232 10 0 ACAERP COC1CC([N@@H+]2CCC[C@H](C[NH3+])C2)C1 234611410 572828969 /nfs/dbraw/zinc/82/89/69/572828969.db2.gz UHHJFROZAHOSSY-KPPDAEKUSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC(C)(C)CCO 308141561 572829336 /nfs/dbraw/zinc/82/93/36/572829336.db2.gz UIGKBJGNCPUTQQ-RKDXNWHRSA-N 2 0 188.315 0.720 10 0 ACAERP OC[C@@H]1C[C@H]([NH+]2CCCC2)CC[NH2+]1 118284169 572829415 /nfs/dbraw/zinc/82/94/15/572829415.db2.gz JEMXQIZGIMRAHN-VHSXEESVSA-N 2 0 184.283 0.195 10 0 ACAERP [NH3+]C[C@H]1CC[N@H+](CCc2c[nH]cn2)C1 238569529 572829496 /nfs/dbraw/zinc/82/94/96/572829496.db2.gz XVUWDJBGFLXAHB-SECBINFHSA-N 2 0 194.282 0.233 10 0 ACAERP [NH3+]C[C@@H]1CC[N@H+](CCc2c[nH]cn2)C1 238569935 572829573 /nfs/dbraw/zinc/82/95/73/572829573.db2.gz XVUWDJBGFLXAHB-VIFPVBQESA-N 2 0 194.282 0.233 10 0 ACAERP NC(=[NH2+])CCSCCC(N)=[NH2+] 238572434 572829613 /nfs/dbraw/zinc/82/96/13/572829613.db2.gz NZEJVFOCLOEKMD-UHFFFAOYSA-N 2 0 174.273 0.372 10 0 ACAERP CC[C@H]1CC[N@H+](C[C@@H](O)CC[NH3+])C1 308141585 572829631 /nfs/dbraw/zinc/82/96/31/572829631.db2.gz ULGYLXLFSJNKEL-UWVGGRQHSA-N 2 0 186.299 0.428 10 0 ACAERP [NH3+]C/C=C\C=C\C[NH3+] 118286535 572829982 /nfs/dbraw/zinc/82/99/82/572829982.db2.gz RQSSAGYYIFWWCR-HSFFGMMNSA-N 2 0 112.176 0.016 10 0 ACAERP CC[C@@H]1CC[N@H+](C[C@@H](O)CC[NH3+])C1 308141587 572830208 /nfs/dbraw/zinc/83/02/08/572830208.db2.gz ULGYLXLFSJNKEL-ZJUUUORDSA-N 2 0 186.299 0.428 10 0 ACAERP CC[N@H+](CC(N)=O)C1CCC([NH3+])CC1 85870621 572830246 /nfs/dbraw/zinc/83/02/46/572830246.db2.gz HPUDUDXXFBAXAB-UHFFFAOYSA-N 2 0 199.298 0.064 10 0 ACAERP C[NH2+]C1CCC([N@H+](C)CCO)CC1 85872817 572830258 /nfs/dbraw/zinc/83/02/58/572830258.db2.gz HLZCZLZKAKPMPO-UHFFFAOYSA-N 2 0 186.299 0.441 10 0 ACAERP CC1(C)CC[N@H+](C[C@@H](O)CC[NH3+])C1 308141551 572830589 /nfs/dbraw/zinc/83/05/89/572830589.db2.gz UHLCWXSHOWCGQD-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CO)C1 308142793 572831131 /nfs/dbraw/zinc/83/11/31/572831131.db2.gz MFQBVWKVRDQHSD-ZJUUUORDSA-N 2 0 186.299 0.299 10 0 ACAERP OC[C@H]1C[C@@H]([NH+]2CCCC2)CC[NH2+]1 118284175 572831140 /nfs/dbraw/zinc/83/11/40/572831140.db2.gz JEMXQIZGIMRAHN-ZJUUUORDSA-N 2 0 184.283 0.195 10 0 ACAERP COC1CC([NH+]2CCC[NH2+]CCC2)C1 234609501 572831288 /nfs/dbraw/zinc/83/12/88/572831288.db2.gz VKDWCLUYKANYBL-UHFFFAOYSA-N 2 0 198.310 0.849 10 0 ACAERP CC[NH2+]CCN(CCO)[C@H](C)CC 308142347 572834282 /nfs/dbraw/zinc/83/42/82/572834282.db2.gz MCAXJLULPNIJLY-SNVBAGLBSA-N 2 0 188.315 0.689 10 0 ACAERP Cc1cccc(C(C[NH3+])C[NH3+])c1 71495804 572831727 /nfs/dbraw/zinc/83/17/27/572831727.db2.gz UBZGGPJTZHWIDN-UHFFFAOYSA-N 2 0 164.252 0.996 10 0 ACAERP CC[C@@H]([NH3+])CN(C)[C@H]1CCO[C@@H]1C 308142486 572831937 /nfs/dbraw/zinc/83/19/37/572831937.db2.gz MDUGGNCWDIIMRD-BBBLOLIVSA-N 2 0 186.299 0.833 10 0 ACAERP CCCN1C[C@H](C)O[C@H](C[NH3+])C1 71496693 572831965 /nfs/dbraw/zinc/83/19/65/572831965.db2.gz QKCLILLYVAYJAW-DTWKUNHWSA-N 2 0 172.272 0.444 10 0 ACAERP C[N@H+](CCC(N)=O)C1CCC([NH3+])CC1 85869772 572832133 /nfs/dbraw/zinc/83/21/33/572832133.db2.gz INVIVCMMTYUBPV-UHFFFAOYSA-N 2 0 199.298 0.064 10 0 ACAERP CC[C@@H]([NH3+])CN(C)[C@H]1CCO[C@H]1C 308142482 572832269 /nfs/dbraw/zinc/83/22/69/572832269.db2.gz MDUGGNCWDIIMRD-AEJSXWLSSA-N 2 0 186.299 0.833 10 0 ACAERP CCc1nc(CC[NH3+])cn1C 71494017 572832413 /nfs/dbraw/zinc/83/24/13/572832413.db2.gz UNKXXIIDWYRRIR-UHFFFAOYSA-N 2 0 153.229 0.484 10 0 ACAERP CC[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](C2CC2)C1 85901500 572834362 /nfs/dbraw/zinc/83/43/62/572834362.db2.gz AQLWYYBZQXZQDZ-MWLCHTKSSA-N 2 0 198.310 0.571 10 0 ACAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CO)C1 308142790 572832902 /nfs/dbraw/zinc/83/29/02/572832902.db2.gz MFQBVWKVRDQHSD-NXEZZACHSA-N 2 0 186.299 0.299 10 0 ACAERP COC(=O)[C@@H](C)N[C@H](C)CCC[NH3+] 308142184 572833005 /nfs/dbraw/zinc/83/30/05/572833005.db2.gz UVGJBYSBCJTZAJ-HTQZYQBOSA-N 2 0 188.271 0.265 10 0 ACAERP CC[C@@H](C[NH3+])[C@@]1(O)CC[N@@H+](C2CC2)C1 85901497 572834623 /nfs/dbraw/zinc/83/46/23/572834623.db2.gz AQLWYYBZQXZQDZ-GXSJLCMTSA-N 2 0 198.310 0.571 10 0 ACAERP CC[C@H](C)[NH2+]C[C@H](O)CC[NH3+] 71495645 572833297 /nfs/dbraw/zinc/83/32/97/572833297.db2.gz YTOHCUPACKJKTB-JGVFFNPUSA-N 2 0 160.261 0.084 10 0 ACAERP COC(=O)[C@@H](C)N[C@@H](C)CCC[NH3+] 308142185 572833377 /nfs/dbraw/zinc/83/33/77/572833377.db2.gz UVGJBYSBCJTZAJ-JGVFFNPUSA-N 2 0 188.271 0.265 10 0 ACAERP CCCN1C[C@@H](C)O[C@H](C[NH3+])C1 71496695 572833538 /nfs/dbraw/zinc/83/35/38/572833538.db2.gz QKCLILLYVAYJAW-RKDXNWHRSA-N 2 0 172.272 0.444 10 0 ACAERP CC[C@@H](C[NH3+])[C@]1(O)CC[N@@H+](C2CC2)C1 85901490 572833564 /nfs/dbraw/zinc/83/35/64/572833564.db2.gz AQLWYYBZQXZQDZ-ONGXEEELSA-N 2 0 198.310 0.571 10 0 ACAERP [NH3+][C@H]1C[C@@H]1C1CC[NH2+]CC1 23918741 572833774 /nfs/dbraw/zinc/83/37/74/572833774.db2.gz XDROMHNSTGRWJC-SFYZADRCSA-N 2 0 140.230 0.333 10 0 ACAERP Cc1ccc(C(C[NH3+])C[NH3+])cc1 71495805 572833941 /nfs/dbraw/zinc/83/39/41/572833941.db2.gz PKAUHIGRNVVEDJ-UHFFFAOYSA-N 2 0 164.252 0.996 10 0 ACAERP CC[C@@H](C)[NH2+]C[C@H](O)CC[NH3+] 71495644 572834009 /nfs/dbraw/zinc/83/40/09/572834009.db2.gz YTOHCUPACKJKTB-HTQZYQBOSA-N 2 0 160.261 0.084 10 0 ACAERP CO[C@@H](C)C[N@@H+]1CC[NH2+]C[C@H](C)C1 299893546 572834100 /nfs/dbraw/zinc/83/41/00/572834100.db2.gz MFOFDHAYNWWKJF-UWVGGRQHSA-N 2 0 186.299 0.563 10 0 ACAERP CC(C)[NH2+]CC1(O)CC[NH2+]CC1 71496708 572834107 /nfs/dbraw/zinc/83/41/07/572834107.db2.gz UBBKWLSQIFITQG-UHFFFAOYSA-N 2 0 172.272 0.099 10 0 ACAERP NC(=[NH2+])NCCCCCC1=[NH+]CCN1 238582833 572834402 /nfs/dbraw/zinc/83/44/02/572834402.db2.gz YUAKSRIKZPLQFS-UHFFFAOYSA-N 2 0 197.286 0.032 10 0 ACAERP CC[NH2+]CCN(CCO)[C@@H](C)CC 308142343 572834590 /nfs/dbraw/zinc/83/45/90/572834590.db2.gz MCAXJLULPNIJLY-JTQLQIEISA-N 2 0 188.315 0.689 10 0 ACAERP CC[C@H](C[NH3+])[C@]1(O)CC[N@@H+](C2CC2)C1 85901493 572835563 /nfs/dbraw/zinc/83/55/63/572835563.db2.gz AQLWYYBZQXZQDZ-KOLCDFICSA-N 2 0 198.310 0.571 10 0 ACAERP C[C@@H]1C[NH2+]CCN(CC[NH+](C)C)C1 71499708 572835773 /nfs/dbraw/zinc/83/57/73/572835773.db2.gz ABSDCYIUFOCLOE-SNVBAGLBSA-N 2 0 185.315 0.089 10 0 ACAERP FCCCC[NH2+]C[C@@H]1CC[NH2+]C1 307956907 572835910 /nfs/dbraw/zinc/83/59/10/572835910.db2.gz GNTAUOHJAGWBHA-VIFPVBQESA-N 2 0 174.263 0.935 10 0 ACAERP CC(C)(O)CC[NH2+][C@@H]1CC[C@H]([NH3+])C1 308143499 572836057 /nfs/dbraw/zinc/83/60/57/572836057.db2.gz MQTQGEYEYMRSOR-DTWKUNHWSA-N 2 0 186.299 0.617 10 0 ACAERP C[C@H](O)CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 308142914 572836250 /nfs/dbraw/zinc/83/62/50/572836250.db2.gz MLPZLJVBKXTWCB-UWVGGRQHSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@H](O)CC[N@@H+]1CC[C@](C)(C[NH3+])C1 308143401 572836337 /nfs/dbraw/zinc/83/63/37/572836337.db2.gz MLPZLJVBKXTWCB-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP CO[C@@H]1CCC[C@@H]1[N@H+](C)CCC[NH3+] 308143165 572836428 /nfs/dbraw/zinc/83/64/28/572836428.db2.gz VZYLJPGWEJIANC-VHSXEESVSA-N 2 0 186.299 0.835 10 0 ACAERP C[C@H]1C[NH2+]CCN(CC[NH+](C)C)C1 71499710 572838102 /nfs/dbraw/zinc/83/81/02/572838102.db2.gz ABSDCYIUFOCLOE-JTQLQIEISA-N 2 0 185.315 0.089 10 0 ACAERP CO[C@@H]1CCC[C@H]1[N@H+](C)CCC[NH3+] 308143163 572836764 /nfs/dbraw/zinc/83/67/64/572836764.db2.gz VZYLJPGWEJIANC-NXEZZACHSA-N 2 0 186.299 0.835 10 0 ACAERP C[C@H](O)CC[NH2+][C@@H](C)CCCC[NH3+] 308143134 572836879 /nfs/dbraw/zinc/83/68/79/572836879.db2.gz VXDNUXDUKNZFOO-UWVGGRQHSA-N 2 0 188.315 0.864 10 0 ACAERP C[C@@H](CCCC[NH3+])[NH2+]CC[C@@H](C)O 308143135 572836961 /nfs/dbraw/zinc/83/69/61/572836961.db2.gz VXDNUXDUKNZFOO-VHSXEESVSA-N 2 0 188.315 0.864 10 0 ACAERP CC(C)(O)CC[NH2+][C@H]1CC[C@@H]([NH3+])C1 308143498 572836965 /nfs/dbraw/zinc/83/69/65/572836965.db2.gz MQTQGEYEYMRSOR-BDAKNGLRSA-N 2 0 186.299 0.617 10 0 ACAERP C[NH2+]CC1(O)CC[NH+](C2CC2)CC1 71499553 572837015 /nfs/dbraw/zinc/83/70/15/572837015.db2.gz QICNUCXINOFLKV-UHFFFAOYSA-N 2 0 184.283 0.195 10 0 ACAERP CCCC[N@@H+]1CCO[C@@H](CC[NH3+])C1 71499848 572837049 /nfs/dbraw/zinc/83/70/49/572837049.db2.gz LNUIUFMSIYNOMQ-JTQLQIEISA-N 2 0 186.299 0.836 10 0 ACAERP CC[C@@H](C[NH2+]C[C@H](C)C[NH3+])OC 308143521 572837553 /nfs/dbraw/zinc/83/75/53/572837553.db2.gz IPUPWRMYRZHTDH-BDAKNGLRSA-N 2 0 174.288 0.596 10 0 ACAERP 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GTCLCOKDWIZKCG-UHFFFAOYSA-N 2 0 185.315 0.408 10 0 ACAERP C[C@@H]1CC[C@H]1[NH2+]CCCOCC[NH3+] 308156526 572872210 /nfs/dbraw/zinc/87/22/10/572872210.db2.gz UJSAHUATHGRKJU-NXEZZACHSA-N 2 0 186.299 0.740 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1cnoc1 257610792 572872244 /nfs/dbraw/zinc/87/22/44/572872244.db2.gz KWICRJPPSMUONW-VHSXEESVSA-N 2 0 195.266 0.496 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1ncc[nH]1 257608945 572872854 /nfs/dbraw/zinc/87/28/54/572872854.db2.gz BYOHEBRASDCXQL-DTWKUNHWSA-N 2 0 194.282 0.231 10 0 ACAERP CC(C)[C@H](O)C[NH2+]C[C@H](C)C[NH3+] 307967556 572873037 /nfs/dbraw/zinc/87/30/37/572873037.db2.gz SUOVNJFSHZRKSY-RKDXNWHRSA-N 2 0 174.288 0.188 10 0 ACAERP CC[N@H+](C)C[C@]1(COC)CC[NH2+]C1 308155675 572874213 /nfs/dbraw/zinc/87/42/13/572874213.db2.gz TWUXIXRMOBZOPB-JTQLQIEISA-N 2 0 186.299 0.564 10 0 ACAERP C[NH2+]CCCCc1cn(C)cn1 307967288 572873217 /nfs/dbraw/zinc/87/32/17/572873217.db2.gz SJILDUZTHAJWAR-UHFFFAOYSA-N 2 0 167.256 0.962 10 0 ACAERP CO[C@@H](C)CC[NH2+]C[C@H](C)C[NH3+] 308155364 572873357 /nfs/dbraw/zinc/87/33/57/572873357.db2.gz OMPNEBMMBZMIQK-BDAKNGLRSA-N 2 0 174.288 0.596 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1ncc[nH]1 257608947 572873410 /nfs/dbraw/zinc/87/34/10/572873410.db2.gz BYOHEBRASDCXQL-RKDXNWHRSA-N 2 0 194.282 0.231 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1ccc[nH]1 257609016 572873436 /nfs/dbraw/zinc/87/34/36/572873436.db2.gz ITYWRXUFYXVKLU-MWLCHTKSSA-N 2 0 193.294 0.836 10 0 ACAERP CC(C)[C@@H](O)C[NH2+]C[C@H](C)C[NH3+] 307967551 572873746 /nfs/dbraw/zinc/87/37/46/572873746.db2.gz SUOVNJFSHZRKSY-BDAKNGLRSA-N 2 0 174.288 0.188 10 0 ACAERP CC(C)[C@@H](O)C[NH2+]C[C@@H](C)C[NH3+] 307967555 572873772 /nfs/dbraw/zinc/87/37/72/572873772.db2.gz SUOVNJFSHZRKSY-IUCAKERBSA-N 2 0 174.288 0.188 10 0 ACAERP CO[C@@H](C)CC[NH2+]C[C@@H](C)C[NH3+] 308155374 572873812 /nfs/dbraw/zinc/87/38/12/572873812.db2.gz OMPNEBMMBZMIQK-IUCAKERBSA-N 2 0 174.288 0.596 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1cn[nH]c1 257609035 572874174 /nfs/dbraw/zinc/87/41/74/572874174.db2.gz KFKWGYPLYXAPNF-VHSXEESVSA-N 2 0 194.282 0.231 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1cc[nH]n1 257608943 572874000 /nfs/dbraw/zinc/87/40/00/572874000.db2.gz BVVUGZCVTJUMCP-WCBMZHEXSA-N 2 0 194.282 0.231 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1cn[nH]c1 257609032 572874295 /nfs/dbraw/zinc/87/42/95/572874295.db2.gz KFKWGYPLYXAPNF-NXEZZACHSA-N 2 0 194.282 0.231 10 0 ACAERP C[N@H+](C[C@@H](O)CC[NH3+])C1CCCC1 77273259 572874940 /nfs/dbraw/zinc/87/49/40/572874940.db2.gz OQYGRJHGKVCSCQ-JTQLQIEISA-N 2 0 186.299 0.571 10 0 ACAERP CO[C@H](C)CC[NH2+]C[C@@H](C)C[NH3+] 308155369 572874905 /nfs/dbraw/zinc/87/49/05/572874905.db2.gz OMPNEBMMBZMIQK-DTWKUNHWSA-N 2 0 174.288 0.596 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1cc[nH]c1 257608898 572875032 /nfs/dbraw/zinc/87/50/32/572875032.db2.gz ACPANPRRLBBUDX-WDEREUQCSA-N 2 0 193.294 0.836 10 0 ACAERP CC[N@H+](C)C[C@@]1(COC)CC[NH2+]C1 308155676 572875080 /nfs/dbraw/zinc/87/50/80/572875080.db2.gz TWUXIXRMOBZOPB-SNVBAGLBSA-N 2 0 186.299 0.564 10 0 ACAERP CO[C@H](C)CC[NH2+]C[C@H](C)C[NH3+] 308155379 572875925 /nfs/dbraw/zinc/87/59/25/572875925.db2.gz OMPNEBMMBZMIQK-RKDXNWHRSA-N 2 0 174.288 0.596 10 0 ACAERP CC[C@H](C[NH+](C)C)N1CC[NH2+]CC1 77272596 572875192 /nfs/dbraw/zinc/87/51/92/572875192.db2.gz NFOSEBKRIVCACE-SNVBAGLBSA-N 2 0 185.315 0.232 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1cc[nH]n1 257608941 572875211 /nfs/dbraw/zinc/87/52/11/572875211.db2.gz BVVUGZCVTJUMCP-PSASIEDQSA-N 2 0 194.282 0.231 10 0 ACAERP CC[C@@H](C[NH+](C)C)N1CC[NH2+]CC1 77272592 572875990 /nfs/dbraw/zinc/87/59/90/572875990.db2.gz NFOSEBKRIVCACE-JTQLQIEISA-N 2 0 185.315 0.232 10 0 ACAERP C[N@H+](C[C@H](O)CC[NH3+])C1CCCC1 77273254 572875680 /nfs/dbraw/zinc/87/56/80/572875680.db2.gz OQYGRJHGKVCSCQ-SNVBAGLBSA-N 2 0 186.299 0.571 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1ccc[nH]1 257609015 572875902 /nfs/dbraw/zinc/87/59/02/572875902.db2.gz ITYWRXUFYXVKLU-GXSJLCMTSA-N 2 0 193.294 0.836 10 0 ACAERP CC[C@@H](CN1CC[NH2+]CC1)[NH+](C)C 77272603 572875929 /nfs/dbraw/zinc/87/59/29/572875929.db2.gz ANXNAIOAXKZMNF-JTQLQIEISA-N 2 0 185.315 0.232 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1Cc1cc[nH]c1 257608897 572876093 /nfs/dbraw/zinc/87/60/93/572876093.db2.gz ACPANPRRLBBUDX-GHMZBOCLSA-N 2 0 193.294 0.836 10 0 ACAERP CC[C@H](CN1CC[NH2+]CC1)[NH+](C)C 77272606 572877097 /nfs/dbraw/zinc/87/70/97/572877097.db2.gz ANXNAIOAXKZMNF-SNVBAGLBSA-N 2 0 185.315 0.232 10 0 ACAERP C[C@H](C(N)=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1C 86188911 572877235 /nfs/dbraw/zinc/87/72/35/572877235.db2.gz WXIZTRVPPVKHCJ-BDAKNGLRSA-N 2 0 198.314 0.337 10 0 ACAERP CN(C[C@H]1CCC[N@@H+]1C)C(C)(C)C[NH3+] 86187945 572877297 /nfs/dbraw/zinc/87/72/97/572877297.db2.gz CLCLZKCHNPEIQN-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP CN(C[C@@H]1CCC[N@@H+]1C)C(C)(C)C[NH3+] 86187942 572877311 /nfs/dbraw/zinc/87/73/11/572877311.db2.gz CLCLZKCHNPEIQN-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP COC[C@H](CCC[NH3+])[NH2+]CCCF 308167753 572885261 /nfs/dbraw/zinc/88/52/61/572885261.db2.gz BKEVZRMSLBZQMC-VIFPVBQESA-N 2 0 192.278 0.690 10 0 ACAERP C[C@H](CC[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C 86187866 572877615 /nfs/dbraw/zinc/87/76/15/572877615.db2.gz QKSZKUYWNZKNFX-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP C[NH2+]CCN(C)C[C@H]1CCC[N@@H+]1C 86188381 572877728 /nfs/dbraw/zinc/87/77/28/572877728.db2.gz TXVCNJGQWFYEAX-SNVBAGLBSA-N 2 0 185.315 0.232 10 0 ACAERP CC[N@@H+]1CCC[C@H]1CN(C)CC[NH2+]C 86188510 572877807 /nfs/dbraw/zinc/87/78/07/572877807.db2.gz HMXOUYCTGYFTGE-NSHDSACASA-N 2 0 199.342 0.622 10 0 ACAERP C[NH+](C)CCOCC[NH2+]CC1CC1 231676294 572877893 /nfs/dbraw/zinc/87/78/93/572877893.db2.gz HRQJHALQSNTPPL-UHFFFAOYSA-N 2 0 186.299 0.564 10 0 ACAERP CN(C[C@H]1CCC[N@@H+]1C)CC1([NH3+])CC1 86189375 572877942 /nfs/dbraw/zinc/87/79/42/572877942.db2.gz IAGDTHMAIWXDLC-SNVBAGLBSA-N 2 0 197.326 0.504 10 0 ACAERP C[C@@H](CC[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C 86187864 572877958 /nfs/dbraw/zinc/87/79/58/572877958.db2.gz QKSZKUYWNZKNFX-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CN(CCC(N)=[NH2+])C[C@H]1CCC[N@@H+]1C 86188906 572878046 /nfs/dbraw/zinc/87/80/46/572878046.db2.gz JGDCHTNUNIHFBR-SECBINFHSA-N 2 0 198.314 0.338 10 0 ACAERP C[C@@H](C[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C 86187860 572878051 /nfs/dbraw/zinc/87/80/51/572878051.db2.gz NVIQPLKFANJPRO-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP CN1CCC[C@@H]1C[N@H+](C)CCCC[NH3+] 86187876 572878138 /nfs/dbraw/zinc/87/81/38/572878138.db2.gz WEECIKFHFKPGHH-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP CN(C[C@@H]1CCC[N@@H+]1C)CC1([NH3+])CC1 86189378 572878228 /nfs/dbraw/zinc/87/82/28/572878228.db2.gz IAGDTHMAIWXDLC-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP CC[NH2+]CCN(C)C[C@H]1CCC[N@@H+]1C 86188305 572878239 /nfs/dbraw/zinc/87/82/39/572878239.db2.gz NVPHQUQHVUIBMF-LLVKDONJSA-N 2 0 199.342 0.622 10 0 ACAERP CC[C@H](C[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C 86187874 572878309 /nfs/dbraw/zinc/87/83/09/572878309.db2.gz RGGVYAJWPPXNLS-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP CC[N@@H+]1CCC[C@H]1CN(C)C1C[NH2+]C1 86188816 572878320 /nfs/dbraw/zinc/87/83/20/572878320.db2.gz GORIRMSQVRSVTQ-JTQLQIEISA-N 2 0 197.326 0.374 10 0 ACAERP CC[C@@H](C[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C 86187872 572878495 /nfs/dbraw/zinc/87/84/95/572878495.db2.gz RGGVYAJWPPXNLS-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC1(C[NH2+]CCCOCC[NH3+])CC1 308162190 572878508 /nfs/dbraw/zinc/87/85/08/572878508.db2.gz XJTJSRDFYXXUOG-UHFFFAOYSA-N 2 0 186.299 0.742 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1C 86188307 572878658 /nfs/dbraw/zinc/87/86/58/572878658.db2.gz DBUXTOVANRBWNM-AXFHLTTASA-N 2 0 199.342 0.748 10 0 ACAERP C[C@H](C[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C 86187862 572878879 /nfs/dbraw/zinc/87/88/79/572878879.db2.gz NVIQPLKFANJPRO-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@@H](C(N)=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1C 86188910 572878690 /nfs/dbraw/zinc/87/86/90/572878690.db2.gz WXIZTRVPPVKHCJ-IUCAKERBSA-N 2 0 198.314 0.337 10 0 ACAERP C[NH2+][C@H](C)CN(C)C[C@@H]1CCC[N@@H+]1C 86188363 572878828 /nfs/dbraw/zinc/87/88/28/572878828.db2.gz FVHCPWABXIHUHL-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP CC[N@@H+]1CCC[C@@H]1CN(C)C1C[NH2+]C1 86188814 572879010 /nfs/dbraw/zinc/87/90/10/572879010.db2.gz GORIRMSQVRSVTQ-SNVBAGLBSA-N 2 0 197.326 0.374 10 0 ACAERP CC[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+]1C 86188197 572879060 /nfs/dbraw/zinc/87/90/60/572879060.db2.gz NZUAWHLTRXVAAB-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C[NH3+] 86187904 572879071 /nfs/dbraw/zinc/87/90/71/572879071.db2.gz FFGLVHZMWAERSA-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC(N)=[NH2+] 86188924 572879173 /nfs/dbraw/zinc/87/91/73/572879173.db2.gz RTEBYVWOVNUTNI-SECBINFHSA-N 2 0 198.314 0.338 10 0 ACAERP CN1CCC[C@H]1C[N@H+](C)CCCC[NH3+] 86187878 572879216 /nfs/dbraw/zinc/87/92/16/572879216.db2.gz WEECIKFHFKPGHH-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP C[C@H](C[NH3+])CN(C)C[C@@H]1CCC[N@@H+]1C 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COCC[N@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272815 572904923 /nfs/dbraw/zinc/90/49/23/572904923.db2.gz OXFFZSCWQOEXPK-NXEZZACHSA-N 2 0 186.299 0.563 10 0 ACAERP C[C@@H](C[N@H+](C)CC(C)(C)O)C(N)=[NH2+] 86273898 572904431 /nfs/dbraw/zinc/90/44/31/572904431.db2.gz SZYFSZCQUGPQKL-ZETCQYMHSA-N 2 0 187.287 0.261 10 0 ACAERP C[C@@H](C[NH+](C)C)OC(=O)C(C)(C)[NH3+] 308178685 572905110 /nfs/dbraw/zinc/90/51/10/572905110.db2.gz BSCLAGDDGLXQSQ-ZETCQYMHSA-N 2 0 188.271 0.217 10 0 ACAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)CC(C)(C)O 86273896 572904489 /nfs/dbraw/zinc/90/44/89/572904489.db2.gz QDOMIRUKJVVGNH-ZETCQYMHSA-N 2 0 187.287 0.404 10 0 ACAERP C[C@@H](C[NH3+])C[N@H+](C)CC(C)(C)O 86273524 572904525 /nfs/dbraw/zinc/90/45/25/572904525.db2.gz ODGALTHKYOPMON-QMMMGPOBSA-N 2 0 174.288 0.284 10 0 ACAERP CO[C@@H](C)C[N@H+](C)CC1(C[NH3+])CC1 308178180 572904595 /nfs/dbraw/zinc/90/45/95/572904595.db2.gz BHRXXYGMXPXMNL-VIFPVBQESA-N 2 0 186.299 0.692 10 0 ACAERP C[C@H]([NH3+])c1nnc([C@H]2CCC[NH2+]2)n1C 75845240 572904621 /nfs/dbraw/zinc/90/46/21/572904621.db2.gz NATAFLCJGDBCFT-NKWVEPMBSA-N 2 0 195.270 0.259 10 0 ACAERP C[C@H](C[NH3+])C[N@H+](C)CC(C)(C)O 86273525 572904686 /nfs/dbraw/zinc/90/46/86/572904686.db2.gz ODGALTHKYOPMON-MRVPVSSYSA-N 2 0 174.288 0.284 10 0 ACAERP NC(=[NH2+])c1cc(CC[NH3+])ccc1F 75845626 572904732 /nfs/dbraw/zinc/90/47/32/572904732.db2.gz RGIYKBUOIPYXLW-UHFFFAOYSA-N 2 0 181.214 0.611 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]C[C@@H]1CCOC1 86273082 572904772 /nfs/dbraw/zinc/90/47/72/572904772.db2.gz UBRPWJPTXBOCSQ-DCAQKATOSA-N 2 0 198.310 0.611 10 0 ACAERP CC[N@H+](C[C@H](C)C[NH3+])CC(C)(C)O 86273570 572904824 /nfs/dbraw/zinc/90/48/24/572904824.db2.gz LQXPILSDTBVPBY-SECBINFHSA-N 2 0 188.315 0.674 10 0 ACAERP CC[N@H+](C[C@@H](C)C[NH3+])CC(C)(C)O 86273569 572904843 /nfs/dbraw/zinc/90/48/43/572904843.db2.gz LQXPILSDTBVPBY-VIFPVBQESA-N 2 0 188.315 0.674 10 0 ACAERP C[C@@H]([NH3+])c1nnc([C@H]2CCC[NH2+]2)n1C 75845241 572904967 /nfs/dbraw/zinc/90/49/67/572904967.db2.gz NATAFLCJGDBCFT-RNFRBKRXSA-N 2 0 195.270 0.259 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1CN(C)CC[NH+](C)C 86273173 572905024 /nfs/dbraw/zinc/90/50/24/572905024.db2.gz MLHSLLFZDXWBMB-QWRGUYRKSA-N 2 0 199.342 0.478 10 0 ACAERP [NH3+]C/C=C/C[NH2+]CCc1nccs1 308178827 572905025 /nfs/dbraw/zinc/90/50/25/572905025.db2.gz BVXLTALEBOADKG-OWOJBTEDSA-N 2 0 197.307 0.790 10 0 ACAERP CC[N@H+](CCCC[NH3+])CC(C)(C)O 86273596 572905030 /nfs/dbraw/zinc/90/50/30/572905030.db2.gz BKQZOOGAYHYXSI-UHFFFAOYSA-N 2 0 188.315 0.818 10 0 ACAERP C[C@H]1[NH2+]CC[C@H]1C[NH2+]CC1CC1 86272747 572905600 /nfs/dbraw/zinc/90/56/00/572905600.db2.gz WDXDKVHBBRYTLF-SCZZXKLOSA-N 2 0 168.284 0.984 10 0 ACAERP COCC[NH2+]C[C@H]1CC[NH2+][C@@H]1C 86273075 572905176 /nfs/dbraw/zinc/90/51/76/572905176.db2.gz WFWIMPZPGYYNDX-RKDXNWHRSA-N 2 0 172.272 0.220 10 0 ACAERP Cn1c(N)[nH+]c2c1CC[C@H]([NH+](C)C)C2 75843699 572906316 /nfs/dbraw/zinc/90/63/16/572906316.db2.gz VXCSYZVMTUASPV-ZETCQYMHSA-N 2 0 194.282 0.421 10 0 ACAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]CC1CC1 86272750 572905258 /nfs/dbraw/zinc/90/52/58/572905258.db2.gz WDXDKVHBBRYTLF-WCBMZHEXSA-N 2 0 168.284 0.984 10 0 ACAERP C[NH2+]C(C)(C)C[NH2+]C[C@@H](C)COC 308178702 572905276 /nfs/dbraw/zinc/90/52/76/572905276.db2.gz BSWQGLKPJCULKP-SECBINFHSA-N 2 0 188.315 0.857 10 0 ACAERP C[NH2+]C[C@H](C)C[N@H+](C)CC(C)(C)O 86274722 572905450 /nfs/dbraw/zinc/90/54/50/572905450.db2.gz YJRVJJJZVJOGBS-VIFPVBQESA-N 2 0 188.315 0.545 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]CC1CC1 86272748 572905523 /nfs/dbraw/zinc/90/55/23/572905523.db2.gz WDXDKVHBBRYTLF-WPRPVWTQSA-N 2 0 168.284 0.984 10 0 ACAERP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH3+])[C@@H]1C 50564146 572906616 /nfs/dbraw/zinc/90/66/16/572906616.db2.gz BUCFTBLRSXTNLF-OPRDCNLKSA-N 2 0 186.299 0.426 10 0 ACAERP CO[C@H](C)C[N@H+](C)CC1(C[NH3+])CC1 308178178 572905589 /nfs/dbraw/zinc/90/55/89/572905589.db2.gz BHRXXYGMXPXMNL-SECBINFHSA-N 2 0 186.299 0.692 10 0 ACAERP C[C@H]([NH3+])c1nc2c(s1)C[NH2+]CC2 75845109 572906653 /nfs/dbraw/zinc/90/66/53/572906653.db2.gz NXWUJJBYXZNAKC-YFKPBYRVSA-N 2 0 183.280 0.809 10 0 ACAERP C[C@@H](O)CC[N@H+](C)CCC(C)(C)[NH3+] 308178218 572905624 /nfs/dbraw/zinc/90/56/24/572905624.db2.gz BIWUYOTWDHIVFO-SECBINFHSA-N 2 0 188.315 0.817 10 0 ACAERP COC1(C[NH2+]CCF)CC[NH2+]CC1 308179276 572905635 /nfs/dbraw/zinc/90/56/35/572905635.db2.gz GNAQQIOIYWFQIY-UHFFFAOYSA-N 2 0 190.262 0.314 10 0 ACAERP COCC[NH2+]C[C@@H]1CC[NH2+][C@@H]1C 86273073 572905651 /nfs/dbraw/zinc/90/56/51/572905651.db2.gz WFWIMPZPGYYNDX-BDAKNGLRSA-N 2 0 172.272 0.220 10 0 ACAERP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]C[C@@H]1CCOC1 86273084 572905702 /nfs/dbraw/zinc/90/57/02/572905702.db2.gz UBRPWJPTXBOCSQ-GARJFASQSA-N 2 0 198.310 0.611 10 0 ACAERP C[NH2+]C(C)(C)C[NH2+]C[C@H](C)COC 308178708 572905714 /nfs/dbraw/zinc/90/57/14/572905714.db2.gz BSWQGLKPJCULKP-VIFPVBQESA-N 2 0 188.315 0.857 10 0 ACAERP C[NH2+]C[C@@H](C)C[N@H+](C)CC(C)(C)O 86274723 572905751 /nfs/dbraw/zinc/90/57/51/572905751.db2.gz YJRVJJJZVJOGBS-SECBINFHSA-N 2 0 188.315 0.545 10 0 ACAERP COCC[NH2+]C[C@H]1CC[NH2+][C@H]1C 86273076 572905768 /nfs/dbraw/zinc/90/57/68/572905768.db2.gz WFWIMPZPGYYNDX-DTWKUNHWSA-N 2 0 172.272 0.220 10 0 ACAERP Cc1ccc(C(N)=[NH2+])cc1CC[NH3+] 75845636 572905845 /nfs/dbraw/zinc/90/58/45/572905845.db2.gz RHMQSBKAFLFLDS-UHFFFAOYSA-N 2 0 177.251 0.780 10 0 ACAERP CCN(C)CC[NH2+][C@@H](C)CCC[NH3+] 308183631 572906220 /nfs/dbraw/zinc/90/62/20/572906220.db2.gz DTZGQSKBYLZAJM-JTQLQIEISA-N 2 0 187.331 0.655 10 0 ACAERP CC(C)[C@H](C[NH3+])[C@@H](O)[C@@H]1C=CC[NH2+]1 308183642 572906227 /nfs/dbraw/zinc/90/62/27/572906227.db2.gz ILUYVJHYRZNPSV-LPEHRKFASA-N 2 0 184.283 0.106 10 0 ACAERP C[C@@H](CCC[NH3+])[N@@H+]1CC[C@](C)(O)C1 308180787 572906232 /nfs/dbraw/zinc/90/62/32/572906232.db2.gz CKXMZBPWVYMUDT-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP NC(=[NH2+])c1ccc(F)c(CC[NH3+])c1 75845629 572906267 /nfs/dbraw/zinc/90/62/67/572906267.db2.gz URZNEKOZKDWEOV-UHFFFAOYSA-N 2 0 181.214 0.611 10 0 ACAERP C[C@@H]([NH3+])c1nnc([C@@H]2CCC[NH2+]2)n1C 75845239 572906287 /nfs/dbraw/zinc/90/62/87/572906287.db2.gz NATAFLCJGDBCFT-RQJHMYQMSA-N 2 0 195.270 0.259 10 0 ACAERP C[C@H]([NH3+])c1nnc([C@@H]2CCC[NH2+]2)n1C 75845238 572906424 /nfs/dbraw/zinc/90/64/24/572906424.db2.gz NATAFLCJGDBCFT-BQBZGAKWSA-N 2 0 195.270 0.259 10 0 ACAERP CC(C)[C@H](C[NH3+])[C@H](O)[C@H]1C=CC[NH2+]1 308183625 572906471 /nfs/dbraw/zinc/90/64/71/572906471.db2.gz ILUYVJHYRZNPSV-AEJSXWLSSA-N 2 0 184.283 0.106 10 0 ACAERP Cc1ccc(C(N)=[NH2+])cc1C(N)=[NH2+] 75848015 572906520 /nfs/dbraw/zinc/90/65/20/572906520.db2.gz SXAZQVXWMZNNKZ-UHFFFAOYSA-N 2 0 176.223 0.563 10 0 ACAERP NC(=[NH2+])c1ccc(F)c(C[NH3+])c1 75844975 572906751 /nfs/dbraw/zinc/90/67/51/572906751.db2.gz ZTFMQACDOWSIFR-UHFFFAOYSA-N 2 0 167.187 0.568 10 0 ACAERP CC(C)[C@H](C[NH3+])[C@H](O)[C@@H]1C=CC[NH2+]1 308183630 572906763 /nfs/dbraw/zinc/90/67/63/572906763.db2.gz ILUYVJHYRZNPSV-GUBZILKMSA-N 2 0 184.283 0.106 10 0 ACAERP C[NH2+]C[C@@H](C)[C@H](C)N1CC[NH+](C)CC1 86311117 572910259 /nfs/dbraw/zinc/91/02/59/572910259.db2.gz XRUPNAGUOOCCSY-MNOVXSKESA-N 2 0 199.342 0.478 10 0 ACAERP CC[N@H+](CCCO)CCC(C)(C)[NH3+] 308183020 572906817 /nfs/dbraw/zinc/90/68/17/572906817.db2.gz DKPKBDKMWPBAOJ-UHFFFAOYSA-N 2 0 188.315 0.818 10 0 ACAERP Cc1ccc(C(N)=[NH2+])cc1C[NH3+] 75844982 572906871 /nfs/dbraw/zinc/90/68/71/572906871.db2.gz IAPGAEFAZVXHPR-UHFFFAOYSA-N 2 0 163.224 0.738 10 0 ACAERP C[C@@H]([NH3+])c1nc2c(s1)C[NH2+]CC2 75845110 572907003 /nfs/dbraw/zinc/90/70/03/572907003.db2.gz NXWUJJBYXZNAKC-RXMQYKEDSA-N 2 0 183.280 0.809 10 0 ACAERP C[NH2+]C(C)(C)C[NH2+][C@H](C)C[C@@H](C)O 308183170 572906914 /nfs/dbraw/zinc/90/69/14/572906914.db2.gz DQWUPAWZSLOGND-RKDXNWHRSA-N 2 0 188.315 0.733 10 0 ACAERP NC(=[NH2+])c1ccc(F)c(C(N)=[NH2+])c1 75848005 572906925 /nfs/dbraw/zinc/90/69/25/572906925.db2.gz HOSMHNIQDUNTOA-UHFFFAOYSA-N 2 0 180.186 0.394 10 0 ACAERP CC(C)[C@H](C[NH3+])[C@@H](O)[C@H]1C=CC[NH2+]1 308183636 572907145 /nfs/dbraw/zinc/90/71/45/572907145.db2.gz ILUYVJHYRZNPSV-IVZWLZJFSA-N 2 0 184.283 0.106 10 0 ACAERP CC[N@H+](CC1C[NH2+]C1)[C@@H]1CCOC1 308183705 572907303 /nfs/dbraw/zinc/90/73/03/572907303.db2.gz DWVGYSMUUINVKQ-SNVBAGLBSA-N 2 0 184.283 0.317 10 0 ACAERP C[C@H](CCC[NH3+])[N@@H+]1CC[C@](C)(O)C1 308180789 572907323 /nfs/dbraw/zinc/90/73/23/572907323.db2.gz CKXMZBPWVYMUDT-ZJUUUORDSA-N 2 0 186.299 0.571 10 0 ACAERP CC(C)N1C=[NH+][C@@H]2CC[C@H]([NH3+])C[C@H]21 250493942 572907372 /nfs/dbraw/zinc/90/73/72/572907372.db2.gz IIESHXSCVOHMQT-IVZWLZJFSA-N 2 0 181.283 0.987 10 0 ACAERP C[C@H](CCC[NH3+])[N@@H+]1CC[C@@](C)(O)C1 308180786 572907437 /nfs/dbraw/zinc/90/74/37/572907437.db2.gz CKXMZBPWVYMUDT-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP CCN(C)CC[NH2+][C@H](C)CCC[NH3+] 308183633 572907484 /nfs/dbraw/zinc/90/74/84/572907484.db2.gz DTZGQSKBYLZAJM-SNVBAGLBSA-N 2 0 187.331 0.655 10 0 ACAERP CC[N@H+](CC1C[NH2+]C1)[C@H]1CCOC1 308183704 572907554 /nfs/dbraw/zinc/90/75/54/572907554.db2.gz DWVGYSMUUINVKQ-JTQLQIEISA-N 2 0 184.283 0.317 10 0 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0 ACAERP C[NH+](C)CCCCN[C@@H]1CC[NH2+]C1 86729628 572974352 /nfs/dbraw/zinc/97/43/52/572974352.db2.gz OSEZZNVEIZSTHV-SNVBAGLBSA-N 2 0 185.315 0.280 10 0 ACAERP CC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2)C1 86728186 572974184 /nfs/dbraw/zinc/97/41/84/572974184.db2.gz WXPSXZTZPGMEME-WDEREUQCSA-N 2 0 197.326 0.280 10 0 ACAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C 86729026 572974204 /nfs/dbraw/zinc/97/42/04/572974204.db2.gz MAAFEXYTVIOIAW-WHXUTIOJSA-N 2 0 199.342 0.796 10 0 ACAERP COC1(CN2CCC[C@H]([NH3+])C2)CCC1 234654360 572974293 /nfs/dbraw/zinc/97/42/93/572974293.db2.gz MNUMJILIQJFDJS-JTQLQIEISA-N 2 0 198.310 0.979 10 0 ACAERP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[NH2+]C1 86729288 572974410 /nfs/dbraw/zinc/97/44/10/572974410.db2.gz KZOMXDDEETVYNZ-GHMZBOCLSA-N 2 0 197.326 0.422 10 0 ACAERP C[C@H](C[NH+]1CCCC1)N[C@H]1CC[NH2+]C1 86729291 572974480 /nfs/dbraw/zinc/97/44/80/572974480.db2.gz KZOMXDDEETVYNZ-MNOVXSKESA-N 2 0 197.326 0.422 10 0 ACAERP C[NH+](C)C(C)(C)CN[C@@H]1CC[NH2+]C1 86725208 572974645 /nfs/dbraw/zinc/97/46/45/572974645.db2.gz FDIYARYFWAVHSS-SECBINFHSA-N 2 0 185.315 0.278 10 0 ACAERP CCOCC[NH2+]C1CCC([NH3+])CC1 86726617 572974702 /nfs/dbraw/zinc/97/47/02/572974702.db2.gz MSDJJFIUYVPXLB-UHFFFAOYSA-N 2 0 186.299 0.882 10 0 ACAERP C[C@@H]1CC[N@H+](C[C@H]2CO[C@@H](C[NH3+])C2)C1 713808421 572974748 /nfs/dbraw/zinc/97/47/48/572974748.db2.gz CAGGNLMMMRITRH-OUAUKWLOSA-N 2 0 198.310 0.692 10 0 ACAERP COCC[NH2+]C1CCC([NH3+])CC1 86724261 572974749 /nfs/dbraw/zinc/97/47/49/572974749.db2.gz VQJUFYBSQGAOAX-UHFFFAOYSA-N 2 0 172.272 0.492 10 0 ACAERP CC(C)[C@@H](CN[C@@H]1CC[NH2+]C1)[NH+](C)C 86725470 572974955 /nfs/dbraw/zinc/97/49/55/572974955.db2.gz ZBLMDSNESKDVKW-GHMZBOCLSA-N 2 0 199.342 0.524 10 0 ACAERP CC(C)[C@H](CN[C@H]1CC[NH2+]C1)[NH+](C)C 86725477 572974964 /nfs/dbraw/zinc/97/49/64/572974964.db2.gz ZBLMDSNESKDVKW-QWRGUYRKSA-N 2 0 199.342 0.524 10 0 ACAERP C[C@@H](C[NH+]1CCCC1)N[C@H]1CC[NH2+]C1 86729290 572974990 /nfs/dbraw/zinc/97/49/90/572974990.db2.gz KZOMXDDEETVYNZ-QWRGUYRKSA-N 2 0 197.326 0.422 10 0 ACAERP [NH3+]C1CCC([NH2+]C[C@@H](O)C2CC2)CC1 86730059 572975055 /nfs/dbraw/zinc/97/50/55/572975055.db2.gz YBTMDMOJGIBPDX-VQXHTEKXSA-N 2 0 198.310 0.617 10 0 ACAERP C[C@@H](CO)C[NH2+]C1CCC([NH3+])CC1 86730565 572975087 /nfs/dbraw/zinc/97/50/87/572975087.db2.gz HXQKZQFETQPXIF-XNWIYYODSA-N 2 0 186.299 0.474 10 0 ACAERP C[C@@H]1CC[N@H+](C[C@@H]2CO[C@@H](C[NH3+])C2)C1 713808418 572975137 /nfs/dbraw/zinc/97/51/37/572975137.db2.gz CAGGNLMMMRITRH-GMTAPVOTSA-N 2 0 198.310 0.692 10 0 ACAERP C[C@H](O)CC[NH2+]C1CCC([NH3+])CC1 86730513 572975150 /nfs/dbraw/zinc/97/51/50/572975150.db2.gz ZNSDVIROMWYXAT-IDKOKCKLSA-N 2 0 186.299 0.617 10 0 ACAERP [NH3+]C1CCC([NH2+]CCCO)CC1 86725572 572975180 /nfs/dbraw/zinc/97/51/80/572975180.db2.gz PIHSPOFZUGLHQV-UHFFFAOYSA-N 2 0 172.272 0.228 10 0 ACAERP CC(C)[C@@H](C[NH+](C)C)N[C@@H]1CC[NH2+]C1 86729319 572975196 /nfs/dbraw/zinc/97/51/96/572975196.db2.gz JTSLLSZEPJSHJC-GHMZBOCLSA-N 2 0 199.342 0.524 10 0 ACAERP CC(C)[C@H](C[NH+](C)C)N[C@H]1CC[NH2+]C1 86729325 572975235 /nfs/dbraw/zinc/97/52/35/572975235.db2.gz JTSLLSZEPJSHJC-QWRGUYRKSA-N 2 0 199.342 0.524 10 0 ACAERP C[C@@H]1CC[N@H+](C[C@H]2CO[C@H](C[NH3+])C2)C1 713808424 572975219 /nfs/dbraw/zinc/97/52/19/572975219.db2.gz CAGGNLMMMRITRH-VWYCJHECSA-N 2 0 198.310 0.692 10 0 ACAERP C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[NH2+]C1 86729286 572975239 /nfs/dbraw/zinc/97/52/39/572975239.db2.gz KZOMXDDEETVYNZ-WDEREUQCSA-N 2 0 197.326 0.422 10 0 ACAERP NC(=O)CCC[NH2+]C1CCC([NH3+])CC1 86728249 572975225 /nfs/dbraw/zinc/97/52/25/572975225.db2.gz QIHQSDZSVCSOQJ-UHFFFAOYSA-N 2 0 199.298 0.111 10 0 ACAERP [NH3+]C1CCC([NH2+]C[C@H](O)C2CC2)CC1 86730060 572975243 /nfs/dbraw/zinc/97/52/43/572975243.db2.gz YBTMDMOJGIBPDX-ILDUYXDCSA-N 2 0 198.310 0.617 10 0 ACAERP CC(C)[C@H](C[NH+](C)C)N[C@@H]1CC[NH2+]C1 86729320 572975270 /nfs/dbraw/zinc/97/52/70/572975270.db2.gz JTSLLSZEPJSHJC-MNOVXSKESA-N 2 0 199.342 0.524 10 0 ACAERP C1CC[NH+](CCN[C@H]2CC[NH2+]C2)C1 86725251 572975276 /nfs/dbraw/zinc/97/52/76/572975276.db2.gz YFFIVFYQWNFGDY-JTQLQIEISA-N 2 0 183.299 0.034 10 0 ACAERP C[NH+](C)CCC[NH2+]C1CCC([NH3+])CC1 86724901 572975301 /nfs/dbraw/zinc/97/53/01/572975301.db2.gz VBJZTKLCVIAMIA-UHFFFAOYSA-N 3 0 199.342 0.798 10 0 ACAERP COC1(CN2CCC[C@@H]([NH3+])C2)CCC1 234654161 572975314 /nfs/dbraw/zinc/97/53/14/572975314.db2.gz MNUMJILIQJFDJS-SNVBAGLBSA-N 2 0 198.310 0.979 10 0 ACAERP CC(C)[C@H](CN[C@@H]1CC[NH2+]C1)[NH+](C)C 86725473 572975331 /nfs/dbraw/zinc/97/53/31/572975331.db2.gz ZBLMDSNESKDVKW-MNOVXSKESA-N 2 0 199.342 0.524 10 0 ACAERP C[NH+](C)CC(C)(C)CN[C@H]1CC[NH2+]C1 86724541 572975346 /nfs/dbraw/zinc/97/53/46/572975346.db2.gz OXQDCIWKRBKDFM-JTQLQIEISA-N 2 0 199.342 0.526 10 0 ACAERP C[NH+](C)C(C)(C)CN[C@H]1CC[NH2+]C1 86725212 572975361 /nfs/dbraw/zinc/97/53/61/572975361.db2.gz FDIYARYFWAVHSS-VIFPVBQESA-N 2 0 185.315 0.278 10 0 ACAERP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CC2)C1 51691777 572975714 /nfs/dbraw/zinc/97/57/14/572975714.db2.gz RBYHLYAAJBBGJV-MRVPVSSYSA-N 2 0 196.298 0.214 10 0 ACAERP CCC[N@H+](C)C[C@H]1CO[C@H](C[NH3+])C1 713810874 572976970 /nfs/dbraw/zinc/97/69/70/572976970.db2.gz KQVKRNXFMPFBCF-UWVGGRQHSA-N 2 0 186.299 0.692 10 0 ACAERP [NH3+]C[C@@H]1C[C@@H](C[NH+]2CCCCC2)CO1 713809370 572975788 /nfs/dbraw/zinc/97/57/88/572975788.db2.gz GFMAAFUYHMOVEC-QWRGUYRKSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]C[C@H]1C[C@@H](C[NH+]2CCCCC2)CO1 713809377 572976548 /nfs/dbraw/zinc/97/65/48/572976548.db2.gz GFMAAFUYHMOVEC-WDEREUQCSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]C[C@H]1C[C@H](C[NH+]2CCCCC2)CO1 713809368 572976573 /nfs/dbraw/zinc/97/65/73/572976573.db2.gz GFMAAFUYHMOVEC-GHMZBOCLSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+][C@@H]1CCN(CCCOCC2CC2)C1 236303889 572976719 /nfs/dbraw/zinc/97/67/19/572976719.db2.gz WKHNEAIYVLJSNJ-LLVKDONJSA-N 2 0 198.310 0.836 10 0 ACAERP CCC[N@H+](C)C[C@@H]1CO[C@@H](C[NH3+])C1 713810864 572977371 /nfs/dbraw/zinc/97/73/71/572977371.db2.gz KQVKRNXFMPFBCF-NXEZZACHSA-N 2 0 186.299 0.692 10 0 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C1CS[C@@]2(CC[NH2+]C2)C[NH2+]1 59711654 572978538 /nfs/dbraw/zinc/97/85/38/572978538.db2.gz RYZGBUNPOHVKEH-SSDOTTSWSA-N 2 0 158.270 0.055 10 0 ACAERP CC[N@@H+]1CC[C@@]2(CCC[C@@H](C[NH3+])O2)C1 686235333 572978926 /nfs/dbraw/zinc/97/89/26/572978926.db2.gz QNNGIVKASBKJSD-QWRGUYRKSA-N 2 0 198.310 0.979 10 0 ACAERP [NH3+]C[C@H]1C[C@@H](C[NH+]2CC=CC2)CO1 713813762 572979598 /nfs/dbraw/zinc/97/95/98/572979598.db2.gz UOOZLUORPYMJEE-VHSXEESVSA-N 2 0 182.267 0.222 10 0 ACAERP CC[C@](C)([NH3+])CN(C)CC[NH+](C)C 86810419 572982610 /nfs/dbraw/zinc/98/26/10/572982610.db2.gz MVABEDMQOKEMSO-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP C[C@H](O)C[N@H+](C)CCCC(N)=[NH2+] 51820774 572979951 /nfs/dbraw/zinc/97/99/51/572979951.db2.gz OFHCHPAVFYVMQC-ZETCQYMHSA-N 2 0 173.260 0.015 10 0 ACAERP CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H]2C[NH3+])C1 299909872 572979955 /nfs/dbraw/zinc/97/99/55/572979955.db2.gz LBWNNPVHQMSOPB-MXWKQRLJSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@H](O)C[N@H+](C)CCCC[NH3+] 51818735 572980043 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573012155 /nfs/dbraw/zinc/01/21/55/573012155.db2.gz HEHJHBNFNXJYRS-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP CC(C)(C)[NH2+]C[C@@]1(C)COC[C@H]1[NH3+] 85396164 573012204 /nfs/dbraw/zinc/01/22/04/573012204.db2.gz VJFTZWMIURDHTF-SCZZXKLOSA-N 2 0 186.299 0.738 10 0 ACAERP C[NH2+]Cc1cnc(C[C@@H]2CCC[NH2+]2)o1 258221852 573012213 /nfs/dbraw/zinc/01/22/13/573012213.db2.gz VBAXUPBWHZQZFT-QMMMGPOBSA-N 2 0 195.266 0.689 10 0 ACAERP C[C@]1(C[NH2+]C2CC2)COC[C@H]1[NH3+] 85396195 573012216 /nfs/dbraw/zinc/01/22/16/573012216.db2.gz XRYQRMMOFTTZLN-BDAKNGLRSA-N 2 0 170.256 0.102 10 0 ACAERP CC(C)(C[NH3+])[C@]1(O)CC[N@@H+]2CCC[C@@H]21 123433948 573012406 /nfs/dbraw/zinc/01/24/06/573012406.db2.gz YRRGLDZOKPVFEJ-KOLCDFICSA-N 2 0 198.310 0.571 10 0 ACAERP CC(C)[NH2+]C[C@]1(C)COC[C@H]1[NH3+] 85396172 573012422 /nfs/dbraw/zinc/01/24/22/573012422.db2.gz ONNXSEHRTWJXDU-RKDXNWHRSA-N 2 0 172.272 0.348 10 0 ACAERP CO[C@H](C)C[N@H+](C)C[C@@H]1CC[NH2+]C1 308223238 573012845 /nfs/dbraw/zinc/01/28/45/573012845.db2.gz 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/nfs/dbraw/zinc/01/33/25/573013325.db2.gz CCGPQAKBSLSJIG-UHFFFAOYSA-N 2 0 195.310 0.154 10 0 ACAERP C[C@@]1(C[NH2+]C2CCC2)COC[C@H]1[NH3+] 85396512 573013484 /nfs/dbraw/zinc/01/34/84/573013484.db2.gz YLIUKYIQGAAYDE-NXEZZACHSA-N 2 0 184.283 0.492 10 0 ACAERP C[C@@H]([NH3+])C1=CCC[NH2+]C1 257922848 573013412 /nfs/dbraw/zinc/01/34/12/573013412.db2.gz CCAAUASPNLINET-ZCFIWIBFSA-N 2 0 126.203 0.253 10 0 ACAERP CC(C)(C[NH3+])[C@@]1(O)CC[N@@H+]2CCC[C@@H]21 123434132 573013446 /nfs/dbraw/zinc/01/34/46/573013446.db2.gz YRRGLDZOKPVFEJ-MWLCHTKSSA-N 2 0 198.310 0.571 10 0 ACAERP C[C@]1(C[NH2+]C2CCCC2)COC[C@@H]1[NH3+] 85396204 573013500 /nfs/dbraw/zinc/01/35/00/573013500.db2.gz STUQVABDSXIGIO-QWRGUYRKSA-N 2 0 198.310 0.882 10 0 ACAERP OC[C@@H](C[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 258217715 573013603 /nfs/dbraw/zinc/01/36/03/573013603.db2.gz QOLMRIJLAZQBGB-GHMZBOCLSA-N 2 0 198.310 0.300 10 0 ACAERP C[C@@H]([NH3+])CC[C@@H]([NH3+])CF 104562059 573013616 /nfs/dbraw/zinc/01/36/16/573013616.db2.gz 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C[C@@H]1C[NH2+]CC[NH2+][C@@H]1C 104619947 573078281 /nfs/dbraw/zinc/07/82/81/573078281.db2.gz DCMWQMSSHJDXIA-RNFRBKRXSA-N 2 0 128.219 0.204 10 0 ACAERP C[NH2+]C1[C@H](C)C[NH2+]C[C@H]1C 104616657 573079374 /nfs/dbraw/zinc/07/93/74/573079374.db2.gz YPSXMDISEKEGKH-RNFRBKRXSA-N 2 0 142.246 0.450 10 0 ACAERP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CO)CC1 215049653 573078607 /nfs/dbraw/zinc/07/86/07/573078607.db2.gz UACYFASIESLXEW-VHSXEESVSA-N 2 0 186.299 0.426 10 0 ACAERP CC[C@H]1C[NH2+]CC[C@@H]1[NH2+]C 104618186 573078616 /nfs/dbraw/zinc/07/86/16/573078616.db2.gz JSYULFBQUYEKLN-YUMQZZPRSA-N 2 0 142.246 0.594 10 0 ACAERP CC(C)[N@@H+]1C[C@@](N)(CCO)C[C@@H]1C 215050392 573078660 /nfs/dbraw/zinc/07/86/60/573078660.db2.gz PLYNNBFLPSRWBW-VHSXEESVSA-N 2 0 186.299 0.569 10 0 ACAERP CC(C)[N@H+]1CC[C@H](CO)[C@H]([NH3+])CC1 215049600 573078724 /nfs/dbraw/zinc/07/87/24/573078724.db2.gz UACYFASIESLXEW-NXEZZACHSA-N 2 0 186.299 0.426 10 0 ACAERP C1=C[C@@H]([C@H]2CCC[NH2+]2)[NH2+]C1 104616243 573078826 /nfs/dbraw/zinc/07/88/26/573078826.db2.gz DIQSWCISNGCRFN-JGVFFNPUSA-N 2 0 138.214 0.266 10 0 ACAERP CC[C@H]1N(C)CCC[C@@]1([NH3+])CCO 215050153 573078857 /nfs/dbraw/zinc/07/88/57/573078857.db2.gz NWHTUAMGYUPQFT-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP [NH3+]CCC[NH2+]Cc1cc[nH]c1 85579323 573078904 /nfs/dbraw/zinc/07/89/04/573078904.db2.gz ITKHKNWLPWVCQY-UHFFFAOYSA-N 2 0 153.229 0.453 10 0 ACAERP C[C@@H]([NH2+]C1CC1)[C@@H]1CC[NH2+]C1 114466764 573078921 /nfs/dbraw/zinc/07/89/21/573078921.db2.gz SJWLEMZTEZUPSM-HTQZYQBOSA-N 2 0 154.257 0.736 10 0 ACAERP CC[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238271067 573078944 /nfs/dbraw/zinc/07/89/44/573078944.db2.gz KXKUCKIEIRLGGM-CHWFTXMASA-N 2 0 198.310 0.711 10 0 ACAERP C[C@@H](O)CN(C)[C@@H]1CCC[NH2+]C1 82499773 573079093 /nfs/dbraw/zinc/07/90/93/573079093.db2.gz FSZONOAZRUTPIN-RKDXNWHRSA-N 2 0 172.272 0.051 10 0 ACAERP Cn1ccnc1Cn1cccc1C[NH3+] 85581342 573079142 /nfs/dbraw/zinc/07/91/42/573079142.db2.gz UHCXCLGKNTWCFU-UHFFFAOYSA-N 2 0 190.250 0.729 10 0 ACAERP C[C@@H]1[NH2+]CC[NH2+]C[C@H]1C 104619954 573079150 /nfs/dbraw/zinc/07/91/50/573079150.db2.gz DCMWQMSSHJDXIA-RQJHMYQMSA-N 2 0 128.219 0.204 10 0 ACAERP C1=CC[NH+](CC2CC[NH2+]CC2)C1 114457050 573079241 /nfs/dbraw/zinc/07/92/41/573079241.db2.gz BTMJARSZKWBGLJ-UHFFFAOYSA-N 2 0 166.268 0.858 10 0 ACAERP C[C@@H]([NH2+]C1CC1)[C@H]1CC[NH2+]C1 114466767 573079371 /nfs/dbraw/zinc/07/93/71/573079371.db2.gz SJWLEMZTEZUPSM-SFYZADRCSA-N 2 0 154.257 0.736 10 0 ACAERP C[C@H]1C[NH2+]CC[NH2+][C@@H]1C 104619950 573079508 /nfs/dbraw/zinc/07/95/08/573079508.db2.gz DCMWQMSSHJDXIA-NKWVEPMBSA-N 2 0 128.219 0.204 10 0 ACAERP C[NH2+]C/C(C)=C/C[NH+](C)C 104617211 573079655 /nfs/dbraw/zinc/07/96/55/573079655.db2.gz PCJWZVKGJMAFII-VMPITWQZSA-N 2 0 142.246 0.714 10 0 ACAERP C[NH2+]C1[C@@H](C)C[NH2+]C[C@@H]1C 104616652 573079724 /nfs/dbraw/zinc/07/97/24/573079724.db2.gz YPSXMDISEKEGKH-BQBZGAKWSA-N 2 0 142.246 0.450 10 0 ACAERP CO[C@@H]1C[C@@H](C[NH3+])N(CCCF)C1 308254500 573079733 /nfs/dbraw/zinc/07/97/33/573079733.db2.gz IBFHWZCAPIWQRL-DTWKUNHWSA-N 2 0 190.262 0.394 10 0 ACAERP C[C@@H]1C[NH2+]CCCC[NH2+]1 104619960 573079737 /nfs/dbraw/zinc/07/97/37/573079737.db2.gz VDWFXMJBIIJNGK-SSDOTTSWSA-N 2 0 128.219 0.348 10 0 ACAERP Cc1cnn(CC[NH2+]C[C@@H](C)C[NH3+])c1 308492010 573079855 /nfs/dbraw/zinc/07/98/55/573079855.db2.gz AEQMMJNNGOCZRZ-VIFPVBQESA-N 2 0 196.298 0.376 10 0 ACAERP C[C@@H]1C[C@]([NH3+])(CCO)C(C)(C)[N@@H+]1C 215049718 573079885 /nfs/dbraw/zinc/07/98/85/573079885.db2.gz SFVBLKOVGCHPIR-PSASIEDQSA-N 2 0 186.299 0.569 10 0 ACAERP [NH3+]CCC[N@@H+]1CCC2(CC2)[C@@H](O)C1 114479779 573079977 /nfs/dbraw/zinc/07/99/77/573079977.db2.gz FJEDNMZGKKFHNX-VIFPVBQESA-N 2 0 184.283 0.182 10 0 ACAERP C[C@H]1C[NH2+]CC[NH2+][C@H]1C 104619957 573080150 /nfs/dbraw/zinc/08/01/50/573080150.db2.gz DCMWQMSSHJDXIA-BQBZGAKWSA-N 2 0 128.219 0.204 10 0 ACAERP C[NH+](C)C(C)(C)[C@H]1CC[NH2+]C1 114470510 573080291 /nfs/dbraw/zinc/08/02/91/573080291.db2.gz SDTCEZGTCOLGDA-QMMMGPOBSA-N 2 0 156.273 0.936 10 0 ACAERP C1=CC[NH+](CC[C@H]2CC[NH2+]C2)C1 114457133 573080370 /nfs/dbraw/zinc/08/03/70/573080370.db2.gz JTLGYWSOMDMMGY-SNVBAGLBSA-N 2 0 166.268 0.858 10 0 ACAERP CN(CC(C)(C)O)[C@H]1CCC[NH2+]C1 82499943 573080646 /nfs/dbraw/zinc/08/06/46/573080646.db2.gz JOGHRVCAHIEAMN-VIFPVBQESA-N 2 0 186.299 0.441 10 0 ACAERP C1=CC[NH+](C[C@@H]2CCC[NH2+]C2)C1 114457047 573080494 /nfs/dbraw/zinc/08/04/94/573080494.db2.gz QOLSEDJSNNHVCY-SNVBAGLBSA-N 2 0 166.268 0.858 10 0 ACAERP CC(C)[N@@H+]1C[C@](N)(CCO)C[C@@H]1C 215050478 573080594 /nfs/dbraw/zinc/08/05/94/573080594.db2.gz PLYNNBFLPSRWBW-UWVGGRQHSA-N 2 0 186.299 0.569 10 0 ACAERP CC(C)[NH2+]CCN1C[C@@H](O)C2(CC2)C1 308490778 573080638 /nfs/dbraw/zinc/08/06/38/573080638.db2.gz BMYJJWBNMMJDKY-SNVBAGLBSA-N 2 0 198.310 0.441 10 0 ACAERP CC[C@@H]1N(C)CCC[C@]1([NH3+])CCO 215050277 573080748 /nfs/dbraw/zinc/08/07/48/573080748.db2.gz NWHTUAMGYUPQFT-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP CN1CCC[N@H+](C[C@@H]2C[C@@H]2C[NH3+])CC1 715123091 573080787 /nfs/dbraw/zinc/08/07/87/573080787.db2.gz ZYVOHJSOISFZDH-MNOVXSKESA-N 2 0 197.326 0.219 10 0 ACAERP C1=C[C@H]([C@H]2CCC[NH2+]2)[NH2+]C1 104616250 573080896 /nfs/dbraw/zinc/08/08/96/573080896.db2.gz DIQSWCISNGCRFN-HTQZYQBOSA-N 2 0 138.214 0.266 10 0 ACAERP CN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@@H]1O 82499513 573081033 /nfs/dbraw/zinc/08/10/33/573081033.db2.gz YPEJVTLLCJAAOY-MXWKQRLJSA-N 2 0 198.310 0.584 10 0 ACAERP CN(Cc1c[nH]cn1)[C@H]1CCC[NH2+]C1 82499705 573081469 /nfs/dbraw/zinc/08/14/69/573081469.db2.gz SXNOXSNWHINCRS-JTQLQIEISA-N 2 0 194.282 0.594 10 0 ACAERP C[C@H](C[NH3+])C[NH2+][C@H](C)c1cnn(C)c1 308492235 573081602 /nfs/dbraw/zinc/08/16/02/573081602.db2.gz AGCVCEZHFGLYPB-RKDXNWHRSA-N 2 0 196.298 0.666 10 0 ACAERP Cn1cncc1Cn1cccc1C[NH3+] 85581835 573081615 /nfs/dbraw/zinc/08/16/15/573081615.db2.gz ZLRGDLMWTUAMBR-UHFFFAOYSA-N 2 0 190.250 0.729 10 0 ACAERP [NH3+]CCC[N@@H+]1CCC2(CC2)[C@H](O)C1 114479777 573081677 /nfs/dbraw/zinc/08/16/77/573081677.db2.gz FJEDNMZGKKFHNX-SECBINFHSA-N 2 0 184.283 0.182 10 0 ACAERP C[C@H]1C[C@]([NH3+])(CCO)C(C)(C)[N@@H+]1C 215049768 573081696 /nfs/dbraw/zinc/08/16/96/573081696.db2.gz SFVBLKOVGCHPIR-WCBMZHEXSA-N 2 0 186.299 0.569 10 0 ACAERP C[NH2+]C(C)(C)[C@@H]1CC[NH2+]C1 114470645 573081719 /nfs/dbraw/zinc/08/17/19/573081719.db2.gz UPANAYQNWIZQDG-SSDOTTSWSA-N 2 0 142.246 0.594 10 0 ACAERP CC[C@H]([NH2+]C)[C@H]1CC[NH2+]C1 114470615 573081786 /nfs/dbraw/zinc/08/17/86/573081786.db2.gz GSNOCHCMGISTJB-YUMQZZPRSA-N 2 0 142.246 0.594 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cnn(C)c1 308492233 573081857 /nfs/dbraw/zinc/08/18/57/573081857.db2.gz AGCVCEZHFGLYPB-IUCAKERBSA-N 2 0 196.298 0.666 10 0 ACAERP Nc1ccsc1C[NH2+]CCC[NH3+] 85572142 573081914 /nfs/dbraw/zinc/08/19/14/573081914.db2.gz AOELGGCJHPHYHF-UHFFFAOYSA-N 2 0 185.296 0.769 10 0 ACAERP CC(C)[N@@H+]1C[C@@](N)(CCO)C[C@H]1C 215050348 573081919 /nfs/dbraw/zinc/08/19/19/573081919.db2.gz PLYNNBFLPSRWBW-NXEZZACHSA-N 2 0 186.299 0.569 10 0 ACAERP CN1CCC[N@H+](C[C@H]2C[C@H]2C[NH3+])CC1 715123093 573082317 /nfs/dbraw/zinc/08/23/17/573082317.db2.gz ZYVOHJSOISFZDH-WDEREUQCSA-N 2 0 197.326 0.219 10 0 ACAERP CN1CCC[N@H+](C[C@H]2C[C@@H]2C[NH3+])CC1 715123090 573082328 /nfs/dbraw/zinc/08/23/28/573082328.db2.gz ZYVOHJSOISFZDH-GHMZBOCLSA-N 2 0 197.326 0.219 10 0 ACAERP C[C@@H](CCC[NH+](C)C)[NH2+]C[C@@H](C)O 308252523 573082426 /nfs/dbraw/zinc/08/24/26/573082426.db2.gz IMWQNBTWNRLOQC-VHSXEESVSA-N 2 0 188.315 0.687 10 0 ACAERP CN([C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 82499245 573082428 /nfs/dbraw/zinc/08/24/28/573082428.db2.gz FVKSEUGDLKQFDB-VHSXEESVSA-N 2 0 184.283 0.459 10 0 ACAERP C[N@@H+]1CCCCC[NH2+]CC1 104619972 573082500 /nfs/dbraw/zinc/08/25/00/573082500.db2.gz CKRRSQLXNRAMQR-UHFFFAOYSA-N 2 0 142.246 0.692 10 0 ACAERP CC[C@@H]([NH2+]C)[C@H]1CC[NH2+]C1 114470614 573082513 /nfs/dbraw/zinc/08/25/13/573082513.db2.gz GSNOCHCMGISTJB-JGVFFNPUSA-N 2 0 142.246 0.594 10 0 ACAERP CN(CC(C)(C)O)[C@@H]1CCC[NH2+]C1 82499942 573082584 /nfs/dbraw/zinc/08/25/84/573082584.db2.gz JOGHRVCAHIEAMN-SECBINFHSA-N 2 0 186.299 0.441 10 0 ACAERP Cn1ccnc1Cn1ccc(C[NH3+])c1 85582014 573082648 /nfs/dbraw/zinc/08/26/48/573082648.db2.gz VHMXELGSTUJAMQ-UHFFFAOYSA-N 2 0 190.250 0.729 10 0 ACAERP [NH3+]CCc1cc(F)c(CC[NH3+])cc1O 257942493 573082673 /nfs/dbraw/zinc/08/26/73/573082673.db2.gz DMZDDEYXYVVPTD-UHFFFAOYSA-N 2 0 198.241 0.534 10 0 ACAERP C[C@H]([NH2+]C1CC1)[C@H]1CC[NH2+]C1 114466769 573082833 /nfs/dbraw/zinc/08/28/33/573082833.db2.gz SJWLEMZTEZUPSM-YUMQZZPRSA-N 2 0 154.257 0.736 10 0 ACAERP C[N@@H+]1CCC[C@@H]2CC[NH2+][C@@H]21 104623564 573082966 /nfs/dbraw/zinc/08/29/66/573082966.db2.gz HLISGORYOZLJMH-HTQZYQBOSA-N 2 0 140.230 0.648 10 0 ACAERP C1=CC[NH+](CC[C@@H]2CC[NH2+]C2)C1 114457130 573083048 /nfs/dbraw/zinc/08/30/48/573083048.db2.gz JTLGYWSOMDMMGY-JTQLQIEISA-N 2 0 166.268 0.858 10 0 ACAERP C[C@H]1CC[NH2+][C@H](C)CC[NH2+]1 104621684 573083082 /nfs/dbraw/zinc/08/30/82/573083082.db2.gz MBAYHNRDFVNEPM-OCAPTIKFSA-N 2 0 142.246 0.736 10 0 ACAERP [NH3+]C1CC([NH+]2CC=CC2)C1 114456982 573083302 /nfs/dbraw/zinc/08/33/02/573083302.db2.gz NRFQXPLZRVCQGY-UHFFFAOYSA-N 2 0 138.214 0.348 10 0 ACAERP C[C@H]1CC[NH2+][C@@H](C)CC[NH2+]1 104621686 573083412 /nfs/dbraw/zinc/08/34/12/573083412.db2.gz MBAYHNRDFVNEPM-YUMQZZPRSA-N 2 0 142.246 0.736 10 0 ACAERP C[C@@H]([NH3+])CC[NH+]1CC=CC1 114457091 573083601 /nfs/dbraw/zinc/08/36/01/573083601.db2.gz ZYJZPNDWPSSDAM-MRVPVSSYSA-N 2 0 140.230 0.596 10 0 ACAERP C[NH2+][C@@H](C)/C=C/C[NH+](C)C 104620322 573084708 /nfs/dbraw/zinc/08/47/08/573084708.db2.gz FDQHUQATGCFRJC-GJIOHYHPSA-N 2 0 142.246 0.712 10 0 ACAERP C1C[NH2+]C2(C1)CCC[NH2+]2 104621715 573084246 /nfs/dbraw/zinc/08/42/46/573084246.db2.gz PNGKTJVRIQBEJW-UHFFFAOYSA-N 2 0 126.203 0.450 10 0 ACAERP CC1[C@H](C)[NH2+]CC[NH2+][C@H]1C 104622918 573084282 /nfs/dbraw/zinc/08/42/82/573084282.db2.gz ZOXFAQKJLJVCMV-YUMQZZPRSA-N 2 0 142.246 0.592 10 0 ACAERP CC(C)[C@@H]([NH3+])CC[NH3+] 114463307 573084617 /nfs/dbraw/zinc/08/46/17/573084617.db2.gz FAKVQKOINPDRTH-LURJTMIESA-N 2 0 116.208 0.319 10 0 ACAERP CC[C@H]([NH2+]C)[C@@H]1CC[NH2+]C1 114470612 573084631 /nfs/dbraw/zinc/08/46/31/573084631.db2.gz GSNOCHCMGISTJB-SFYZADRCSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH+](C)C(C)(C)[C@@H]1CC[NH2+]C1 114470509 573084916 /nfs/dbraw/zinc/08/49/16/573084916.db2.gz SDTCEZGTCOLGDA-MRVPVSSYSA-N 2 0 156.273 0.936 10 0 ACAERP CC[N@@H+]1CC[C@H](C2([NH3+])CC2)C1 114480343 573084933 /nfs/dbraw/zinc/08/49/33/573084933.db2.gz MZRQKXVSGTZOIH-QMMMGPOBSA-N 2 0 154.257 0.820 10 0 ACAERP C[C@H]([NH3+])CC[NH+]1CC=CC1 114457090 573085101 /nfs/dbraw/zinc/08/51/01/573085101.db2.gz ZYJZPNDWPSSDAM-QMMMGPOBSA-N 2 0 140.230 0.596 10 0 ACAERP C[NH2+][C@H](C)/C=C/C[NH+](C)C 104620326 573085128 /nfs/dbraw/zinc/08/51/28/573085128.db2.gz FDQHUQATGCFRJC-HQZHTGGTSA-N 2 0 142.246 0.712 10 0 ACAERP CC[C@@H]([NH2+]C)[C@@H]1CC[NH2+]C1 114470610 573085395 /nfs/dbraw/zinc/08/53/95/573085395.db2.gz GSNOCHCMGISTJB-HTQZYQBOSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH2+]CC[C@H]1CSCC[NH2+]1 85615691 573085681 /nfs/dbraw/zinc/08/56/81/573085681.db2.gz OAIWPNOKSMIILZ-ZETCQYMHSA-N 2 0 160.286 0.301 10 0 ACAERP CC[C@H]1[NH2+]CC[C@H]1CN1CC[NH2+]CC1 238271292 573085997 /nfs/dbraw/zinc/08/59/97/573085997.db2.gz VZTBMUNZIAWTAX-WDEREUQCSA-N 2 0 197.326 0.280 10 0 ACAERP C[N@@H+]1CCC[C@H]2CC[NH2+][C@@H]21 104623560 573086188 /nfs/dbraw/zinc/08/61/88/573086188.db2.gz HLISGORYOZLJMH-JGVFFNPUSA-N 2 0 140.230 0.648 10 0 ACAERP C[NH+](C)CCCN1CCC[C@H]1CC[NH3+] 259324118 573086199 /nfs/dbraw/zinc/08/61/99/573086199.db2.gz RAQQDXNNBUZEJT-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP NC(=O)CCCC[NH+]1CCC([NH3+])CC1 308498406 573086588 /nfs/dbraw/zinc/08/65/88/573086588.db2.gz UTUXQDZKTVLTLV-UHFFFAOYSA-N 2 0 199.298 0.065 10 0 ACAERP CC[N@@H+]1CCc2ncc(C[NH3+])cc2C1 238271257 573087252 /nfs/dbraw/zinc/08/72/52/573087252.db2.gz XCZRUNCHNCYOJL-UHFFFAOYSA-N 2 0 191.278 0.918 10 0 ACAERP [NH2+]=CCC[NH2+]CCC=[NH2+] 104627758 573087281 /nfs/dbraw/zinc/08/72/81/573087281.db2.gz GIRCXONLWCLNTI-UHFFFAOYSA-N 3 0 127.191 0.655 10 0 ACAERP [NH3+]CCOCCC[NH2+]Cc1ccco1 308497632 573087432 /nfs/dbraw/zinc/08/74/32/573087432.db2.gz UIWSHUFLMJFSGT-UHFFFAOYSA-N 2 0 198.266 0.735 10 0 ACAERP C[C@H](O)C[NH2+][C@@H](C)CCC[NH+](C)C 308252522 573087508 /nfs/dbraw/zinc/08/75/08/573087508.db2.gz IMWQNBTWNRLOQC-UWVGGRQHSA-N 2 0 188.315 0.687 10 0 ACAERP [NH3+]CC1(C[NH3+])CC[NH+](C2CC2)CC1 259324779 573087895 /nfs/dbraw/zinc/08/78/95/573087895.db2.gz MXRIIVGXIXGZPT-UHFFFAOYSA-N 3 0 183.299 0.148 10 0 ACAERP C[NH+](C)CCCN1CCC[C@@H]1CC[NH3+] 259324114 573088885 /nfs/dbraw/zinc/08/88/85/573088885.db2.gz RAQQDXNNBUZEJT-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP CCC[C@H]([NH3+])CC[NH2+]CCOC 128628601 573088886 /nfs/dbraw/zinc/08/88/86/573088886.db2.gz RXQSKLBLXKJKLR-VIFPVBQESA-N 2 0 174.288 0.740 10 0 ACAERP CC[NH2+]CC[C@H]1CSCC[NH2+]1 85615699 573089075 /nfs/dbraw/zinc/08/90/75/573089075.db2.gz VBTYCSATRAOVMB-QMMMGPOBSA-N 2 0 174.313 0.691 10 0 ACAERP C[N@@H+]1CCC[C@@H](C2(C[NH3+])CC(=O)C2)C1 258231690 573089495 /nfs/dbraw/zinc/08/94/95/573089495.db2.gz ZLOSLUUKDIVDQJ-SECBINFHSA-N 2 0 196.294 0.636 10 0 ACAERP [NH3+]C[C@@]1(NC2CCCC2)CC[NH2+]C1 257943366 573089947 /nfs/dbraw/zinc/08/99/47/573089947.db2.gz VICDGKXCXNUJKJ-JTQLQIEISA-N 2 0 183.299 0.209 10 0 ACAERP C[C@@H]1C[C@H]([C@H]2CC[NH2+]C2)C[NH2+]1 258234211 573090093 /nfs/dbraw/zinc/09/00/93/573090093.db2.gz PPKVEMFBVJLBCW-VGMNWLOBSA-N 2 0 154.257 0.594 10 0 ACAERP C[C@@H]1CN(C2CC[NH2+]CC2)CCC[NH2+]1 257943353 573090120 /nfs/dbraw/zinc/09/01/20/573090120.db2.gz BWYLQLUWNXYKSW-SNVBAGLBSA-N 2 0 197.326 0.422 10 0 ACAERP C[N@@H+]1CCC[C@@H]1C[C@H]1C[NH2+][C@@H](CO)C1 258234161 573090228 /nfs/dbraw/zinc/09/02/28/573090228.db2.gz POLQKMZYZSAEGJ-HBNTYKKESA-N 2 0 198.310 0.441 10 0 ACAERP C[C@@H]1C[C@@H]([C@H]2CC[NH2+]C2)C[NH2+]1 258234207 573090298 /nfs/dbraw/zinc/09/02/98/573090298.db2.gz PPKVEMFBVJLBCW-HRDYMLBCSA-N 2 0 154.257 0.594 10 0 ACAERP C[C@H]([NH3+])C[C@@H]([C@@H]1CC[N@H+](C)C1)N(C)C 259324609 573090668 /nfs/dbraw/zinc/09/06/68/573090668.db2.gz DRRQFSRTKHQDQT-AXFHLTTASA-N 2 0 199.342 0.606 10 0 ACAERP C[C@@H](CCO)[NH2+]CCCC[NH+](C)C 308260501 573090787 /nfs/dbraw/zinc/09/07/87/573090787.db2.gz NASJPEXPGGZGFN-JTQLQIEISA-N 2 0 188.315 0.689 10 0 ACAERP [NH3+]Cc1coc(C[C@H]2CCCC[NH2+]2)n1 258234045 573090889 /nfs/dbraw/zinc/09/08/89/573090889.db2.gz VTQJEURRRHSZQO-MRVPVSSYSA-N 2 0 195.266 0.818 10 0 ACAERP C[C@@H]1CC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 85621174 573091611 /nfs/dbraw/zinc/09/16/11/573091611.db2.gz JKQAZXWIORVPQD-GHMZBOCLSA-N 2 0 198.310 0.707 10 0 ACAERP C[NH2+][C@@H](C)/C=C/[C@@H](C)[NH2+]C 104624111 573091684 /nfs/dbraw/zinc/09/16/84/573091684.db2.gz LVHDPVRWRGISPB-QVEUVULFSA-N 2 0 142.246 0.758 10 0 ACAERP CCC[C@H]([NH3+])CN(C)CC[NH+](C)C 82540965 573091728 /nfs/dbraw/zinc/09/17/28/573091728.db2.gz GUYAXCLCXPMMIE-JTQLQIEISA-N 2 0 187.331 0.607 10 0 ACAERP CC(C)[C@H]([NH3+])[C@H]1CC[NH2+]C1 114575840 573091889 /nfs/dbraw/zinc/09/18/89/573091889.db2.gz BVIPNIXZFLGNFP-YUMQZZPRSA-N 2 0 142.246 0.579 10 0 ACAERP [NH3+]Cc1coc(C[C@@H]2CCCC[NH2+]2)n1 258234049 573092247 /nfs/dbraw/zinc/09/22/47/573092247.db2.gz VTQJEURRRHSZQO-QMMMGPOBSA-N 2 0 195.266 0.818 10 0 ACAERP C[N@@H+]1CCC[C@@H]1C[C@@H]1C[NH2+][C@@H](CO)C1 258234160 573092322 /nfs/dbraw/zinc/09/23/22/573092322.db2.gz POLQKMZYZSAEGJ-GMTAPVOTSA-N 2 0 198.310 0.441 10 0 ACAERP C[C@@H](C[NH3+])N1C[C@@H](C)[C@@H]([NH+](C)C)C1 123589866 573092328 /nfs/dbraw/zinc/09/23/28/573092328.db2.gz UMBHTGNRCROBCB-UTLUCORTSA-N 2 0 185.315 0.216 10 0 ACAERP C[N@@H+]1CCC[C@H](C2(C[NH3+])CC(=O)C2)C1 258231694 573092404 /nfs/dbraw/zinc/09/24/04/573092404.db2.gz ZLOSLUUKDIVDQJ-VIFPVBQESA-N 2 0 196.294 0.636 10 0 ACAERP C[C@H]([NH3+])C[C@H]([C@@H]1CC[N@H+](C)C1)N(C)C 259324614 573092928 /nfs/dbraw/zinc/09/29/28/573092928.db2.gz DRRQFSRTKHQDQT-HBNTYKKESA-N 2 0 199.342 0.606 10 0 ACAERP C[NH2+][C@@H]1CCN(c2cc[nH+]cc2)C1 114585769 573093150 /nfs/dbraw/zinc/09/31/50/573093150.db2.gz ISEBPXBVBQDKBL-SECBINFHSA-N 2 0 177.251 0.880 10 0 ACAERP C[C@H]([NH3+])C[C@@H]([C@H]1CC[N@H+](C)C1)N(C)C 259324611 573093166 /nfs/dbraw/zinc/09/31/66/573093166.db2.gz DRRQFSRTKHQDQT-DCAQKATOSA-N 2 0 199.342 0.606 10 0 ACAERP CC(C)[C@@H]([NH3+])[C@H]1CC[NH2+]C1 114575838 573093277 /nfs/dbraw/zinc/09/32/77/573093277.db2.gz BVIPNIXZFLGNFP-JGVFFNPUSA-N 2 0 142.246 0.579 10 0 ACAERP C[C@H](CCO)[NH2+]CCCC[NH+](C)C 308260504 573093221 /nfs/dbraw/zinc/09/32/21/573093221.db2.gz NASJPEXPGGZGFN-SNVBAGLBSA-N 2 0 188.315 0.689 10 0 ACAERP CN(CCC[NH+](C)C)CCC(N)=[NH2+] 82542070 573093419 /nfs/dbraw/zinc/09/34/19/573093419.db2.gz ILEMYRSTCUIUHO-UHFFFAOYSA-N 2 0 186.303 0.196 10 0 ACAERP CC[N@H+](C)CC[C@H]1C[NH2+]CCO1 85620765 573093633 /nfs/dbraw/zinc/09/36/33/573093633.db2.gz DMSDOLQAFDNMKJ-VIFPVBQESA-N 2 0 172.272 0.317 10 0 ACAERP C[N@@H+]1CCC[C@@H]1C[C@@H]1C[NH2+][C@H](CO)C1 258234163 573093672 /nfs/dbraw/zinc/09/36/72/573093672.db2.gz POLQKMZYZSAEGJ-OUAUKWLOSA-N 2 0 198.310 0.441 10 0 ACAERP CC[C@H](C)[C@H]1[NH2+]CC[C@@H]1[NH3+] 238275134 573093689 /nfs/dbraw/zinc/09/36/89/573093689.db2.gz MRYZARQLAZJBSN-BIIVOSGPSA-N 2 0 142.246 0.722 10 0 ACAERP C[NH2+]CN1CCC[N@H+](C)[C@@H](C)C1 258231668 573093752 /nfs/dbraw/zinc/09/37/52/573093752.db2.gz RVQMHQSXKTUJQR-VIFPVBQESA-N 2 0 171.288 0.189 10 0 ACAERP CC[C@H]([NH2+]C)C(C)(C)N1CC[NH2+]CC1 259327883 573094139 /nfs/dbraw/zinc/09/41/39/573094139.db2.gz RUPCTSVFKQIWBV-JTQLQIEISA-N 2 0 199.342 0.668 10 0 ACAERP C[C@@H]1CCC[N@@H+]1CC[C@@H]1C[NH2+]CCO1 85621007 573094162 /nfs/dbraw/zinc/09/41/62/573094162.db2.gz WQUMTUDXKIMHQN-GHMZBOCLSA-N 2 0 198.310 0.849 10 0 ACAERP [NH3+]C[C@]1(NC2CCCC2)CC[NH2+]C1 257943368 573094167 /nfs/dbraw/zinc/09/41/67/573094167.db2.gz VICDGKXCXNUJKJ-SNVBAGLBSA-N 2 0 183.299 0.209 10 0 ACAERP C[C@H]1CCC[N@@H+]1CC[C@@H]1C[NH2+]CCO1 85621010 573094508 /nfs/dbraw/zinc/09/45/08/573094508.db2.gz WQUMTUDXKIMHQN-WDEREUQCSA-N 2 0 198.310 0.849 10 0 ACAERP C[C@@H]1C[C@H]([C@@H]2CC[NH2+]C2)C[NH2+]1 258234204 573094718 /nfs/dbraw/zinc/09/47/18/573094718.db2.gz PPKVEMFBVJLBCW-HLTSFMKQSA-N 2 0 154.257 0.594 10 0 ACAERP C[C@H](CC[NH3+])N(C)CCC[NH+](C)C 49806207 573095194 /nfs/dbraw/zinc/09/51/94/573095194.db2.gz NELFUJOXMNAZEO-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP C[C@H](O)C[N@H+](C)CCC[NH+](C)C 49805199 573095264 /nfs/dbraw/zinc/09/52/64/573095264.db2.gz CRJPLBBQZWZGBT-VIFPVBQESA-N 2 0 174.288 0.251 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CCC[C@@H]([NH3+])C1 223180524 573095337 /nfs/dbraw/zinc/09/53/37/573095337.db2.gz DAZLELSTOYGDAG-MNOVXSKESA-N 2 0 199.342 0.750 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1CC[C@@H]([NH3+])C1 223180595 573095378 /nfs/dbraw/zinc/09/53/78/573095378.db2.gz MILRAAGMHLHBEY-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H]1CC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 85621176 573095388 /nfs/dbraw/zinc/09/53/88/573095388.db2.gz JKQAZXWIORVPQD-WDEREUQCSA-N 2 0 198.310 0.707 10 0 ACAERP C1C2CC3CC(CC1[NH2+]3)[NH2+]2 104631031 573095816 /nfs/dbraw/zinc/09/58/16/573095816.db2.gz YVNBVXTZGKSZLV-UHFFFAOYSA-N 2 0 138.214 0.241 10 0 ACAERP C[C@H]1C[C@H]([NH2+]C[C@H](C)C[NH3+])CCO1 308254582 573095972 /nfs/dbraw/zinc/09/59/72/573095972.db2.gz ICWKDEDWQBTYSS-KXUCPTDWSA-N 2 0 186.299 0.738 10 0 ACAERP C[C@H](C[NH3+])CN(C)CCC[NH+](C)C 49806205 573096631 /nfs/dbraw/zinc/09/66/31/573096631.db2.gz TWRSULORSVUFDS-SNVBAGLBSA-N 2 0 187.331 0.465 10 0 ACAERP C[NH+](C)CCC[NH2+]CCCCCO 49806336 573096687 /nfs/dbraw/zinc/09/66/87/573096687.db2.gz ZBOHICPVSXIIES-UHFFFAOYSA-N 2 0 188.315 0.690 10 0 ACAERP CC(C)[NH2+]C[C@H]1C[NH2+]C[C@H]1C 82560516 573097053 /nfs/dbraw/zinc/09/70/53/573097053.db2.gz YZSPMRCHRRCBHC-RKDXNWHRSA-N 2 0 156.273 0.840 10 0 ACAERP CN(CC[NH+](C)C)[C@H]1CC[C@@H]([NH3+])C1 223180654 573097083 /nfs/dbraw/zinc/09/70/83/573097083.db2.gz MILRAAGMHLHBEY-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H](C[NH3+])CC[NH2+]CCN(C)C 49805135 573097101 /nfs/dbraw/zinc/09/71/01/573097101.db2.gz ZIOSMJCVUAZLTP-VIFPVBQESA-N 2 0 173.304 0.123 10 0 ACAERP C[C@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCOCC1 82560883 573097164 /nfs/dbraw/zinc/09/71/64/573097164.db2.gz CYIRDXFHWQIERK-QWRGUYRKSA-N 2 0 198.310 0.564 10 0 ACAERP CC[C@H](C[NH3+])[C@@H](C)CC[NH3+] 104633657 573097537 /nfs/dbraw/zinc/09/75/37/573097537.db2.gz GDDRDAWGNLGCLN-JGVFFNPUSA-N 2 0 144.262 0.956 10 0 ACAERP CC[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560544 573097544 /nfs/dbraw/zinc/09/75/44/573097544.db2.gz QJFOBFBLCAKSEE-JGVFFNPUSA-N 2 0 142.246 0.451 10 0 ACAERP CC[C@@H](C[NH3+])[C@@H](C)CC[NH3+] 104633651 573097595 /nfs/dbraw/zinc/09/75/95/573097595.db2.gz GDDRDAWGNLGCLN-YUMQZZPRSA-N 2 0 144.262 0.956 10 0 ACAERP c1cc[n+](C[C@H]2CCC[NH2+]2)cc1 114622929 573097685 /nfs/dbraw/zinc/09/76/85/573097685.db2.gz SMFHACAJBGCTPP-SNVBAGLBSA-N 2 0 163.244 0.726 10 0 ACAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCO[C@H](C)C1 308254587 573097911 /nfs/dbraw/zinc/09/79/11/573097911.db2.gz ICWKDEDWQBTYSS-OPRDCNLKSA-N 2 0 186.299 0.738 10 0 ACAERP c1cc[n+](C[C@@H]2CCC[NH2+]2)cc1 114622928 573097991 /nfs/dbraw/zinc/09/79/91/573097991.db2.gz SMFHACAJBGCTPP-JTQLQIEISA-N 2 0 163.244 0.726 10 0 ACAERP C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560543 573098008 /nfs/dbraw/zinc/09/80/08/573098008.db2.gz WVPCDSLZKFKUSR-NKWVEPMBSA-N 2 0 128.219 0.061 10 0 ACAERP CC[C@@H]([NH2+]C)C(C)(C)N1CC[NH2+]CC1 259327884 573098017 /nfs/dbraw/zinc/09/80/17/573098017.db2.gz RUPCTSVFKQIWBV-SNVBAGLBSA-N 2 0 199.342 0.668 10 0 ACAERP C[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560541 573098114 /nfs/dbraw/zinc/09/81/14/573098114.db2.gz WVPCDSLZKFKUSR-BQBZGAKWSA-N 2 0 128.219 0.061 10 0 ACAERP CCC[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 82560510 573098202 /nfs/dbraw/zinc/09/82/02/573098202.db2.gz XBHWGMHSFDJQJO-RKDXNWHRSA-N 2 0 156.273 0.842 10 0 ACAERP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+]1CCCOCC1 82560881 573098539 /nfs/dbraw/zinc/09/85/39/573098539.db2.gz CYIRDXFHWQIERK-WDEREUQCSA-N 2 0 198.310 0.564 10 0 ACAERP CSC(=[NH2+])CC[NH3+] 104634421 573098541 /nfs/dbraw/zinc/09/85/41/573098541.db2.gz CVHZKLOOBNLQLM-UHFFFAOYSA-N 2 0 118.205 0.675 10 0 ACAERP CC[C@H](C[NH3+])[C@H](C)CC[NH3+] 104633663 573098611 /nfs/dbraw/zinc/09/86/11/573098611.db2.gz GDDRDAWGNLGCLN-HTQZYQBOSA-N 2 0 144.262 0.956 10 0 ACAERP C[C@H](C[NH3+])C[NH2+][C@H]1CCO[C@H](C)C1 308254578 573098839 /nfs/dbraw/zinc/09/88/39/573098839.db2.gz ICWKDEDWQBTYSS-BBBLOLIVSA-N 2 0 186.299 0.738 10 0 ACAERP CC[NH2+]C[C@H]1C[NH2+]C[C@@H]1C 82560545 573098899 /nfs/dbraw/zinc/09/88/99/573098899.db2.gz QJFOBFBLCAKSEE-YUMQZZPRSA-N 2 0 142.246 0.451 10 0 ACAERP CC(C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1C 82560519 573099093 /nfs/dbraw/zinc/09/90/93/573099093.db2.gz YZSPMRCHRRCBHC-IUCAKERBSA-N 2 0 156.273 0.840 10 0 ACAERP [NH3+]CCCCC1=[NH+]CCN1 104635137 573099339 /nfs/dbraw/zinc/09/93/39/573099339.db2.gz WYUZRQWECJJUSO-UHFFFAOYSA-N 2 0 141.218 0.117 10 0 ACAERP CC[NH2+]C[C@H]1C[NH2+]C[C@H]1C 82560547 573099394 /nfs/dbraw/zinc/09/93/94/573099394.db2.gz QJFOBFBLCAKSEE-SFYZADRCSA-N 2 0 142.246 0.451 10 0 ACAERP CC(C)(C)[C@@H](C[NH3+])CC[NH3+] 104635288 573099494 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82666598 573155696 /nfs/dbraw/zinc/15/56/96/573155696.db2.gz XFOJXSNNRGHREV-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP C1C[NH2+]CC[C@@H]([NH2+]C2CC2)C1 82666752 573155782 /nfs/dbraw/zinc/15/57/82/573155782.db2.gz XVWYVWGRWVMZSX-QMMMGPOBSA-N 2 0 154.257 0.881 10 0 ACAERP CCNC(=[NH2+])[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 85802372 573155938 /nfs/dbraw/zinc/15/59/38/573155938.db2.gz QXCIVEXUCBYJBX-BDAKNGLRSA-N 2 0 197.282 0.436 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]CCc1ncc[nH]1 393658501 573155990 /nfs/dbraw/zinc/15/59/90/573155990.db2.gz MMRLTHYTHXMXGR-SECBINFHSA-N 2 0 196.298 0.669 10 0 ACAERP C[C@H]1CC[N@H+](CCC[C@@H](O)C[NH3+])C1 308283593 573156249 /nfs/dbraw/zinc/15/62/49/573156249.db2.gz ZAPFYQREHAGLGE-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP CC[NH2+]C[C@@]1(F)CC[C@H]([NH3+])C1 258482075 573156076 /nfs/dbraw/zinc/15/60/76/573156076.db2.gz JGTGVVLBHKHEAS-JGVFFNPUSA-N 2 0 160.236 0.815 10 0 ACAERP C[C@H](C[NH3+])C[NH2+]C[C@](C)(O)C1CC1 308282418 573156088 /nfs/dbraw/zinc/15/60/88/573156088.db2.gz YKXUPHGHCQOYAP-SCZZXKLOSA-N 2 0 186.299 0.332 10 0 ACAERP C[NH2+][C@@H](CCO)C1CC[NH+](C)CC1 259346960 573156141 /nfs/dbraw/zinc/15/61/41/573156141.db2.gz KOWVLPDOMPQCBJ-JTQLQIEISA-N 2 0 186.299 0.299 10 0 ACAERP C[NH+](C)[C@@H]1C[C@H]2CC[NH2+]C[C@@H]21 238293670 573156162 /nfs/dbraw/zinc/15/61/62/573156162.db2.gz YLPIVWYLFUHRBX-HRDYMLBCSA-N 2 0 154.257 0.546 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H](F)C[NH3+])C1 258554467 573156344 /nfs/dbraw/zinc/15/63/44/573156344.db2.gz PSPUKMRNIWHITN-RQJHMYQMSA-N 2 0 146.209 0.235 10 0 ACAERP C[N@@H+]1CC[C@H](C(=O)C[C@H]2CC[NH2+]C2)C1 259347467 573156519 /nfs/dbraw/zinc/15/65/19/573156519.db2.gz ZMUQZDPFGVURDH-ZJUUUORDSA-N 2 0 196.294 0.507 10 0 ACAERP C[N@@H+]1CC[C@@H](C(=O)C[C@@H]2CC[NH2+]C2)C1 259347464 573156572 /nfs/dbraw/zinc/15/65/72/573156572.db2.gz ZMUQZDPFGVURDH-VHSXEESVSA-N 2 0 196.294 0.507 10 0 ACAERP CC[NH2+]C[C@]1(F)CC[C@@H]([NH3+])C1 258482084 573156706 /nfs/dbraw/zinc/15/67/06/573156706.db2.gz 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/nfs/dbraw/zinc/44/78/20/573447820.db2.gz OFLIOSFTYYMGDF-DTWKUNHWSA-N 2 0 170.256 0.245 10 0 ACAERP C[NH2+][C@H](C)c1ccc(C[NH3+])[nH]1 258656729 573447874 /nfs/dbraw/zinc/44/78/74/573447874.db2.gz ZXZYTKNCQQXFBE-ZCFIWIBFSA-N 2 0 153.229 0.754 10 0 ACAERP C[NH2+]C/C=C\[C@@H]1CC[N@H+](C)C1 258352190 573447900 /nfs/dbraw/zinc/44/79/00/573447900.db2.gz YNUVUKAAMXAKAO-ZBJFTSOASA-N 2 0 154.257 0.714 10 0 ACAERP CC(C)[C@@H]([NH3+])CN(C)[C@@H]1CC[N@H+](C)C1 308588077 573447973 /nfs/dbraw/zinc/44/79/73/573447973.db2.gz TWLXLMWILARCIB-MNOVXSKESA-N 2 0 199.342 0.606 10 0 ACAERP C[C@@H]([NH3+])Cc1[nH+]cc2cc(O)ccn12 258658030 573447990 /nfs/dbraw/zinc/44/79/90/573447990.db2.gz XCEQAAPRKMHCKG-SSDOTTSWSA-N 2 0 191.234 0.930 10 0 ACAERP C[C@]1(C[NH2+]C/C=C\C[NH3+])CCOC1 397337229 573447991 /nfs/dbraw/zinc/44/79/91/573447991.db2.gz BPSCBJQZEOHXLF-MXQLGCADSA-N 2 0 184.283 0.518 10 0 ACAERP CC(C)[N@@H+]1CC[C@@]2(C[NH+]=C(N)N2C)C1 86458144 573448108 /nfs/dbraw/zinc/44/81/08/573448108.db2.gz KZAMCDUWRPOEFR-SNVBAGLBSA-N 2 0 196.298 0.099 10 0 ACAERP Cc1nn(C2C[NH2+]C2)c(C)c1C[NH3+] 257816692 573448190 /nfs/dbraw/zinc/44/81/90/573448190.db2.gz DHOHKBZAPPQCHD-UHFFFAOYSA-N 2 0 180.255 0.103 10 0 ACAERP CC[C@H](C[NH3+])[C@@H]([NH3+])[C@H]1CC[N@H+](C)C1 259449855 573448283 /nfs/dbraw/zinc/44/82/83/573448283.db2.gz OCEBEAKJTDLEGV-KXUCPTDWSA-N 3 0 185.315 0.250 10 0 ACAERP CC(=O)C[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259452955 573448347 /nfs/dbraw/zinc/44/83/47/573448347.db2.gz OFLIOSFTYYMGDF-RKDXNWHRSA-N 2 0 170.256 0.245 10 0 ACAERP CCC1CCN([C@@H](C[NH3+])CO)CC1 130050836 573448415 /nfs/dbraw/zinc/44/84/15/573448415.db2.gz FMDVPPJMBWGZNY-JTQLQIEISA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@H](C[NH3+])C[NH2+]Cc1ccncc1 258654086 573448418 /nfs/dbraw/zinc/44/84/18/573448418.db2.gz GEIHSBSXWMXLSC-VIFPVBQESA-N 2 0 179.267 0.766 10 0 ACAERP CCC[N@H+](CC1CC1)[C@H](CN)CO 130059239 573448461 /nfs/dbraw/zinc/44/84/61/573448461.db2.gz BOHGTLTXXKTQAY-SNVBAGLBSA-N 2 0 186.299 0.428 10 0 ACAERP [NH3+]CCNC[C@H](O)c1ccc(F)cc1 50523562 573448536 /nfs/dbraw/zinc/44/85/36/573448536.db2.gz QTUBBKIJMTZNQY-JTQLQIEISA-N 2 0 198.241 0.407 10 0 ACAERP C[C@@H](C[NH+]1CCCCC1)N(C)CC[NH3+] 308588853 573448568 /nfs/dbraw/zinc/44/85/68/573448568.db2.gz UFKFMXXTFGHUAG-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CCN1C(N)=[NH+]CC12CC[NH+](C)CC2 86459267 573448579 /nfs/dbraw/zinc/44/85/79/573448579.db2.gz WSOHFFKAZWAIMM-UHFFFAOYSA-N 2 0 196.298 0.101 10 0 ACAERP [NH3+]CCNC[C@H](O)c1cccs1 50523578 573448776 /nfs/dbraw/zinc/44/87/76/573448776.db2.gz SKRDKWIHLRPJMS-ZETCQYMHSA-N 2 0 186.280 0.330 10 0 ACAERP C1C[NH2+]CC[C@H](C[NH2+][C@H]2CCOC2)C1 257816532 573448781 /nfs/dbraw/zinc/44/87/81/573448781.db2.gz BXAKTJUNRMHMFI-MNOVXSKESA-N 2 0 198.310 0.755 10 0 ACAERP C[NH+](C)C[C@H](F)C1CC[NH2+]CC1 107256570 573449037 /nfs/dbraw/zinc/44/90/37/573449037.db2.gz YQUDZCDROZYNFI-VIFPVBQESA-N 2 0 174.263 0.886 10 0 ACAERP C1C[NH2+]CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 257816536 573449155 /nfs/dbraw/zinc/44/91/55/573449155.db2.gz BXAKTJUNRMHMFI-WDEREUQCSA-N 2 0 198.310 0.755 10 0 ACAERP C[C@@H]1CN(C2(C[NH3+])CCC2)[C@H](C)CO1 86474972 573449289 /nfs/dbraw/zinc/44/92/89/573449289.db2.gz SOLBATWVPWAXHI-NXEZZACHSA-N 2 0 198.310 0.977 10 0 ACAERP C[NH+](C)C[C@@H]1C[NH2+]C(C)(C)C1 258350293 573449324 /nfs/dbraw/zinc/44/93/24/573449324.db2.gz YKWDQOLSGXKFQB-QMMMGPOBSA-N 2 0 156.273 0.936 10 0 ACAERP C[C@H]1[C@H]([NH3+])CC[C@@H](C)[N@H+]1C 107259390 573449358 /nfs/dbraw/zinc/44/93/58/573449358.db2.gz ZVQIGWHBPACQQI-GJMOJQLCSA-N 2 0 142.246 0.816 10 0 ACAERP CC1(C)CN(C2(C[NH3+])CCC2)CCO1 86474988 573449479 /nfs/dbraw/zinc/44/94/79/573449479.db2.gz KOPQWCZGBNTEND-UHFFFAOYSA-N 2 0 198.310 0.979 10 0 ACAERP C(C[C@@H]1C[NH+]2CCN1CC2)[NH2+]C1CC1 214896407 573449519 /nfs/dbraw/zinc/44/95/19/573449519.db2.gz AMAVKEOYVYDIIK-LLVKDONJSA-N 2 0 195.310 0.128 10 0 ACAERP C[NH2+]C/C=C\[C@H]1CC[N@H+](C)C1 258352188 573449529 /nfs/dbraw/zinc/44/95/29/573449529.db2.gz YNUVUKAAMXAKAO-TYRPZCRBSA-N 2 0 154.257 0.714 10 0 ACAERP CC[NH2+]C[C@@H]([NH3+])C1CCOCC1 259453137 573449576 /nfs/dbraw/zinc/44/95/76/573449576.db2.gz QNSSLEZANRUORK-SECBINFHSA-N 2 0 172.272 0.350 10 0 ACAERP CC[NH2+]C[C@H]([NH3+])C1CCOCC1 259453138 573449599 /nfs/dbraw/zinc/44/95/99/573449599.db2.gz QNSSLEZANRUORK-VIFPVBQESA-N 2 0 172.272 0.350 10 0 ACAERP [NH3+]CCNC[C@@H](O)c1ccc(F)cc1 50523561 573449671 /nfs/dbraw/zinc/44/96/71/573449671.db2.gz QTUBBKIJMTZNQY-SNVBAGLBSA-N 2 0 198.241 0.407 10 0 ACAERP C[NH+](C)CCCNCC1([NH3+])CC1 258660624 573449752 /nfs/dbraw/zinc/44/97/52/573449752.db2.gz NLTQBORGMXKKBR-UHFFFAOYSA-N 2 0 171.288 0.019 10 0 ACAERP CC(C)N1C(N)=[NH+]CC12CC[NH2+]CC2 86473322 573449806 /nfs/dbraw/zinc/44/98/06/573449806.db2.gz VXQLGVKVJZWNCK-UHFFFAOYSA-N 2 0 196.298 0.147 10 0 ACAERP C1C[NH2+]CC[C@@H](C[NH2+][C@H]2CCOC2)C1 257816534 573449811 /nfs/dbraw/zinc/44/98/11/573449811.db2.gz BXAKTJUNRMHMFI-QWRGUYRKSA-N 2 0 198.310 0.755 10 0 ACAERP [NH3+]CCCC[N@@H+]1CC[C@@H](F)C1 107260980 573449881 /nfs/dbraw/zinc/44/98/81/573449881.db2.gz JUAMOKLHAOSRFV-MRVPVSSYSA-N 2 0 160.236 0.769 10 0 ACAERP [NH3+]Cc1nccc([C@@H]2CCC[NH2+]C2)n1 258350964 573449940 /nfs/dbraw/zinc/44/99/40/573449940.db2.gz WHBWPJAVONAGBF-MRVPVSSYSA-N 2 0 192.266 0.402 10 0 ACAERP C[C@H]1[C@@H]([NH3+])CC[C@@H](C)[N@H+]1C 107259384 573449966 /nfs/dbraw/zinc/44/99/66/573449966.db2.gz ZVQIGWHBPACQQI-CSMHCCOUSA-N 2 0 142.246 0.816 10 0 ACAERP C[C@H]1CN(C2(C[NH3+])CCC2)CCCO1 86475158 573449972 /nfs/dbraw/zinc/44/99/72/573449972.db2.gz YHSLWUPKCGLCQQ-JTQLQIEISA-N 2 0 198.310 0.979 10 0 ACAERP [NH3+]Cc1nccc([C@H]2CCC[NH2+]C2)n1 258350969 573449982 /nfs/dbraw/zinc/44/99/82/573449982.db2.gz WHBWPJAVONAGBF-QMMMGPOBSA-N 2 0 192.266 0.402 10 0 ACAERP C[C@@H]1CC[C@H](N(C)C)[NH2+]C1 107259571 573450291 /nfs/dbraw/zinc/45/02/91/573450291.db2.gz GONXNHNJQMPFOK-SFYZADRCSA-N 2 0 142.246 0.894 10 0 ACAERP C[C@H]1CCC[NH2+][C@@H]1N(C)C 107259617 573450324 /nfs/dbraw/zinc/45/03/24/573450324.db2.gz YEILFIUEKUESHD-JGVFFNPUSA-N 2 0 142.246 0.894 10 0 ACAERP C[NH2+][C@@H](C)c1ccnn1[C@@H]1CC[NH2+]C1 257817238 573450402 /nfs/dbraw/zinc/45/04/02/573450402.db2.gz DSQCCUCHZCDRTA-DTWKUNHWSA-N 2 0 194.282 0.698 10 0 ACAERP CC(C)[C@@H]([NH3+])CN(C)[C@H]1CC[N@H+](C)C1 308588078 573450511 /nfs/dbraw/zinc/45/05/11/573450511.db2.gz TWLXLMWILARCIB-QWRGUYRKSA-N 2 0 199.342 0.606 10 0 ACAERP CC(C)[N@H+](CC1CC1)[C@@H](CN)CO 130072399 573450525 /nfs/dbraw/zinc/45/05/25/573450525.db2.gz WJEAWAMKBISFAS-JTQLQIEISA-N 2 0 186.299 0.426 10 0 ACAERP CC[C@H](C[NH3+])[C@H]([NH3+])[C@@H]1CC[N@H+](C)C1 259449852 573450540 /nfs/dbraw/zinc/45/05/40/573450540.db2.gz OCEBEAKJTDLEGV-BBBLOLIVSA-N 3 0 185.315 0.250 10 0 ACAERP [NH3+]C[C@@]1(NC2CCCCC2)CC[NH2+]C1 257816838 573450550 /nfs/dbraw/zinc/45/05/50/573450550.db2.gz DPXSNXBQZOGHDF-NSHDSACASA-N 2 0 197.326 0.600 10 0 ACAERP CN(C1CC1)C1(C[NH3+])CCC1 86474944 573450599 /nfs/dbraw/zinc/45/05/99/573450599.db2.gz IQBZOEHUWGXHHU-UHFFFAOYSA-N 2 0 154.257 0.962 10 0 ACAERP C[NH2+][C@H](C)c1ccnn1[C@H]1CC[NH2+]C1 257817237 573450630 /nfs/dbraw/zinc/45/06/30/573450630.db2.gz DSQCCUCHZCDRTA-BDAKNGLRSA-N 2 0 194.282 0.698 10 0 ACAERP C[C@@H]1CC[NH2+][C@H](N(C)C)C1 107259600 573450686 /nfs/dbraw/zinc/45/06/86/573450686.db2.gz OATASNQDEVUTON-HTQZYQBOSA-N 2 0 142.246 0.894 10 0 ACAERP CC[C@H]1COCCN1C1(C[NH3+])CCC1 86474991 573450703 /nfs/dbraw/zinc/45/07/03/573450703.db2.gz GTBGNCFXDJGTHJ-JTQLQIEISA-N 2 0 198.310 0.979 10 0 ACAERP NC(=[NH2+])NC(=[NH2+])NCC1(C2CC2)CC1 236228386 573450706 /nfs/dbraw/zinc/45/07/06/573450706.db2.gz QKONQSLGEKDKRL-UHFFFAOYSA-N 2 0 195.270 0.184 10 0 ACAERP C[NH2+][C@@H](C)c1ccnn1[C@H]1CC[NH2+]C1 257817240 573450726 /nfs/dbraw/zinc/45/07/26/573450726.db2.gz DSQCCUCHZCDRTA-IUCAKERBSA-N 2 0 194.282 0.698 10 0 ACAERP CC(=O)C[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259452950 573450903 /nfs/dbraw/zinc/45/09/03/573450903.db2.gz OFLIOSFTYYMGDF-BDAKNGLRSA-N 2 0 170.256 0.245 10 0 ACAERP C[C@H]([C@H]([NH3+])C1CCC1)N1CC[NH2+]CC1 259449592 573450950 /nfs/dbraw/zinc/45/09/50/573450950.db2.gz OACVTKPTAOZYOE-KOLCDFICSA-N 2 0 197.326 0.408 10 0 ACAERP C[C@H]1CC[C@@H](N(C)C)[NH2+]C1 107259579 573450983 /nfs/dbraw/zinc/45/09/83/573450983.db2.gz GONXNHNJQMPFOK-JGVFFNPUSA-N 2 0 142.246 0.894 10 0 ACAERP [NH3+]C1CCC(C[NH2+][C@H]2CC[NH2+]C2)CC1 257817226 573451069 /nfs/dbraw/zinc/45/10/69/573451069.db2.gz DRWWGIAXVXQXIL-ILDUYXDCSA-N 3 0 197.326 0.455 10 0 ACAERP CCn1nc2c(c1C[NH3+])CC[N@@H+](C)C2 257816784 573451105 /nfs/dbraw/zinc/45/11/05/573451105.db2.gz DNPXOKQIYNBXPB-UHFFFAOYSA-N 2 0 194.282 0.350 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCC[C@@]12CCOC2 308588830 573451118 /nfs/dbraw/zinc/45/11/18/573451118.db2.gz UEKRYFDOLVGZAA-NSHDSACASA-N 2 0 198.310 0.980 10 0 ACAERP CN(C)[C@@H]1CCCC[NH2+]1 107259564 573451742 /nfs/dbraw/zinc/45/17/42/573451742.db2.gz JLWYGCXXSQYBQW-SSDOTTSWSA-N 2 0 128.219 0.648 10 0 ACAERP CC(=O)C[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259452953 573451317 /nfs/dbraw/zinc/45/13/17/573451317.db2.gz OFLIOSFTYYMGDF-IUCAKERBSA-N 2 0 170.256 0.245 10 0 ACAERP CC[C@@H]1C[NH2+]CC[C@H]1[NH+](C)C 142532231 573451480 /nfs/dbraw/zinc/45/14/80/573451480.db2.gz NMAQNNVQRBLRNH-RKDXNWHRSA-N 2 0 156.273 0.936 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H]2COCCC[NH2+]2)C1 83276153 573451482 /nfs/dbraw/zinc/45/14/82/573451482.db2.gz WXDULWHXLWKEEG-ZJUUUORDSA-N 2 0 184.283 0.317 10 0 ACAERP C[C@H](C[NH+]1CCCCC1)N(C)CC[NH3+] 308588852 573451509 /nfs/dbraw/zinc/45/15/09/573451509.db2.gz UFKFMXXTFGHUAG-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP C[C@@H]1CCC[NH2+][C@@H]1N(C)C 107259613 573453188 /nfs/dbraw/zinc/45/31/88/573453188.db2.gz YEILFIUEKUESHD-HTQZYQBOSA-N 2 0 142.246 0.894 10 0 ACAERP C[C@@H]([C@@H]([NH3+])C1CCC1)N1CC[NH2+]CC1 259449589 573452252 /nfs/dbraw/zinc/45/22/52/573452252.db2.gz OACVTKPTAOZYOE-GXSJLCMTSA-N 2 0 197.326 0.408 10 0 ACAERP CC(C)[C@H]([NH3+])CN(C)[C@H]1CC[N@H+](C)C1 308588080 573452236 /nfs/dbraw/zinc/45/22/36/573452236.db2.gz TWLXLMWILARCIB-WDEREUQCSA-N 2 0 199.342 0.606 10 0 ACAERP 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172.272 0.350 10 0 ACAERP C[C@]1(CO)C[C@H]([C@H]2CCC[NH2+]C2)C[NH2+]1 258367387 573462970 /nfs/dbraw/zinc/46/29/70/573462970.db2.gz ZVYROIKNKRGYGJ-GARJFASQSA-N 2 0 198.310 0.347 10 0 ACAERP CC1(C)C[C@@H]([NH2+]C/C=C\CO)CC[NH2+]1 717439206 573462994 /nfs/dbraw/zinc/46/29/94/573462994.db2.gz ZUUGHKWSNOKZNF-XOULXFPDSA-N 2 0 198.310 0.655 10 0 ACAERP C[C@@]1(CC[NH3+])CC[NH2+]C1 259100218 573462998 /nfs/dbraw/zinc/46/29/98/573462998.db2.gz DQVMMTYDRMLLCN-SSDOTTSWSA-N 2 0 128.219 0.335 10 0 ACAERP CC1(C)C[NH2+][C@H](C[C@H]2CC[NH2+]C2)O1 258382947 573463000 /nfs/dbraw/zinc/46/30/00/573463000.db2.gz HJPXBGBOUAGARM-BDAKNGLRSA-N 2 0 184.283 0.711 10 0 ACAERP C[NH2+][C@H](C)C1CC([NH3+])C1 259457671 573463039 /nfs/dbraw/zinc/46/30/39/573463039.db2.gz PJPBMFXMYPLUNZ-GRQBKTHUSA-N 2 0 128.219 0.332 10 0 ACAERP C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 86494653 573463120 /nfs/dbraw/zinc/46/31/20/573463120.db2.gz LSVMFIQVAIXOBF-YUMQZZPRSA-N 2 0 142.246 0.736 10 0 ACAERP C[NH2+][C@@H](CN1CC[NH2+]CC1)C1CCC1 259459335 573463247 /nfs/dbraw/zinc/46/32/47/573463247.db2.gz PKRVBELNHBTIOU-NSHDSACASA-N 2 0 197.326 0.280 10 0 ACAERP CO[C@]1(CC[NH3+])CC[N@@H+](C2CC2)C1 257814533 573463308 /nfs/dbraw/zinc/46/33/08/573463308.db2.gz CKPZQHHPFHWLDY-SNVBAGLBSA-N 2 0 184.283 0.589 10 0 ACAERP C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 86494655 573463392 /nfs/dbraw/zinc/46/33/92/573463392.db2.gz LSVMFIQVAIXOBF-SFYZADRCSA-N 2 0 142.246 0.736 10 0 ACAERP CC(C)(C)[NH+]1CCC(C[NH3+])(C[NH3+])CC1 259458353 573463397 /nfs/dbraw/zinc/46/33/97/573463397.db2.gz WWJDXTSRQGMNDD-UHFFFAOYSA-N 2 0 199.342 0.785 10 0 ACAERP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCC[NH2+]C2)OC1 258366559 573463465 /nfs/dbraw/zinc/46/34/65/573463465.db2.gz GPDPJABXKXDUKV-GMTAPVOTSA-N 2 0 198.310 0.958 10 0 ACAERP [NH3+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 86494081 573463488 /nfs/dbraw/zinc/46/34/88/573463488.db2.gz FTLXWMAYHKKWOE-HLTSFMKQSA-N 2 0 154.257 0.866 10 0 ACAERP CCO[C@H](C[NH3+])[C@H]1CCC[NH2+]C1 257815377 573463518 /nfs/dbraw/zinc/46/35/18/573463518.db2.gz CTFVYRPQIGKLQG-DTWKUNHWSA-N 2 0 172.272 0.350 10 0 ACAERP C[C@@H]1C[NH2+][C@](C)([C@@H]2CCC[NH2+]C2)OC1 258366561 573463595 /nfs/dbraw/zinc/46/35/95/573463595.db2.gz GPDPJABXKXDUKV-MXWKQRLJSA-N 2 0 198.310 0.958 10 0 ACAERP C[C@@H](C[NH3+])OP1[NH2+]C[C@@H](C)O1 238404726 573463733 /nfs/dbraw/zinc/46/37/33/573463733.db2.gz QLISTAKZNKZKMR-CXPMQJMOSA-N 2 0 178.172 0.585 10 0 ACAERP C[C@@H](C[NH3+])C[C@@H]([NH3+])c1ccc[nH]1 259463689 573466697 /nfs/dbraw/zinc/46/66/97/573466697.db2.gz RDVUGAKFPBTQCW-HTQZYQBOSA-N 2 0 167.256 0.999 10 0 ACAERP C[C@@H]1C[NH2+][C@H](C[C@@H]2CC[NH2+]C2)OC1 258377805 573463993 /nfs/dbraw/zinc/46/39/93/573463993.db2.gz HDLWPHRYRCXRNU-UTLUCORTSA-N 2 0 184.283 0.568 10 0 ACAERP C[C@@H]1C[NH2+][C@@H](C[C@H]2CC[NH2+]C2)OC1 258377800 573463999 /nfs/dbraw/zinc/46/39/99/573463999.db2.gz HDLWPHRYRCXRNU-OPRDCNLKSA-N 2 0 184.283 0.568 10 0 ACAERP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CC[NH2+]C2)O1 258369199 573464056 /nfs/dbraw/zinc/46/40/56/573464056.db2.gz GRRWGVIXYUOXEJ-BBBLOLIVSA-N 2 0 184.283 0.711 10 0 ACAERP CO[C@@]1(C[NH3+])CCC[N@@H+](C2CC2)CC1 257814866 573464116 /nfs/dbraw/zinc/46/41/16/573464116.db2.gz BICHWQDZIZNFDC-NSHDSACASA-N 2 0 198.310 0.979 10 0 ACAERP COc1cc(C[NH3+])c(F)cc1C[NH3+] 258035078 573464132 /nfs/dbraw/zinc/46/41/32/573464132.db2.gz PNTMJAOKLZEEMP-UHFFFAOYSA-N 2 0 184.214 0.752 10 0 ACAERP CO[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CC1 686245068 573464186 /nfs/dbraw/zinc/46/41/86/573464186.db2.gz OJHOINTYSOIXHC-LDYMZIIASA-N 2 0 198.310 0.609 10 0 ACAERP [NH3+][C@@H](c1cc[nH]c1)C1C[NH2+]C1 259463747 573464238 /nfs/dbraw/zinc/46/42/38/573464238.db2.gz RFNUBRGKVBRFBE-QMMMGPOBSA-N 2 0 151.213 0.234 10 0 ACAERP CC(C)(C[NH3+])[C@@H]([NH3+])c1cc[nH]c1 259463719 573464246 /nfs/dbraw/zinc/46/42/46/573464246.db2.gz REQKNOVOFHHMTF-QMMMGPOBSA-N 2 0 167.256 0.999 10 0 ACAERP C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 86494657 573464431 /nfs/dbraw/zinc/46/44/31/573464431.db2.gz LSVMFIQVAIXOBF-JGVFFNPUSA-N 2 0 142.246 0.736 10 0 ACAERP C[C@@H]1CO[C@H](C2CC[NH+](C)CC2)[NH2+]1 258397130 573464672 /nfs/dbraw/zinc/46/46/72/573464672.db2.gz IDANVRKIWWSNJS-PSASIEDQSA-N 2 0 184.283 0.663 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])CC[NH3+])C1 259462047 573464726 /nfs/dbraw/zinc/46/47/26/573464726.db2.gz RCSBBTNDWADFRI-IUCAKERBSA-N 3 0 171.288 0.004 10 0 ACAERP C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 86494660 573464961 /nfs/dbraw/zinc/46/49/61/573464961.db2.gz LSVMFIQVAIXOBF-HTQZYQBOSA-N 2 0 142.246 0.736 10 0 ACAERP C[C@@H]([NH3+])c1ccnn1[C@@H]1CCC[NH2+]C1 257820634 573465303 /nfs/dbraw/zinc/46/53/03/573465303.db2.gz FSRRZDXPOAEWQC-RKDXNWHRSA-N 2 0 194.282 0.827 10 0 ACAERP C[NH2+]C(C)(C)[C@H]([NH3+])C1CC[NH+](C)CC1 259462016 573465309 /nfs/dbraw/zinc/46/53/09/573465309.db2.gz RCNXBIIUEQXCAQ-SNVBAGLBSA-N 3 0 199.342 0.654 10 0 ACAERP CO[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)C1CC1 686245065 573465320 /nfs/dbraw/zinc/46/53/20/573465320.db2.gz OJHOINTYSOIXHC-KCJUWKMLSA-N 2 0 198.310 0.609 10 0 ACAERP C[C@H]([NH3+])c1ccnn1[C@H]1CCC[NH2+]C1 257820633 573465361 /nfs/dbraw/zinc/46/53/61/573465361.db2.gz FSRRZDXPOAEWQC-IUCAKERBSA-N 2 0 194.282 0.827 10 0 ACAERP CC(C)[N@@H+]1CC[C@](O)(C[NH3+])[C@H]1C 107225675 573465534 /nfs/dbraw/zinc/46/55/34/573465534.db2.gz UGEAQBCZLYUBNB-BDAKNGLRSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@H]([NH3+])C(F)(F)C1CC[NH2+]CC1 257815735 573465598 /nfs/dbraw/zinc/46/55/98/573465598.db2.gz CWHMBCSWIQJIHM-LURJTMIESA-N 2 0 178.226 0.969 10 0 ACAERP C[C@@H]1CN[C@@](C)(C[C@H]2CCC[NH2+]2)O1 258399958 573465651 /nfs/dbraw/zinc/46/56/51/573465651.db2.gz IJHOOBKCEHLUND-OPRDCNLKSA-N 2 0 184.283 0.853 10 0 ACAERP C[NH2+]C[C@H](C[NH3+])C1CC[NH+](C)CC1 258035409 573465800 /nfs/dbraw/zinc/46/58/00/573465800.db2.gz GRXNNRNLVGYJJI-JTQLQIEISA-N 3 0 185.315 0.123 10 0 ACAERP [NH3+][C@H](c1cc[nH]c1)C1C[NH2+]C1 259463746 573465864 /nfs/dbraw/zinc/46/58/64/573465864.db2.gz RFNUBRGKVBRFBE-MRVPVSSYSA-N 2 0 151.213 0.234 10 0 ACAERP C[NH2+]CCCc1cnn(C2C[NH2+]C2)c1 257815597 573465896 /nfs/dbraw/zinc/46/58/96/573465896.db2.gz DAFFPRFVQBPZOI-UHFFFAOYSA-N 2 0 194.282 0.179 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@H]([NH3+])CC[NH3+])C1 259462049 573465925 /nfs/dbraw/zinc/46/59/25/573465925.db2.gz RCSBBTNDWADFRI-RKDXNWHRSA-N 3 0 171.288 0.004 10 0 ACAERP C[C@@H]1CN[C@@](C)(C[C@@H]2CCC[NH2+]2)O1 258399953 573465958 /nfs/dbraw/zinc/46/59/58/573465958.db2.gz IJHOOBKCEHLUND-KXUCPTDWSA-N 2 0 184.283 0.853 10 0 ACAERP C[C@@H]([NH3+])Cc1[nH+]cc2cccc(O)n12 258394928 573466132 /nfs/dbraw/zinc/46/61/32/573466132.db2.gz UMTPAKXNZNHADW-SSDOTTSWSA-N 2 0 191.234 0.930 10 0 ACAERP C[C@H]1CO[C@H](C2CC[NH+](C)CC2)[NH2+]1 258397133 573466121 /nfs/dbraw/zinc/46/61/21/573466121.db2.gz IDANVRKIWWSNJS-WCBMZHEXSA-N 2 0 184.283 0.663 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])CC[NH3+])C1 259462043 573466151 /nfs/dbraw/zinc/46/61/51/573466151.db2.gz RCSBBTNDWADFRI-BDAKNGLRSA-N 3 0 171.288 0.004 10 0 ACAERP C[C@@H]([NH3+])C(F)(F)C1CC[NH2+]CC1 257815736 573466156 /nfs/dbraw/zinc/46/61/56/573466156.db2.gz CWHMBCSWIQJIHM-ZCFIWIBFSA-N 2 0 178.226 0.969 10 0 ACAERP C[C@H](C[NH3+])C[C@H]([NH3+])c1ccc[nH]1 259463692 573466180 /nfs/dbraw/zinc/46/61/80/573466180.db2.gz RDVUGAKFPBTQCW-YUMQZZPRSA-N 2 0 167.256 0.999 10 0 ACAERP [NH3+]Cc1cnoc1C[C@@H]1CCC[NH2+]C1 258395076 573466188 /nfs/dbraw/zinc/46/61/88/573466188.db2.gz BJUQMYBUJAMVCW-QMMMGPOBSA-N 2 0 195.266 0.675 10 0 ACAERP CO[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)C1CC1 686245064 573466196 /nfs/dbraw/zinc/46/61/96/573466196.db2.gz OJHOINTYSOIXHC-GZMMTYOYSA-N 2 0 198.310 0.609 10 0 ACAERP C1CC[C@H](CNC2=[NH+]CCCO2)[NH2+]C1 258035500 573466229 /nfs/dbraw/zinc/46/62/29/573466229.db2.gz IYVLHDOKVLPBIS-SECBINFHSA-N 2 0 197.282 0.494 10 0 ACAERP C[N@H+](CC1CCCC1)[C@H](CN)CO 130114509 573466283 /nfs/dbraw/zinc/46/62/83/573466283.db2.gz NACYSRHWKKVUID-SNVBAGLBSA-N 2 0 186.299 0.428 10 0 ACAERP CC(C)(C[NH3+])[C@H]([NH3+])c1cc[nH]c1 259463718 573466370 /nfs/dbraw/zinc/46/63/70/573466370.db2.gz REQKNOVOFHHMTF-MRVPVSSYSA-N 2 0 167.256 0.999 10 0 ACAERP [NH3+]Cc1cnoc1C[C@H]1CCC[NH2+]C1 258395075 573466396 /nfs/dbraw/zinc/46/63/96/573466396.db2.gz BJUQMYBUJAMVCW-MRVPVSSYSA-N 2 0 195.266 0.675 10 0 ACAERP [NH3+][C@@H](CC[NH2+]C[C@@H]1CCOC1)C1CC1 130090264 573466509 /nfs/dbraw/zinc/46/65/09/573466509.db2.gz FMLULKNHSZWWKM-ONGXEEELSA-N 2 0 198.310 0.740 10 0 ACAERP CC[C@H](C)[N@H+](C)C[C@@](C)(O)C[NH3+] 223301329 573466585 /nfs/dbraw/zinc/46/65/85/573466585.db2.gz BQMYAELZCRIHQS-IUCAKERBSA-N 2 0 174.288 0.426 10 0 ACAERP C[N@@H+]1CCC[C@@H]1Cc1oncc1C[NH3+] 258393207 573466589 /nfs/dbraw/zinc/46/65/89/573466589.db2.gz BGWOJPAJCKOLHZ-SECBINFHSA-N 2 0 195.266 0.770 10 0 ACAERP C[NH2+]CCCC[N@H+]1C[C@@H]2[C@@H](CO)[C@@H]2C1 258035766 573466604 /nfs/dbraw/zinc/46/66/04/573466604.db2.gz QQSYTUMQZGYZGP-URLYPYJESA-N 2 0 198.310 0.156 10 0 ACAERP CC1(C)CO[C@H]([C@@H]2CCC[NH2+]C2)N1 258358084 573466663 /nfs/dbraw/zinc/46/66/63/573466663.db2.gz GEIUVXNEFYLSIV-RKDXNWHRSA-N 2 0 184.283 0.711 10 0 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10 0 ACAERP C[C@H]([NH3+])C[NH2+]CCc1ccccn1 258792797 573576526 /nfs/dbraw/zinc/57/65/26/573576526.db2.gz QKOQSCDBXXHIFV-VIFPVBQESA-N 2 0 179.267 0.561 10 0 ACAERP [NH3+]C[C@@H]([C@@H]1CCCC[NH2+]1)N1CCCC1 214912149 573577633 /nfs/dbraw/zinc/57/76/33/573577633.db2.gz OFFGKQJEQGLAFQ-QWRGUYRKSA-N 2 0 197.326 0.552 10 0 ACAERP C1CC(C[NH2+]C2CCOCC2)CC[NH2+]1 86700557 573577642 /nfs/dbraw/zinc/57/76/42/573577642.db2.gz QIZPXJFPIJSBAM-UHFFFAOYSA-N 2 0 198.310 0.755 10 0 ACAERP C[N@@H+]1CC[C@@H](NCC(C)(C)C[NH3+])C1 258791405 573577713 /nfs/dbraw/zinc/57/77/13/573577713.db2.gz QEIJRGHJXWHXOG-SECBINFHSA-N 2 0 185.315 0.265 10 0 ACAERP [NH3+]C[C@H]([C@@H]1CCCC[NH2+]1)N1CCCC1 214912049 573577714 /nfs/dbraw/zinc/57/77/14/573577714.db2.gz OFFGKQJEQGLAFQ-WDEREUQCSA-N 2 0 197.326 0.552 10 0 ACAERP [NH3+]C[C@@H]([C@@H]1CCC[NH2+]1)N1CCCCC1 214912935 573577776 /nfs/dbraw/zinc/57/77/76/573577776.db2.gz RRTGQDOFHQCQPQ-QWRGUYRKSA-N 2 0 197.326 0.552 10 0 ACAERP CN(C)CC(C)(C)[NH2+]CCCCO 308636645 573577945 /nfs/dbraw/zinc/57/79/45/573577945.db2.gz NCKGWPKHZBLDTK-UHFFFAOYSA-N 2 0 188.315 0.689 10 0 ACAERP [NH3+][C@@H](CO)Cc1cnc2ccccn12 82389608 573577958 /nfs/dbraw/zinc/57/79/58/573577958.db2.gz IZUKYISEGRZSKI-MRVPVSSYSA-N 2 0 191.234 0.196 10 0 ACAERP C[NH2+]CNC[C@H]1CCC[N@H+](C)C1 258790884 573577987 /nfs/dbraw/zinc/57/79/87/573577987.db2.gz CJJOUTADYUTTII-SECBINFHSA-N 2 0 171.288 0.095 10 0 ACAERP CN1CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])C1 258789565 573578024 /nfs/dbraw/zinc/57/80/24/573578024.db2.gz PXRQQSRMPNWMME-SNVBAGLBSA-N 2 0 199.342 0.798 10 0 ACAERP CC[NH+]1CCC([C@@H]([NH3+])CN)CC1 258065586 573578154 /nfs/dbraw/zinc/57/81/54/573578154.db2.gz IHTCWCFSIJLGGU-VIFPVBQESA-N 2 0 171.288 0.004 10 0 ACAERP [NH3+]C[C@H]([C@@H]1CC[NH2+]C1)N1CCCCC1 214913304 573578218 /nfs/dbraw/zinc/57/82/18/573578218.db2.gz ACGLHPHQEMNCKJ-GHMZBOCLSA-N 2 0 197.326 0.409 10 0 ACAERP COC[C@@H](C)C[N@H+](C)CC[C@@H](C)[NH3+] 308401951 573578300 /nfs/dbraw/zinc/57/83/00/573578300.db2.gz IWAPXDJPFVMZNC-VHSXEESVSA-N 2 0 188.315 0.938 10 0 ACAERP [NH3+]C[C@H]([C@@H]1CCC[NH2+]C1)N1CCCC1 214912424 573578347 /nfs/dbraw/zinc/57/83/47/573578347.db2.gz RNPPRYVZZFHYPJ-GHMZBOCLSA-N 2 0 197.326 0.409 10 0 ACAERP C[C@@H]1C[N@H+](C)C[C@H]2CCC[NH2+][C@H]12 107404434 573578359 /nfs/dbraw/zinc/57/83/59/573578359.db2.gz PQMCJYUGLQUSCM-OPRDCNLKSA-N 2 0 168.284 0.936 10 0 ACAERP CC[NH+]1CCC([C@H]([NH3+])CN)CC1 258065584 573578401 /nfs/dbraw/zinc/57/84/01/573578401.db2.gz IHTCWCFSIJLGGU-SECBINFHSA-N 2 0 171.288 0.004 10 0 ACAERP NC[C@H](C1CC[NH2+]CC1)[NH+]1CCCC1 214912753 573578417 /nfs/dbraw/zinc/57/84/17/573578417.db2.gz SCPOFYOJXRMNFJ-LLVKDONJSA-N 2 0 197.326 0.409 10 0 ACAERP CN1CC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 86700838 573578444 /nfs/dbraw/zinc/57/84/44/573578444.db2.gz IJZGHARTJKWLDG-LLVKDONJSA-N 3 0 197.326 0.280 10 0 ACAERP C[C@@H]([NH3+])C[NH2+]CCc1ccccn1 258792795 573578474 /nfs/dbraw/zinc/57/84/74/573578474.db2.gz QKOQSCDBXXHIFV-SECBINFHSA-N 2 0 179.267 0.561 10 0 ACAERP C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C(C)(C)C1 107404445 573578477 /nfs/dbraw/zinc/57/84/77/573578477.db2.gz ISYMPFVKEVQYDX-IUCAKERBSA-N 2 0 168.284 0.936 10 0 ACAERP C1CC([C@H]2CC[NH2+]C2)CC[NH2+]1 144403723 573578485 /nfs/dbraw/zinc/57/84/85/573578485.db2.gz RSFPJJIANDNPLH-VIFPVBQESA-N 2 0 154.257 0.596 10 0 ACAERP C[C@@H]([NH3+])C[NH2+]CCC1CCOCC1 258789499 573578496 /nfs/dbraw/zinc/57/84/96/573578496.db2.gz PWLRAQIEDVHKBQ-SECBINFHSA-N 2 0 186.299 0.740 10 0 ACAERP NC[C@@H](C1CC[NH2+]CC1)[NH+]1CCCC1 214912706 573578580 /nfs/dbraw/zinc/57/85/80/573578580.db2.gz SCPOFYOJXRMNFJ-NSHDSACASA-N 2 0 197.326 0.409 10 0 ACAERP [NH3+]C[C@]1(F)CCN(C2CC2)C1 259516180 573578750 /nfs/dbraw/zinc/57/87/50/573578750.db2.gz ZVYJEDVUTBJLPC-MRVPVSSYSA-N 2 0 158.220 0.522 10 0 ACAERP COCCC[NH2+]CC[C@@H]1CCC[NH2+]1 258796267 573578772 /nfs/dbraw/zinc/57/87/72/573578772.db2.gz SCJPPUDAKWGXMH-JTQLQIEISA-N 2 0 186.299 0.755 10 0 ACAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C1CCOCC1 258787144 573578796 /nfs/dbraw/zinc/57/87/96/573578796.db2.gz BRURBHWVWZPAEE-NXEZZACHSA-N 2 0 184.283 0.635 10 0 ACAERP CN1CCC[C@H]([NH2+]CCC(C)(C)[NH3+])C1 258789562 573578903 /nfs/dbraw/zinc/57/89/03/573578903.db2.gz PXRQQSRMPNWMME-JTQLQIEISA-N 2 0 199.342 0.798 10 0 ACAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]C1CCOCC1 258787147 573579007 /nfs/dbraw/zinc/57/90/07/573579007.db2.gz BRURBHWVWZPAEE-UWVGGRQHSA-N 2 0 184.283 0.635 10 0 ACAERP C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238440460 573579155 /nfs/dbraw/zinc/57/91/55/573579155.db2.gz SSYKFVMMELQRAZ-QEYWKRMJSA-N 2 0 184.283 0.321 10 0 ACAERP C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)CC[NH2+]1 717494112 573579179 /nfs/dbraw/zinc/57/91/79/573579179.db2.gz ZNFWCLQZPOSKKH-NBYFHADBSA-N 2 0 184.283 0.265 10 0 ACAERP C1COC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 86701167 573579216 /nfs/dbraw/zinc/57/92/16/573579216.db2.gz FHSJPBYMRUFMOM-LLVKDONJSA-N 2 0 198.310 0.755 10 0 ACAERP [NH3+]C[C@@H]([C@@H]1CC[NH2+]C1)N1CCCCC1 214913256 573579277 /nfs/dbraw/zinc/57/92/77/573579277.db2.gz ACGLHPHQEMNCKJ-MNOVXSKESA-N 2 0 197.326 0.409 10 0 ACAERP CC1(C)CO[C@@](C)([C@H]2CC[NH2+]C2)[NH2+]1 258503066 573579316 /nfs/dbraw/zinc/57/93/16/573579316.db2.gz MFBVYPIYNWRRBR-WPRPVWTQSA-N 2 0 184.283 0.711 10 0 ACAERP CC1(C)CO[C@](C)([C@H]2CC[NH2+]C2)[NH2+]1 258503063 573579332 /nfs/dbraw/zinc/57/93/32/573579332.db2.gz MFBVYPIYNWRRBR-WCBMZHEXSA-N 2 0 184.283 0.711 10 0 ACAERP [NH3+]C[C@@H]([C@@H]1CCC[NH2+]C1)N1CCCC1 214912376 573579390 /nfs/dbraw/zinc/57/93/90/573579390.db2.gz RNPPRYVZZFHYPJ-MNOVXSKESA-N 2 0 197.326 0.409 10 0 ACAERP C[NH2+]CN(C)CC[C@@H]1CC[N@H+](C)C1 258795094 573579406 /nfs/dbraw/zinc/57/94/06/573579406.db2.gz CTWSOSQUCFTCLF-JTQLQIEISA-N 2 0 185.315 0.437 10 0 ACAERP CN([C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])C1CC1 126537288 573579530 /nfs/dbraw/zinc/57/95/30/573579530.db2.gz GVCNUYUAZPFHJJ-QWRGUYRKSA-N 2 0 197.326 0.360 10 0 ACAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C1CCOCC1 258787152 573579752 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BRURBHWVWZPAEE-VHSXEESVSA-N 2 0 184.283 0.635 10 0 ACAERP CC1(C)CO[C@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 258503059 573580220 /nfs/dbraw/zinc/58/02/20/573580220.db2.gz MFBVYPIYNWRRBR-PSASIEDQSA-N 2 0 184.283 0.711 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@@H](C[NH3+])N2CCC2)C1 214912636 573580240 /nfs/dbraw/zinc/58/02/40/573580240.db2.gz MGTOBRSXKWQXOX-GHMZBOCLSA-N 2 0 197.326 0.361 10 0 ACAERP [NH3+]C[C@@H]([C@H]1CCC[NH2+]1)N1CCCCC1 214913034 573580265 /nfs/dbraw/zinc/58/02/65/573580265.db2.gz RRTGQDOFHQCQPQ-MNOVXSKESA-N 2 0 197.326 0.552 10 0 ACAERP [NH3+]C[C@H]([C@H]1CCC[NH2+]1)N1CCCCC1 214913082 573580287 /nfs/dbraw/zinc/58/02/87/573580287.db2.gz RRTGQDOFHQCQPQ-GHMZBOCLSA-N 2 0 197.326 0.552 10 0 ACAERP C[NH+]1CCC([C@H](C[NH3+])N2CCC2)CC1 214912869 573580324 /nfs/dbraw/zinc/58/03/24/573580324.db2.gz VZXIMLQUPSHFES-NSHDSACASA-N 2 0 197.326 0.361 10 0 ACAERP C[NH+]1CCC([C@@H](C[NH3+])N2CCC2)CC1 214912818 573580354 /nfs/dbraw/zinc/58/03/54/573580354.db2.gz VZXIMLQUPSHFES-LLVKDONJSA-N 2 0 197.326 0.361 10 0 ACAERP COC[C@@H](C)C[N@H+](C)CC[C@H](C)[NH3+] 308401678 573580383 /nfs/dbraw/zinc/58/03/83/573580383.db2.gz IWAPXDJPFVMZNC-UWVGGRQHSA-N 2 0 188.315 0.938 10 0 ACAERP C[NH2+]C(C)(C)CN[C@@H]1CC[N@H+](C)C1 258789350 573580401 /nfs/dbraw/zinc/58/04/01/573580401.db2.gz CIIQSYKDFXYNIS-SECBINFHSA-N 2 0 185.315 0.278 10 0 ACAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CCCc1nnc[nH]1 308639681 573580499 /nfs/dbraw/zinc/58/04/99/573580499.db2.gz CNBNKWUBAFYYFD-HTQZYQBOSA-N 2 0 197.286 0.063 10 0 ACAERP OCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 308639666 573580638 /nfs/dbraw/zinc/58/06/38/573580638.db2.gz CMCVEMNYVPTNGM-GHMZBOCLSA-N 2 0 198.310 0.300 10 0 ACAERP C1COC[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 86701165 573580690 /nfs/dbraw/zinc/58/06/90/573580690.db2.gz FHSJPBYMRUFMOM-NSHDSACASA-N 2 0 198.310 0.755 10 0 ACAERP C[NH2+]CC(C)(C)C(C)(C)[NH3+] 83645649 573580691 /nfs/dbraw/zinc/58/06/91/573580691.db2.gz ZBBFKOJZPIWXAH-UHFFFAOYSA-N 2 0 144.262 0.969 10 0 ACAERP C[C@H]([NH3+])[C@H](O)c1cnc2ccccn12 82389611 573580729 /nfs/dbraw/zinc/58/07/29/573580729.db2.gz UCACUBXREFOSRG-XVKPBYJWSA-N 2 0 191.234 0.715 10 0 ACAERP OC1CC(C[NH2+]CC2CC[NH2+]CC2)C1 86701516 573580753 /nfs/dbraw/zinc/58/07/53/573580753.db2.gz WOEDMJRITBWAMN-UHFFFAOYSA-N 2 0 198.310 0.347 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)[NH2+]CCCc1nnc[nH]1 308639682 573580796 /nfs/dbraw/zinc/58/07/96/573580796.db2.gz CNBNKWUBAFYYFD-JGVFFNPUSA-N 2 0 197.286 0.063 10 0 ACAERP C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238440443 573580977 /nfs/dbraw/zinc/58/09/77/573580977.db2.gz SSYKFVMMELQRAZ-AATLWQCWSA-N 2 0 184.283 0.321 10 0 ACAERP C[C@H](C[NH3+])CN(C)[C@@H]1CC[N@H+](C)C1 258803312 573580992 /nfs/dbraw/zinc/58/09/92/573580992.db2.gz RPPAMHWDVZIYKS-NXEZZACHSA-N 2 0 185.315 0.217 10 0 ACAERP CNCC[NH2+]CC[C@H]1CCC[N@H+](C)C1 258803388 573581106 /nfs/dbraw/zinc/58/11/06/573581106.db2.gz RQMJEFQYBSJVQL-LLVKDONJSA-N 2 0 199.342 0.527 10 0 ACAERP C[NH2+][C@H](CCC[NH3+])[C@@H]1CC[N@H+](C)C1 259115837 573581159 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COC[C@H](C)CN(C)[C@H](C)C(N)=[NH2+] 308404357 573590180 /nfs/dbraw/zinc/59/01/80/573590180.db2.gz KOYWTADCRHEAMA-HTQZYQBOSA-N 2 0 187.287 0.525 10 0 ACAERP [NH3+]CC1([C@H]2CCC[NH2+]C2)CC(O)C1 259519059 573591066 /nfs/dbraw/zinc/59/10/66/573591066.db2.gz AEEXJNANAJANJG-IDKOKCKLSA-N 2 0 184.283 0.086 10 0 ACAERP C[NH+](C)[C@H]1COCC[C@H]1CCC[NH3+] 82392007 573591316 /nfs/dbraw/zinc/59/13/16/573591316.db2.gz BKBWVBUZIXDPIS-ZJUUUORDSA-N 2 0 186.299 0.692 10 0 ACAERP COCCN1C[C@H]([NH3+])CCC1(C)C 259520905 573591523 /nfs/dbraw/zinc/59/15/23/573591523.db2.gz VGKUKWBKHONXQS-SECBINFHSA-N 2 0 186.299 0.835 10 0 ACAERP CN(C[NH3+])CC[C@H]1CCC[N@H+](C)C1 258810859 573591705 /nfs/dbraw/zinc/59/17/05/573591705.db2.gz FJASUNDXOCBUEB-SNVBAGLBSA-N 2 0 185.315 0.566 10 0 ACAERP C[C@H]1C[N@H+](C)[C@H](C)C[C@@]1(N)C[NH3+] 238443448 573591738 /nfs/dbraw/zinc/59/17/38/573591738.db2.gz KFQVFNJBPFQYJK-DJLDLDEBSA-N 2 0 171.288 0.003 10 0 ACAERP CCC[NH2+]CC1CC([NH3+])C1 258787890 573591800 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CRHKDQGQXWRRGI-SNVBAGLBSA-N 2 0 198.241 0.235 10 0 ACAERP C[C@@H]1S[C@@]2(CC[N@H+](C)C2)C[C@H]1[NH3+] 82391959 573593638 /nfs/dbraw/zinc/59/36/38/573593638.db2.gz QLMRXPKQWNSAGI-YIZRAAEISA-N 2 0 186.324 0.913 10 0 ACAERP CC[C@H]([NH3+])[C@H](C)CN1CC[NH2+]CC1 259522799 573597833 /nfs/dbraw/zinc/59/78/33/573597833.db2.gz SFXGRLSRJUUVGD-ZJUUUORDSA-N 2 0 185.315 0.265 10 0 ACAERP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)C1CC1 686243443 573594739 /nfs/dbraw/zinc/59/47/39/573594739.db2.gz NTYAJWXBMNSTQW-YUMQZZPRSA-N 2 0 168.284 0.982 10 0 ACAERP C1C[C@@H](N[C@H]2CC[N@@H+](C3CC3)C2)C[NH2+]1 86729516 573594752 /nfs/dbraw/zinc/59/47/52/573594752.db2.gz QRWLRSLLXHZBEP-ZJUUUORDSA-N 2 0 195.310 0.175 10 0 ACAERP CN(C[NH3+])CC[C@@H]1CCC[N@H+](C)C1 258810858 573594780 /nfs/dbraw/zinc/59/47/80/573594780.db2.gz FJASUNDXOCBUEB-JTQLQIEISA-N 2 0 185.315 0.566 10 0 ACAERP [NH3+][C@H](CO)CC[N@H+]1C[C@H]2CCC[C@H]2C1 126641276 573594864 /nfs/dbraw/zinc/59/48/64/573594864.db2.gz NQPXCELSICOFLN-AXFHLTTASA-N 2 0 198.310 0.428 10 0 ACAERP [NH3+][C@H]1Cc2nc3cc(O)ccc3n2C1 259523325 573595082 /nfs/dbraw/zinc/59/50/82/573595082.db2.gz ALIYRXAWFQPRHM-LURJTMIESA-N 2 0 189.218 0.625 10 0 ACAERP C[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 86729501 573594912 /nfs/dbraw/zinc/59/49/12/573594912.db2.gz KSEYZROOWSEDNF-MNOVXSKESA-N 2 0 197.326 0.422 10 0 ACAERP [NH3+]C1CCC([NH2+]CC2CC(O)C2)CC1 86730874 573594934 /nfs/dbraw/zinc/59/49/34/573594934.db2.gz HEIZSTUCKQAEIV-UHFFFAOYSA-N 2 0 198.310 0.617 10 0 ACAERP CC(C)(O)C[NH2+]C1CCC([NH3+])CC1 86730595 573595052 /nfs/dbraw/zinc/59/50/52/573595052.db2.gz VLCUAQKKNJDTBF-UHFFFAOYSA-N 2 0 186.299 0.617 10 0 ACAERP [NH3+][C@@H]1C[C@@H]1[C@H]1CCC[NH2+]C1 259137211 573595053 /nfs/dbraw/zinc/59/50/53/573595053.db2.gz GIMAEHMHVSYLMF-XLPZGREQSA-N 2 0 140.230 0.333 10 0 ACAERP C[C@@H]([NH3+])C[C@@H]([NH3+])c1ccncc1 259138809 573600832 /nfs/dbraw/zinc/60/08/32/573600832.db2.gz CSWWJJHRTWECQT-VXNVDRBHSA-N 2 0 165.240 0.819 10 0 ACAERP C1C[C@@H](N[C@@H]2C[NH+]3CCC2CC3)C[NH2+]1 86724830 573595482 /nfs/dbraw/zinc/59/54/82/573595482.db2.gz UIXFRTHBJASOBJ-GHMZBOCLSA-N 2 0 195.310 0.032 10 0 ACAERP C[C@H]([NH3+])C(C)(C)[NH+](C)C 78724467 573595524 /nfs/dbraw/zinc/59/55/24/573595524.db2.gz WUTRWVHGZAPDGG-LURJTMIESA-N 2 0 130.235 0.674 10 0 ACAERP C1C[NH2+]C[C@]2(C1)C[C@@H]2[C@@H]1CC[NH2+]C1 259523212 573595532 /nfs/dbraw/zinc/59/55/32/573595532.db2.gz AKGAKBJDFXOJTP-MXWKQRLJSA-N 2 0 180.295 0.986 10 0 ACAERP CC[NH2+]CCNC[C@H]1CCC[N@H+](C)C1 258818601 573595605 /nfs/dbraw/zinc/59/56/05/573595605.db2.gz FDBUEUSXHJSETD-LLVKDONJSA-N 2 0 199.342 0.527 10 0 ACAERP [NH3+][C@H]1C[C@@H]1[C@H]1CCC[NH2+]C1 259137198 573595644 /nfs/dbraw/zinc/59/56/44/573595644.db2.gz GIMAEHMHVSYLMF-RNJXMRFFSA-N 2 0 140.230 0.333 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])C2(CO)CC2)C1 259524587 573595683 /nfs/dbraw/zinc/59/56/83/573595683.db2.gz SKSYLVLNVYHOGB-RKDXNWHRSA-N 2 0 184.283 0.038 10 0 ACAERP CC(F)(F)C[C@H]1C[NH2+]C[C@@H]1[NH3+] 259523546 573595707 /nfs/dbraw/zinc/59/57/07/573595707.db2.gz AOWLFZNLJGXKFK-WDSKDSINSA-N 2 0 164.199 0.578 10 0 ACAERP [NH3+]CCN[C@@H]1CCc2cccnc21 86734435 573596227 /nfs/dbraw/zinc/59/62/27/573596227.db2.gz BSLMEJDFXMJLKY-SECBINFHSA-N 2 0 177.251 0.617 10 0 ACAERP CC[C@H](C[NH3+])[C@@H](C)[NH+](C)C 259522650 573595834 /nfs/dbraw/zinc/59/58/34/573595834.db2.gz MUMALBZEYVYPRN-HTQZYQBOSA-N 2 0 144.262 0.921 10 0 ACAERP [NH3+]C1CCC([NH2+]Cc2nnc[nH]2)CC1 86728867 573595843 /nfs/dbraw/zinc/59/58/43/573595843.db2.gz CGJPDBJLLAODEL-UHFFFAOYSA-N 2 0 195.270 0.164 10 0 ACAERP C[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1 86729164 573595873 /nfs/dbraw/zinc/59/58/73/573595873.db2.gz QLYDKZKCIIHXGV-NXEZZACHSA-N 2 0 183.299 0.032 10 0 ACAERP CC[C@@H](C[NH3+])[C@H](C)[NH+](C)C 259522654 573595878 /nfs/dbraw/zinc/59/58/78/573595878.db2.gz MUMALBZEYVYPRN-YUMQZZPRSA-N 2 0 144.262 0.921 10 0 ACAERP C[C@@H]([NH3+])C[C@@H]1CCC[NH2+]1 78724548 573595940 /nfs/dbraw/zinc/59/59/40/573595940.db2.gz TTWYCDFAIOAKQY-RQJHMYQMSA-N 2 0 128.219 0.476 10 0 ACAERP C1C[C@H](N[C@H]2C[NH+]3CCC2CC3)C[NH2+]1 86724839 573595959 /nfs/dbraw/zinc/59/59/59/573595959.db2.gz UIXFRTHBJASOBJ-QWRGUYRKSA-N 2 0 195.310 0.032 10 0 ACAERP CC(F)(F)C[C@@H]1C[NH2+]C[C@H]1[NH3+] 259523542 573595960 /nfs/dbraw/zinc/59/59/60/573595960.db2.gz AOWLFZNLJGXKFK-PHDIDXHHSA-N 2 0 164.199 0.578 10 0 ACAERP C1C[NH2+]C[C@]2(C1)C[C@H]2[C@H]1CC[NH2+]C1 259523210 573596862 /nfs/dbraw/zinc/59/68/62/573596862.db2.gz AKGAKBJDFXOJTP-DCAQKATOSA-N 2 0 180.295 0.986 10 0 ACAERP C[C@H](NCc1cc[nH]n1)C1C[NH2+]C1 686243461 573596064 /nfs/dbraw/zinc/59/60/64/573596064.db2.gz OPOHSKWHNQQEIF-ZETCQYMHSA-N 2 0 180.255 0.107 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H]([NH3+])C2(CO)CC2)C1 259524583 573596175 /nfs/dbraw/zinc/59/61/75/573596175.db2.gz SKSYLVLNVYHOGB-DTWKUNHWSA-N 2 0 184.283 0.038 10 0 ACAERP C[C@H]([NH3+])C[C@H]1CCCC[NH2+]1 78724411 573596195 /nfs/dbraw/zinc/59/61/95/573596195.db2.gz BVFDJJDYLNAQTD-JGVFFNPUSA-N 2 0 142.246 0.866 10 0 ACAERP CN(C)CC[NH2+]C1CCC([NH3+])CC1 86724151 573596263 /nfs/dbraw/zinc/59/62/63/573596263.db2.gz HDTNYWUMVCJVNS-UHFFFAOYSA-N 2 0 185.315 0.408 10 0 ACAERP CC(F)(F)C[C@@H]1C[NH2+]C[C@@H]1[NH3+] 259523544 573596375 /nfs/dbraw/zinc/59/63/75/573596375.db2.gz AOWLFZNLJGXKFK-RITPCOANSA-N 2 0 164.199 0.578 10 0 ACAERP CC(C)[C@@H](CN)[NH2+][C@H]1CCN(C)C1 258816309 573596410 /nfs/dbraw/zinc/59/64/10/573596410.db2.gz LFIMYVSRPAPJMD-VHSXEESVSA-N 2 0 185.315 0.263 10 0 ACAERP C[C@@H](CO)[NH2+]C1CCC([NH3+])CC1 86726354 573596455 /nfs/dbraw/zinc/59/64/55/573596455.db2.gz LSVYHDFHFUGFHB-UEJVZZJDSA-N 2 0 172.272 0.227 10 0 ACAERP [NH3+][C@@H]1C[C@H]1[C@H]1CCC[NH2+]C1 259137184 573596497 /nfs/dbraw/zinc/59/64/97/573596497.db2.gz GIMAEHMHVSYLMF-BIIVOSGPSA-N 2 0 140.230 0.333 10 0 ACAERP CC[C@@H]([NH3+])[C@H](C)CN1CC[NH2+]CC1 259522795 573596531 /nfs/dbraw/zinc/59/65/31/573596531.db2.gz SFXGRLSRJUUVGD-NXEZZACHSA-N 2 0 185.315 0.265 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H](N)C2(C[NH3+])CC2)C1 259522937 573596558 /nfs/dbraw/zinc/59/65/58/573596558.db2.gz SHJDRBDKOVJESX-RKDXNWHRSA-N 2 0 183.299 0.004 10 0 ACAERP C[C@H]1[C@@H](C)[NH+](C)[C@H](C)[C@H](C)N1CC[NH3+] 238455750 573596560 /nfs/dbraw/zinc/59/65/60/573596560.db2.gz JKTDWZPWLUATFI-ZNSHCXBVSA-N 2 0 199.342 0.747 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H]([NH3+])C2(CO)CC2)C1 259524585 573596588 /nfs/dbraw/zinc/59/65/88/573596588.db2.gz SKSYLVLNVYHOGB-IUCAKERBSA-N 2 0 184.283 0.038 10 0 ACAERP C[NH2+]CCc1[nH+]cc2cccc(O)n12 258410666 573596616 /nfs/dbraw/zinc/59/66/16/573596616.db2.gz VNVFNEBEUYGPSK-UHFFFAOYSA-N 2 0 191.234 0.802 10 0 ACAERP C[C@H]1[C@@H](C)[N@H+](C)[C@H](C)[C@@H](C)N1CC[NH3+] 238455768 573596639 /nfs/dbraw/zinc/59/66/39/573596639.db2.gz JKTDWZPWLUATFI-DBIOUOCHSA-N 2 0 199.342 0.747 10 0 ACAERP CC[C@H](C[NH3+])[C@H](C)[NH+](C)C 259522651 573596771 /nfs/dbraw/zinc/59/67/71/573596771.db2.gz MUMALBZEYVYPRN-JGVFFNPUSA-N 2 0 144.262 0.921 10 0 ACAERP CO[C@@](C)(C[NH3+])[C@H]1CCC[NH2+]C1 257835615 573596807 /nfs/dbraw/zinc/59/68/07/573596807.db2.gz KWECFIWYLRVKOB-IUCAKERBSA-N 2 0 172.272 0.350 10 0 ACAERP [NH3+]CC[C@H](CF)C1CC[NH2+]CC1 259523528 573597785 /nfs/dbraw/zinc/59/77/85/573597785.db2.gz AOEIEXRKKABDCI-SECBINFHSA-N 2 0 174.263 0.921 10 0 ACAERP CC[C@H](C[NH3+])C(=O)[C@H]1CC[N@H+](C)C1 259137878 573597753 /nfs/dbraw/zinc/59/77/53/573597753.db2.gz NARRZFZVNQTITI-BDAKNGLRSA-N 2 0 184.283 0.492 10 0 ACAERP [NH3+]C1(CNc2cc[nH+]cc2)CC1 259138852 573597571 /nfs/dbraw/zinc/59/75/71/573597571.db2.gz RGJIMFASCGMVMB-UHFFFAOYSA-N 2 0 163.224 0.985 10 0 ACAERP C[N@@H+]1CC[C@@](CC[NH3+])(C(F)F)C1 259523549 573597631 /nfs/dbraw/zinc/59/76/31/573597631.db2.gz APAHUNJDIOJNNH-MRVPVSSYSA-N 2 0 178.226 0.922 10 0 ACAERP C[C@H]([NH3+])C[C@@H]([NH3+])c1ccncc1 259138807 573597663 /nfs/dbraw/zinc/59/76/63/573597663.db2.gz CSWWJJHRTWECQT-IONNQARKSA-N 2 0 165.240 0.819 10 0 ACAERP C[C@@H]([NH2+]CCN(C)C)c1cncn1C 308645494 573599040 /nfs/dbraw/zinc/59/90/40/573599040.db2.gz HGVZEEGINQSWMU-SECBINFHSA-N 2 0 196.298 0.632 10 0 ACAERP N[C@@H](C[NH3+])C[NH2+]CC1CCCCC1 259138075 573599060 /nfs/dbraw/zinc/59/90/60/573599060.db2.gz UOYATHBMLWACOE-JTQLQIEISA-N 2 0 185.315 0.442 10 0 ACAERP COC(C)(C)[C@H]([NH3+])Cc1nccn1C 86753008 573599076 /nfs/dbraw/zinc/59/90/76/573599076.db2.gz GHAZGVUNQFMVPZ-MRVPVSSYSA-N 2 0 197.282 0.715 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H](N)C2(C[NH3+])CC2)C1 259522934 573598774 /nfs/dbraw/zinc/59/87/74/573598774.db2.gz SHJDRBDKOVJESX-DTWKUNHWSA-N 2 0 183.299 0.004 10 0 ACAERP CC[C@@H](C[NH3+])C(=O)[C@H]1CC[N@H+](C)C1 259137881 573598998 /nfs/dbraw/zinc/59/89/98/573598998.db2.gz NARRZFZVNQTITI-IUCAKERBSA-N 2 0 184.283 0.492 10 0 ACAERP CC(C)[C@H](CN)[NH2+][C@@H]1CCN(C)C1 258816311 573599009 /nfs/dbraw/zinc/59/90/09/573599009.db2.gz LFIMYVSRPAPJMD-ZJUUUORDSA-N 2 0 185.315 0.263 10 0 ACAERP CC[C@@H]([NH3+])C[C@@H](C)N1CC[NH2+]CC1 259139201 573599881 /nfs/dbraw/zinc/59/98/81/573599881.db2.gz BATAVLBCPCAGLR-NXEZZACHSA-N 2 0 185.315 0.408 10 0 ACAERP CSC[C@@H]([NH3+])Cc1nccn1C 86752112 573599904 /nfs/dbraw/zinc/59/99/04/573599904.db2.gz BTCZFVMOMIXQHO-ZETCQYMHSA-N 2 0 185.296 0.653 10 0 ACAERP N[C@H](C[NH3+])C[NH2+]CC1CCCCC1 259138077 573600078 /nfs/dbraw/zinc/60/00/78/573600078.db2.gz UOYATHBMLWACOE-SNVBAGLBSA-N 2 0 185.315 0.442 10 0 ACAERP COCC[C@](C)([NH3+])Cc1nccn1C 86750675 573600116 /nfs/dbraw/zinc/60/01/16/573600116.db2.gz UPOQFWNGYJQGEM-JTQLQIEISA-N 2 0 197.282 0.717 10 0 ACAERP CO[C@](C)(C[NH3+])[C@H]1CCC[NH2+]C1 257835613 573600453 /nfs/dbraw/zinc/60/04/53/573600453.db2.gz KWECFIWYLRVKOB-DTWKUNHWSA-N 2 0 172.272 0.350 10 0 ACAERP C[NH2+][C@@H](C)C(C)(C)[NH3+] 259139376 573600226 /nfs/dbraw/zinc/60/02/26/573600226.db2.gz BCEIDMOIGXJROC-YFKPBYRVSA-N 2 0 116.208 0.332 10 0 ACAERP Cn1ccnc1C[C@]1([NH3+])CCCOC1 86750704 573600274 /nfs/dbraw/zinc/60/02/74/573600274.db2.gz RFPALUPRSGXSCW-SNVBAGLBSA-N 2 0 195.266 0.471 10 0 ACAERP CN1CC[C@H]([N@H+](C)CCCC[NH3+])C1 258815966 573600291 /nfs/dbraw/zinc/60/02/91/573600291.db2.gz DYLKJNQMWGHAHP-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP C[NH2+][C@H](C)C[C@@H](C)N1CC[NH2+]CC1 259137693 573600294 /nfs/dbraw/zinc/60/02/94/573600294.db2.gz HIWCOWKRBXCWBA-NXEZZACHSA-N 2 0 185.315 0.278 10 0 ACAERP Cc1noc([C@@H]2CC[NH2+]C2)c1C[NH3+] 257835748 573600380 /nfs/dbraw/zinc/60/03/80/573600380.db2.gz KYNPNZONXPINHL-SSDOTTSWSA-N 2 0 181.239 0.519 10 0 ACAERP C[C@H]1CO[C@@H](C2CC[NH2+]CC2)[NH2+]1 258502775 573600913 /nfs/dbraw/zinc/60/09/13/573600913.db2.gz MBLCGTNMEJSJQA-CBAPKCEASA-N 2 0 170.256 0.320 10 0 ACAERP CO[C@H](C)C[NH+]1CCC(C[NH3+])CC1 130488499 573600936 /nfs/dbraw/zinc/60/09/36/573600936.db2.gz UBJWSTZYEWCPEI-SECBINFHSA-N 2 0 186.299 0.692 10 0 ACAERP CCn1ccnc1C[C@@]1(O)CC[NH2+]C1 86749729 573600954 /nfs/dbraw/zinc/60/09/54/573600954.db2.gz GXADAXNAFVDLCO-JTQLQIEISA-N 2 0 195.266 0.170 10 0 ACAERP [NH3+]CCC1(C(F)F)CC[NH2+]CC1 259525492 573601005 /nfs/dbraw/zinc/60/10/05/573601005.db2.gz ARKWPQNNGABNBR-UHFFFAOYSA-N 2 0 178.226 0.970 10 0 ACAERP C[C@H]([NH2+]CCc1cnn(C)c1)[C@@H](C)[NH3+] 308646451 573601022 /nfs/dbraw/zinc/60/10/22/573601022.db2.gz HPRRALWMQSIHGL-BDAKNGLRSA-N 2 0 196.298 0.288 10 0 ACAERP Cn1ccnc1C[C@@H]([NH3+])[C@H]1CCOC1 86752615 573601053 /nfs/dbraw/zinc/60/10/53/573601053.db2.gz PIJSEFLTAHSQKW-DTWKUNHWSA-N 2 0 195.266 0.326 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@H]([NH3+])C(C)(C)O)C1 259139378 573601074 /nfs/dbraw/zinc/60/10/74/573601074.db2.gz BCFKGCXVQOBKCB-BDAKNGLRSA-N 2 0 186.299 0.426 10 0 ACAERP C[NH2+][C@H](C)C(C)(C)[NH3+] 259139375 573601097 /nfs/dbraw/zinc/60/10/97/573601097.db2.gz BCEIDMOIGXJROC-RXMQYKEDSA-N 2 0 116.208 0.332 10 0 ACAERP C[C@@H]1C[NH2+][C@H]2NCCC[C@@H]2C1 238456847 573601143 /nfs/dbraw/zinc/60/11/43/573601143.db2.gz PJEPNQQQAOCJSM-DJLDLDEBSA-N 2 0 154.257 0.942 10 0 ACAERP C[C@@]1(O)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 259527796 573601181 /nfs/dbraw/zinc/60/11/81/573601181.db2.gz AWGCXWYYADVGNN-VHSXEESVSA-N 2 0 184.283 0.053 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]CCc1cnn(C)c1 308646453 573601201 /nfs/dbraw/zinc/60/12/01/573601201.db2.gz HPRRALWMQSIHGL-IUCAKERBSA-N 2 0 196.298 0.288 10 0 ACAERP CN1CC[C@@H]([N@H+](C)CCCC[NH3+])C1 258815967 573601225 /nfs/dbraw/zinc/60/12/25/573601225.db2.gz DYLKJNQMWGHAHP-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP CC[NH2+]CCNC[C@@H]1CCC[N@H+](C)C1 258818606 573601267 /nfs/dbraw/zinc/60/12/67/573601267.db2.gz FDBUEUSXHJSETD-NSHDSACASA-N 2 0 199.342 0.527 10 0 ACAERP C[C@H](CCC[NH3+])[NH2+]CCN(C)C1CC1 308645985 573601296 /nfs/dbraw/zinc/60/12/96/573601296.db2.gz HLLZOFQEENIPBW-SNVBAGLBSA-N 2 0 199.342 0.798 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]([NH3+])C(C)(C)O)C1 259139380 573601330 /nfs/dbraw/zinc/60/13/30/573601330.db2.gz BCFKGCXVQOBKCB-DTWKUNHWSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@@H](NCc1cc[nH]n1)C1C[NH2+]C1 686243460 573601365 /nfs/dbraw/zinc/60/13/65/573601365.db2.gz OPOHSKWHNQQEIF-SSDOTTSWSA-N 2 0 180.255 0.107 10 0 ACAERP C[NH2+][C@@H](C)C[C@@H](C)N1CC[NH2+]CC1 259139744 573601451 /nfs/dbraw/zinc/60/14/51/573601451.db2.gz HIWCOWKRBXCWBA-VHSXEESVSA-N 2 0 185.315 0.278 10 0 ACAERP Cn1ccnc1Cc1ccc(N)nc1 86749003 573601480 /nfs/dbraw/zinc/60/14/80/573601480.db2.gz LZIAYGZBRSDDRP-UHFFFAOYSA-N 2 0 188.234 0.988 10 0 ACAERP C[C@H]1CO[C@H](C2CC[NH2+]CC2)[NH2+]1 258502779 573601500 /nfs/dbraw/zinc/60/15/00/573601500.db2.gz MBLCGTNMEJSJQA-IONNQARKSA-N 2 0 170.256 0.320 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@H]([NH3+])C(C)(C)O)C1 259139383 573601613 /nfs/dbraw/zinc/60/16/13/573601613.db2.gz BCFKGCXVQOBKCB-IUCAKERBSA-N 2 0 186.299 0.426 10 0 ACAERP Cn1ccnc1C[C@H]([NH3+])[C@H]1CCOC1 86752613 573601630 /nfs/dbraw/zinc/60/16/30/573601630.db2.gz PIJSEFLTAHSQKW-IUCAKERBSA-N 2 0 195.266 0.326 10 0 ACAERP C/C=C\C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 215477695 573603228 /nfs/dbraw/zinc/60/32/28/573603228.db2.gz FULSIUARQUCZPP-JAFKPYBISA-N 2 0 166.268 0.714 10 0 ACAERP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC[NH3+])C1 258817976 573602679 /nfs/dbraw/zinc/60/26/79/573602679.db2.gz TZFLNIXTYOVYDK-NSHDSACASA-N 3 0 199.342 0.657 10 0 ACAERP C[NH2+][C@H]([C@H](C)CC[NH3+])[C@@H]1CC[N@H+](C)C1 259125063 573602686 /nfs/dbraw/zinc/60/26/86/573602686.db2.gz BKAQFFXMBKEXSE-GMTAPVOTSA-N 3 0 199.342 0.511 10 0 ACAERP C[NH2+][C@@H]([C@H]1CC[N@H+](C)C1)[C@H](C)CC[NH3+] 259125070 573602931 /nfs/dbraw/zinc/60/29/31/573602931.db2.gz BKAQFFXMBKEXSE-OUAUKWLOSA-N 3 0 199.342 0.511 10 0 ACAERP Cn1ccnc1C[C@@]1(O)CCC[NH2+]C1 86749712 573602942 /nfs/dbraw/zinc/60/29/42/573602942.db2.gz QEHYASYEPLPQDN-JTQLQIEISA-N 2 0 195.266 0.077 10 0 ACAERP C[C@@H](C[NH3+])C[C@@H]([NH3+])C1CC[NH+](C)CC1 259124688 573603040 /nfs/dbraw/zinc/60/30/40/573603040.db2.gz CCLNEIGSVWYWCO-MWLCHTKSSA-N 3 0 199.342 0.640 10 0 ACAERP CC1CC([NH2+]C/C=C\C[NH3+])C1 393540827 573603082 /nfs/dbraw/zinc/60/30/82/573603082.db2.gz IMMHOCHZBKYYJM-IHWYPQMZSA-N 2 0 154.257 0.889 10 0 ACAERP Cn1ccc(CNC2CC[NH2+]CC2)n1 124723879 573603118 /nfs/dbraw/zinc/60/31/18/573603118.db2.gz UPNQUETZTCNFNG-UHFFFAOYSA-N 2 0 194.282 0.262 10 0 ACAERP [NH3+]CC[C@]1(O)CC[N@@H+]2CCCC[C@H]2C1 107434759 573603212 /nfs/dbraw/zinc/60/32/12/573603212.db2.gz WQVSZOIUOOJNLQ-QWRGUYRKSA-N 2 0 198.310 0.715 10 0 ACAERP C[C@@]1(O)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 259527785 573603275 /nfs/dbraw/zinc/60/32/75/573603275.db2.gz AWGCXWYYADVGNN-NXEZZACHSA-N 2 0 184.283 0.053 10 0 ACAERP CC(C)[C@H]([NH3+])C1(C[NH3+])CC1 259527625 573603310 /nfs/dbraw/zinc/60/33/10/573603310.db2.gz SPZWPCOTZKGYDY-ZETCQYMHSA-N 2 0 142.246 0.709 10 0 ACAERP [NH3+]CC[C@]1(O)CCC[N@@H+]2CCCC[C@H]21 107434769 573603373 /nfs/dbraw/zinc/60/33/73/573603373.db2.gz FLVUBLHUWSBQCA-WDEREUQCSA-N 2 0 198.310 0.715 10 0 ACAERP C[N@@H+]1CCC[C@H](CC[NH2+]CCC[NH3+])C1 258817974 573603375 /nfs/dbraw/zinc/60/33/75/573603375.db2.gz TZFLNIXTYOVYDK-LLVKDONJSA-N 3 0 199.342 0.657 10 0 ACAERP CCC[C@@H]([NH3+])[C@H](C)CN1CC[NH2+]CC1 259141241 573603385 /nfs/dbraw/zinc/60/33/85/573603385.db2.gz BEOCTWLZAVQLPF-GHMZBOCLSA-N 2 0 199.342 0.655 10 0 ACAERP Cn1ccnc1C[C@@H]([NH3+])[C@@H]1CCOC1 86752611 573603471 /nfs/dbraw/zinc/60/34/71/573603471.db2.gz PIJSEFLTAHSQKW-RKDXNWHRSA-N 2 0 195.266 0.326 10 0 ACAERP C[C@@H]1CO[C@@H](C2CC[NH2+]CC2)[NH2+]1 258502771 573603567 /nfs/dbraw/zinc/60/35/67/573603567.db2.gz MBLCGTNMEJSJQA-APPZFPTMSA-N 2 0 170.256 0.320 10 0 ACAERP C[NH2+][C@@H](CSC)Cc1nccn1C 86752128 573603582 /nfs/dbraw/zinc/60/35/82/573603582.db2.gz IJUSBHOQQJXHQX-MRVPVSSYSA-N 2 0 199.323 0.914 10 0 ACAERP CC(C)O[C@]1(C[NH3+])CCC[NH2+]C1 259525657 573603602 /nfs/dbraw/zinc/60/36/02/573603602.db2.gz ASUGGBLEMKKNLH-VIFPVBQESA-N 2 0 172.272 0.492 10 0 ACAERP C[C@H](C[NH+](C)C)OCC(C)(C)C[NH3+] 393541282 573603658 /nfs/dbraw/zinc/60/36/58/573603658.db2.gz ZRKLQWJPBLFRMP-SECBINFHSA-N 2 0 188.315 0.938 10 0 ACAERP [NH3+][C@@H]1CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 257836269 573603768 /nfs/dbraw/zinc/60/37/68/573603768.db2.gz LAXNZIGHFYUPRA-OPRDCNLKSA-N 2 0 184.283 0.492 10 0 ACAERP C[N@@H+]1CC[C@H](C[C@H]2C[NH2+]CCO2)C1 259140249 573604144 /nfs/dbraw/zinc/60/41/44/573604144.db2.gz NDCRDIWFHBWCKO-ZJUUUORDSA-N 2 0 184.283 0.317 10 0 ACAERP C[NH2+][C@H]([C@@H](C)CC[NH3+])[C@@H]1CC[N@H+](C)C1 259125067 573604170 /nfs/dbraw/zinc/60/41/70/573604170.db2.gz BKAQFFXMBKEXSE-HBNTYKKESA-N 3 0 199.342 0.511 10 0 ACAERP CC(C)[C@@H]([NH3+])C1(C[NH3+])CC1 259527621 573604211 /nfs/dbraw/zinc/60/42/11/573604211.db2.gz SPZWPCOTZKGYDY-SSDOTTSWSA-N 2 0 142.246 0.709 10 0 ACAERP COCC1(CC[NH3+])CC[NH2+]CC1 259525376 573604235 /nfs/dbraw/zinc/60/42/35/573604235.db2.gz AQCLCJAZFSAFLV-UHFFFAOYSA-N 2 0 172.272 0.351 10 0 ACAERP [NH3+][C@]12CC[C@H](C[NH2+]C1)C2 96299047 573604269 /nfs/dbraw/zinc/60/42/69/573604269.db2.gz SVVHTGGTQMORHI-BQBZGAKWSA-N 2 0 126.203 0.087 10 0 ACAERP CC[N@H+](CCNCC(C)(C)[NH3+])C1CC1 308647201 573604368 /nfs/dbraw/zinc/60/43/68/573604368.db2.gz HXSNSQXQOOBWTG-UHFFFAOYSA-N 2 0 199.342 0.798 10 0 ACAERP C[N@@H+]1CC[C@@H](C[C@H]2C[NH2+]CCO2)C1 259140244 573604409 /nfs/dbraw/zinc/60/44/09/573604409.db2.gz NDCRDIWFHBWCKO-UWVGGRQHSA-N 2 0 184.283 0.317 10 0 ACAERP C[NH2+][C@H]([C@@H](C)CC[NH3+])[C@H]1CC[N@H+](C)C1 259125059 573606223 /nfs/dbraw/zinc/60/62/23/573606223.db2.gz BKAQFFXMBKEXSE-GARJFASQSA-N 3 0 199.342 0.511 10 0 ACAERP C[N@@H+]1CCC[C@H](C(=O)C2([NH3+])CC2)C1 259123751 573604645 /nfs/dbraw/zinc/60/46/45/573604645.db2.gz LXCFGMDROWKIER-QMMMGPOBSA-N 2 0 182.267 0.389 10 0 ACAERP COCC[NH2+]CCNc1cc[nH+]cc1 215502930 573604676 /nfs/dbraw/zinc/60/46/76/573604676.db2.gz FMVPEESCBWBCFN-UHFFFAOYSA-N 2 0 195.266 0.730 10 0 ACAERP [NH3+]C[C@]1(O)CCC[N@@H+](C2CCC2)C1 259525526 573604941 /nfs/dbraw/zinc/60/49/41/573604941.db2.gz ARPJHSHGXUZJEY-SNVBAGLBSA-N 2 0 184.283 0.325 10 0 ACAERP Cc1c(CC(N)=[NH2+])cccc1C(N)=[NH2+] 238446365 573605018 /nfs/dbraw/zinc/60/50/18/573605018.db2.gz SZCMLPSGDXEIRW-UHFFFAOYSA-N 2 0 190.250 0.758 10 0 ACAERP C[C@H]([NH2+]CCc1cccnc1)[C@@H](C)[NH3+] 308648247 573605115 /nfs/dbraw/zinc/60/51/15/573605115.db2.gz IMXZPMVCCNLBDI-ZJUUUORDSA-N 2 0 193.294 0.949 10 0 ACAERP C[NH2+]CC[C@@H]1C=C[C@@H]([NH2+]C)C1 75541992 573605255 /nfs/dbraw/zinc/60/52/55/573605255.db2.gz SNONCICBDIAILD-DTWKUNHWSA-N 2 0 154.257 0.760 10 0 ACAERP C[C@H](C[NH3+])C[C@@H]([NH3+])C1CC[NH+](C)CC1 259124684 573605271 /nfs/dbraw/zinc/60/52/71/573605271.db2.gz CCLNEIGSVWYWCO-GXSJLCMTSA-N 3 0 199.342 0.640 10 0 ACAERP C[N@@H+]1CC[C@H](C[C@@H]2C[NH2+]CCO2)C1 259140241 573605302 /nfs/dbraw/zinc/60/53/02/573605302.db2.gz NDCRDIWFHBWCKO-NXEZZACHSA-N 2 0 184.283 0.317 10 0 ACAERP [NH3+]CC1(C[NH2+]CCc2cc[nH]c2)CC1 258818435 573605403 /nfs/dbraw/zinc/60/54/03/573605403.db2.gz CDJZSIDFTYVESB-UHFFFAOYSA-N 2 0 193.294 0.886 10 0 ACAERP [NH3+][C@@H]1CC[C@@H](C[NH2+][C@H]2CCOC2)C1 257836263 573605404 /nfs/dbraw/zinc/60/54/04/573605404.db2.gz LAXNZIGHFYUPRA-BBBLOLIVSA-N 2 0 184.283 0.492 10 0 ACAERP C[N@@H+]1CC[C@@H](C[C@@H]2C[NH2+]CCO2)C1 259140246 573606306 /nfs/dbraw/zinc/60/63/06/573606306.db2.gz NDCRDIWFHBWCKO-VHSXEESVSA-N 2 0 184.283 0.317 10 0 ACAERP CCC[C@H]([NH3+])CCCN1CC[NH2+]CC1 259525916 573605567 /nfs/dbraw/zinc/60/55/67/573605567.db2.gz SLKFIUYVBMVBEO-NSHDSACASA-N 2 0 199.342 0.799 10 0 ACAERP C[N@@H+]1CCC[C@@H](C(=O)C2([NH3+])CC2)C1 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86932641 573701653 /nfs/dbraw/zinc/70/16/53/573701653.db2.gz FIRMAXPRKXNAJQ-RKDXNWHRSA-N 2 0 196.298 0.091 10 0 ACAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C1C[NH2+]C1 86932552 573701733 /nfs/dbraw/zinc/70/17/33/573701733.db2.gz DTLDMYXBIPGTHR-NXEZZACHSA-N 2 0 195.310 0.127 10 0 ACAERP C[NH2+][C@H](C)C1=CCC[NH2+]C1 258088757 573701735 /nfs/dbraw/zinc/70/17/35/573701735.db2.gz NHHIYCBZASUBNN-SSDOTTSWSA-N 2 0 140.230 0.514 10 0 ACAERP C[NH2+][C@H]1CCN(C(C)(C)C[NH+](C)C)C1 308684182 573701804 /nfs/dbraw/zinc/70/18/04/573701804.db2.gz RELRFFIDFPRNDX-JTQLQIEISA-N 2 0 199.342 0.620 10 0 ACAERP CC(C)[NH2+]C[C@@H](N)[C@@H]1CCC[N@H+](C)C1 259168550 573701815 /nfs/dbraw/zinc/70/18/15/573701815.db2.gz DVIZTONFVCTGAC-GHMZBOCLSA-N 2 0 199.342 0.654 10 0 ACAERP C[C@@]1(C[NH2+]C/C=C/C[NH3+])CCCO1 393552960 573701849 /nfs/dbraw/zinc/70/18/49/573701849.db2.gz IYZTXOOIOIEQSQ-PBKGFPTLSA-N 2 0 184.283 0.660 10 0 ACAERP C[C@@H](C[NH3+])N1CC[N@@H+]2CCC[C@@H]2C1 86931909 573701854 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/nfs/dbraw/zinc/70/20/92/573702092.db2.gz DJZAFZQUZHCYHS-GHMZBOCLSA-N 2 0 197.326 0.374 10 0 ACAERP CNC(=[NH2+])N1C[C@H]2CCC[N@@H+]2C[C@H]1C 86932822 573702142 /nfs/dbraw/zinc/70/21/42/573702142.db2.gz PFDXPMSIZLRTIP-RKDXNWHRSA-N 2 0 196.298 0.309 10 0 ACAERP C[C@@H]([NH3+])C[N@H+](CCO)C1CCCC1 308685638 573702167 /nfs/dbraw/zinc/70/21/67/573702167.db2.gz ZIZOOWVFQCINMY-SECBINFHSA-N 2 0 186.299 0.571 10 0 ACAERP CCN1CC[NH+]=C1N[C@@H]1CCC[NH2+]C1 257847920 573702242 /nfs/dbraw/zinc/70/22/42/573702242.db2.gz DGFGHEKFGKBNMM-SECBINFHSA-N 2 0 196.298 0.020 10 0 ACAERP C[C@@H]([NH3+])CC1=CCC[NH2+]C1 258088829 573703525 /nfs/dbraw/zinc/70/35/25/573703525.db2.gz NHSYAWRLQZSOPY-SSDOTTSWSA-N 2 0 140.230 0.643 10 0 ACAERP [NH3+][C@H](C1CCOCC1)[C@@H]1CCC[NH2+]C1 259171220 573703120 /nfs/dbraw/zinc/70/31/20/573703120.db2.gz DWLIAOVEIFGPEW-GHMZBOCLSA-N 2 0 198.310 0.740 10 0 ACAERP C[C@@H]1C[C@H]([NH2+]CCC[NH3+])CS1 86935252 573703286 /nfs/dbraw/zinc/70/32/86/573703286.db2.gz 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C[C@H](C[NH3+])[C@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259171202 573704887 /nfs/dbraw/zinc/70/48/87/573704887.db2.gz DWFDCHVECOKJQR-BBBLOLIVSA-N 3 0 185.315 0.250 10 0 ACAERP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H](C)[NH3+] 308690092 573704976 /nfs/dbraw/zinc/70/49/76/573704976.db2.gz RDMUMOLNQDIYSH-ZJUUUORDSA-N 2 0 199.342 0.654 10 0 ACAERP CN1CC[NH+]=C1CCC[NH3+] 108263835 573704994 /nfs/dbraw/zinc/70/49/94/573704994.db2.gz WFXYFSQWHFCJSO-UHFFFAOYSA-N 2 0 141.218 0.069 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]CC1CC[NH+](C)CC1 308690087 573705544 /nfs/dbraw/zinc/70/55/44/573705544.db2.gz RDMUMOLNQDIYSH-UWVGGRQHSA-N 2 0 199.342 0.654 10 0 ACAERP C[C@@H]1C[C@@]([NH3+])(C[NH3+])CS1 86936646 573705566 /nfs/dbraw/zinc/70/55/66/573705566.db2.gz UPBVALPRRZOVQI-PHDIDXHHSA-N 2 0 146.259 0.168 10 0 ACAERP CCOCC[N@@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1 308690612 573705582 /nfs/dbraw/zinc/70/55/82/573705582.db2.gz RHJHRWXCJVZMLP-GHMZBOCLSA-N 2 0 198.310 0.564 10 0 ACAERP COc1ccc(F)cc1[C@@](C)(N)C[NH3+] 259176773 573705614 /nfs/dbraw/zinc/70/56/14/573705614.db2.gz WYMWLFNUMRKECI-JTQLQIEISA-N 2 0 198.241 0.967 10 0 ACAERP [NH3+][C@@H](C1CCOCC1)[C@@H]1CCC[NH2+]C1 259171222 573705638 /nfs/dbraw/zinc/70/56/38/573705638.db2.gz DWLIAOVEIFGPEW-MNOVXSKESA-N 2 0 198.310 0.740 10 0 ACAERP C[C@]1(C[NH3+])CC[NH2+]C[C@@H]1F 238477696 573707985 /nfs/dbraw/zinc/70/79/85/573707985.db2.gz RQNZBDRXQKJZBG-NKWVEPMBSA-N 2 0 146.209 0.283 10 0 ACAERP C[C@]1(C[NH3+])CC[NH2+]C[C@H]1F 238477712 573707379 /nfs/dbraw/zinc/70/73/79/573707379.db2.gz RQNZBDRXQKJZBG-RNFRBKRXSA-N 2 0 146.209 0.283 10 0 ACAERP CCOCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 308690613 573707388 /nfs/dbraw/zinc/70/73/88/573707388.db2.gz RHJHRWXCJVZMLP-MNOVXSKESA-N 2 0 198.310 0.564 10 0 ACAERP C[C@H]1C[C@@H]([NH2+]CCC[NH3+])CS1 86935255 573707459 /nfs/dbraw/zinc/70/74/59/573707459.db2.gz UHPHUWTWBUSOAV-JGVFFNPUSA-N 2 0 174.313 0.819 10 0 ACAERP C[C@H](C[NH3+])[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259171207 573707479 /nfs/dbraw/zinc/70/74/79/573707479.db2.gz DWFDCHVECOKJQR-UTLUCORTSA-N 3 0 185.315 0.250 10 0 ACAERP C[C@@H]1C[C@@H]([NH2+]CCC[NH3+])CS1 86935254 573707632 /nfs/dbraw/zinc/70/76/32/573707632.db2.gz UHPHUWTWBUSOAV-HTQZYQBOSA-N 2 0 174.313 0.819 10 0 ACAERP Cc1noc(C2CC[NH2+]CC2)c1C[NH3+] 257850482 573708035 /nfs/dbraw/zinc/70/80/35/573708035.db2.gz OSSRSXPKTWEGTO-UHFFFAOYSA-N 2 0 195.266 0.909 10 0 ACAERP C[N@@H+]1CC[C@@H](CNCC2(C[NH3+])CC2)C1 258888486 573707824 /nfs/dbraw/zinc/70/78/24/573707824.db2.gz JSTHHDGIQHGRJL-JTQLQIEISA-N 2 0 197.326 0.267 10 0 ACAERP CC[C@H](CCO)C[NH2+][C@H](C)[C@@H](C)[NH3+] 393553924 573707905 /nfs/dbraw/zinc/70/79/05/573707905.db2.gz LMLHWZDXXOGDLF-OPRDCNLKSA-N 2 0 188.315 0.720 10 0 ACAERP [NH3+][C@H]1CCCC[C@@H]1C1=[NH+]CCN1 108265158 573707928 /nfs/dbraw/zinc/70/79/28/573707928.db2.gz OLIHMXOSTWRKNR-YUMQZZPRSA-N 2 0 167.256 0.506 10 0 ACAERP C[C@H](C1CC1)[N@H+](C)C[C@@H](O)CC[NH3+] 393554830 573708083 /nfs/dbraw/zinc/70/80/83/573708083.db2.gz NVRRHOGMHNNRGZ-SCZZXKLOSA-N 2 0 186.299 0.426 10 0 ACAERP [NH3+][C@H]1CCC[C@H]1C1=[NH+]CCN1 108264199 573708112 /nfs/dbraw/zinc/70/81/12/573708112.db2.gz MSCXPZJTQOJKKS-RQJHMYQMSA-N 2 0 153.229 0.116 10 0 ACAERP C[NH2+]CCC[NH2+]CCCn1ccnc1 308687988 573708244 /nfs/dbraw/zinc/70/82/44/573708244.db2.gz QMCVPTLUKPGNPJ-UHFFFAOYSA-N 2 0 196.298 0.472 10 0 ACAERP C[C@H](C1CC1)[N@H+](C)C[C@H](O)CC[NH3+] 393554827 573708261 /nfs/dbraw/zinc/70/82/61/573708261.db2.gz NVRRHOGMHNNRGZ-PSASIEDQSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@H](C[NH3+])C[NH2+]Cc1ccoc1 130790917 573708295 /nfs/dbraw/zinc/70/82/95/573708295.db2.gz LRTJQIPSLNSERX-MRVPVSSYSA-N 2 0 168.240 0.964 10 0 ACAERP C1C[NH2+][C@@H](CC2=[NH+]CCN2)C1 108264181 573708356 /nfs/dbraw/zinc/70/83/56/573708356.db2.gz NOIUZNMFPDGKIN-SSDOTTSWSA-N 2 0 153.229 0.130 10 0 ACAERP C[C@H]([NH3+])c1cnn(C2CC[NH2+]CC2)c1 257850537 573708357 /nfs/dbraw/zinc/70/83/57/573708357.db2.gz OUUJRCIFDMQUPH-QMMMGPOBSA-N 2 0 194.282 0.827 10 0 ACAERP C[C@@H]([NH3+])[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 308690084 573708435 /nfs/dbraw/zinc/70/84/35/573708435.db2.gz RDMUMOLNQDIYSH-NXEZZACHSA-N 2 0 199.342 0.654 10 0 ACAERP [NH3+][C@H]1CCCC[C@H]1C1=[NH+]CCN1 108265151 573708519 /nfs/dbraw/zinc/70/85/19/573708519.db2.gz OLIHMXOSTWRKNR-SFYZADRCSA-N 2 0 167.256 0.506 10 0 ACAERP [NH3+]CC1(C[NH2+]CC2CCOCC2)CC1 258888482 573708595 /nfs/dbraw/zinc/70/85/95/573708595.db2.gz JSRKKPMDRCCAGP-UHFFFAOYSA-N 2 0 198.310 0.742 10 0 ACAERP C1C[NH2+]C[C@@H](CC2=[NH+]CCN2)C1 108265139 573708604 /nfs/dbraw/zinc/70/86/04/573708604.db2.gz UZTOPLLQSXHTMB-MRVPVSSYSA-N 2 0 167.256 0.378 10 0 ACAERP [NH3+][C@@H]1CCCC[C@@H]1C1=[NH+]CCN1 108265160 573708610 /nfs/dbraw/zinc/70/86/10/573708610.db2.gz OLIHMXOSTWRKNR-JGVFFNPUSA-N 2 0 167.256 0.506 10 0 ACAERP C1C[NH2+]C[C@H](CC2=[NH+]CCN2)C1 108265143 573708639 /nfs/dbraw/zinc/70/86/39/573708639.db2.gz UZTOPLLQSXHTMB-QMMMGPOBSA-N 2 0 167.256 0.378 10 0 ACAERP [NH3+][C@@H]1CCC[C@H]1C1=[NH+]CCN1 108264193 573708721 /nfs/dbraw/zinc/70/87/21/573708721.db2.gz MSCXPZJTQOJKKS-RNFRBKRXSA-N 2 0 153.229 0.116 10 0 ACAERP C[NH2+]C(C)(C)CNC1CC[NH+](C)CC1 258888935 573708735 /nfs/dbraw/zinc/70/87/35/573708735.db2.gz MUAOOEWTRQQIMZ-UHFFFAOYSA-N 2 0 199.342 0.668 10 0 ACAERP C[C@H]([NH2+]CCC1CC1)C1C[NH2+]C1 686249732 573708872 /nfs/dbraw/zinc/70/88/72/573708872.db2.gz LNAXJUQFLZVNGC-QMMMGPOBSA-N 2 0 168.284 0.984 10 0 ACAERP C[C@@H]([NH3+])c1cnn(C2CC[NH2+]CC2)c1 257850535 573708933 /nfs/dbraw/zinc/70/89/33/573708933.db2.gz OUUJRCIFDMQUPH-MRVPVSSYSA-N 2 0 194.282 0.827 10 0 ACAERP CN1CC[NH+]=C1C(C)(C)C[NH3+] 108264450 573708960 /nfs/dbraw/zinc/70/89/60/573708960.db2.gz VJFHSNFROXKOAG-UHFFFAOYSA-N 2 0 155.245 0.315 10 0 ACAERP [NH3+]C1CCC(C2=[NH+]CCN2)CC1 108265164 573709010 /nfs/dbraw/zinc/70/90/10/573709010.db2.gz VOZLUSBZPCCJLX-UHFFFAOYSA-N 2 0 167.256 0.506 10 0 ACAERP CCC[NH2+]C1C[C@@H](N)C[C@H]([NH3+])C1 223297936 573709046 /nfs/dbraw/zinc/70/90/46/573709046.db2.gz FNEPETJQUKHVFM-YUMQZZPRSA-N 2 0 171.288 0.193 10 0 ACAERP CN1CC[NH+]=C1[C@@H]1CCC[C@H]1[NH3+] 108265100 573709098 /nfs/dbraw/zinc/70/90/98/573709098.db2.gz QIDKVNZDGSFIFK-HTQZYQBOSA-N 2 0 167.256 0.458 10 0 ACAERP CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H](C)[NH3+] 393553921 573709291 /nfs/dbraw/zinc/70/92/91/573709291.db2.gz LMLHWZDXXOGDLF-KXUCPTDWSA-N 2 0 188.315 0.720 10 0 ACAERP CN1CC[NH+]=C1C[C@@H]1CCC[NH2+]1 108265087 573709335 /nfs/dbraw/zinc/70/93/35/573709335.db2.gz CJFQMFYCJORESU-QMMMGPOBSA-N 2 0 167.256 0.472 10 0 ACAERP C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)CC[NH3+] 393554836 573709406 /nfs/dbraw/zinc/70/94/06/573709406.db2.gz NVRRHOGMHNNRGZ-WPRPVWTQSA-N 2 0 186.299 0.426 10 0 ACAERP CN1CC[NH+]=C1C[C@@H]1CC[NH2+]C1 108265091 573709463 /nfs/dbraw/zinc/70/94/63/573709463.db2.gz FEWPSGRDDPDHML-QMMMGPOBSA-N 2 0 167.256 0.330 10 0 ACAERP CCOCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 308690614 573709549 /nfs/dbraw/zinc/70/95/49/573709549.db2.gz RHJHRWXCJVZMLP-QWRGUYRKSA-N 2 0 198.310 0.564 10 0 ACAERP C1C[NH+]=C(CC[C@@H]2CC[NH2+]C2)N1 108265128 573709635 /nfs/dbraw/zinc/70/96/35/573709635.db2.gz NGLASOPWEJRQGE-MRVPVSSYSA-N 2 0 167.256 0.378 10 0 ACAERP C[C@H](O)[C@H]([NH3+])c1ccc(C[NH3+])c(F)c1 238490909 573709664 /nfs/dbraw/zinc/70/96/64/573709664.db2.gz DWVSCYWGQNJFKI-WKEGUHRASA-N 2 0 198.241 0.665 10 0 ACAERP C1C[NH2+][C@@H](CCC2=[NH+]CCN2)C1 108265120 573709915 /nfs/dbraw/zinc/70/99/15/573709915.db2.gz FAECCTZYMLRXFA-MRVPVSSYSA-N 2 0 167.256 0.520 10 0 ACAERP O[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 236534486 573709984 /nfs/dbraw/zinc/70/99/84/573709984.db2.gz IKKSMCRPMVGKSZ-OUAUKWLOSA-N 2 0 198.310 0.632 10 0 ACAERP CC[C@H](CCO)C[NH2+][C@@H](C)[C@H](C)[NH3+] 393553922 573709993 /nfs/dbraw/zinc/70/99/93/573709993.db2.gz LMLHWZDXXOGDLF-LPEHRKFASA-N 2 0 188.315 0.720 10 0 ACAERP CN1CC[NH+]=C1[C@H]1CCC[C@H]1[NH3+] 108265103 573709996 /nfs/dbraw/zinc/70/99/96/573709996.db2.gz QIDKVNZDGSFIFK-JGVFFNPUSA-N 2 0 167.256 0.458 10 0 ACAERP CN1CC[NH+]=C1C[C@H]1CC[NH2+]C1 108265093 573710101 /nfs/dbraw/zinc/71/01/01/573710101.db2.gz FEWPSGRDDPDHML-MRVPVSSYSA-N 2 0 167.256 0.330 10 0 ACAERP CN1CC[NH+]=C1[C@H]1CCC[C@@H]1[NH3+] 108265098 573710146 /nfs/dbraw/zinc/71/01/46/573710146.db2.gz QIDKVNZDGSFIFK-YUMQZZPRSA-N 2 0 167.256 0.458 10 0 ACAERP C[C@@H]1SCCC[C@@]1([NH3+])C[NH3+] 86946125 573710206 /nfs/dbraw/zinc/71/02/06/573710206.db2.gz ISZIXGOQVNYXNR-NKWVEPMBSA-N 2 0 160.286 0.558 10 0 ACAERP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)CO1 686254941 573710291 /nfs/dbraw/zinc/71/02/91/573710291.db2.gz TVICDLKOVGPXOE-FBIMIBRVSA-N 2 0 198.310 0.751 10 0 ACAERP C1CCC23C[NH2+]CC2(C1)C[NH2+]C3 238012641 573710314 /nfs/dbraw/zinc/71/03/14/573710314.db2.gz UROLBHUIXNFDAP-UHFFFAOYSA-N 2 0 166.268 0.740 10 0 ACAERP C1CC[C@@H](CC2=[NH+]CCN2)[NH2+]C1 108265146 573710360 /nfs/dbraw/zinc/71/03/60/573710360.db2.gz ATDUKZWDBGVBAP-QMMMGPOBSA-N 2 0 167.256 0.520 10 0 ACAERP [NH3+][C@H]1CCC[C@@H]1C1=[NH+]CCN1 108264196 573710383 /nfs/dbraw/zinc/71/03/83/573710383.db2.gz MSCXPZJTQOJKKS-BQBZGAKWSA-N 2 0 153.229 0.116 10 0 ACAERP CC[C@H](CCO)C[NH2+][C@H](C)[C@H](C)[NH3+] 393553919 573710524 /nfs/dbraw/zinc/71/05/24/573710524.db2.gz LMLHWZDXXOGDLF-IVZWLZJFSA-N 2 0 188.315 0.720 10 0 ACAERP C1CC[C@H](CC2=[NH+]CCN2)[NH2+]C1 108265149 573710553 /nfs/dbraw/zinc/71/05/53/573710553.db2.gz ATDUKZWDBGVBAP-MRVPVSSYSA-N 2 0 167.256 0.520 10 0 ACAERP CC1(C)C[NH2+]CCN([C@@H]2CCC[NH2+]2)C1 258096505 573712250 /nfs/dbraw/zinc/71/22/50/573712250.db2.gz KNADGFGRIPYXCA-SNVBAGLBSA-N 2 0 197.326 0.627 10 0 ACAERP CN1CC[NH+]=C1C[C@H]1CCC[NH2+]1 108265090 573712251 /nfs/dbraw/zinc/71/22/51/573712251.db2.gz CJFQMFYCJORESU-MRVPVSSYSA-N 2 0 167.256 0.472 10 0 ACAERP C[C@H]1SCCC[C@@]1([NH3+])C[NH3+] 86946122 573712397 /nfs/dbraw/zinc/71/23/97/573712397.db2.gz ISZIXGOQVNYXNR-RNFRBKRXSA-N 2 0 160.286 0.558 10 0 ACAERP C[N@@H+]1CCC[C@@]2(CC1)COC(N)=N2 83964308 573712557 /nfs/dbraw/zinc/71/25/57/573712557.db2.gz AJETVFQEAWWEIZ-SECBINFHSA-N 2 0 183.255 0.186 10 0 ACAERP C[C@H]1SCCC[C@]1([NH3+])C[NH3+] 86946127 573712660 /nfs/dbraw/zinc/71/26/60/573712660.db2.gz ISZIXGOQVNYXNR-RQJHMYQMSA-N 2 0 160.286 0.558 10 0 ACAERP CC(C)[NH2+]C[C@H](O)CC[NH+]1CCC1 393554635 573712773 /nfs/dbraw/zinc/71/27/73/573712773.db2.gz ZXWQTMRKZJRFFA-SNVBAGLBSA-N 2 0 186.299 0.441 10 0 ACAERP [NH3+]C[C@@H](C[NH2+]C1CC1)C1CCOCC1 258096426 573712879 /nfs/dbraw/zinc/71/28/79/573712879.db2.gz KANQHVGTSCWPCT-JTQLQIEISA-N 2 0 198.310 0.740 10 0 ACAERP C[C@H]([NH3+])CC[NH+]1CCC1 108280281 573712894 /nfs/dbraw/zinc/71/28/94/573712894.db2.gz OHZSTJMOROQXKT-ZETCQYMHSA-N 2 0 128.219 0.429 10 0 ACAERP C1C[NH+]=C(NCCNC2=[NH+]CCC2)C1 238020800 573713195 /nfs/dbraw/zinc/71/31/95/573713195.db2.gz JWZZPNZYBYQDFQ-UHFFFAOYSA-N 2 0 194.282 0.550 10 0 ACAERP CN1CCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 257855003 573717401 /nfs/dbraw/zinc/71/74/01/573717401.db2.gz PSSFAIKACVLEEC-LLVKDONJSA-N 2 0 197.326 0.627 10 0 ACAERP C[N@@H+]1CCC[C@]2(CC1)COC(N)=N2 83964310 573715737 /nfs/dbraw/zinc/71/57/37/573715737.db2.gz AJETVFQEAWWEIZ-VIFPVBQESA-N 2 0 183.255 0.186 10 0 ACAERP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[C@@H](C[NH3+])C1(F)F 715173266 573715928 /nfs/dbraw/zinc/71/59/28/573715928.db2.gz INDWBVLYFPLECB-XUTVFYLZSA-N 2 0 190.237 0.824 10 0 ACAERP [NH3+]CCOCC[NH2+]Cc1ccoc1 130802401 573715970 /nfs/dbraw/zinc/71/59/70/573715970.db2.gz WAABKEQREOOQMV-UHFFFAOYSA-N 2 0 184.239 0.345 10 0 ACAERP C[C@@]1(C[NH3+])CC[NH2+]C[C@@H]1F 238492319 573716166 /nfs/dbraw/zinc/71/61/66/573716166.db2.gz RQNZBDRXQKJZBG-BQBZGAKWSA-N 2 0 146.209 0.283 10 0 ACAERP C[NH2+]Cc1ccnn1[C@@H]1CC[N@H+](C)C1 257855043 573716293 /nfs/dbraw/zinc/71/62/93/573716293.db2.gz PTUASMUCSSCSKQ-SNVBAGLBSA-N 2 0 194.282 0.479 10 0 ACAERP C[C@H](C[NH3+])CC(=O)C1CC[NH+](C)CC1 259172896 573716300 /nfs/dbraw/zinc/71/63/00/573716300.db2.gz MNXLWDJMIZFCIT-VIFPVBQESA-N 2 0 198.310 0.882 10 0 ACAERP C[NH2+]Cc1ccnn1[C@H]1CC[N@H+](C)C1 257855041 573716381 /nfs/dbraw/zinc/71/63/81/573716381.db2.gz PTUASMUCSSCSKQ-JTQLQIEISA-N 2 0 194.282 0.479 10 0 ACAERP C[C@@H](C[NH3+])CC(=O)C1CC[NH+](C)CC1 259172892 573716491 /nfs/dbraw/zinc/71/64/91/573716491.db2.gz MNXLWDJMIZFCIT-SECBINFHSA-N 2 0 198.310 0.882 10 0 ACAERP OC[C@]12CC[NH2+][C@H]1[C@@H]1CCC[N@@H+]1CC2 257855118 573716593 /nfs/dbraw/zinc/71/65/93/573716593.db2.gz PVUDHMNWKCUXQX-GARJFASQSA-N 2 0 196.294 0.195 10 0 ACAERP CN1CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 257855004 573717124 /nfs/dbraw/zinc/71/71/24/573717124.db2.gz PSSFAIKACVLEEC-NSHDSACASA-N 2 0 197.326 0.627 10 0 ACAERP OC[C@]12CC[NH2+][C@@H]1[C@H]1CCC[N@@H+]1CC2 257855120 573717196 /nfs/dbraw/zinc/71/71/96/573717196.db2.gz PVUDHMNWKCUXQX-GMTAPVOTSA-N 2 0 196.294 0.195 10 0 ACAERP OC[C@]12CC[NH2+][C@@H]1[C@@H]1CCC[N@@H+]1CC2 257855122 573717242 /nfs/dbraw/zinc/71/72/42/573717242.db2.gz PVUDHMNWKCUXQX-HBNTYKKESA-N 2 0 196.294 0.195 10 0 ACAERP [NH3+]C1CC(C[NH2+]CCc2cc[nH]c2)C1 258891495 573717354 /nfs/dbraw/zinc/71/73/54/573717354.db2.gz CQQXECYCMODGRB-UHFFFAOYSA-N 2 0 193.294 0.884 10 0 ACAERP C[NH2+][C@H]1CC[C@H]([NH+]2CCC2)C1 108282887 573717752 /nfs/dbraw/zinc/71/77/52/573717752.db2.gz OOFROTIRGVODMJ-IUCAKERBSA-N 2 0 154.257 0.833 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CCC2)C1 108281037 573717620 /nfs/dbraw/zinc/71/76/20/573717620.db2.gz RXBSFSVINGNCTM-HTQZYQBOSA-N 2 0 140.230 0.572 10 0 ACAERP C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 258097738 573717629 /nfs/dbraw/zinc/71/76/29/573717629.db2.gz NTHXKPUSLQVHMC-MRVPVSSYSA-N 2 0 154.257 0.856 10 0 ACAERP C[NH2+][C@@H]1CC[C@H]([NH+]2CCC2)C1 108282885 573717664 /nfs/dbraw/zinc/71/76/64/573717664.db2.gz OOFROTIRGVODMJ-BDAKNGLRSA-N 2 0 154.257 0.833 10 0 ACAERP C[NH2+][C@H]1CC[C@@H]([NH+]2CCC2)C1 108282893 573717817 /nfs/dbraw/zinc/71/78/17/573717817.db2.gz OOFROTIRGVODMJ-DTWKUNHWSA-N 2 0 154.257 0.833 10 0 ACAERP C[NH2+]C[C@@H](C)C[NH+]1CCC1 108281332 573717846 /nfs/dbraw/zinc/71/78/46/573717846.db2.gz MVAHSRARKMJFLS-MRVPVSSYSA-N 2 0 142.246 0.548 10 0 ACAERP [NH3+]C[C@@H]1CC[C@H]([NH+]2CCC2)C1 108282903 573718155 /nfs/dbraw/zinc/71/81/55/573718155.db2.gz ZVDSTFXACHTABW-BDAKNGLRSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+][C@@H]1CC[C@H]([NH+]2CCC2)C1 108281040 573718261 /nfs/dbraw/zinc/71/82/61/573718261.db2.gz RXBSFSVINGNCTM-SFYZADRCSA-N 2 0 140.230 0.572 10 0 ACAERP C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 258097739 573718305 /nfs/dbraw/zinc/71/83/05/573718305.db2.gz NTHXKPUSLQVHMC-QMMMGPOBSA-N 2 0 154.257 0.856 10 0 ACAERP C1C[NH+](C[C@@H]2CC[NH2+]C2)C1 108281051 573718345 /nfs/dbraw/zinc/71/83/45/573718345.db2.gz GMMPPOPTJBDCBR-MRVPVSSYSA-N 2 0 140.230 0.302 10 0 ACAERP [NH3+]C[C@H]1CC[C@H]([NH+]2CCC2)C1 108282898 573718386 /nfs/dbraw/zinc/71/83/86/573718386.db2.gz ZVDSTFXACHTABW-IUCAKERBSA-N 2 0 154.257 0.820 10 0 ACAERP CC[N@@H+]1CCC[C@]2(CC1)C[NH+]=C(N)O2 83966447 573718454 /nfs/dbraw/zinc/71/84/54/573718454.db2.gz KPGAEPXCLHBICI-JTQLQIEISA-N 2 0 197.282 0.576 10 0 ACAERP C[NH+]1CCC(CC[NH2+]CO)CC1 258891434 573718510 /nfs/dbraw/zinc/71/85/10/573718510.db2.gz JNEDBOFUCFZVRT-UHFFFAOYSA-N 2 0 172.272 0.258 10 0 ACAERP C[N@@H+]1CC[C@H](c2coc(CC[NH3+])n2)C1 258097329 573718635 /nfs/dbraw/zinc/71/86/35/573718635.db2.gz NRLKASNQDHFLSJ-QMMMGPOBSA-N 2 0 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/nfs/dbraw/zinc/74/09/07/573740907.db2.gz BENDVQDBJWARRS-UHFFFAOYSA-N 2 0 195.310 0.154 10 0 ACAERP C[NH+]1CCC(C2(C[NH3+])CC(O)C2)CC1 258115821 573740598 /nfs/dbraw/zinc/74/05/98/573740598.db2.gz PBKXXWMLVQAMSC-UHFFFAOYSA-N 2 0 198.310 0.428 10 0 ACAERP N[C@@H](Cc1c[nH]cn1)C(F)F 143275258 573740656 /nfs/dbraw/zinc/74/06/56/573740656.db2.gz KEEZVRAORFFYPZ-YFKPBYRVSA-N 2 0 161.155 0.545 10 0 ACAERP CC(C)[N@@H+]1CC[C@H]([C@@H](N)C[NH3+])C1 258103523 573740732 /nfs/dbraw/zinc/74/07/32/573740732.db2.gz KLWAONRSWQEZSC-IUCAKERBSA-N 2 0 171.288 0.003 10 0 ACAERP O[C@H]1CC[NH2+]C[C@H]1C[NH+]1CCCCC1 257858929 573740814 /nfs/dbraw/zinc/74/08/14/573740814.db2.gz OHGLZZCWRAFREY-QWRGUYRKSA-N 2 0 198.310 0.443 10 0 ACAERP CN1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 258898980 573741230 /nfs/dbraw/zinc/74/12/30/573741230.db2.gz DFBOIMYHHZFTQO-MNOVXSKESA-N 2 0 197.326 0.280 10 0 ACAERP CCC[N@H+](C)CCCN1CC[NH2+]CC1 258899621 573741324 /nfs/dbraw/zinc/74/13/24/573741324.db2.gz KSCNFRLKSZRNEQ-UHFFFAOYSA-N 2 0 199.342 0.624 10 0 ACAERP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCO 126914784 573741512 /nfs/dbraw/zinc/74/15/12/573741512.db2.gz URPPKUJQZMVPLD-DTWKUNHWSA-N 2 0 172.272 0.038 10 0 ACAERP [NH3+][C@@H](C1CCCC1)C1C[NH2+]C1 259174128 573741612 /nfs/dbraw/zinc/74/16/12/573741612.db2.gz FAXQAEKTAUJMHF-VIFPVBQESA-N 2 0 154.257 0.723 10 0 ACAERP [NH3+][C@H](C1CCCC1)C1C[NH2+]C1 259174126 573741915 /nfs/dbraw/zinc/74/19/15/573741915.db2.gz FAXQAEKTAUJMHF-SECBINFHSA-N 2 0 154.257 0.723 10 0 ACAERP CC[C@H](C1C[NH2+]C1)[N@@H+]1CC[C@H](CO)C1 716144988 573741970 /nfs/dbraw/zinc/74/19/70/573741970.db2.gz OMFJLWUFXNIMBH-GXSJLCMTSA-N 2 0 198.310 0.299 10 0 ACAERP CC[C@H]([NH2+]C)[C@H](C)C[NH3+] 259174403 573742046 /nfs/dbraw/zinc/74/20/46/573742046.db2.gz CMKMPHHTFSJZIN-RQJHMYQMSA-N 2 0 130.235 0.579 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H]2CC[NH2+][C@H](CO)C2)C1 258513757 573742068 /nfs/dbraw/zinc/74/20/68/573742068.db2.gz LBISCUUHZBHQHC-DCAQKATOSA-N 2 0 198.310 0.299 10 0 ACAERP CC1CC[NH+](CCCNCC[NH3+])CC1 308697732 573742110 /nfs/dbraw/zinc/74/21/10/573742110.db2.gz UDXBUNZDROKCIO-UHFFFAOYSA-N 2 0 199.342 0.657 10 0 ACAERP [NH3+]C1(CC[NH2+]CCF)CCC1 393561129 573744285 /nfs/dbraw/zinc/74/42/85/573744285.db2.gz KMLQPHJTWQBZOY-UHFFFAOYSA-N 2 0 160.236 0.817 10 0 ACAERP CC(C)[N@@H+]1CC[C@@H]([C@@H](N)C[NH3+])C1 258103518 573743260 /nfs/dbraw/zinc/74/32/60/573743260.db2.gz KLWAONRSWQEZSC-BDAKNGLRSA-N 2 0 171.288 0.003 10 0 ACAERP CC(C)[N@@H+]1CC[C@@H]([C@H](N)C[NH3+])C1 258103526 573743735 /nfs/dbraw/zinc/74/37/35/573743735.db2.gz KLWAONRSWQEZSC-RKDXNWHRSA-N 2 0 171.288 0.003 10 0 ACAERP CC(C)[N@@H+]1CC[C@H]([C@H](N)C[NH3+])C1 258103521 573743755 /nfs/dbraw/zinc/74/37/55/573743755.db2.gz KLWAONRSWQEZSC-DTWKUNHWSA-N 2 0 171.288 0.003 10 0 ACAERP CC[C@@H](C1C[NH2+]C1)[N@@H+]1CC[C@H](CO)C1 716144997 573744314 /nfs/dbraw/zinc/74/43/14/573744314.db2.gz OMFJLWUFXNIMBH-ONGXEEELSA-N 2 0 198.310 0.299 10 0 ACAERP CN1CC[NH+]=C1c1ccccc1C[NH3+] 108300494 573744048 /nfs/dbraw/zinc/74/40/48/573744048.db2.gz PCBPSDXXMIEUBJ-UHFFFAOYSA-N 2 0 189.262 0.837 10 0 ACAERP CC[C@H](C1C[NH2+]C1)N1CC[NH+](C)CC1 716145849 573744080 /nfs/dbraw/zinc/74/40/80/573744080.db2.gz QGLQOBZKRBKOGS-LLVKDONJSA-N 2 0 197.326 0.232 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H]2CC[NH2+][C@@H](CO)C2)C1 258513762 573744231 /nfs/dbraw/zinc/74/42/31/573744231.db2.gz LBISCUUHZBHQHC-OUAUKWLOSA-N 2 0 198.310 0.299 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H](CC[NH+](C)C)N1C 108298485 573746630 /nfs/dbraw/zinc/74/66/30/573746630.db2.gz BUVWWBYTXGURDP-NXEZZACHSA-N 2 0 185.315 0.230 10 0 ACAERP CC[N@@H+]1CCCN([C@@H](C)C[NH3+])CC1 108298497 573746644 /nfs/dbraw/zinc/74/66/44/573746644.db2.gz UYGGTNPWHOPBMK-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP CC[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87039941 573746699 /nfs/dbraw/zinc/74/66/99/573746699.db2.gz MMUFRYYUQCJSFE-SFYZADRCSA-N 2 0 142.246 0.675 10 0 ACAERP CCn1nc(C[NH3+])c2c1CC[N@H+](C)C2 257863127 573746827 /nfs/dbraw/zinc/74/68/27/573746827.db2.gz 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186.299 0.740 10 0 ACAERP C[C@@H]([NH2+]CC(C)(C)CO)C1C[NH2+]C1 686243637 573816968 /nfs/dbraw/zinc/81/69/68/573816968.db2.gz RAVFDXCGORLGGJ-MRVPVSSYSA-N 2 0 186.299 0.202 10 0 ACAERP [NH3+]Cc1cc(CC[NH+]2CCCC2)on1 258434578 573816984 /nfs/dbraw/zinc/81/69/84/573816984.db2.gz FWNKKTJOJVFBIN-UHFFFAOYSA-N 2 0 195.266 0.772 10 0 ACAERP CCn1nc2c(c1C[NH3+])C[N@@H+](C)CC2 257880215 573817129 /nfs/dbraw/zinc/81/71/29/573817129.db2.gz VHPTUGPIZLZVGR-UHFFFAOYSA-N 2 0 194.282 0.350 10 0 ACAERP CCO[C@@H](CC[NH3+])[C@H]1CCC[NH2+]C1 257881274 573817262 /nfs/dbraw/zinc/81/72/62/573817262.db2.gz MAMZKASUGQCFRS-UWVGGRQHSA-N 2 0 186.299 0.740 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1COC1 87194570 573817322 /nfs/dbraw/zinc/81/73/22/573817322.db2.gz OJXXWEWJPQVFMC-CBAPKCEASA-N 2 0 170.256 0.102 10 0 ACAERP CC(C)[C@H]([NH3+])CCN1CC[NH2+]CC1 259622279 573817466 /nfs/dbraw/zinc/81/74/66/573817466.db2.gz XZNPAZOPYVYSMJ-SNVBAGLBSA-N 2 0 185.315 0.265 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C[C@@H]2O)C1 258146981 573817470 /nfs/dbraw/zinc/81/74/70/573817470.db2.gz ROXUKHVOYVAFMC-AXFHLTTASA-N 2 0 198.310 0.299 10 0 ACAERP C[C@]1(O)CC[NH2+]C[C@@H]1[C@H]1CCC[NH2+]C1 258147309 573817544 /nfs/dbraw/zinc/81/75/44/573817544.db2.gz RREORHTYSYYYDZ-AXFHLTTASA-N 2 0 198.310 0.347 10 0 ACAERP C[C@]1(O)CC[NH2+]C[C@H]1[C@H]1CCC[NH2+]C1 258147311 573817623 /nfs/dbraw/zinc/81/76/23/573817623.db2.gz RREORHTYSYYYDZ-DCAQKATOSA-N 2 0 198.310 0.347 10 0 ACAERP COCC[C@H](C[NH3+])C[NH2+]C1CC1 258146768 573817642 /nfs/dbraw/zinc/81/76/42/573817642.db2.gz MSTGWVOKWHEXQQ-MRVPVSSYSA-N 2 0 172.272 0.350 10 0 ACAERP C[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84312076 573817671 /nfs/dbraw/zinc/81/76/71/573817671.db2.gz AYNOVEMBEJLUDP-JGVFFNPUSA-N 2 0 142.246 0.581 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1COC1 87194568 573817707 /nfs/dbraw/zinc/81/77/07/573817707.db2.gz OJXXWEWJPQVFMC-IONNQARKSA-N 2 0 170.256 0.102 10 0 ACAERP C[NH+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311635 573817737 /nfs/dbraw/zinc/81/77/37/573817737.db2.gz 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CO[C@@H](C[NH3+])[C@@H]1CCC[N@H+](C)C1 257883325 573818136 /nfs/dbraw/zinc/81/81/36/573818136.db2.gz MKBBRGGAZMEYIN-BDAKNGLRSA-N 2 0 172.272 0.302 10 0 ACAERP c1cn(CC[NH2+]C2CC[NH2+]CC2)cn1 41050980 573818144 /nfs/dbraw/zinc/81/81/44/573818144.db2.gz DVLMMWJXJSGTIP-UHFFFAOYSA-N 2 0 194.282 0.225 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C[C@@H]2O)C1 258146986 573818219 /nfs/dbraw/zinc/81/82/19/573818219.db2.gz ROXUKHVOYVAFMC-DCAQKATOSA-N 2 0 198.310 0.299 10 0 ACAERP CC[NH2+]C[C@H]1CCC[C@H]1C[NH3+] 84312088 573818232 /nfs/dbraw/zinc/81/82/32/573818232.db2.gz TYFFQBPDPQNDKI-DTWKUNHWSA-N 2 0 156.273 0.971 10 0 ACAERP Nc1ccc2c[nH+]c(CC[NH3+])n2c1 258147045 573818250 /nfs/dbraw/zinc/81/82/50/573818250.db2.gz HBUFYOOGDOFIDQ-UHFFFAOYSA-N 2 0 176.223 0.418 10 0 ACAERP C[C@H]([NH2+]C1COC1)C1CC[NH+](C)CC1 87194710 573818854 /nfs/dbraw/zinc/81/88/54/573818854.db2.gz SOQAUVDISNUFAF-VIFPVBQESA-N 2 0 198.310 0.705 10 0 ACAERP C[NH2+]C[C@H](C[NH3+])CC(C)C 87187369 573818547 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SWVPLTIYYGOBRM-IUCAKERBSA-N 2 0 156.273 0.971 10 0 ACAERP C[NH2+]Cc1cccnc1C[NH3+] 258435387 573819644 /nfs/dbraw/zinc/81/96/44/573819644.db2.gz DLWXJASASQSHMP-UHFFFAOYSA-N 2 0 151.213 0.260 10 0 ACAERP [NH3+]C1CCC(O)(C[NH+]2CCCC2)CC1 257883550 573819693 /nfs/dbraw/zinc/81/96/93/573819693.db2.gz SJSIYOZAMFYPLT-UHFFFAOYSA-N 2 0 198.310 0.715 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C[C@H]2O)C1 258146990 573819843 /nfs/dbraw/zinc/81/98/43/573819843.db2.gz ROXUKHVOYVAFMC-GARJFASQSA-N 2 0 198.310 0.299 10 0 ACAERP C[NH+](C)C[C@@H]1C[NH2+]CC[C@H]1F 258435434 573819904 /nfs/dbraw/zinc/81/99/04/573819904.db2.gz DNEKNVODGCFYSQ-JGVFFNPUSA-N 2 0 160.236 0.496 10 0 ACAERP CCC[N@@H+]1CC[C@](C[NH3+])(N(C)C)C1 259203147 573819934 /nfs/dbraw/zinc/81/99/34/573819934.db2.gz FSVJYRYBRDFXGJ-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP [NH3+]C[C@H]1CCC[C@H]1C[NH+]1CCOCC1 84311479 573820150 /nfs/dbraw/zinc/82/01/50/573820150.db2.gz VHIXEDSYSGQYSE-MNOVXSKESA-N 2 0 198.310 0.694 10 0 ACAERP CCCC[C@H](C[NH3+])N1CC[NH+](C)CC1 41053046 573820156 /nfs/dbraw/zinc/82/01/56/573820156.db2.gz OIQLXBASJTZNJQ-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP [NH3+]Cc1coc(C2CC[NH2+]CC2)n1 258146044 573820190 /nfs/dbraw/zinc/82/01/90/573820190.db2.gz QESCZJXSENQACH-UHFFFAOYSA-N 2 0 181.239 0.600 10 0 ACAERP C[NH2+]C[C@@H]1CCC[C@H]1C[NH3+] 84312073 573820400 /nfs/dbraw/zinc/82/04/00/573820400.db2.gz AYNOVEMBEJLUDP-YUMQZZPRSA-N 2 0 142.246 0.581 10 0 ACAERP C[C@@H]([NH2+]C1COC1)C1CC[NH+](C)CC1 87194711 573820427 /nfs/dbraw/zinc/82/04/27/573820427.db2.gz SOQAUVDISNUFAF-SECBINFHSA-N 2 0 198.310 0.705 10 0 ACAERP CO[C@H](C[NH3+])[C@H]1CCC[N@H+](C)C1 257883326 573820561 /nfs/dbraw/zinc/82/05/61/573820561.db2.gz MKBBRGGAZMEYIN-DTWKUNHWSA-N 2 0 172.272 0.302 10 0 ACAERP [NH3+]CC/C=C\[C@H]1CC[NH2+]C1 258147117 573820615 /nfs/dbraw/zinc/82/06/15/573820615.db2.gz KEPARNGEDMPCOV-CJKINAQCSA-N 2 0 140.230 0.501 10 0 ACAERP COCC[C@@H](C[NH3+])C[NH2+]C1CC1 258146772 573821434 /nfs/dbraw/zinc/82/14/34/573821434.db2.gz MSTGWVOKWHEXQQ-QMMMGPOBSA-N 2 0 172.272 0.350 10 0 ACAERP CC[C@@H]([NH2+]C)C1([NH3+])CC1 259203448 573821497 /nfs/dbraw/zinc/82/14/97/573821497.db2.gz LCHGLFVKGNZCLF-ZCFIWIBFSA-N 2 0 128.219 0.476 10 0 ACAERP [NH3+]CC/C=C\[C@@H]1CC[NH2+]C1 258147120 573821509 /nfs/dbraw/zinc/82/15/09/573821509.db2.gz KEPARNGEDMPCOV-XKKRXVNHSA-N 2 0 140.230 0.501 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@]2(CO)CCC[NH2+]2)C1 258148466 573821518 /nfs/dbraw/zinc/82/15/18/573821518.db2.gz NAPTUSOWFAMIGO-NXEZZACHSA-N 2 0 184.283 0.053 10 0 ACAERP CC1(C)C[NH2+][C@@H]([C@H]2CCC[NH2+]C2)O1 258515101 573821713 /nfs/dbraw/zinc/82/17/13/573821713.db2.gz MWFGVPAQHQSBNJ-DTWKUNHWSA-N 2 0 184.283 0.711 10 0 ACAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH+]1CCOCC1 84311484 573821638 /nfs/dbraw/zinc/82/16/38/573821638.db2.gz VHIXEDSYSGQYSE-GHMZBOCLSA-N 2 0 198.310 0.694 10 0 ACAERP CC(C)[N@H+](C)CN1CC[NH2+]CC1 258963399 573821656 /nfs/dbraw/zinc/82/16/56/573821656.db2.gz TWKXRGOASYUJLN-UHFFFAOYSA-N 2 0 171.288 0.189 10 0 ACAERP CC1(C)C[NH2+][C@H]([C@H]2CCC[NH2+]C2)O1 258515103 573821816 /nfs/dbraw/zinc/82/18/16/573821816.db2.gz MWFGVPAQHQSBNJ-IUCAKERBSA-N 2 0 184.283 0.711 10 0 ACAERP C[N@@H+]1CC[C@H]([C@]2(CO)CCC[NH2+]2)C1 258148468 573821826 /nfs/dbraw/zinc/82/18/26/573821826.db2.gz NAPTUSOWFAMIGO-VHSXEESVSA-N 2 0 184.283 0.053 10 0 ACAERP C[C@@H]1OCC[C@]1(C)[NH2+]C/C=C/C[NH3+] 393592340 573821996 /nfs/dbraw/zinc/82/19/96/573821996.db2.gz WSQIQNYIJQYRQY-OHINUGQQSA-N 2 0 184.283 0.658 10 0 ACAERP CC1(C[NH2+][C@H]2CC[C@H]([NH3+])C2)COC1 87197384 573822072 /nfs/dbraw/zinc/82/20/72/573822072.db2.gz DAUQSSBALMMLND-IUCAKERBSA-N 2 0 184.283 0.492 10 0 ACAERP C[NH2+]C[C@H]1CCCC[C@H]1C[NH3+] 84303310 573822086 /nfs/dbraw/zinc/82/20/86/573822086.db2.gz SWVPLTIYYGOBRM-DTWKUNHWSA-N 2 0 156.273 0.971 10 0 ACAERP C[C@@H]1OCC[C@@]1(C)[NH2+]C/C=C/C[NH3+] 393592339 573822104 /nfs/dbraw/zinc/82/21/04/573822104.db2.gz WSQIQNYIJQYRQY-FCVPOFOPSA-N 2 0 184.283 0.658 10 0 ACAERP CO[C@@H](C[NH3+])[C@H]1CCC[N@H+](C)C1 257883327 573822110 /nfs/dbraw/zinc/82/21/10/573822110.db2.gz MKBBRGGAZMEYIN-IUCAKERBSA-N 2 0 172.272 0.302 10 0 ACAERP CC1(C[NH2+][C@@H]2CC[C@@H]([NH3+])C2)COC1 87197385 573822227 /nfs/dbraw/zinc/82/22/27/573822227.db2.gz DAUQSSBALMMLND-RKDXNWHRSA-N 2 0 184.283 0.492 10 0 ACAERP C[NH+](C)C[C@H]1CCC[C@H]1C[NH3+] 84311647 573822229 /nfs/dbraw/zinc/82/22/29/573822229.db2.gz KMBJFINXECFLHJ-DTWKUNHWSA-N 2 0 156.273 0.923 10 0 ACAERP CO[C@H](C[NH3+])[C@@H]1CCC[N@H+](C)C1 257883328 573822287 /nfs/dbraw/zinc/82/22/87/573822287.db2.gz MKBBRGGAZMEYIN-RKDXNWHRSA-N 2 0 172.272 0.302 10 0 ACAERP C[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] 84303297 573822259 /nfs/dbraw/zinc/82/22/59/573822259.db2.gz SWVPLTIYYGOBRM-BDAKNGLRSA-N 2 0 156.273 0.971 10 0 ACAERP CC1(C[NH2+]C2CCC([NH3+])CC2)COC1 87197286 573824012 /nfs/dbraw/zinc/82/40/12/573824012.db2.gz NXAUXZSUUQFKCA-UHFFFAOYSA-N 2 0 198.310 0.882 10 0 ACAERP CC(C)[NH2+]CCN1CCC[NH2+]CC1 43500971 573824080 /nfs/dbraw/zinc/82/40/80/573824080.db2.gz FHWJXWUEVJAKFF-UHFFFAOYSA-N 2 0 185.315 0.280 10 0 ACAERP [NH3+]C1CCC(O)([C@H]2CCC[NH2+]2)CC1 84323452 573827822 /nfs/dbraw/zinc/82/78/22/573827822.db2.gz UMYRVBFCZTWTTJ-HWOCKDDLSA-N 2 0 184.283 0.371 10 0 ACAERP C[NH+](C)CCO[C@@H]1CCC[C@H]1[NH3+] 131383831 573826936 /nfs/dbraw/zinc/82/69/36/573826936.db2.gz CIUAGQPNBDHGIF-RKDXNWHRSA-N 2 0 172.272 0.444 10 0 ACAERP C[NH2+]C1CCC(O)([C@@H]2CCC[NH2+]2)CC1 84323761 573827849 /nfs/dbraw/zinc/82/78/49/573827849.db2.gz XATHJYCYDAPWGK-YVNMAJEFSA-N 2 0 198.310 0.632 10 0 ACAERP [NH3+]C[C@@H](F)C[C@@H]1CC[NH2+]C1 258431807 573827907 /nfs/dbraw/zinc/82/79/07/573827907.db2.gz DBFXBZITJJHPBS-BQBZGAKWSA-N 2 0 146.209 0.283 10 0 ACAERP C[NH+](C)CCO[C@@H]1CCC[C@@H]1[NH3+] 131383446 573828371 /nfs/dbraw/zinc/82/83/71/573828371.db2.gz CIUAGQPNBDHGIF-DTWKUNHWSA-N 2 0 172.272 0.444 10 0 ACAERP C[NH+](C)[C@@H](CCO)[C@H]1CC[N@H+](C)C1 259573344 573828616 /nfs/dbraw/zinc/82/86/16/573828616.db2.gz PHSLTJBEGPBSJH-UWVGGRQHSA-N 2 0 186.299 0.251 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H](O)C[NH2+]C2CCC2)C1 258144653 573828688 /nfs/dbraw/zinc/82/86/88/573828688.db2.gz MPFJNIQFLRTNLV-KOLCDFICSA-N 2 0 198.310 0.441 10 0 ACAERP C[NH2+]C[C@H]([NH3+])C1CCSCC1 258151109 573828778 /nfs/dbraw/zinc/82/87/78/573828778.db2.gz MYSVCWHNADMAIJ-QMMMGPOBSA-N 2 0 174.313 0.676 10 0 ACAERP C[NH2+]C[C@](C)(F)[C@H]1CC[N@H+](C)C1 257886250 573829380 /nfs/dbraw/zinc/82/93/80/573829380.db2.gz MQIBMTLOIXDKSD-IUCAKERBSA-N 2 0 174.263 0.886 10 0 ACAERP C[NH2+]C[C@@H]([NH3+])C1CCSCC1 258151106 573828964 /nfs/dbraw/zinc/82/89/64/573828964.db2.gz MYSVCWHNADMAIJ-MRVPVSSYSA-N 2 0 174.313 0.676 10 0 ACAERP CC[N@@H+]1CC[C@@H](C[C@@H]2[NH2+]CCO2)C1 258143960 573829022 /nfs/dbraw/zinc/82/90/22/573829022.db2.gz OVPASZWKKHBFLL-VHSXEESVSA-N 2 0 184.283 0.664 10 0 ACAERP CC[C@@H](COC)n1cncc1CC[NH3+] 131408859 573829039 /nfs/dbraw/zinc/82/90/39/573829039.db2.gz WNKSRUUHVKUNMA-VIFPVBQESA-N 2 0 197.282 0.982 10 0 ACAERP [NH3+]CCc1coc(C2CC[NH2+]CC2)n1 258143836 573829046 /nfs/dbraw/zinc/82/90/46/573829046.db2.gz QATJMXXSRRRORU-UHFFFAOYSA-N 2 0 195.266 0.643 10 0 ACAERP C[NH+](C)CCCC1([NH3+])CC1 84327755 573829114 /nfs/dbraw/zinc/82/91/14/573829114.db2.gz IOMVHMDVGRDBMS-UHFFFAOYSA-N 2 0 142.246 0.820 10 0 ACAERP [NH3+]Cc1cnn(C2CC[NH2+]CC2)c1F 258142053 573833248 /nfs/dbraw/zinc/83/32/48/573833248.db2.gz REDMOUPOHQCBBB-UHFFFAOYSA-N 2 0 198.245 0.405 10 0 ACAERP N[C@H](C[NH2+]C1CC1)c1cc[nH]c1 259206989 573833321 /nfs/dbraw/zinc/83/33/21/573833321.db2.gz GGJJBAQRCLKCJL-SECBINFHSA-N 2 0 165.240 0.767 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@@H](N)C2(C[NH3+])CCC2)C1 259207370 573834134 /nfs/dbraw/zinc/83/41/34/573834134.db2.gz DSYAOVIJOHXFBT-NXEZZACHSA-N 2 0 197.326 0.394 10 0 ACAERP [NH3+]C1([C@@H]2CCC[NH2+]2)CCC1 258149294 573833287 /nfs/dbraw/zinc/83/32/87/573833287.db2.gz WADVWOXJLKQCDR-ZETCQYMHSA-N 2 0 140.230 0.620 10 0 ACAERP CC[C@@H](C(N)=[NH2+])N1CCC(OC)CC1 43540961 573832642 /nfs/dbraw/zinc/83/26/42/573832642.db2.gz YMYLDZNFDVREPV-VIFPVBQESA-N 2 0 199.298 0.812 10 0 ACAERP [NH3+]Cc1ccc([C@@H]2[NH2+]CC[C@H]2O)cc1 257886496 573832646 /nfs/dbraw/zinc/83/26/46/573832646.db2.gz WIASXDQCCRZDJH-MNOVXSKESA-N 2 0 192.262 0.541 10 0 ACAERP CC[C@H](C[NH3+])CC[NH+](C)C 84327939 573832686 /nfs/dbraw/zinc/83/26/86/573832686.db2.gz MOZLVZWMFVRPPP-QMMMGPOBSA-N 2 0 144.262 0.923 10 0 ACAERP C[NH+](C)[C@H](CCO)[C@@H]1CC[N@H+](C)C1 259573340 573832808 /nfs/dbraw/zinc/83/28/08/573832808.db2.gz PHSLTJBEGPBSJH-NXEZZACHSA-N 2 0 186.299 0.251 10 0 ACAERP Nc1ccc2[nH]c(NCC[NH3+])[nH+]c2c1 87225408 573832810 /nfs/dbraw/zinc/83/28/10/573832810.db2.gz PJOSUDWHYVHPOE-UHFFFAOYSA-N 2 0 191.238 0.516 10 0 ACAERP C[C@H]1CN(CCC[NH3+])CCC[NH2+]1 258143208 573832837 /nfs/dbraw/zinc/83/28/37/573832837.db2.gz MTUFTXUTOOXVJQ-VIFPVBQESA-N 2 0 171.288 0.019 10 0 ACAERP CCN1CC[NH+]=C1NC[C@@H]1CCC[NH2+]1 258143719 573832901 /nfs/dbraw/zinc/83/29/01/573832901.db2.gz RIVVBIBESOVKRM-VIFPVBQESA-N 2 0 196.298 0.020 10 0 ACAERP CCN1CC[NH+]=C1NC[C@H]1CCC[NH2+]1 258143717 573832912 /nfs/dbraw/zinc/83/29/12/573832912.db2.gz RIVVBIBESOVKRM-SECBINFHSA-N 2 0 196.298 0.020 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H](O)C[NH2+]C2CCC2)C1 258144650 573832997 /nfs/dbraw/zinc/83/29/97/573832997.db2.gz MPFJNIQFLRTNLV-GXSJLCMTSA-N 2 0 198.310 0.441 10 0 ACAERP CC(C)[NH+]1CCC([NH3+])(CC(N)=O)CC1 107239550 573833467 /nfs/dbraw/zinc/83/34/67/573833467.db2.gz CTCLNXSSFOKQSJ-UHFFFAOYSA-N 2 0 199.298 0.064 10 0 ACAERP C[C@H]1CC[C@H](O)C[N@H+]1[C@H](C)C1C[NH2+]C1 686255494 573833491 /nfs/dbraw/zinc/83/34/91/573833491.db2.gz MEYOSNDTFMRPFH-NGZCFLSTSA-N 2 0 198.310 0.440 10 0 ACAERP C[C@H](C[NH3+])CC[NH2+][C@@H]1CCN(C)C1 258966437 573834409 /nfs/dbraw/zinc/83/44/09/573834409.db2.gz SXIWSNPIMGSXQM-VHSXEESVSA-N 2 0 185.315 0.265 10 0 ACAERP CC(C)(C)OC1(C[NH3+])CC[NH2+]CC1 259622988 573833653 /nfs/dbraw/zinc/83/36/53/573833653.db2.gz FJOPFOOKPNXVGW-UHFFFAOYSA-N 2 0 186.299 0.882 10 0 ACAERP C[C@H](CC[NH3+])[C@H]([NH3+])C1CC[NH+](C)CC1 259575238 573833688 /nfs/dbraw/zinc/83/36/88/573833688.db2.gz YTXDKOQWNHDEOS-KOLCDFICSA-N 3 0 199.342 0.640 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H](N)C2(C[NH3+])CCC2)C1 259207381 573833786 /nfs/dbraw/zinc/83/37/86/573833786.db2.gz DSYAOVIJOHXFBT-VHSXEESVSA-N 2 0 197.326 0.394 10 0 ACAERP C[C@@H](CC[NH3+])[C@@H]([NH3+])C1CC[NH+](C)CC1 259575234 573834192 /nfs/dbraw/zinc/83/41/92/573834192.db2.gz YTXDKOQWNHDEOS-GXSJLCMTSA-N 3 0 199.342 0.640 10 0 ACAERP F[C@@]1(CN[C@@H]2CCOC2)CC[NH2+]C1 257886589 573834193 /nfs/dbraw/zinc/83/41/93/573834193.db2.gz WJNXCVZLNVACLI-BDAKNGLRSA-N 2 0 188.246 0.067 10 0 ACAERP CC(C)CNC(=[NH2+])NC(=[NH2+])N(C)C 238155327 573834242 /nfs/dbraw/zinc/83/42/42/573834242.db2.gz PKKDXMSUZFJKBD-UHFFFAOYSA-N 2 0 185.275 0.253 10 0 ACAERP CC[C@@H](C[C@H]1C[N@H+](C)CCN1)[NH+](C)C 259573595 573837276 /nfs/dbraw/zinc/83/72/76/573837276.db2.gz PKHXWTWMSZLMDJ-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP CC(C)N(CCCO)[C@@H](C)C(N)=[NH2+] 43528691 573836208 /nfs/dbraw/zinc/83/62/08/573836208.db2.gz UPNFETBSWOTMBO-QMMMGPOBSA-N 2 0 187.287 0.404 10 0 ACAERP CC(C)C[NH2+]C[C@]1(F)CC[NH2+]C1 257887250 573836650 /nfs/dbraw/zinc/83/66/50/573836650.db2.gz MSZLIBOJAUIMGD-VIFPVBQESA-N 2 0 174.263 0.934 10 0 ACAERP C[N@@H+]1CC[C@H]([C@H](N)C2(C[NH3+])CCC2)C1 259207376 573836695 /nfs/dbraw/zinc/83/66/95/573836695.db2.gz DSYAOVIJOHXFBT-UWVGGRQHSA-N 2 0 197.326 0.394 10 0 ACAERP C[C@H](CC[NH3+])[C@@H]([NH3+])C1CC[NH+](C)CC1 259575242 573836798 /nfs/dbraw/zinc/83/67/98/573836798.db2.gz YTXDKOQWNHDEOS-MWLCHTKSSA-N 3 0 199.342 0.640 10 0 ACAERP C[C@H]1CC[C@H](O)C[N@H+]1[C@@H](C)C1C[NH2+]C1 686255495 573836857 /nfs/dbraw/zinc/83/68/57/573836857.db2.gz MEYOSNDTFMRPFH-QXEWZRGKSA-N 2 0 198.310 0.440 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@H](N)C2(C[NH3+])CCC2)C1 259207386 573836859 /nfs/dbraw/zinc/83/68/59/573836859.db2.gz DSYAOVIJOHXFBT-ZJUUUORDSA-N 2 0 197.326 0.394 10 0 ACAERP C[C@H]1C[C@H](N(C)[C@@H]2CC[NH2+]C2)C[N@@H+]1C 127345897 573837007 /nfs/dbraw/zinc/83/70/07/573837007.db2.gz SVLHKSCNSSSJBY-AXFHLTTASA-N 2 0 197.326 0.373 10 0 ACAERP C[C@H]1C[C@@H](N(C)[C@@H]2CC[NH2+]C2)C[N@@H+]1C 127346356 573837035 /nfs/dbraw/zinc/83/70/35/573837035.db2.gz SVLHKSCNSSSJBY-HBNTYKKESA-N 2 0 197.326 0.373 10 0 ACAERP CC[C@H](C[C@@H]1C[N@H+](C)CCN1)[NH+](C)C 259573590 573837044 /nfs/dbraw/zinc/83/70/44/573837044.db2.gz PKHXWTWMSZLMDJ-GHMZBOCLSA-N 2 0 199.342 0.620 10 0 ACAERP C[NH+](C)CC[C@H]1OC[C@@H](CC[NH3+])O1 258965635 573837128 /nfs/dbraw/zinc/83/71/28/573837128.db2.gz XYZMBPPICWJOHC-BDAKNGLRSA-N 2 0 188.271 0.028 10 0 ACAERP F[C@]1(CN[C@H]2CCOC2)CC[NH2+]C1 257886592 573837130 /nfs/dbraw/zinc/83/71/30/573837130.db2.gz WJNXCVZLNVACLI-DTWKUNHWSA-N 2 0 188.246 0.067 10 0 ACAERP CC(C)[C@H](CO)[N@@H+]1CCC[C@@H]([NH3+])C1 238155000 573837158 /nfs/dbraw/zinc/83/71/58/573837158.db2.gz BEXJQBMZWXRYBJ-ZJUUUORDSA-N 2 0 186.299 0.426 10 0 ACAERP CC[C@@H](C[C@@H]1C[N@H+](C)CCN1)[NH+](C)C 259573593 573837240 /nfs/dbraw/zinc/83/72/40/573837240.db2.gz PKHXWTWMSZLMDJ-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP [NH3+]CCCc1cnc([C@@H]2CC[NH2+]C2)o1 258150042 573839392 /nfs/dbraw/zinc/83/93/92/573839392.db2.gz QLGHGKBRFJJYGE-MRVPVSSYSA-N 2 0 195.266 0.643 10 0 ACAERP C[C@@H]([NH3+])CCC[NH2+][C@H]1CCN(C)C1 258968275 573839523 /nfs/dbraw/zinc/83/95/23/573839523.db2.gz SYXVQLRQUPWFDK-ZJUUUORDSA-N 2 0 185.315 0.408 10 0 ACAERP CCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 257887301 573840756 /nfs/dbraw/zinc/84/07/56/573840756.db2.gz MVBSFVPZGJGHSJ-VIFPVBQESA-N 2 0 172.272 0.101 10 0 ACAERP C[C@@H]([NH3+])CCC[NH2+][C@@H]1CCN(C)C1 258968263 573841013 /nfs/dbraw/zinc/84/10/13/573841013.db2.gz SYXVQLRQUPWFDK-NXEZZACHSA-N 2 0 185.315 0.408 10 0 ACAERP C[N@H+](CCCF)CC[C@](C)(O)C[NH3+] 716809343 573841296 /nfs/dbraw/zinc/84/12/96/573841296.db2.gz PDVHKHWAVPMBQA-VIFPVBQESA-N 2 0 192.278 0.378 10 0 ACAERP [NH3+]CCCc1coc([C@H]2CC[NH2+]C2)n1 258150027 573841448 /nfs/dbraw/zinc/84/14/48/573841448.db2.gz 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RSGCVQPNDHVJGJ-VHSXEESVSA-N 2 0 184.283 0.589 10 0 ACAERP F[C@H]1CC[NH2+]C[C@@H]1C1C[NH2+]C1 238539582 573852528 /nfs/dbraw/zinc/85/25/28/573852528.db2.gz WKWGKEMIMUVEIR-SFYZADRCSA-N 2 0 158.220 0.153 10 0 ACAERP Cc1sc(C[NH3+])nc1[C@H]1CC[NH2+]C1 258161716 573852532 /nfs/dbraw/zinc/85/25/32/573852532.db2.gz SVYPDVGXYADMKN-ZETCQYMHSA-N 2 0 197.307 0.987 10 0 ACAERP CC(C)C[N@@H+]1CCC[C@@](O)(C[NH3+])C1 238150583 573851615 /nfs/dbraw/zinc/85/16/15/573851615.db2.gz DJNFGCGQWHWKPP-SNVBAGLBSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@H]([NH3+])[C@H](F)C1CC[NH2+]CC1 258437035 573851631 /nfs/dbraw/zinc/85/16/31/573851631.db2.gz DQNSEFHJASXFCE-XPUUQOCRSA-N 2 0 160.236 0.671 10 0 ACAERP F[C@H]1CC[NH2+]C[C@@H]1C1CC[NH2+]CC1 238539554 573851818 /nfs/dbraw/zinc/85/18/18/573851818.db2.gz IJSYTRBADXDLGQ-ZJUUUORDSA-N 2 0 186.274 0.934 10 0 ACAERP CC(C)[C@@H](CO)[N@@H+]1CCC[C@@H]([NH3+])C1 238151910 573851838 /nfs/dbraw/zinc/85/18/38/573851838.db2.gz BEXJQBMZWXRYBJ-NXEZZACHSA-N 2 0 186.299 0.426 10 0 ACAERP 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198.310 0.633 10 0 ACAERP CCN(CCOC)[C@@H](C)[C@@H](C)[NH2+]C 43968595 573869158 /nfs/dbraw/zinc/86/91/58/573869158.db2.gz UCQPIDAYIGXIMK-ZJUUUORDSA-N 2 0 188.315 0.951 10 0 ACAERP CC[NH2+][C@H](C)[C@@H](C)N(C)CCOC 43916175 573869201 /nfs/dbraw/zinc/86/92/01/573869201.db2.gz OMONZGWHRDXROD-NXEZZACHSA-N 2 0 188.315 0.951 10 0 ACAERP C1COCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 84385798 573869254 /nfs/dbraw/zinc/86/92/54/573869254.db2.gz ZWZUAVAMBMUVRH-LLVKDONJSA-N 2 0 198.310 0.708 10 0 ACAERP C1CO[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 258438839 573869302 /nfs/dbraw/zinc/86/93/02/573869302.db2.gz DVTVRGOZPHSASV-IUCAKERBSA-N 2 0 170.256 0.322 10 0 ACAERP F[C@H]1C[NH2+]C[C@H](C2C[NH2+]C2)C1 238549706 573869330 /nfs/dbraw/zinc/86/93/30/573869330.db2.gz ORVPAKFDEZXTTP-HTRCEHHLSA-N 2 0 158.220 0.153 10 0 ACAERP C[N@@H+]1CCC[C@H]([C@H](N)C2([NH3+])CC2)C1 259624552 573869443 /nfs/dbraw/zinc/86/94/43/573869443.db2.gz YBNIYHBRSFSMAT-IUCAKERBSA-N 2 0 183.299 0.147 10 0 ACAERP C[NH2+][C@H](C)[C@H](C)N(C)CCOC 43915676 573869564 /nfs/dbraw/zinc/86/95/64/573869564.db2.gz YTPLSTYMOKNYGE-BDAKNGLRSA-N 2 0 174.288 0.561 10 0 ACAERP C1CO[C@@H](C[NH2+]CC[C@@H]2CC[NH2+]C2)C1 84385029 573869610 /nfs/dbraw/zinc/86/96/10/573869610.db2.gz VQKHLXQNHRRTJC-WDEREUQCSA-N 2 0 198.310 0.755 10 0 ACAERP CC[NH2+][C@H](C)CN(CC)CCOC 43968652 573870849 /nfs/dbraw/zinc/87/08/49/573870849.db2.gz KKAAQYUKZBERHZ-SNVBAGLBSA-N 2 0 188.315 0.953 10 0 ACAERP CC(C)[C@@H]([NH3+])C[C@@H]1C[NH2+]CCN1C 259576744 573869772 /nfs/dbraw/zinc/86/97/72/573869772.db2.gz VYBFISVGGYHRHJ-ZJUUUORDSA-N 2 0 185.315 0.263 10 0 ACAERP C[NH2+][C@H]1CCOC[C@H]1N(C)CC1CC1 43905619 573869985 /nfs/dbraw/zinc/86/99/85/573869985.db2.gz VZDVFMNZOJDRKP-WDEREUQCSA-N 2 0 198.310 0.705 10 0 ACAERP CCN(CCOC)[C@H](C)[C@@H](C)[NH2+]C 43968596 573870038 /nfs/dbraw/zinc/87/00/38/573870038.db2.gz UCQPIDAYIGXIMK-NXEZZACHSA-N 2 0 188.315 0.951 10 0 ACAERP CCC(CC)(CC)NC(=[NH2+])NC(N)=[NH2+] 308458536 573870046 /nfs/dbraw/zinc/87/00/46/573870046.db2.gz DYKHSBIRIIHSDV-UHFFFAOYSA-N 2 0 199.302 0.963 10 0 ACAERP C[NH2+]C(C)(C)CNC[C@H]1CC[N@H+](C)C1 258978670 573870114 /nfs/dbraw/zinc/87/01/14/573870114.db2.gz XUSLZTRULKQTJR-SNVBAGLBSA-N 2 0 199.342 0.526 10 0 ACAERP [NH3+][C@@H]1C=C[C@@H](C[NH2+]CC(F)F)C1 147815103 573870207 /nfs/dbraw/zinc/87/02/07/573870207.db2.gz UDIQKIYWMZULKI-RNFRBKRXSA-N 2 0 176.210 0.745 10 0 ACAERP C[NH2+][C@@H](C)CCN(C)CCOC 43915611 573870235 /nfs/dbraw/zinc/87/02/35/573870235.db2.gz GLFSZQGXJZZTQI-VIFPVBQESA-N 2 0 174.288 0.563 10 0 ACAERP C[N@@H+]1CCC[C@@H]([C@@H](N)C2([NH3+])CC2)C1 259624553 573870249 /nfs/dbraw/zinc/87/02/49/573870249.db2.gz YBNIYHBRSFSMAT-RKDXNWHRSA-N 2 0 183.299 0.147 10 0 ACAERP CC[C@@H]([NH2+]C)[C@H](C)N1CC[NH+](C)CC1 43810439 573870435 /nfs/dbraw/zinc/87/04/35/573870435.db2.gz WMUJQOZQHPUSSZ-WDEREUQCSA-N 2 0 199.342 0.620 10 0 ACAERP C[NH2+][C@H]1CCC[C@H]1N(C)CCOC 43915261 573870888 /nfs/dbraw/zinc/87/08/88/573870888.db2.gz SMBJQBUXOYPABB-VHSXEESVSA-N 2 0 186.299 0.705 10 0 ACAERP C[NH2+][C@@H]1CCOC[C@@H]1N(C)CC1CC1 43905606 573870504 /nfs/dbraw/zinc/87/05/04/573870504.db2.gz VZDVFMNZOJDRKP-MNOVXSKESA-N 2 0 198.310 0.705 10 0 ACAERP CN1CC[NH2+][C@@H](C[C@@H]2CC[N@H+](C)C2)C1 259215142 573870607 /nfs/dbraw/zinc/87/06/07/573870607.db2.gz TUWVLEAPPHHQPB-QWRGUYRKSA-N 2 0 197.326 0.232 10 0 ACAERP C[NH2+]CCCN(C)[C@H]1C[C@H](C)[N@H+](C)C1 127390570 573871879 /nfs/dbraw/zinc/87/18/79/573871879.db2.gz VALAETKWVVIKOJ-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP O[C@@]1(C[NH2+]C2CCCC2)CCC[NH2+]C1 257889558 573871936 /nfs/dbraw/zinc/87/19/36/573871936.db2.gz UCRZBCFYBFFFQO-NSHDSACASA-N 2 0 198.310 0.633 10 0 ACAERP F[C@H]1C[NH2+]C[C@H](C2CC[NH2+]CC2)C1 238549687 573871940 /nfs/dbraw/zinc/87/19/40/573871940.db2.gz HWNLCGRQIXPIHI-NXEZZACHSA-N 2 0 186.274 0.934 10 0 ACAERP C[N@@H+]1CC[C@@H](CC[NH2+]CCCO)C1 258978361 573872078 /nfs/dbraw/zinc/87/20/78/573872078.db2.gz KXUFCIKBUKUBCG-SNVBAGLBSA-N 2 0 186.299 0.300 10 0 ACAERP CN1CC[NH2+][C@H](C[C@H]2CC[N@H+](C)C2)C1 259215140 573873159 /nfs/dbraw/zinc/87/31/59/573873159.db2.gz TUWVLEAPPHHQPB-GHMZBOCLSA-N 2 0 197.326 0.232 10 0 ACAERP F[C@H]1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 238549617 573873191 /nfs/dbraw/zinc/87/31/91/573873191.db2.gz HWNLCGRQIXPIHI-VHSXEESVSA-N 2 0 186.274 0.934 10 0 ACAERP C[NH2+]CCCN(C)[C@@H]1C[C@H](C)[N@H+](C)C1 127390994 573873471 /nfs/dbraw/zinc/87/34/71/573873471.db2.gz VALAETKWVVIKOJ-WDEREUQCSA-N 2 0 199.342 0.620 10 0 ACAERP CC[NH2+][C@@H](C)CN(CC)CCOC 43968651 573873512 /nfs/dbraw/zinc/87/35/12/573873512.db2.gz KKAAQYUKZBERHZ-JTQLQIEISA-N 2 0 188.315 0.953 10 0 ACAERP C[C@H](CCO)[N@@H+]1CC[C@H](C[NH3+])C1 215004781 573873612 /nfs/dbraw/zinc/87/36/12/573873612.db2.gz UILJMCYLZPNOTN-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP [NH3+]CCc1cnc(C2CC[NH2+]CC2)o1 258169945 573874777 /nfs/dbraw/zinc/87/47/77/573874777.db2.gz RJSDDBJJIBKACK-UHFFFAOYSA-N 2 0 195.266 0.643 10 0 ACAERP CN(CC1(C[NH3+])CC1)[C@@H]1CC[N@H+](C)C1 258980422 573876593 /nfs/dbraw/zinc/87/65/93/573876593.db2.gz UOGJTVHAIVVHJB-SNVBAGLBSA-N 2 0 197.326 0.361 10 0 ACAERP CC[N@@H+]1CCC[C@H](NC2C[NH2+]C2)C1 84418520 573876723 /nfs/dbraw/zinc/87/67/23/573876723.db2.gz TYPDEEBOYTVPMC-VIFPVBQESA-N 2 0 183.299 0.032 10 0 ACAERP C[C@H](C[NH+]1CCCCC1)NC1C[NH2+]C1 84418149 573876760 /nfs/dbraw/zinc/87/67/60/573876760.db2.gz DALFNTCGTWTKLY-SNVBAGLBSA-N 2 0 197.326 0.422 10 0 ACAERP C[N@@H+]1CCCC[C@@H]1CNC1C[NH2+]C1 84418619 573876981 /nfs/dbraw/zinc/87/69/81/573876981.db2.gz XOZYKKUBENHJOV-SNVBAGLBSA-N 2 0 183.299 0.032 10 0 ACAERP C[C@H](CC[NH3+])[C@H]([NH3+])c1cc[nH]c1 259218473 573879093 /nfs/dbraw/zinc/87/90/93/573879093.db2.gz GSQBXOIYUQOMOP-APPZFPTMSA-N 2 0 167.256 0.999 10 0 ACAERP Cc1[nH+]c(N)nc(NCC[NH3+])c1C 238552840 573879097 /nfs/dbraw/zinc/87/90/97/573879097.db2.gz SJWYACRWXZBNTH-UHFFFAOYSA-N 2 0 181.243 0.046 10 0 ACAERP C[N@@H+]1CCCC[C@H]1CNC1C[NH2+]C1 84418620 573878856 /nfs/dbraw/zinc/87/88/56/573878856.db2.gz XOZYKKUBENHJOV-JTQLQIEISA-N 2 0 183.299 0.032 10 0 ACAERP C[C@@H](CC[NH3+])[C@H]([NH3+])c1cc[nH]c1 259218475 573878897 /nfs/dbraw/zinc/87/88/97/573878897.db2.gz GSQBXOIYUQOMOP-CBAPKCEASA-N 2 0 167.256 0.999 10 0 ACAERP CC(C)C[C@H](CNC1C[NH2+]C1)[NH+](C)C 84416660 573878925 /nfs/dbraw/zinc/87/89/25/573878925.db2.gz QPDLLTAIKODFFA-LLVKDONJSA-N 2 0 199.342 0.524 10 0 ACAERP C[NH2+][C@@H](Cc1ccco1)CN(C)C 131581219 573879968 /nfs/dbraw/zinc/87/99/68/573879968.db2.gz IUAWVZFNWDXQCC-VIFPVBQESA-N 2 0 182.267 0.972 10 0 ACAERP CC(C)(CC[NH3+])[NH2+]C[C@H]1CCCO1 258981366 573880199 /nfs/dbraw/zinc/88/01/99/573880199.db2.gz OQPUEXJGKPTNLD-SECBINFHSA-N 2 0 186.299 0.882 10 0 ACAERP C[N@@H+]1[C@@H]2CC[C@H]([NH3+])[C@H]1CC2 101788201 573880256 /nfs/dbraw/zinc/88/02/56/573880256.db2.gz DVWWFIRHFFEWAP-GJMOJQLCSA-N 2 0 140.230 0.570 10 0 ACAERP C[N@@H+]1CCC[C@H](CNCC2([NH3+])CC2)C1 259218821 573882880 /nfs/dbraw/zinc/88/28/80/573882880.db2.gz XROADPPAYWONSA-SNVBAGLBSA-N 2 0 197.326 0.409 10 0 ACAERP CC(C)[N@@H+]1CC[C@H](CNC2C[NH2+]C2)C1 84418525 573881293 /nfs/dbraw/zinc/88/12/93/573881293.db2.gz JVICNQFSAFCWHS-SNVBAGLBSA-N 2 0 197.326 0.278 10 0 ACAERP [NH3+]C[C@H]1CCCC[C@H]1C1NCC[NH2+]1 238552909 573881332 /nfs/dbraw/zinc/88/13/32/573881332.db2.gz JMUAHRLVZWKYBW-RKDXNWHRSA-N 2 0 183.299 0.270 10 0 ACAERP [NH3+]C[C@H]1CCCC[C@@H]1C1NCC[NH2+]1 238552594 573881404 /nfs/dbraw/zinc/88/14/04/573881404.db2.gz JMUAHRLVZWKYBW-BDAKNGLRSA-N 2 0 183.299 0.270 10 0 ACAERP C1C[C@H](N2CC[C@@H]3C[NH2+]C[C@H]32)CO1 686255885 573881427 /nfs/dbraw/zinc/88/14/27/573881427.db2.gz UGPJCRUNCPVHCN-KXUCPTDWSA-N 2 0 182.267 0.069 10 0 ACAERP COC[N@H+](C)CC1CC[NH+](C)CC1 259218603 573881577 /nfs/dbraw/zinc/88/15/77/573881577.db2.gz XNOHJTTYIGXDJP-UHFFFAOYSA-N 2 0 186.299 0.864 10 0 ACAERP [NH3+]C[C@@H]1CC[C@@H](CNCC(F)F)O1 147870251 573881835 /nfs/dbraw/zinc/88/18/35/573881835.db2.gz BAVOOMVXHJVYBG-BQBZGAKWSA-N 2 0 194.225 0.347 10 0 ACAERP Cc1ccc2c(c1)CN[C@H](C[NH3+])C2 257892507 573881891 /nfs/dbraw/zinc/88/18/91/573881891.db2.gz NQIYCNONTVMYDY-NSHDSACASA-N 2 0 176.263 0.968 10 0 ACAERP C[C@H](C[NH3+])CC[N@H+](C)[C@H]1CCN(C)C1 258984858 573882078 /nfs/dbraw/zinc/88/20/78/573882078.db2.gz VGGZTJOGIMZDRI-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP CC[NH2+]C[C@]1(O)CCC[NH2+]CC1 257895880 573882128 /nfs/dbraw/zinc/88/21/28/573882128.db2.gz OEPBHIOLJKFCGO-VIFPVBQESA-N 2 0 172.272 0.101 10 0 ACAERP CNC(=[NH2+])N1CCC[C@H]([NH+](C)C)C1 84420463 573882148 /nfs/dbraw/zinc/88/21/48/573882148.db2.gz ANMZKZXSLKECJT-QMMMGPOBSA-N 2 0 184.287 0.167 10 0 ACAERP C[N@@H+]1CC[C@@H](C2CC([NH3+])C2)C1 259219226 573882343 /nfs/dbraw/zinc/88/23/43/573882343.db2.gz LWXHEBBGCLOTBS-AFPNSQJFSA-N 2 0 154.257 0.675 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC(O)C1 84422394 573882418 /nfs/dbraw/zinc/88/24/18/573882418.db2.gz ZXWJPTALPNEODN-NFTFJBJSSA-N 2 0 184.283 0.227 10 0 ACAERP Cc1ccc2c(c1)CN[C@@H](C[NH3+])C2 257892505 573882532 /nfs/dbraw/zinc/88/25/32/573882532.db2.gz NQIYCNONTVMYDY-LLVKDONJSA-N 2 0 176.263 0.968 10 0 ACAERP C[NH+]1C[C@@H]2CC([NH3+])C[C@H]2C1 76574418 573882618 /nfs/dbraw/zinc/88/26/18/573882618.db2.gz NIIZDDZWYKPZAB-BQBZGAKWSA-N 2 0 140.230 0.285 10 0 ACAERP C[NH+](C)CCNc1[nH]cc[nH+]1 84426849 573883183 /nfs/dbraw/zinc/88/31/83/573883183.db2.gz PLPQIXKESWDFAZ-UHFFFAOYSA-N 2 0 154.217 0.383 10 0 ACAERP [NH3+]CC(F)(F)[C@@H]1CC[NH2+]C1 258518890 573882665 /nfs/dbraw/zinc/88/26/65/573882665.db2.gz LZRGUDXHCGBDGZ-RXMQYKEDSA-N 2 0 150.172 0.190 10 0 ACAERP CC(C)[C@@H]1C=C[C@H]([NH3+])[C@@H]2C[NH2+]C[C@@H]21 238178410 573882815 /nfs/dbraw/zinc/88/28/15/573882815.db2.gz GPHDVZHPWUOPBG-ZDCRXTMVSA-N 2 0 180.295 0.991 10 0 ACAERP C[C@H](C(N)=[NH2+])N1CCC[C@H]([NH+](C)C)C1 84419962 573882923 /nfs/dbraw/zinc/88/29/23/573882923.db2.gz XMAZLGIIPSTAKA-BDAKNGLRSA-N 2 0 198.314 0.337 10 0 ACAERP CC[NH2+]C[C@@]1(O)CCC[NH2+]CC1 257895877 573883029 /nfs/dbraw/zinc/88/30/29/573883029.db2.gz OEPBHIOLJKFCGO-SECBINFHSA-N 2 0 172.272 0.101 10 0 ACAERP CCNC(=[NH2+])N1CCC[C@@H]([NH+](C)C)C1 84420443 573883036 /nfs/dbraw/zinc/88/30/36/573883036.db2.gz PBOZLYVGIXYKRA-SECBINFHSA-N 2 0 198.314 0.557 10 0 ACAERP CC(C)[C@@H]1[C@H](N)[C@@H](C[NH3+])C[N@@H+]1C(C)C 238177471 573883099 /nfs/dbraw/zinc/88/30/99/573883099.db2.gz YCGISEQHLZWXSC-HBNTYKKESA-N 2 0 199.342 0.637 10 0 ACAERP C[NH2+]C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 84420862 573883105 /nfs/dbraw/zinc/88/31/05/573883105.db2.gz WXSQKYYUOBCTFA-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP C[N@@H+]1CC[C@@H]2C[C@@H]([NH3+])CC[C@@H]21 76590269 573884766 /nfs/dbraw/zinc/88/47/66/573884766.db2.gz SWOGASBWQBEYHL-VGMNWLOBSA-N 2 0 154.257 0.818 10 0 ACAERP CCN1CC[NH+]=C1NC1CC[NH2+]CC1 258172019 573884773 /nfs/dbraw/zinc/88/47/73/573884773.db2.gz ULBBQNFXKIMRQB-UHFFFAOYSA-N 2 0 196.298 0.020 10 0 ACAERP C[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 84419285 573884789 /nfs/dbraw/zinc/88/47/89/573884789.db2.gz OIDGFMTWHVWRRM-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP [NH3+]CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1 238555097 573884849 /nfs/dbraw/zinc/88/48/49/573884849.db2.gz VMDAILBYWLXENM-NXEZZACHSA-N 2 0 183.299 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573948962 /nfs/dbraw/zinc/94/89/62/573948962.db2.gz KZFPLLFRIOTBGB-MXWKQRLJSA-N 2 0 198.310 0.571 10 0 ACAERP CC[C@]([NH3+])(CO)[C@@H]1CC[N@H+](C)C1 215019354 573948942 /nfs/dbraw/zinc/94/89/42/573948942.db2.gz NXIHYRFPKKXVHO-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@](F)(C[NH3+])C[C@@H]1CC[NH2+]C1 258522755 573949095 /nfs/dbraw/zinc/94/90/95/573949095.db2.gz MKWBULOLIDDEPZ-JGVFFNPUSA-N 2 0 160.236 0.673 10 0 ACAERP C[NH2+]C[C@](C)(F)[C@@H]1CCC[NH2+]C1 257913883 573949162 /nfs/dbraw/zinc/94/91/62/573949162.db2.gz QPUHCTQRKIPZPO-BDAKNGLRSA-N 2 0 174.263 0.934 10 0 ACAERP C[C@H](CC[NH3+])[N@@H+]1CCCC[C@@H]1CO 42432178 573949199 /nfs/dbraw/zinc/94/91/99/573949199.db2.gz PLUWDCWUPPFBBI-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP C[NH2+]C[C@@H]([C@H]1CC[N@H+](C)C1)N(C)C 259025515 573949323 /nfs/dbraw/zinc/94/93/23/573949323.db2.gz JEMHKJYCKNTHDE-UWVGGRQHSA-N 2 0 185.315 0.088 10 0 ACAERP C[NH2+][C@H](CC[NH3+])c1ccncc1 259587235 573949410 /nfs/dbraw/zinc/94/94/10/573949410.db2.gz WLXFOGRZQLOUDG-SECBINFHSA-N 2 0 165.240 0.691 10 0 ACAERP C[C@H](CC(N)=[NH2+])[N@@H+]1CCC[C@@H]1CO 42432937 573949427 /nfs/dbraw/zinc/94/94/27/573949427.db2.gz XTOVITAKSWSQHZ-HTQZYQBOSA-N 2 0 185.271 0.158 10 0 ACAERP C[C@@H](CC(N)=[NH2+])[N@@H+]1CCC[C@@H]1CO 42432936 573949457 /nfs/dbraw/zinc/94/94/57/573949457.db2.gz XTOVITAKSWSQHZ-JGVFFNPUSA-N 2 0 185.271 0.158 10 0 ACAERP C[C@@](O)(CC[NH3+])[C@@H]1CCCCC[NH2+]1 84997223 573949490 /nfs/dbraw/zinc/94/94/90/573949490.db2.gz CSHAYOFTERQAHO-VHSXEESVSA-N 2 0 186.299 0.618 10 0 ACAERP CC[C@H](CC[NH3+])[N@@H+]1CCC[C@@H]1CO 42432750 573949551 /nfs/dbraw/zinc/94/95/51/573949551.db2.gz HASYYQIHGOAEGQ-NXEZZACHSA-N 2 0 186.299 0.571 10 0 ACAERP O[C@]1(C[NH2+]C2CC2)CCC[NH2+]CC1 257914089 573949571 /nfs/dbraw/zinc/94/95/71/573949571.db2.gz QRJSBUZWHWXTIE-SNVBAGLBSA-N 2 0 184.283 0.243 10 0 ACAERP C[C@@](F)(C[NH3+])C[C@H]1CC[NH2+]C1 258522759 573949573 /nfs/dbraw/zinc/94/95/73/573949573.db2.gz MKWBULOLIDDEPZ-SFYZADRCSA-N 2 0 160.236 0.673 10 0 ACAERP CC[C@@H](CC[NH3+])[N@@H+]1CCC[C@@H]1CO 42432749 573949641 /nfs/dbraw/zinc/94/96/41/573949641.db2.gz HASYYQIHGOAEGQ-VHSXEESVSA-N 2 0 186.299 0.571 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H](N)C[NH2+]C2CCC2)C1 258186834 573949661 /nfs/dbraw/zinc/94/96/61/573949661.db2.gz OSWXWXOXKWPFDC-ONGXEEELSA-N 2 0 197.326 0.408 10 0 ACAERP C[NH2+]CC[C@@](C)(O)[C@H]1CCC[NH2+]1 84997840 573949695 /nfs/dbraw/zinc/94/96/95/573949695.db2.gz KZNVORCBPFSGEG-RKDXNWHRSA-N 2 0 172.272 0.099 10 0 ACAERP C[NH2+]CCN1CCC(C[NH+](C)C)CC1 42388583 573949713 /nfs/dbraw/zinc/94/97/13/573949713.db2.gz XQDJJHNSMKOQKC-UHFFFAOYSA-N 2 0 199.342 0.479 10 0 ACAERP C1COC[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 257913931 573949762 /nfs/dbraw/zinc/94/97/62/573949762.db2.gz QQHOVIGXKYKVTP-UWVGGRQHSA-N 2 0 184.283 0.365 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCCC[C@H]1CO 42432113 573949834 /nfs/dbraw/zinc/94/98/34/573949834.db2.gz VQUZZPFFEGIQLF-JTQLQIEISA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]C1(c2cnn([C@@H]3CC[NH2+]C3)c2)CC1 257907777 573949858 /nfs/dbraw/zinc/94/98/58/573949858.db2.gz ZTVCOYLMVQKNKB-SECBINFHSA-N 2 0 192.266 0.365 10 0 ACAERP C[C@H](CC(N)=[NH2+])[N@@H+]1CCCC[C@@H]1CO 42432300 573949870 /nfs/dbraw/zinc/94/98/70/573949870.db2.gz NUNQAVOBQHVCBW-RKDXNWHRSA-N 2 0 199.298 0.548 10 0 ACAERP CC[C@H](CC(N)=[NH2+])[N@@H+]1CCC[C@@H]1CO 42432933 573949962 /nfs/dbraw/zinc/94/99/62/573949962.db2.gz XRZLWWUQSUQQPX-RKDXNWHRSA-N 2 0 199.298 0.548 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@H](N)C[NH2+]C2CCC2)C1 258186831 573949985 /nfs/dbraw/zinc/94/99/85/573949985.db2.gz OSWXWXOXKWPFDC-MWLCHTKSSA-N 2 0 197.326 0.408 10 0 ACAERP [NH3+]C1(c2cnn([C@H]3CC[NH2+]C3)c2)CC1 257907779 573950015 /nfs/dbraw/zinc/95/00/15/573950015.db2.gz ZTVCOYLMVQKNKB-VIFPVBQESA-N 2 0 192.266 0.365 10 0 ACAERP C[C@H](C[NH3+])C[N@@H+]1CCCC[C@@H]1CO 42432120 573950019 /nfs/dbraw/zinc/95/00/19/573950019.db2.gz DSXBFDMIMSKCLS-NXEZZACHSA-N 2 0 186.299 0.428 10 0 ACAERP CC[C@@H](CC(N)=[NH2+])[N@@H+]1CCC[C@@H]1CO 42432932 573950252 /nfs/dbraw/zinc/95/02/52/573950252.db2.gz XRZLWWUQSUQQPX-DTWKUNHWSA-N 2 0 199.298 0.548 10 0 ACAERP C[N@@H+]1CC[C@@H]([C@](C)(F)C[NH3+])C1 258461978 573950385 /nfs/dbraw/zinc/95/03/85/573950385.db2.gz HEECORQAVYUUFP-HTQZYQBOSA-N 2 0 160.236 0.625 10 0 ACAERP C[C@@H](C[N@@H+]1CCCC[C@@H]1CO)C(N)=[NH2+] 42432297 573950391 /nfs/dbraw/zinc/95/03/91/573950391.db2.gz LZCFOOWHDZIHHF-DTWKUNHWSA-N 2 0 199.298 0.405 10 0 ACAERP C[C@H](C[N@@H+]1CCCC[C@@H]1CO)C(N)=[NH2+] 42432298 573950519 /nfs/dbraw/zinc/95/05/19/573950519.db2.gz LZCFOOWHDZIHHF-RKDXNWHRSA-N 2 0 199.298 0.405 10 0 ACAERP [NH3+][C@H]1CCCC[N@@H+]2CCC[C@H]12 258522863 573950574 /nfs/dbraw/zinc/95/05/74/573950574.db2.gz MMTSHRWZGIRYIM-DTWKUNHWSA-N 2 0 154.257 0.962 10 0 ACAERP NC(=[NH2+])CCC[N@@H+]1CCC[C@@H]1CO 42432927 573950588 /nfs/dbraw/zinc/95/05/88/573950588.db2.gz RRPWCQBJGSPPMN-MRVPVSSYSA-N 2 0 185.271 0.159 10 0 ACAERP C[N@@H+]1CC[C@H]([C@](C)(F)C[NH3+])C1 258461981 573950652 /nfs/dbraw/zinc/95/06/52/573950652.db2.gz HEECORQAVYUUFP-JGVFFNPUSA-N 2 0 160.236 0.625 10 0 ACAERP [NH3+][C@H]1CC[C@@H](C[NH+]2CCOCC2)C1 85014239 573950879 /nfs/dbraw/zinc/95/08/79/573950879.db2.gz GKDOJCSFNDFOAJ-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCO)C1 45134693 573950679 /nfs/dbraw/zinc/95/06/79/573950679.db2.gz YGNHGRLPEYDRBP-JTQLQIEISA-N 2 0 186.299 0.299 10 0 ACAERP OC[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 42433521 573950715 /nfs/dbraw/zinc/95/07/15/573950715.db2.gz KWIIOZNYFQXYEB-LLVKDONJSA-N 2 0 198.310 0.585 10 0 ACAERP C[C@@H](C[NH2+]C1CCC1)N1CC[NH2+]CC1 259026586 573950778 /nfs/dbraw/zinc/95/07/78/573950778.db2.gz QBSFRBZJHKPDNV-JTQLQIEISA-N 2 0 197.326 0.422 10 0 ACAERP CC[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014938 573950780 /nfs/dbraw/zinc/95/07/80/573950780.db2.gz KPELOHKANNSETK-YUMQZZPRSA-N 2 0 142.246 0.723 10 0 ACAERP C[NH2+]C[C@H]([C@H]1CC[N@H+](C)C1)N(C)C 259025517 573950940 /nfs/dbraw/zinc/95/09/40/573950940.db2.gz JEMHKJYCKNTHDE-VHSXEESVSA-N 2 0 185.315 0.088 10 0 ACAERP C[C@](F)(C[NH3+])C[C@H]1CC[NH2+]C1 258522753 573950949 /nfs/dbraw/zinc/95/09/49/573950949.db2.gz MKWBULOLIDDEPZ-HTQZYQBOSA-N 2 0 160.236 0.673 10 0 ACAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCOCC2)C1 85014244 573953106 /nfs/dbraw/zinc/95/31/06/573953106.db2.gz GKDOJCSFNDFOAJ-UWVGGRQHSA-N 2 0 184.283 0.446 10 0 ACAERP CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 85014267 573953186 /nfs/dbraw/zinc/95/31/86/573953186.db2.gz FIOFAECDCCTNCZ-MNOVXSKESA-N 2 0 197.326 0.361 10 0 ACAERP [NH3+][C@H]1CC[C@H](C[NH2+]C2CC2)C1 85014887 573952668 /nfs/dbraw/zinc/95/26/68/573952668.db2.gz JFKVOGAUERDLNI-YUMQZZPRSA-N 2 0 154.257 0.866 10 0 ACAERP C[N@H+](CCc1cc[nH]c1)CC1C[NH2+]C1 259027020 573953063 /nfs/dbraw/zinc/95/30/63/573953063.db2.gz ZHZIADVOHGEEPO-UHFFFAOYSA-N 2 0 193.294 0.708 10 0 ACAERP CN1CC[NH+](C[C@H]2CC[C@H]([NH3+])C2)CC1 85014269 573952750 /nfs/dbraw/zinc/95/27/50/573952750.db2.gz FIOFAECDCCTNCZ-QWRGUYRKSA-N 2 0 197.326 0.361 10 0 ACAERP C[NH2+]C[C@H]1CC[C@H]([NH3+])C1 85014925 573952872 /nfs/dbraw/zinc/95/28/72/573952872.db2.gz FMMABWMKDOLEBI-BQBZGAKWSA-N 2 0 128.219 0.333 10 0 ACAERP CN1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 85014275 573952917 /nfs/dbraw/zinc/95/29/17/573952917.db2.gz FIOFAECDCCTNCZ-WDEREUQCSA-N 2 0 197.326 0.361 10 0 ACAERP C[NH+](C)CCN(CC[NH3+])C1CCCC1 42428266 573952946 /nfs/dbraw/zinc/95/29/46/573952946.db2.gz FFQIYLOHNCBGLS-UHFFFAOYSA-N 2 0 199.342 0.751 10 0 ACAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCO)C1 45134692 573953081 /nfs/dbraw/zinc/95/30/81/573953081.db2.gz YGNHGRLPEYDRBP-SNVBAGLBSA-N 2 0 186.299 0.299 10 0 ACAERP CC[N@H+](CCCOC)C[C@H](C)C[NH3+] 42443072 573954069 /nfs/dbraw/zinc/95/40/69/573954069.db2.gz YCOVENUMELJZEP-SNVBAGLBSA-N 2 0 188.315 0.940 10 0 ACAERP CCOCC[N@H+](CC)C[C@H](C)C[NH3+] 42443001 573954228 /nfs/dbraw/zinc/95/42/28/573954228.db2.gz CJMFWRMPNRSRPD-SNVBAGLBSA-N 2 0 188.315 0.940 10 0 ACAERP C[NH+]1CCN([C@H](C[NH3+])C2CCC2)CC1 87584691 573954240 /nfs/dbraw/zinc/95/42/40/573954240.db2.gz QUILSTALTNFAMD-LLVKDONJSA-N 2 0 197.326 0.361 10 0 ACAERP C[NH2+]C[C@]1(OC)CCC[N@H+](C)C1 257910107 573954258 /nfs/dbraw/zinc/95/42/58/573954258.db2.gz QDUODGDCKBWWSD-SECBINFHSA-N 2 0 172.272 0.317 10 0 ACAERP C[NH2+]C[C@@H](F)C[C@H]1CC[NH2+]C1 257909830 573954353 /nfs/dbraw/zinc/95/43/53/573954353.db2.gz AIGOVNXSMDPYPT-SFYZADRCSA-N 2 0 160.236 0.544 10 0 ACAERP CCC[N@H+](CCO)C[C@H](C)C[NH3+] 42452541 573956814 /nfs/dbraw/zinc/95/68/14/573956814.db2.gz BYRHKUHUOWJCSX-SECBINFHSA-N 2 0 174.288 0.286 10 0 ACAERP CCOC1CC([NH2+][C@@H](C)C2C[NH2+]C2)C1 686251490 573957026 /nfs/dbraw/zinc/95/70/26/573957026.db2.gz NANPQTCOUTVOIR-PUSIOWJLSA-N 2 0 198.310 0.751 10 0 ACAERP COC1C[NH+](CCC(C)(C)C(N)=[NH2+])C1 308471805 573957083 /nfs/dbraw/zinc/95/70/83/573957083.db2.gz CAIHRHBZOIOACP-UHFFFAOYSA-N 2 0 199.298 0.669 10 0 ACAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1CO)C1C[NH2+]C1 686251493 573956211 /nfs/dbraw/zinc/95/62/11/573956211.db2.gz NBNMENNBPGYUSM-ATZCPNFKSA-N 2 0 198.310 0.345 10 0 ACAERP CCC[N@H+](CCO)[C@@H]1CCC[C@@H]1[NH3+] 42453178 573956229 /nfs/dbraw/zinc/95/62/29/573956229.db2.gz ZGBYIUCGXXHJRV-VHSXEESVSA-N 2 0 186.299 0.571 10 0 ACAERP C[NH2+]CCC[NH2+][C@@H]1CC1(C)C 45137815 573956234 /nfs/dbraw/zinc/95/62/34/573956234.db2.gz AWDAVADKDLZTSH-MRVPVSSYSA-N 2 0 156.273 0.984 10 0 ACAERP C1C[NH+]=C(NC[C@H]2CCC[NH2+]2)SC1 258188584 573956250 /nfs/dbraw/zinc/95/62/50/573956250.db2.gz VQADAHJTXYKYFW-MRVPVSSYSA-N 2 0 199.323 0.821 10 0 ACAERP CCC[N@H+](CCO)[C@H]1CCC[C@@H]1[NH3+] 42453180 573956278 /nfs/dbraw/zinc/95/62/78/573956278.db2.gz ZGBYIUCGXXHJRV-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP CCC[N@H+](CCO)C[C@@H](C)C(N)=[NH2+] 42452858 573956332 /nfs/dbraw/zinc/95/63/32/573956332.db2.gz XBRYJBQYUKQFHX-MRVPVSSYSA-N 2 0 187.287 0.263 10 0 ACAERP CC[C@@H]([NH3+])CC[N@@H+]1CCCOCC1 127883340 573956362 /nfs/dbraw/zinc/95/63/62/573956362.db2.gz XHXJDZQAFFSMEI-SNVBAGLBSA-N 2 0 186.299 0.836 10 0 ACAERP CCC[N@H+](CCO)CCC[NH2+]C 42453232 573956377 /nfs/dbraw/zinc/95/63/77/573956377.db2.gz 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573965271 /nfs/dbraw/zinc/96/52/71/573965271.db2.gz ZBJBBNIEZJIFHE-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP [NH3+]C/C=C/C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 85054959 573965306 /nfs/dbraw/zinc/96/53/06/573965306.db2.gz DJCRZESYHSQEKG-ATOIVCMTSA-N 2 0 196.294 0.755 10 0 ACAERP C[C@H]1[C@H](C[NH3+])CCN1CCC[NH+](C)C 259252549 573965351 /nfs/dbraw/zinc/96/53/51/573965351.db2.gz FGLQJGMKUAGLCE-QWRGUYRKSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@H]1[C@@H](C[NH3+])CCN1CCC[NH+](C)C 259252556 573965374 /nfs/dbraw/zinc/96/53/74/573965374.db2.gz FGLQJGMKUAGLCE-WDEREUQCSA-N 2 0 199.342 0.607 10 0 ACAERP C[C@@H]([NH3+])[C@@H]([NH3+])C1CCC1 259590408 573974641 /nfs/dbraw/zinc/97/46/41/573974641.db2.gz ZSFRLEOQQPJYCG-IYSWYEEDSA-N 2 0 128.219 0.461 10 0 ACAERP C[C@@H]1CCC[N@@H+]1C/C=C/C[NH3+] 85054844 573966307 /nfs/dbraw/zinc/96/63/07/573966307.db2.gz DZPHPRVIWMBHRC-GKQMSVHHSA-N 2 0 154.257 0.986 10 0 ACAERP C[C@H]1CC[N@H+](C/C=C/C[NH3+])C1 85054852 573966386 /nfs/dbraw/zinc/96/63/86/573966386.db2.gz 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42517488 573966629 /nfs/dbraw/zinc/96/66/29/573966629.db2.gz IULHHVSAPVTTNW-SECBINFHSA-N 2 0 174.288 0.692 10 0 ACAERP C[C@H]1CCC[N@@H+]1C/C=C/C[NH3+] 85054845 573966743 /nfs/dbraw/zinc/96/67/43/573966743.db2.gz DZPHPRVIWMBHRC-HPOULIHZSA-N 2 0 154.257 0.986 10 0 ACAERP COCC[N@H+](CCCC(N)=[NH2+])C1CC1 42518458 573966900 /nfs/dbraw/zinc/96/69/00/573966900.db2.gz MLUUDOXSFXGJEU-UHFFFAOYSA-N 2 0 199.298 0.813 10 0 ACAERP CC[NH+](CC)C[C@@H](O)[C@@H]1CC[NH2+]C1 259253739 573966971 /nfs/dbraw/zinc/96/69/71/573966971.db2.gz LFGXJELRAHCVQV-NXEZZACHSA-N 2 0 186.299 0.299 10 0 ACAERP C[N@@H+]1CCC[C@H](C[C@H]2C[NH2+]CCN2)C1 259253149 573966980 /nfs/dbraw/zinc/96/69/80/573966980.db2.gz PYLSUSBRVWURDO-MNOVXSKESA-N 2 0 197.326 0.280 10 0 ACAERP CC[C@@H]([NH3+])CCN(C)CC[NH+](C)C 127897356 573967147 /nfs/dbraw/zinc/96/71/47/573967147.db2.gz XTIBLCOVKPDOAT-SNVBAGLBSA-N 2 0 187.331 0.607 10 0 ACAERP CN(C)[C@]1(C[NH3+])CC[N@@H+]2CCC[C@@H]21 123225239 573967163 /nfs/dbraw/zinc/96/71/63/573967163.db2.gz USRVDCJYBQWUBP-ZJUUUORDSA-N 2 0 183.299 0.114 10 0 ACAERP C[NH+](C)CCN1CCC[C@@H]([NH3+])C1(C)C 259588298 573967209 /nfs/dbraw/zinc/96/72/09/573967209.db2.gz ZURGXEIOOIITED-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP C[NH2+]C[C@@](C)(O)[C@H]1CCCCC[NH2+]1 85075219 573968596 /nfs/dbraw/zinc/96/85/96/573968596.db2.gz VVDQVNJWWBQPSL-NXEZZACHSA-N 2 0 186.299 0.489 10 0 ACAERP C[C@@H]([NH3+])c1cnc([C@H]2CC[NH2+]C2)o1 258191566 573968319 /nfs/dbraw/zinc/96/83/19/573968319.db2.gz SPPZAIADCRBMOV-RQJHMYQMSA-N 2 0 181.239 0.771 10 0 ACAERP COC[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] 42517495 573968362 /nfs/dbraw/zinc/96/83/62/573968362.db2.gz LGMLKBKMOMLSAT-IUCAKERBSA-N 2 0 174.288 0.548 10 0 ACAERP COC[C@H](C)[N@H+](C)[C@@H](C)CC[NH3+] 42517542 573968389 /nfs/dbraw/zinc/96/83/89/573968389.db2.gz MCZPZDAEJAQPCO-IUCAKERBSA-N 2 0 174.288 0.690 10 0 ACAERP CC[C@@H]1CC[NH2+][C@@H]([C@](C)(O)C[NH3+])C1 85075008 573968475 /nfs/dbraw/zinc/96/84/75/573968475.db2.gz KMBXOVBDQWRVTB-OPRDCNLKSA-N 2 0 186.299 0.474 10 0 ACAERP CC[NH+](CC)C[C@@H](O)[C@H]1CC[NH2+]C1 259253742 573968543 /nfs/dbraw/zinc/96/85/43/573968543.db2.gz LFGXJELRAHCVQV-VHSXEESVSA-N 2 0 186.299 0.299 10 0 ACAERP CC(C)C[N@H+](C[C@@H](O)C[NH3+])C1CC1 42556020 573968787 /nfs/dbraw/zinc/96/87/87/573968787.db2.gz GAVUKVIRRSPTBT-JTQLQIEISA-N 2 0 186.299 0.426 10 0 ACAERP CC(C)(C)NC[C@H]1C[C@H](O)C[NH2+]1 85081123 573969170 /nfs/dbraw/zinc/96/91/70/573969170.db2.gz GNPDTRJNVBELOW-SFYZADRCSA-N 2 0 172.272 0.097 10 0 ACAERP C[C@](O)(C[NH3+])[C@H]1CCCCC[NH2+]1 85074624 573968988 /nfs/dbraw/zinc/96/89/88/573968988.db2.gz GYUMFTCCRSAYJL-BDAKNGLRSA-N 2 0 172.272 0.228 10 0 ACAERP CC[NH+](CC)C[C@H](O)[C@@H]1CC[NH2+]C1 259253744 573969121 /nfs/dbraw/zinc/96/91/21/573969121.db2.gz LFGXJELRAHCVQV-ZJUUUORDSA-N 2 0 186.299 0.299 10 0 ACAERP C[C@@H]1CC[NH2+][C@@H]([C@](C)(O)C[NH3+])C1 85074806 573970161 /nfs/dbraw/zinc/97/01/61/573970161.db2.gz GTQIMDMWUZDELL-IWSPIJDZSA-N 2 0 172.272 0.084 10 0 ACAERP C[NH2+]C[C@](C)(O)[C@H]1CCCC[NH2+]1 85075514 573970406 /nfs/dbraw/zinc/97/04/06/573970406.db2.gz JIHNYEGWGVQCJU-BDAKNGLRSA-N 2 0 172.272 0.099 10 0 ACAERP CC1(C)C[C@@H]1NC[C@@H]1C[C@H](O)C[NH2+]1 85081807 573970429 /nfs/dbraw/zinc/97/04/29/573970429.db2.gz JKXUGTRWKQCULG-CIUDSAMLSA-N 2 0 184.283 0.097 10 0 ACAERP C[N@@H+]1CCC[C@@H](C[C@H]2C[NH2+]CCN2)C1 259253152 573970432 /nfs/dbraw/zinc/97/04/32/573970432.db2.gz PYLSUSBRVWURDO-QWRGUYRKSA-N 2 0 197.326 0.280 10 0 ACAERP CC(C)(C)NC[C@H]1C[C@@H](O)C[NH2+]1 85081129 573970447 /nfs/dbraw/zinc/97/04/47/573970447.db2.gz GNPDTRJNVBELOW-HTQZYQBOSA-N 2 0 172.272 0.097 10 0 ACAERP CN[C@H](C[C@@H](C)[NH3+])[C@H]1CC[N@H+](C)C1 259590039 573970454 /nfs/dbraw/zinc/97/04/54/573970454.db2.gz WPZPAGIPOFVBCN-KXUCPTDWSA-N 2 0 185.315 0.263 10 0 ACAERP C[C@@H]1CC[NH2+][C@H]([C@](C)(O)C[NH3+])C1 85074802 573970473 /nfs/dbraw/zinc/97/04/73/573970473.db2.gz GTQIMDMWUZDELL-HRDYMLBCSA-N 2 0 172.272 0.084 10 0 ACAERP C[C@@H]([NH3+])c1cnc([C@@H]2CC[NH2+]C2)o1 258191564 573970629 /nfs/dbraw/zinc/97/06/29/573970629.db2.gz SPPZAIADCRBMOV-RNFRBKRXSA-N 2 0 181.239 0.771 10 0 ACAERP C[NH2+]C[C@](C)(O)[C@@H]1CCCCC[NH2+]1 85075217 573970804 /nfs/dbraw/zinc/97/08/04/573970804.db2.gz VVDQVNJWWBQPSL-UWVGGRQHSA-N 2 0 186.299 0.489 10 0 ACAERP C[NH2+]C[C@@](C)(O)[C@@H]1CCCCC[NH2+]1 85075215 573970826 /nfs/dbraw/zinc/97/08/26/573970826.db2.gz VVDQVNJWWBQPSL-VHSXEESVSA-N 2 0 186.299 0.489 10 0 ACAERP CC1(C)C[C@@H]1NC[C@H]1C[C@H](O)C[NH2+]1 85081813 573970841 /nfs/dbraw/zinc/97/08/41/573970841.db2.gz JKXUGTRWKQCULG-VGMNWLOBSA-N 2 0 184.283 0.097 10 0 ACAERP CC[N@@H+]1CCCC[C@@H]1CNC(N)=[NH2+] 238228555 573970890 /nfs/dbraw/zinc/97/08/90/573970890.db2.gz YDJWSILJCGOUFB-MRVPVSSYSA-N 2 0 184.287 0.344 10 0 ACAERP C[NH2+]C[C@H](C[NH3+])C1CCOCC1 258193175 573970972 /nfs/dbraw/zinc/97/09/72/573970972.db2.gz PEKFXKWZPWCXJF-VIFPVBQESA-N 2 0 172.272 0.207 10 0 ACAERP CC(C)(C)NC[C@@H]1C[C@@H](O)C[NH2+]1 85081126 573971110 /nfs/dbraw/zinc/97/11/10/573971110.db2.gz GNPDTRJNVBELOW-JGVFFNPUSA-N 2 0 172.272 0.097 10 0 ACAERP C[NH2+]C[C@@](C)(O)[C@@H]1CCCC[NH2+]1 85075510 573971154 /nfs/dbraw/zinc/97/11/54/573971154.db2.gz JIHNYEGWGVQCJU-DTWKUNHWSA-N 2 0 172.272 0.099 10 0 ACAERP CC(C)(C)NC[C@@H]1C[C@H](O)C[NH2+]1 85081121 573971398 /nfs/dbraw/zinc/97/13/98/573971398.db2.gz GNPDTRJNVBELOW-YUMQZZPRSA-N 2 0 172.272 0.097 10 0 ACAERP CC1(C)CN(CC[NH3+])[C@](C)(C[NH3+])C1 238228691 573971464 /nfs/dbraw/zinc/97/14/64/573971464.db2.gz FSORVJHMRYAUMN-JTQLQIEISA-N 2 0 185.315 0.394 10 0 ACAERP C[C@H]([NH3+])c1cnc([C@@H]2CC[NH2+]C2)o1 258191562 573971487 /nfs/dbraw/zinc/97/14/87/573971487.db2.gz SPPZAIADCRBMOV-NKWVEPMBSA-N 2 0 181.239 0.771 10 0 ACAERP CC1(C)CN(CC[NH3+])[C@@](C)(C[NH3+])C1 238228672 573971615 /nfs/dbraw/zinc/97/16/15/573971615.db2.gz FSORVJHMRYAUMN-SNVBAGLBSA-N 2 0 185.315 0.394 10 0 ACAERP CN[C@H](C[C@H](C)[NH3+])[C@H]1CC[N@H+](C)C1 259590040 573971782 /nfs/dbraw/zinc/97/17/82/573971782.db2.gz WPZPAGIPOFVBCN-LPEHRKFASA-N 2 0 185.315 0.263 10 0 ACAERP CN[C@H](C[C@@H](C)[NH3+])[C@@H]1CC[N@H+](C)C1 259590041 573971939 /nfs/dbraw/zinc/97/19/39/573971939.db2.gz WPZPAGIPOFVBCN-OPRDCNLKSA-N 2 0 185.315 0.263 10 0 ACAERP C/C(=C\[NH+](C)C)CC[NH3+] 104398850 573971952 /nfs/dbraw/zinc/97/19/52/573971952.db2.gz KBBBLYPSPGZQAN-VOTSOKGWSA-N 2 0 128.219 0.801 10 0 ACAERP C[C@@H]([NH3+])CC[N@H+](C)[C@H]1CO[C@H](C)C1 715095321 573974700 /nfs/dbraw/zinc/97/47/00/573974700.db2.gz QUGAUBHASUZPKI-OPRDCNLKSA-N 2 0 186.299 0.833 10 0 ACAERP CCCNC(=[NH2+])NC(=[NH2+])N(C)C 238229017 573974054 /nfs/dbraw/zinc/97/40/54/573974054.db2.gz XLCYYBJBWLFHKJ-UHFFFAOYSA-N 2 0 171.248 0.007 10 0 ACAERP C[C@H]1C[C@H]([N@@H+](C)CC[C@@H](C)[NH3+])CO1 715095323 573974060 /nfs/dbraw/zinc/97/40/60/573974060.db2.gz QUGAUBHASUZPKI-UTLUCORTSA-N 2 0 186.299 0.833 10 0 ACAERP CC[N@@H+]1CCC[C@](O)(CC[NH3+])C1 107458217 573973034 /nfs/dbraw/zinc/97/30/34/573973034.db2.gz BELXMQAZGJBUAU-VIFPVBQESA-N 2 0 172.272 0.182 10 0 ACAERP C[C@H]([NH3+])C/C=C/[NH+](C)C 104398583 573973042 /nfs/dbraw/zinc/97/30/42/573973042.db2.gz FLUIBVGRBOARDX-KNIZRNDPSA-N 2 0 128.219 0.799 10 0 ACAERP CC[C@H]([C@@H](C)C[NH3+])[NH+](C)C 259590394 573973157 /nfs/dbraw/zinc/97/31/57/573973157.db2.gz QFSJRZBCSLOSAQ-JGVFFNPUSA-N 2 0 144.262 0.921 10 0 ACAERP C[C@@]([NH3+])(CCC[NH+]1CCCC1)C(N)=O 45375360 573973240 /nfs/dbraw/zinc/97/32/40/573973240.db2.gz ZZPOFJXHEHRZFW-SNVBAGLBSA-N 2 0 199.298 0.065 10 0 ACAERP C[C@@H]([NH3+])C/C=C/[NH+](C)C 104398587 573973553 /nfs/dbraw/zinc/97/35/53/573973553.db2.gz FLUIBVGRBOARDX-PTYLAXBQSA-N 2 0 128.219 0.799 10 0 ACAERP COC(=O)[C@@](C)([NH3+])CCC[NH+](C)C 45380162 573973869 /nfs/dbraw/zinc/97/38/69/573973869.db2.gz OTPURVIPCAEWPV-VIFPVBQESA-N 2 0 188.271 0.219 10 0 ACAERP C[C@@H]([NH3+])[C@H]([NH3+])C1CCC1 259590412 573973894 /nfs/dbraw/zinc/97/38/94/573973894.db2.gz ZSFRLEOQQPJYCG-VDTYLAMSSA-N 2 0 128.219 0.461 10 0 ACAERP C[C@H]([NH3+])[C@@H]([NH3+])C1CCC1 259590403 573974624 /nfs/dbraw/zinc/97/46/24/573974624.db2.gz ZSFRLEOQQPJYCG-CAHLUQPWSA-N 2 0 128.219 0.461 10 0 ACAERP CC[C@H]([C@H](C)C[NH3+])[NH+](C)C 259590392 573974329 /nfs/dbraw/zinc/97/43/29/573974329.db2.gz QFSJRZBCSLOSAQ-HTQZYQBOSA-N 2 0 144.262 0.921 10 0 ACAERP CCC[C@H]([NH+](C)C)C1(C[NH3+])COC1 259588432 573974465 /nfs/dbraw/zinc/97/44/65/573974465.db2.gz QDFUTMYBUUMUGG-VIFPVBQESA-N 2 0 186.299 0.692 10 0 ACAERP C/C(=C\[NH+](C)C)C[C@H]([NH3+])CO 104398899 573974637 /nfs/dbraw/zinc/97/46/37/573974637.db2.gz ITJVPSSWZPWDLV-IVGLGHLBSA-N 2 0 158.245 0.162 10 0 ACAERP C[C@H]([NH3+])[C@H]([NH3+])C1CCC1 259590405 573974568 /nfs/dbraw/zinc/97/45/68/573974568.db2.gz ZSFRLEOQQPJYCG-FSPLSTOPSA-N 2 0 128.219 0.461 10 0 ACAERP CC[N@H+](CCN(C)C)C[C@@H]1C[C@H]1C[NH3+] 715096938 573977496 /nfs/dbraw/zinc/97/74/96/573977496.db2.gz YNZMNMCRNMKBKB-QWRGUYRKSA-N 2 0 199.342 0.465 10 0 ACAERP C[NH+](C)/C=C/CC[NH3+] 104401220 573977261 /nfs/dbraw/zinc/97/72/61/573977261.db2.gz QEOAFGOMVUDLIW-GQCTYLIASA-N 2 0 114.192 0.411 10 0 ACAERP C[NH+](C)CC1(NCC[NH3+])CCC1 393575622 573977644 /nfs/dbraw/zinc/97/76/44/573977644.db2.gz QLUSNSIRRRSZMZ-UHFFFAOYSA-N 2 0 171.288 0.019 10 0 ACAERP CN(CC[NH3+])[C@@H]1CC[N@@H+]2CCC[C@H]12 123287395 573977686 /nfs/dbraw/zinc/97/76/86/573977686.db2.gz LUVOHBFOLNDRNO-NXEZZACHSA-N 2 0 183.299 0.114 10 0 ACAERP CN(C)[C@@H]([C@@H]1CC[N@H+](C)C1)C(C)(C)[NH3+] 259255625 573979487 /nfs/dbraw/zinc/97/94/87/573979487.db2.gz BPLMWIHWORVJMV-ZJUUUORDSA-N 2 0 199.342 0.606 10 0 ACAERP C[NH2+][C@H](C)C(C)(C)N1CC[NH2+]CC1 259255847 573978789 /nfs/dbraw/zinc/97/87/89/573978789.db2.gz NZXUCUURVZTQHU-SECBINFHSA-N 2 0 185.315 0.278 10 0 ACAERP CC[C@@H]([NH3+])CCN1CC[NH2+]CC1 259588817 573978941 /nfs/dbraw/zinc/97/89/41/573978941.db2.gz WNSXLLBIPXLHPE-SECBINFHSA-N 2 0 171.288 0.019 10 0 ACAERP CC[C@H]([NH3+])CCN1CC[NH2+]CC1 259588819 573979063 /nfs/dbraw/zinc/97/90/63/573979063.db2.gz WNSXLLBIPXLHPE-VIFPVBQESA-N 2 0 171.288 0.019 10 0 ACAERP C[C@@H](CC[NH3+])[C@H]([NH3+])C1CCOCC1 259257123 573979069 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/nfs/dbraw/zinc/02/11/30/574021130.db2.gz UMVJRPRPNPRKBJ-RKDXNWHRSA-N 2 0 184.283 0.635 10 0 ACAERP [NH3+]CC[C@@H](F)[C@H]1CC[NH2+]C1 258524278 574021271 /nfs/dbraw/zinc/02/12/71/574021271.db2.gz MRDQQTMHZVDNLU-NKWVEPMBSA-N 2 0 146.209 0.283 10 0 ACAERP C[C@H]([NH3+])CC(=O)[C@@H]1CCC[N@H+](C)C1 259274141 574021077 /nfs/dbraw/zinc/02/10/77/574021077.db2.gz UMVJRPRPNPRKBJ-DTWKUNHWSA-N 2 0 184.283 0.635 10 0 ACAERP CN(C1C[NH2+]C1)[C@H]1CCC[N@H+](C)CC1 85257256 574021154 /nfs/dbraw/zinc/02/11/54/574021154.db2.gz LVXGCXWVNPWBNN-JTQLQIEISA-N 2 0 197.326 0.374 10 0 ACAERP [NH3+]Cc1cc(C[C@@H]2CCC[NH2+]2)n[nH]1 259277207 574023443 /nfs/dbraw/zinc/02/34/43/574023443.db2.gz PKDHFBPMBZMXLV-ZETCQYMHSA-N 2 0 180.255 0.163 10 0 ACAERP CN(c1cc[nH+]cc1)C1C[NH2+]C1 85258481 574023195 /nfs/dbraw/zinc/02/31/95/574023195.db2.gz MPWNESZZOYZOCB-UHFFFAOYSA-N 2 0 163.224 0.490 10 0 ACAERP [NH3+]Cc1cc(C[C@H]2CCC[NH2+]2)n[nH]1 259277201 574023220 /nfs/dbraw/zinc/02/32/20/574023220.db2.gz 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C[C@H](C[NH3+])S[C@H]1CCC[C@@H]1[NH3+] 87736340 574024874 /nfs/dbraw/zinc/02/48/74/574024874.db2.gz JJURHVYCMAFOTJ-CSMHCCOUSA-N 2 0 174.313 0.947 10 0 ACAERP N[C@H]1C[NH2+]CCc2ccccc21 104521528 574024343 /nfs/dbraw/zinc/02/43/43/574024343.db2.gz HHUBTWXIUNJDHO-JTQLQIEISA-N 2 0 162.236 0.832 10 0 ACAERP C[NH+]1CCC([C@@H](O)C2([NH3+])CC2)CC1 259277422 574024421 /nfs/dbraw/zinc/02/44/21/574024421.db2.gz VKNHHSJTPYXBBQ-SECBINFHSA-N 2 0 184.283 0.180 10 0 ACAERP [NH3+]CCS[C@H]1CCC[C@H]1[NH3+] 87736260 574024836 /nfs/dbraw/zinc/02/48/36/574024836.db2.gz FYTAGEDQWSRUKJ-RQJHMYQMSA-N 2 0 160.286 0.558 10 0 ACAERP CC[C@H](C)[NH+]1CC(N2CC[NH2+]CC2)C1 85279779 574027547 /nfs/dbraw/zinc/02/75/47/574027547.db2.gz HOSBRUCTUULZFB-JTQLQIEISA-N 2 0 197.326 0.374 10 0 ACAERP C1CC([NH+]2CC(N3CC[NH2+]CC3)C2)C1 85279789 574027501 /nfs/dbraw/zinc/02/75/01/574027501.db2.gz POKDDRPCXXNYCY-UHFFFAOYSA-N 2 0 195.310 0.128 10 0 ACAERP [NH3+]CCS[C@@H]1CCC[C@H]1[NH3+] 87736258 574025791 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574027324 /nfs/dbraw/zinc/02/73/24/574027324.db2.gz JNGHFKXSCWPSBL-MRVPVSSYSA-N 2 0 142.246 0.853 10 0 ACAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CC1CC1 85284249 574027327 /nfs/dbraw/zinc/02/73/27/574027327.db2.gz AWEPGCPVNZKMHW-FBIMIBRVSA-N 2 0 180.295 0.936 10 0 ACAERP CC[N@@H+]1CCc2[nH+]c(N)[nH]c2C1 85279403 574027370 /nfs/dbraw/zinc/02/73/70/574027370.db2.gz VJXSZYFVDHGMPN-UHFFFAOYSA-N 2 0 166.228 0.370 10 0 ACAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC[NH+](C)C 85286020 574027402 /nfs/dbraw/zinc/02/74/02/574027402.db2.gz FGRRDKMHLPVCKE-GMTAPVOTSA-N 2 0 197.326 0.088 10 0 ACAERP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1CCCO 85289347 574028982 /nfs/dbraw/zinc/02/89/82/574028982.db2.gz QHSJTDXPHAHFMS-VHSXEESVSA-N 2 0 198.310 0.299 10 0 ACAERP C[C@@H](C[NH3+])SC1C[NH2+]C1 85302031 574028989 /nfs/dbraw/zinc/02/89/89/574028989.db2.gz BNQPYWYYBSCOJU-YFKPBYRVSA-N 2 0 146.259 0.039 10 0 ACAERP C[C@H](C[NH3+])SC[C@@H]1CC[NH2+]C1 85301631 574028905 /nfs/dbraw/zinc/02/89/05/574028905.db2.gz 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/nfs/dbraw/zinc/03/00/93/574030093.db2.gz DYOCFVPWHZHOTM-UHFFFAOYSA-N 2 0 196.298 0.472 10 0 ACAERP CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288073 574030097 /nfs/dbraw/zinc/03/00/97/574030097.db2.gz JANWFBSAUNNVPZ-IUCAKERBSA-N 2 0 168.284 0.936 10 0 ACAERP C[C@@H](C[NH3+])SC[C@H]1CCC[NH2+]1 85301825 574030181 /nfs/dbraw/zinc/03/01/81/574030181.db2.gz SFYUMPWCMVPQKV-JGVFFNPUSA-N 2 0 174.313 0.819 10 0 ACAERP CC[C@@H]([C@H](C)N1CC[NH2+]CC1)[NH+](C)C 259281881 574030256 /nfs/dbraw/zinc/03/02/56/574030256.db2.gz VBVDVZVJILQKNE-QWRGUYRKSA-N 2 0 199.342 0.620 10 0 ACAERP C[C@H](C[NH3+])S[C@H]1CCC[NH2+]C1 85301993 574030260 /nfs/dbraw/zinc/03/02/60/574030260.db2.gz XQPHHQGPQXQOKE-SFYZADRCSA-N 2 0 174.313 0.819 10 0 ACAERP C[NH+](C)[C@H](C1CCC1)C1(C[NH3+])COC1 259284455 574030276 /nfs/dbraw/zinc/03/02/76/574030276.db2.gz CNSWLTFAZLEMNZ-SNVBAGLBSA-N 2 0 198.310 0.692 10 0 ACAERP C[NH2+]CCS[C@@H](C)C[NH3+] 85302175 574030283 /nfs/dbraw/zinc/03/02/83/574030283.db2.gz JDYHUDDVBGTZDY-LURJTMIESA-N 2 0 148.275 0.286 10 0 ACAERP C[C@]1([C@H]2CC[NH2+]C2)C[C@H]1[NH3+] 259283780 574030293 /nfs/dbraw/zinc/03/02/93/574030293.db2.gz MKSORHWIGSDUAE-XLPZGREQSA-N 2 0 140.230 0.333 10 0 ACAERP C[C@@H](C[NH3+])SC/C=C/C[NH3+] 85300719 574030353 /nfs/dbraw/zinc/03/03/53/574030353.db2.gz WZVACEJOXZMDCH-AIYRYJHASA-N 2 0 160.286 0.582 10 0 ACAERP C[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289173 574030402 /nfs/dbraw/zinc/03/04/02/574030402.db2.gz JQZXYQQVMWAYES-GUBZILKMSA-N 2 0 198.310 0.297 10 0 ACAERP COCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289285 574030454 /nfs/dbraw/zinc/03/04/54/574030454.db2.gz BWODYQZDNNZJKA-UWVGGRQHSA-N 2 0 198.310 0.563 10 0 ACAERP C[C@H](C[NH3+])SC/C=C/C[NH3+] 85300723 574030449 /nfs/dbraw/zinc/03/04/49/574030449.db2.gz WZVACEJOXZMDCH-TYWZFMJISA-N 2 0 160.286 0.582 10 0 ACAERP C[C@@H](C[NH3+])SC[C@@H]1CCC[NH2+]1 85301817 574030461 /nfs/dbraw/zinc/03/04/61/574030461.db2.gz SFYUMPWCMVPQKV-YUMQZZPRSA-N 2 0 174.313 0.819 10 0 ACAERP C[C@H](C[NH3+])S[C@@H]1CC[NH2+]C1 85302010 574030476 /nfs/dbraw/zinc/03/04/76/574030476.db2.gz YEXWLLCMFVNDCN-RNFRBKRXSA-N 2 0 160.286 0.429 10 0 ACAERP C[C@@H](C[NH3+])S[C@H]1CCC[NH2+]C1 85301989 574030481 /nfs/dbraw/zinc/03/04/81/574030481.db2.gz XQPHHQGPQXQOKE-YUMQZZPRSA-N 2 0 174.313 0.819 10 0 ACAERP COCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 85289277 574030487 /nfs/dbraw/zinc/03/04/87/574030487.db2.gz BWODYQZDNNZJKA-NXEZZACHSA-N 2 0 198.310 0.563 10 0 ACAERP C[NH2+]CCS[C@H](C)C[NH3+] 85302178 574030505 /nfs/dbraw/zinc/03/05/05/574030505.db2.gz JDYHUDDVBGTZDY-ZCFIWIBFSA-N 2 0 148.275 0.286 10 0 ACAERP CC[N@@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288076 574030592 /nfs/dbraw/zinc/03/05/92/574030592.db2.gz JANWFBSAUNNVPZ-BDAKNGLRSA-N 2 0 168.284 0.936 10 0 ACAERP C[C@@H](C[NH3+])SC[C@@H]1C[NH2+]CCO1 85302097 574030636 /nfs/dbraw/zinc/03/06/36/574030636.db2.gz YYHHVHKCAQFEEM-YUMQZZPRSA-N 2 0 190.312 0.055 10 0 ACAERP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCCO 85289341 574030643 /nfs/dbraw/zinc/03/06/43/574030643.db2.gz QHSJTDXPHAHFMS-NXEZZACHSA-N 2 0 198.310 0.299 10 0 ACAERP C[C@H](C[NH3+])SC[C@H]1CC[NH2+]C1 85301637 574030682 /nfs/dbraw/zinc/03/06/82/574030682.db2.gz TWFQQHISMAEWSV-SFYZADRCSA-N 2 0 174.313 0.676 10 0 ACAERP Cc1nccn1CC[NH2+][C@H](C)CO 49330096 574030692 /nfs/dbraw/zinc/03/06/92/574030692.db2.gz NEYFALRPCJKFQB-MRVPVSSYSA-N 2 0 183.255 0.162 10 0 ACAERP C[N@@H+]1CCC[C@H]1c1cc(C[NH3+])no1 259286577 574030712 /nfs/dbraw/zinc/03/07/12/574030712.db2.gz PWOIUBUVKINSKB-QMMMGPOBSA-N 2 0 181.239 0.900 10 0 ACAERP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1CCCO 85289344 574030779 /nfs/dbraw/zinc/03/07/79/574030779.db2.gz QHSJTDXPHAHFMS-ZJUUUORDSA-N 2 0 198.310 0.299 10 0 ACAERP C[N@@H+]1CC[C@H]([C@@H](N)c2ncc[nH]2)C1 259286712 574030827 /nfs/dbraw/zinc/03/08/27/574030827.db2.gz VWXKAKPYZMSXNP-JGVFFNPUSA-N 2 0 180.255 0.361 10 0 ACAERP C[N@@H+]1CCC[C@@H]1c1cc(C[NH3+])no1 259286575 574030913 /nfs/dbraw/zinc/03/09/13/574030913.db2.gz PWOIUBUVKINSKB-MRVPVSSYSA-N 2 0 181.239 0.900 10 0 ACAERP CC[C@@H](C[NH2+]C)[C@@H](C)[NH3+] 259286747 574030924 /nfs/dbraw/zinc/03/09/24/574030924.db2.gz HPHBYOMSGDCLSA-RQJHMYQMSA-N 2 0 130.235 0.579 10 0 ACAERP C[NH2+]CCSC[C@H](C)[NH3+] 85310628 574030940 /nfs/dbraw/zinc/03/09/40/574030940.db2.gz MLGAVZTYZMFSPJ-LURJTMIESA-N 2 0 148.275 0.286 10 0 ACAERP Cc1nccn1CC[NH2+]CCN(C)C 49329973 574030966 /nfs/dbraw/zinc/03/09/66/574030966.db2.gz OBRMZTBZOWIOFT-UHFFFAOYSA-N 2 0 196.298 0.343 10 0 ACAERP C[C@@H]([NH3+])CSC1C[NH2+]C1 85310521 574031116 /nfs/dbraw/zinc/03/11/16/574031116.db2.gz YOKDNYWQKJJIOO-RXMQYKEDSA-N 2 0 146.259 0.039 10 0 ACAERP C[C@H]([NH3+])CSC[C@@H]1CCC[NH2+]1 85310381 574031130 /nfs/dbraw/zinc/03/11/30/574031130.db2.gz SIELPCNKOGYOEQ-YUMQZZPRSA-N 2 0 174.313 0.819 10 0 ACAERP C[C@@H]([NH3+])CSC/C=C/C[NH3+] 85309324 574031171 /nfs/dbraw/zinc/03/11/71/574031171.db2.gz WGVJJWXEGSXINT-TYWZFMJISA-N 2 0 160.286 0.582 10 0 ACAERP C[C@@H]([NH3+])CSCCC[NH3+] 85309321 574031199 /nfs/dbraw/zinc/03/11/99/574031199.db2.gz JFSTYJHFGDGDCQ-ZCFIWIBFSA-N 2 0 148.275 0.416 10 0 ACAERP C[NH+]1CCC(C[C@H]2C[NH2+]CCO2)CC1 259285769 574031219 /nfs/dbraw/zinc/03/12/19/574031219.db2.gz ZITOJOCKRVVAQE-NSHDSACASA-N 2 0 198.310 0.707 10 0 ACAERP C[C@@H]([NH3+])CSCC[NH3+] 85309318 574031249 /nfs/dbraw/zinc/03/12/49/574031249.db2.gz BJILUHMZVCDRFZ-RXMQYKEDSA-N 2 0 134.248 0.026 10 0 ACAERP Cc1nccn1CC[NH2+]CCCO 49330098 574031433 /nfs/dbraw/zinc/03/14/33/574031433.db2.gz WTQMJYXGFYGNRI-UHFFFAOYSA-N 2 0 183.255 0.164 10 0 ACAERP Cc1nccn1CC[NH2+]C(C)(C)CO 49330086 574031280 /nfs/dbraw/zinc/03/12/80/574031280.db2.gz NAMQVGGTQIEAMW-UHFFFAOYSA-N 2 0 197.282 0.552 10 0 ACAERP Cc1nccn1CC[NH2+][C@@H](C)CO 49330095 574031355 /nfs/dbraw/zinc/03/13/55/574031355.db2.gz NEYFALRPCJKFQB-QMMMGPOBSA-N 2 0 183.255 0.162 10 0 ACAERP C[NH2+]CCN(C)CCn1ccnc1C 49330742 574031362 /nfs/dbraw/zinc/03/13/62/574031362.db2.gz SDXZEUBNILTBIG-UHFFFAOYSA-N 2 0 196.298 0.343 10 0 ACAERP C[C@H]([NH3+])CSC[C@H]1CCC[NH2+]1 85310384 574031364 /nfs/dbraw/zinc/03/13/64/574031364.db2.gz SIELPCNKOGYOEQ-JGVFFNPUSA-N 2 0 174.313 0.819 10 0 ACAERP C[C@H]([NH3+])CSC1CC[NH2+]CC1 85310547 574031382 /nfs/dbraw/zinc/03/13/82/574031382.db2.gz UGLXEAXTAXGJNN-ZETCQYMHSA-N 2 0 174.313 0.819 10 0 ACAERP C[C@@H]([NH3+])CSC[C@@H]1CCC[NH2+]1 85310382 574031409 /nfs/dbraw/zinc/03/14/09/574031409.db2.gz SIELPCNKOGYOEQ-SFYZADRCSA-N 2 0 174.313 0.819 10 0 ACAERP C[NH+]1CCC(C[C@@H]2C[NH2+]CCO2)CC1 259285766 574031488 /nfs/dbraw/zinc/03/14/88/574031488.db2.gz ZITOJOCKRVVAQE-LLVKDONJSA-N 2 0 198.310 0.707 10 0 ACAERP CC(C)N1CC[C@H]([NH2+]C[C@H](C)O)C1 128204954 574035007 /nfs/dbraw/zinc/03/50/07/574035007.db2.gz OMKQWHXYGDYZRI-UWVGGRQHSA-N 2 0 186.299 0.440 10 0 ACAERP [NH3+][C@H]1CCCn2c1cnc2CCO 258469777 574035088 /nfs/dbraw/zinc/03/50/88/574035088.db2.gz XTMBYWNKDBGDRM-ZETCQYMHSA-N 2 0 181.239 0.212 10 0 ACAERP C[C@@H](C[NH3+])CS[C@@H]1CC[NH2+]C1 85319774 574035183 /nfs/dbraw/zinc/03/51/83/574035183.db2.gz HYVPLYODDNOBKM-JGVFFNPUSA-N 2 0 174.313 0.676 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC2)C1 87784835 574035198 /nfs/dbraw/zinc/03/51/98/574035198.db2.gz BJKQOVCYUWAQCY-IWSPIJDZSA-N 2 0 170.256 0.245 10 0 ACAERP C[C@H]1C[NH2+]CCC[N@@H+]([C@@H]2CCOC2)C1 87789248 574034957 /nfs/dbraw/zinc/03/49/57/574034957.db2.gz PJMWREFDINGDSD-WDEREUQCSA-N 2 0 198.310 0.707 10 0 ACAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CCCC1 393608892 574035037 /nfs/dbraw/zinc/03/50/37/574035037.db2.gz RLYZVABEIPVHFH-WDEREUQCSA-N 2 0 198.310 0.347 10 0 ACAERP CCC[C@H]([NH3+])C1CCN(CC[NH3+])CC1 259288119 574035395 /nfs/dbraw/zinc/03/53/95/574035395.db2.gz JPBAPWPHPTXJMF-NSHDSACASA-N 2 0 199.342 0.785 10 0 ACAERP CN1CC[NH2+]C[C@H]1[C@H]([NH3+])C1CCC1 259289556 574035461 /nfs/dbraw/zinc/03/54/61/574035461.db2.gz HSWDVUOMLBDTBS-VHSXEESVSA-N 2 0 183.299 0.017 10 0 ACAERP C[NH2+]CCSC[C@@H](C)C[NH3+] 85319798 574035485 /nfs/dbraw/zinc/03/54/85/574035485.db2.gz HETGJDZJFQLSGM-ZETCQYMHSA-N 2 0 162.302 0.534 10 0 ACAERP CC(C)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 128204732 574035488 /nfs/dbraw/zinc/03/54/88/574035488.db2.gz OMKQWHXYGDYZRI-VHSXEESVSA-N 2 0 186.299 0.440 10 0 ACAERP C[NH2+][C@H](C(C)=O)C1CC[NH+](C)CC1 259288883 574035506 /nfs/dbraw/zinc/03/55/06/574035506.db2.gz IOAHYHRIMJVTIJ-SNVBAGLBSA-N 2 0 184.283 0.505 10 0 ACAERP CN1CC[NH2+]C[C@H]1[C@@H]([NH3+])C1CCC1 259289553 574035533 /nfs/dbraw/zinc/03/55/33/574035533.db2.gz HSWDVUOMLBDTBS-UWVGGRQHSA-N 2 0 183.299 0.017 10 0 ACAERP C[NH2+]CCSC[C@H](C)C[NH3+] 85319799 574036307 /nfs/dbraw/zinc/03/63/07/574036307.db2.gz HETGJDZJFQLSGM-SSDOTTSWSA-N 2 0 162.302 0.534 10 0 ACAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]CC1CCCC1 393608886 574035614 /nfs/dbraw/zinc/03/56/14/574035614.db2.gz RLYZVABEIPVHFH-GHMZBOCLSA-N 2 0 198.310 0.347 10 0 ACAERP C[C@@H]1C[NH2+]CCC[N@@H+]([C@@H]2CCOC2)C1 87789245 574035630 /nfs/dbraw/zinc/03/56/30/574035630.db2.gz PJMWREFDINGDSD-GHMZBOCLSA-N 2 0 198.310 0.707 10 0 ACAERP [NH3+]C1C2(CC2)C[NH2+]CC12CC2 258469060 574035632 /nfs/dbraw/zinc/03/56/32/574035632.db2.gz IBPVXYOTANQBKI-UHFFFAOYSA-N 2 0 152.241 0.477 10 0 ACAERP C[C@@H](C[NH3+])CS[C@H]1CC[NH2+]C1 85319776 574035662 /nfs/dbraw/zinc/03/56/62/574035662.db2.gz HYVPLYODDNOBKM-YUMQZZPRSA-N 2 0 174.313 0.676 10 0 ACAERP CCC[C@@H]([NH3+])C1CCN(CC[NH3+])CC1 259288114 574035748 /nfs/dbraw/zinc/03/57/48/574035748.db2.gz JPBAPWPHPTXJMF-LLVKDONJSA-N 2 0 199.342 0.785 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 87784812 574036313 /nfs/dbraw/zinc/03/63/13/574036313.db2.gz ADTAMIRWIBJSIW-IVZWLZJFSA-N 2 0 184.283 0.492 10 0 ACAERP C[C@H](C[NH3+])CSCCC[NH3+] 85319684 574035825 /nfs/dbraw/zinc/03/58/25/574035825.db2.gz VAYUSVVBYRBICI-SSDOTTSWSA-N 2 0 162.302 0.663 10 0 ACAERP CC[N@@H+]1CCn2cnc(CC[NH3+])c2C1 258469999 574035828 /nfs/dbraw/zinc/03/58/28/574035828.db2.gz AGZBLEJREGKEPM-UHFFFAOYSA-N 2 0 194.282 0.220 10 0 ACAERP C[C@H]1CC[N@@H+]([C@@H]2CCOC2)CCC[NH2+]1 87789233 574035897 /nfs/dbraw/zinc/03/58/97/574035897.db2.gz KSZUZWGJLSNJPM-WDEREUQCSA-N 2 0 198.310 0.849 10 0 ACAERP CN1CC[NH2+]C[C@@H]1[C@@H]([NH3+])C1CCC1 259289557 574035909 /nfs/dbraw/zinc/03/59/09/574035909.db2.gz HSWDVUOMLBDTBS-ZJUUUORDSA-N 2 0 183.299 0.017 10 0 ACAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]CC1CCCC1 393608890 574035955 /nfs/dbraw/zinc/03/59/55/574035955.db2.gz RLYZVABEIPVHFH-QWRGUYRKSA-N 2 0 198.310 0.347 10 0 ACAERP C1C[NH2+]CCC[NH+]([C@H]2CCOC2)C1 87789260 574035960 /nfs/dbraw/zinc/03/59/60/574035960.db2.gz TVDUCRGOBNCVBH-JTQLQIEISA-N 2 0 184.283 0.461 10 0 ACAERP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCOC2)CC1 87784975 574035982 /nfs/dbraw/zinc/03/59/82/574035982.db2.gz XWISNMLKZHHXTO-WDEREUQCSA-N 2 0 198.310 0.849 10 0 ACAERP C[C@@H](C[NH3+])CSCC[NH3+] 85319681 574036018 /nfs/dbraw/zinc/03/60/18/574036018.db2.gz NVSBZWBLRFGKLM-LURJTMIESA-N 2 0 148.275 0.273 10 0 ACAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 87784815 574036109 /nfs/dbraw/zinc/03/61/09/574036109.db2.gz ADTAMIRWIBJSIW-AEJSXWLSSA-N 2 0 184.283 0.492 10 0 ACAERP C1C[NH2+]CCC[NH+]([C@@H]2CCOC2)C1 87789258 574036204 /nfs/dbraw/zinc/03/62/04/574036204.db2.gz TVDUCRGOBNCVBH-SNVBAGLBSA-N 2 0 184.283 0.461 10 0 ACAERP CN1CC[NH2+]C[C@@H]1[C@H]([NH3+])C1CCC1 259289552 574036260 /nfs/dbraw/zinc/03/62/60/574036260.db2.gz HSWDVUOMLBDTBS-NXEZZACHSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)CCC[NH2+]1 87789231 574036283 /nfs/dbraw/zinc/03/62/83/574036283.db2.gz KSZUZWGJLSNJPM-GHMZBOCLSA-N 2 0 198.310 0.849 10 0 ACAERP [NH3+][C@@H]1CC[C@H]([NH2+][C@@H]2CCOC2)C1 87784833 574036325 /nfs/dbraw/zinc/03/63/25/574036325.db2.gz BJKQOVCYUWAQCY-HRDYMLBCSA-N 2 0 170.256 0.245 10 0 ACAERP C[NH2+][C@@H](CC(C)C)[C@H](C)[NH3+] 259292471 574037267 /nfs/dbraw/zinc/03/72/67/574037267.db2.gz HUHONHDHKWNFPO-YUMQZZPRSA-N 2 0 144.262 0.968 10 0 ACAERP [NH3+]Cc1cc([C@@H]2CCCC[NH2+]2)on1 259290566 574037293 /nfs/dbraw/zinc/03/72/93/574037293.db2.gz QCRZCZCEDNHBCY-QMMMGPOBSA-N 2 0 181.239 0.948 10 0 ACAERP CN[C@H]([C@@H]1CC[N@H+](C)C1)C(C)(C)[NH3+] 259292580 574037301 /nfs/dbraw/zinc/03/73/01/574037301.db2.gz HUWQVPLSDWDHCR-RKDXNWHRSA-N 2 0 185.315 0.263 10 0 ACAERP CN[C@H]([C@H]1CC[N@H+](C)C1)C(C)(C)[NH3+] 259292572 574037372 /nfs/dbraw/zinc/03/73/72/574037372.db2.gz HUWQVPLSDWDHCR-DTWKUNHWSA-N 2 0 185.315 0.263 10 0 ACAERP C[N@@H+]1CC[C@H](c2cc(C[NH3+])[nH]n2)C1 259290838 574037581 /nfs/dbraw/zinc/03/75/81/574037581.db2.gz QEMDWASZBWRCRR-ZETCQYMHSA-N 2 0 180.255 0.288 10 0 ACAERP C[C@H](CC[NH3+])SC1C[NH2+]C1 85341628 574037655 /nfs/dbraw/zinc/03/76/55/574037655.db2.gz ACIDDPWTRWBLHY-ZCFIWIBFSA-N 2 0 160.286 0.429 10 0 ACAERP CN[C@@H]([C@H]1CC[N@H+](C)C1)C(C)(C)[NH3+] 259292575 574037679 /nfs/dbraw/zinc/03/76/79/574037679.db2.gz HUWQVPLSDWDHCR-IUCAKERBSA-N 2 0 185.315 0.263 10 0 ACAERP C[NH2+][C@@H](C1CCOCC1)C(C)(C)[NH3+] 259292455 574037704 /nfs/dbraw/zinc/03/77/04/574037704.db2.gz HUGONKKNAHWCIA-VIFPVBQESA-N 2 0 186.299 0.738 10 0 ACAERP C[C@H](CC[NH3+])S[C@H]1CC[NH2+]C1 85341624 574037758 /nfs/dbraw/zinc/03/77/58/574037758.db2.gz CLQDIYBHUFLAEQ-SFYZADRCSA-N 2 0 174.313 0.819 10 0 ACAERP C[NH2+][C@@H](CC(C)C)[C@@H](C)[NH3+] 259292468 574037774 /nfs/dbraw/zinc/03/77/74/574037774.db2.gz HUHONHDHKWNFPO-SFYZADRCSA-N 2 0 144.262 0.968 10 0 ACAERP C[NH2+]CCS[C@@H](C)CC[NH3+] 85341666 574037797 /nfs/dbraw/zinc/03/77/97/574037797.db2.gz FQRDOPIPORWNLZ-ZETCQYMHSA-N 2 0 162.302 0.676 10 0 ACAERP C[N@@H+]1CCC[C@@H](C(=O)C2C[NH2+]C2)C1 259292510 574037832 /nfs/dbraw/zinc/03/78/32/574037832.db2.gz VUZPRGHPNXLORU-MRVPVSSYSA-N 2 0 182.267 0.117 10 0 ACAERP C1CC1[C@@H]1C[C@@H]1[NH2+]C[C@]12C[NH2+]C[C@H]1C2 716976655 574038196 /nfs/dbraw/zinc/03/81/96/574038196.db2.gz KRSZWFOCSGOLCP-RHYQMDGZSA-N 2 0 192.306 0.984 10 0 ACAERP C[NH2+]CCS[C@H](C)CC[NH3+] 85341669 574037990 /nfs/dbraw/zinc/03/79/90/574037990.db2.gz FQRDOPIPORWNLZ-SSDOTTSWSA-N 2 0 162.302 0.676 10 0 ACAERP C[C@@H](CC[NH3+])SCC[NH3+] 85341493 574038032 /nfs/dbraw/zinc/03/80/32/574038032.db2.gz WEENQNZVARIFGG-LURJTMIESA-N 2 0 148.275 0.416 10 0 ACAERP C[C@@H](CC[NH3+])S[C@@H]1CC[NH2+]C1 85341619 574038146 /nfs/dbraw/zinc/03/81/46/574038146.db2.gz CLQDIYBHUFLAEQ-JGVFFNPUSA-N 2 0 174.313 0.819 10 0 ACAERP CC[C@@H]([NH3+])CS[C@@H]1CC[NH2+]C1 85346921 574040096 /nfs/dbraw/zinc/04/00/96/574040096.db2.gz UVWRVJYHTQYJHH-HTQZYQBOSA-N 2 0 174.313 0.819 10 0 ACAERP CC[C@@H]([NH3+])CSCC[NH3+] 85346829 574040112 /nfs/dbraw/zinc/04/01/12/574040112.db2.gz IALJQVDRRJBNPJ-ZCFIWIBFSA-N 2 0 148.275 0.416 10 0 ACAERP CC[C@H]([NH3+])CS[C@H]1CC[NH2+]C1 85346922 574040142 /nfs/dbraw/zinc/04/01/42/574040142.db2.gz UVWRVJYHTQYJHH-YUMQZZPRSA-N 2 0 174.313 0.819 10 0 ACAERP CC[C@H]([NH3+])CS[C@@H]1CC[NH2+]C1 85346920 574040228 /nfs/dbraw/zinc/04/02/28/574040228.db2.gz UVWRVJYHTQYJHH-JGVFFNPUSA-N 2 0 174.313 0.819 10 0 ACAERP C[NH+]1CCN[C@H]([C@@H]2CCC[N@@H+](C)C2)C1 259296313 574041080 /nfs/dbraw/zinc/04/10/80/574041080.db2.gz QFQFHVWDXSZBAY-MNOVXSKESA-N 2 0 197.326 0.232 10 0 ACAERP CC[C@H]([NH3+])CSCCC[NH3+] 85346831 574040278 /nfs/dbraw/zinc/04/02/78/574040278.db2.gz RGAOVHSBAZQEIT-ZETCQYMHSA-N 2 0 162.302 0.806 10 0 ACAERP CC(C)([NH3+])C[C@H]([NH3+])C1CCOCC1 259294037 574040293 /nfs/dbraw/zinc/04/02/93/574040293.db2.gz JURIMUWOKPRVOZ-VIFPVBQESA-N 2 0 186.299 0.868 10 0 ACAERP CC[C@H]([NH3+])CSC1C[NH2+]C1 85346924 574040455 /nfs/dbraw/zinc/04/04/55/574040455.db2.gz OROAKKMLCSWMJA-LURJTMIESA-N 2 0 160.286 0.429 10 0 ACAERP C[NH+]1CCN[C@H]([C@H]2CCC[N@@H+](C)C2)C1 259296318 574040910 /nfs/dbraw/zinc/04/09/10/574040910.db2.gz QFQFHVWDXSZBAY-QWRGUYRKSA-N 2 0 197.326 0.232 10 0 ACAERP C[NH2+][C@@H](c1ccccc1)[C@H](O)C[NH3+] 259296262 574040986 /nfs/dbraw/zinc/04/09/86/574040986.db2.gz IWKVLSFRCDYBPK-ZJUUUORDSA-N 2 0 180.251 0.267 10 0 ACAERP C[NH2+][C@H](c1ccccc1)[C@H](O)C[NH3+] 259296246 574042638 /nfs/dbraw/zinc/04/26/38/574042638.db2.gz IWKVLSFRCDYBPK-NXEZZACHSA-N 2 0 180.251 0.267 10 0 ACAERP C[NH+]1CCN[C@@H]([C@@H]2CCC[N@@H+](C)C2)C1 259296308 574042324 /nfs/dbraw/zinc/04/23/24/574042324.db2.gz QFQFHVWDXSZBAY-GHMZBOCLSA-N 2 0 197.326 0.232 10 0 ACAERP C[NH+]1CCN[C@@H]([C@H]2CCC[N@@H+](C)C2)C1 259296323 574042373 /nfs/dbraw/zinc/04/23/73/574042373.db2.gz QFQFHVWDXSZBAY-WDEREUQCSA-N 2 0 197.326 0.232 10 0 ACAERP CC(C)([NH3+])CS[C@H]1CC[NH2+]C1 85349559 574042593 /nfs/dbraw/zinc/04/25/93/574042593.db2.gz AHOYAQUIFIXOBW-ZETCQYMHSA-N 2 0 174.313 0.819 10 0 ACAERP CC(C)([NH3+])CS[C@@H]1CC[NH2+]C1 85349558 574043194 /nfs/dbraw/zinc/04/31/94/574043194.db2.gz AHOYAQUIFIXOBW-SSDOTTSWSA-N 2 0 174.313 0.819 10 0 ACAERP C[NH2+][C@H](c1ccccc1)[C@@H](O)C[NH3+] 259296258 574042779 /nfs/dbraw/zinc/04/27/79/574042779.db2.gz IWKVLSFRCDYBPK-VHSXEESVSA-N 2 0 180.251 0.267 10 0 ACAERP CC(C)([NH3+])CSCCC[NH3+] 85349526 574042798 /nfs/dbraw/zinc/04/27/98/574042798.db2.gz RPJTUGBDBBLATR-UHFFFAOYSA-N 2 0 162.302 0.806 10 0 ACAERP C[C@@H]1C[NH2+][C@H]1[C@@H]1CC[N@H+](C)C1 259300248 574046986 /nfs/dbraw/zinc/04/69/86/574046986.db2.gz SJFRDRQMRKMRFB-IWSPIJDZSA-N 2 0 154.257 0.546 10 0 ACAERP CC[C@](C)([NH3+])C(C)(C)[NH3+] 113107812 574045764 /nfs/dbraw/zinc/04/57/64/574045764.db2.gz TZGKDELLIKEUGH-ZETCQYMHSA-N 2 0 130.235 0.851 10 0 ACAERP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[NH2+]CC[C@@H](O)C[NH3+] 717001983 574045783 /nfs/dbraw/zinc/04/57/83/574045783.db2.gz HLMOEFFZYIOTLX-UVOCVTCTSA-N 2 0 198.310 0.330 10 0 ACAERP CC[C@@](C)([NH3+])C(C)(C)[NH3+] 113107809 574046059 /nfs/dbraw/zinc/04/60/59/574046059.db2.gz TZGKDELLIKEUGH-SSDOTTSWSA-N 2 0 130.235 0.851 10 0 ACAERP C[N@@H+]1CCC[C@H](C(=O)[C@@H]2CCC[NH2+]2)C1 259300576 574046812 /nfs/dbraw/zinc/04/68/12/574046812.db2.gz WFBGBTYBBMRMHY-UWVGGRQHSA-N 2 0 196.294 0.649 10 0 ACAERP C[N@H+](C[C@H](O)CC[NH3+])C1CCC1 259299818 574046314 /nfs/dbraw/zinc/04/63/14/574046314.db2.gz UFWYMGJVISJLQH-SECBINFHSA-N 2 0 172.272 0.180 10 0 ACAERP C[C@@H]1C[NH2+][C@@H]1[C@H]1CC[N@H+](C)C1 259300253 574046833 /nfs/dbraw/zinc/04/68/33/574046833.db2.gz SJFRDRQMRKMRFB-VGMNWLOBSA-N 2 0 154.257 0.546 10 0 ACAERP C[N@H+](C[C@@H](O)CC[NH3+])C1CCC1 259299821 574046633 /nfs/dbraw/zinc/04/66/33/574046633.db2.gz UFWYMGJVISJLQH-VIFPVBQESA-N 2 0 172.272 0.180 10 0 ACAERP CN(CC[NH+](C)C)[C@@H]1C[NH2+]C(C)(C)C1 131824670 574046682 /nfs/dbraw/zinc/04/66/82/574046682.db2.gz ROCFRKHGBZOIFW-JTQLQIEISA-N 2 0 199.342 0.620 10 0 ACAERP [NH3+]CC12CC(CN1C[C@H]1CCC[NH2+]1)C2 903463975 582624936 /nfs/dbraw/zinc/62/49/36/582624936.db2.gz VFXCPKXETAUUCX-HSOILSAZSA-N 2 0 195.310 0.162 10 0 ACAERP CC1(C)CN(CC2(C[NH3+])CC2)C[C@H]1[NH3+] 903986570 582630497 /nfs/dbraw/zinc/63/04/97/582630497.db2.gz MHTZUMMKOAAXDY-SECBINFHSA-N 2 0 197.326 0.394 10 0 ACAERP CC(C)C[NH+]1CCN(CCC[NH3+])CC1 19933685 486713011 /nfs/dbraw/zinc/71/30/11/486713011.db2.gz GOYODDGQSSLDKU-UHFFFAOYSA-N 2 0 199.342 0.609 10 0 ACAERP C[N@H+](CCC[NH3+])C[C@H]1CCCO1 19834721 486713031 /nfs/dbraw/zinc/71/30/31/486713031.db2.gz JEMVOJUUCOMJQI-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP [NH3+]CCCN1CC[NH+](CC2CC2)CC1 19933687 486713225 /nfs/dbraw/zinc/71/32/25/486713225.db2.gz YKEAIHLJSFEQQU-UHFFFAOYSA-N 2 0 197.326 0.363 10 0 ACAERP C[N@H+](CCC[NH3+])C[C@@H]1CCCO1 19834720 486713263 /nfs/dbraw/zinc/71/32/63/486713263.db2.gz JEMVOJUUCOMJQI-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CCOCC[N@H+](C)CCC[NH3+] 35358868 486716190 /nfs/dbraw/zinc/71/61/90/486716190.db2.gz APMZEKAMFQRRLT-UHFFFAOYSA-N 2 0 160.261 0.304 10 0 ACAERP [NH3+]CCC[N@@H+]1C[C@@H]2C[C@H]1CS2 39291724 486722675 /nfs/dbraw/zinc/72/26/75/486722675.db2.gz FMLGOLCTSJYOMJ-YUMQZZPRSA-N 2 0 172.297 0.525 10 0 ACAERP CC[NH+](CC)CCCNCCC[NH3+] 41620033 486723797 /nfs/dbraw/zinc/72/37/97/486723797.db2.gz BZRFTDQKNOXCHR-UHFFFAOYSA-N 2 0 187.331 0.657 10 0 ACAERP C[NH2+]CCC[N@H+](C)C1CCOCC1 42409641 486725114 /nfs/dbraw/zinc/72/51/14/486725114.db2.gz ZOEJAMOPPVVLHO-UHFFFAOYSA-N 2 0 186.299 0.707 10 0 ACAERP C[NH2+]CCC[NH2+]CC1CC1 43618951 486726329 /nfs/dbraw/zinc/72/63/29/486726329.db2.gz CMJQDDGIRIITAO-UHFFFAOYSA-N 2 0 142.246 0.596 10 0 ACAERP C[NH2+]CCC[N@H+](C)[C@@H](C)COC 42519299 486727218 /nfs/dbraw/zinc/72/72/18/486727218.db2.gz BTQDMLAPNHIQGU-VIFPVBQESA-N 2 0 174.288 0.563 10 0 ACAERP C[NH2+]CCC[N@H+](C)[C@H](C)COC 42519300 486727469 /nfs/dbraw/zinc/72/74/69/486727469.db2.gz BTQDMLAPNHIQGU-SECBINFHSA-N 2 0 174.288 0.563 10 0 ACAERP COC[C@H](C)[NH2+]CCCC[NH+](C)C 53197355 486748688 /nfs/dbraw/zinc/74/86/88/486748688.db2.gz NZNIJFTWPMVHFA-JTQLQIEISA-N 2 0 188.315 0.953 10 0 ACAERP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 51889628 486742400 /nfs/dbraw/zinc/74/24/00/486742400.db2.gz KYJZEKZJQHTCDV-QWRGUYRKSA-N 2 0 198.310 0.707 10 0 ACAERP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[NH2+]C1 51889626 486743043 /nfs/dbraw/zinc/74/30/43/486743043.db2.gz KYJZEKZJQHTCDV-MNOVXSKESA-N 2 0 198.310 0.707 10 0 ACAERP COC[C@@H](C)[NH2+]CCCC[NH+](C)C 53197357 486748566 /nfs/dbraw/zinc/74/85/66/486748566.db2.gz NZNIJFTWPMVHFA-SNVBAGLBSA-N 2 0 188.315 0.953 10 0 ACAERP CN(CC[NH3+])CC[C@@H]1CCCC[N@@H+]1C 54418790 486756487 /nfs/dbraw/zinc/75/64/87/486756487.db2.gz VGONFICXSAQBEN-NSHDSACASA-N 2 0 199.342 0.751 10 0 ACAERP CN(CC[NH3+])CC[C@H]1CCCC[N@@H+]1C 54418788 486756697 /nfs/dbraw/zinc/75/66/97/486756697.db2.gz VGONFICXSAQBEN-LLVKDONJSA-N 2 0 199.342 0.751 10 0 ACAERP CN(CC[NH3+])[C@@H]1CC[N@@H+](C2CC2)C1 61991770 486764032 /nfs/dbraw/zinc/76/40/32/486764032.db2.gz UQUPJCFUZGQBFO-SNVBAGLBSA-N 2 0 183.299 0.114 10 0 ACAERP CN(CC[NH3+])[C@H]1CC[N@@H+](C2CC2)C1 61991771 486764359 /nfs/dbraw/zinc/76/43/59/486764359.db2.gz UQUPJCFUZGQBFO-JTQLQIEISA-N 2 0 183.299 0.114 10 0 ACAERP CC(C)C[NH2+]C[C@@H]1CC[NH2+]C1 62117056 486766670 /nfs/dbraw/zinc/76/66/70/486766670.db2.gz RLYCEXUFNXOPLE-SECBINFHSA-N 2 0 156.273 0.842 10 0 ACAERP C[NH+](C)CCC[NH2+][C@@H]1CCCOC1 70011523 486779760 /nfs/dbraw/zinc/77/97/60/486779760.db2.gz XDKPDSPQLMOISP-SNVBAGLBSA-N 2 0 186.299 0.707 10 0 ACAERP C[NH+](C)CCC[NH2+][C@H]1CCCOC1 70011529 486779831 /nfs/dbraw/zinc/77/98/31/486779831.db2.gz XDKPDSPQLMOISP-JTQLQIEISA-N 2 0 186.299 0.707 10 0 ACAERP CN(C[C@H]1CC[N@H+](C)C1)CC(C)(C)[NH3+] 70823392 486793315 /nfs/dbraw/zinc/79/33/15/486793315.db2.gz SJMGXABQJRXMCV-JTQLQIEISA-N 2 0 199.342 0.607 10 0 ACAERP CN(C[C@@H]1CC[N@H+](C)C1)CC(C)(C)[NH3+] 70823387 486793567 /nfs/dbraw/zinc/79/35/67/486793567.db2.gz SJMGXABQJRXMCV-SNVBAGLBSA-N 2 0 199.342 0.607 10 0 ACAERP COCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 82666856 486823577 /nfs/dbraw/zinc/82/35/77/486823577.db2.gz NGOBTYITOCCEMM-SNVBAGLBSA-N 2 0 186.299 0.707 10 0 ACAERP COCC[N@H+](C)[C@H]1CCC[NH2+]CC1 82666857 486823634 /nfs/dbraw/zinc/82/36/34/486823634.db2.gz NGOBTYITOCCEMM-JTQLQIEISA-N 2 0 186.299 0.707 10 0 ACAERP CC(C)[N@H+](CCC[NH3+])C[C@@H](C)O 83676372 486839836 /nfs/dbraw/zinc/83/98/36/486839836.db2.gz UYLRYPGWKBEVCG-SECBINFHSA-N 2 0 174.288 0.426 10 0 ACAERP CC(C)[N@H+](CCC[NH3+])C[C@H](C)O 83676374 486840156 /nfs/dbraw/zinc/84/01/56/486840156.db2.gz UYLRYPGWKBEVCG-VIFPVBQESA-N 2 0 174.288 0.426 10 0 ACAERP [NH3+]CCCN[C@@H]1CCC[C@H]([NH3+])C1 83824104 486842165 /nfs/dbraw/zinc/84/21/65/486842165.db2.gz SCVUCRKZHCNEGZ-DTWKUNHWSA-N 2 0 171.288 0.195 10 0 ACAERP [NH3+]CCCN[C@@H]1CCC[C@@H]([NH3+])C1 83824105 486842177 /nfs/dbraw/zinc/84/21/77/486842177.db2.gz SCVUCRKZHCNEGZ-RKDXNWHRSA-N 2 0 171.288 0.195 10 0 ACAERP [NH3+]CCCN[C@H]1CCC[C@@H]([NH3+])C1 83824107 486842299 /nfs/dbraw/zinc/84/22/99/486842299.db2.gz SCVUCRKZHCNEGZ-BDAKNGLRSA-N 2 0 171.288 0.195 10 0 ACAERP [NH3+]CCCN[C@H]1CCC[C@H]([NH3+])C1 83824106 486842420 /nfs/dbraw/zinc/84/24/20/486842420.db2.gz SCVUCRKZHCNEGZ-IUCAKERBSA-N 2 0 171.288 0.195 10 0 ACAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO1 84217934 486855707 /nfs/dbraw/zinc/85/57/07/486855707.db2.gz WNEZNJDWPCHEIS-VWYCJHECSA-N 2 0 198.310 0.882 10 0 ACAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCO1 84217929 486855898 /nfs/dbraw/zinc/85/58/98/486855898.db2.gz WNEZNJDWPCHEIS-OUAUKWLOSA-N 2 0 198.310 0.882 10 0 ACAERP O[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85283482 486867652 /nfs/dbraw/zinc/86/76/52/486867652.db2.gz 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0 186.299 0.692 10 0 ACAERP COCCCN1C[C@H](C)[C@H]([NH3+])C1 300048249 487142412 /nfs/dbraw/zinc/14/24/12/487142412.db2.gz IOCVOLSFSWGZPK-DTWKUNHWSA-N 2 0 172.272 0.302 10 0 ACAERP CC(C)OCCN1C[C@H](C)[C@H]([NH3+])C1 300048199 487142472 /nfs/dbraw/zinc/14/24/72/487142472.db2.gz IDZMZVZGRVDPSP-VHSXEESVSA-N 2 0 186.299 0.690 10 0 ACAERP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1[NH3+] 306169217 487149919 /nfs/dbraw/zinc/14/99/19/487149919.db2.gz AHVZNVOFTYSCJR-GMTAPVOTSA-N 2 0 197.326 0.265 10 0 ACAERP C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1[NH3+] 306169219 487150293 /nfs/dbraw/zinc/15/02/93/487150293.db2.gz AHVZNVOFTYSCJR-OUAUKWLOSA-N 2 0 197.326 0.265 10 0 ACAERP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1[NH3+] 306169218 487150441 /nfs/dbraw/zinc/15/04/41/487150441.db2.gz AHVZNVOFTYSCJR-MXWKQRLJSA-N 2 0 197.326 0.265 10 0 ACAERP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1[NH3+] 306169220 487150558 /nfs/dbraw/zinc/15/05/58/487150558.db2.gz AHVZNVOFTYSCJR-VWYCJHECSA-N 2 0 197.326 0.265 10 0 ACAERP CC(C)C[NH2+][C@@H](C)[C@H](C)[NH3+] 306379863 487154942 /nfs/dbraw/zinc/15/49/42/487154942.db2.gz IZADSRLPUKCNAA-YUMQZZPRSA-N 2 0 144.262 0.968 10 0 ACAERP CC(C)C[NH2+][C@@H](C)[C@@H](C)[NH3+] 306379861 487154971 /nfs/dbraw/zinc/15/49/71/487154971.db2.gz IZADSRLPUKCNAA-SFYZADRCSA-N 2 0 144.262 0.968 10 0 ACAERP CC(C)C[NH2+][C@H](C)[C@@H](C)[NH3+] 306379858 487155075 /nfs/dbraw/zinc/15/50/75/487155075.db2.gz IZADSRLPUKCNAA-HTQZYQBOSA-N 2 0 144.262 0.968 10 0 ACAERP CC(C)C[NH2+][C@H](C)[C@H](C)[NH3+] 306379860 487155200 /nfs/dbraw/zinc/15/52/00/487155200.db2.gz IZADSRLPUKCNAA-JGVFFNPUSA-N 2 0 144.262 0.968 10 0 ACAERP C[C@H]([NH3+])CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 306645870 487162837 /nfs/dbraw/zinc/16/28/37/487162837.db2.gz BJHSZRWXXKIVTL-GKDVJIACSA-N 2 0 197.326 0.548 10 0 ACAERP C[C@@H]([NH3+])CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 306645885 487163015 /nfs/dbraw/zinc/16/30/15/487163015.db2.gz BJHSZRWXXKIVTL-NFLHVTIKSA-N 2 0 197.326 0.548 10 0 ACAERP C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1[NH3+] 306916158 487169440 /nfs/dbraw/zinc/16/94/40/487169440.db2.gz WWFCFVPLIRQNRY-MXWKQRLJSA-N 2 0 198.310 0.692 10 0 ACAERP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1[NH3+] 306916160 487169465 /nfs/dbraw/zinc/16/94/65/487169465.db2.gz WWFCFVPLIRQNRY-VWYCJHECSA-N 2 0 198.310 0.692 10 0 ACAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CC[NH2+]C1 306985711 487171512 /nfs/dbraw/zinc/17/15/12/487171512.db2.gz NUECYSYNKAJZGF-UKKRHICBSA-N 2 0 198.310 0.487 10 0 ACAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@@H]1CC[NH2+]C1 306985709 487171580 /nfs/dbraw/zinc/17/15/80/487171580.db2.gz NUECYSYNKAJZGF-LNFKQOIKSA-N 2 0 198.310 0.487 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 307619873 487186738 /nfs/dbraw/zinc/18/67/38/487186738.db2.gz ZOBZFUKGKCFHCE-XSPKLOCKSA-N 2 0 156.273 0.968 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 307619872 487186773 /nfs/dbraw/zinc/18/67/73/487186773.db2.gz ZOBZFUKGKCFHCE-XGEHTFHBSA-N 2 0 156.273 0.968 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 307619870 487186781 /nfs/dbraw/zinc/18/67/81/487186781.db2.gz ZOBZFUKGKCFHCE-JBDRJPRFSA-N 2 0 156.273 0.968 10 0 ACAERP C[C@H]([NH3+])[C@H](C)[NH2+]C[C@H]1C[C@H]1C 307619871 487186940 /nfs/dbraw/zinc/18/69/40/487186940.db2.gz ZOBZFUKGKCFHCE-RYPBNFRJSA-N 2 0 156.273 0.968 10 0 ACAERP CCC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 307696427 487188065 /nfs/dbraw/zinc/18/80/65/487188065.db2.gz DHSRAHDYRWVEIS-IUCAKERBSA-N 2 0 156.273 0.984 10 0 ACAERP CCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 307696426 487188358 /nfs/dbraw/zinc/18/83/58/487188358.db2.gz DHSRAHDYRWVEIS-DTWKUNHWSA-N 2 0 156.273 0.984 10 0 ACAERP CCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 307696425 487188570 /nfs/dbraw/zinc/18/85/70/487188570.db2.gz DHSRAHDYRWVEIS-BDAKNGLRSA-N 2 0 156.273 0.984 10 0 ACAERP CCC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 307696428 487188527 /nfs/dbraw/zinc/18/85/27/487188527.db2.gz DHSRAHDYRWVEIS-RKDXNWHRSA-N 2 0 156.273 0.984 10 0 ACAERP C[C@H](C[NH3+])N(C)CC1(F)CC1 307704992 487188928 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/nfs/dbraw/zinc/33/95/62/487339562.db2.gz VQMMVEOPCFNKDC-SECBINFHSA-N 2 0 174.288 0.468 10 0 ACAERP C[NH2+]CCCNC[C@H]([NH3+])CC(C)C 666808137 487339887 /nfs/dbraw/zinc/33/98/87/487339887.db2.gz WGZPKIYHWVNWCH-SNVBAGLBSA-N 2 0 187.331 0.559 10 0 ACAERP [NH3+]CCCNCC1([NH3+])CCCCCC1 666810232 487339955 /nfs/dbraw/zinc/33/99/55/487339955.db2.gz JTGDRYADVDBRDV-UHFFFAOYSA-N 2 0 199.342 0.977 10 0 ACAERP C[NH2+]CCC[NH2+]C[C@H](C)COC 666808131 487340076 /nfs/dbraw/zinc/34/00/76/487340076.db2.gz VQMMVEOPCFNKDC-VIFPVBQESA-N 2 0 174.288 0.468 10 0 ACAERP C[NH2+]CCCNC[C@@H]([NH3+])CC(C)C 666808136 487340153 /nfs/dbraw/zinc/34/01/53/487340153.db2.gz WGZPKIYHWVNWCH-JTQLQIEISA-N 2 0 187.331 0.559 10 0 ACAERP CC(C)C[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 666814523 487340355 /nfs/dbraw/zinc/34/03/55/487340355.db2.gz IYWVYESABMZDFR-GHMZBOCLSA-N 2 0 199.342 0.701 10 0 ACAERP CC(C)C[C@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 666814527 487340556 /nfs/dbraw/zinc/34/05/56/487340556.db2.gz IYWVYESABMZDFR-WDEREUQCSA-N 2 0 199.342 0.701 10 0 ACAERP CC(C)C[C@H]([NH3+])CN[C@H]1CCC[NH2+]C1 666814525 487340563 /nfs/dbraw/zinc/34/05/63/487340563.db2.gz IYWVYESABMZDFR-QWRGUYRKSA-N 2 0 199.342 0.701 10 0 ACAERP CC(C)C[C@@H]([NH3+])CN[C@H]1CCC[NH2+]C1 666814524 487340479 /nfs/dbraw/zinc/34/04/79/487340479.db2.gz IYWVYESABMZDFR-MNOVXSKESA-N 2 0 199.342 0.701 10 0 ACAERP C[C@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 666848622 487342072 /nfs/dbraw/zinc/34/20/72/487342072.db2.gz QCTGLGJMUIKTTM-MXWKQRLJSA-N 2 0 198.310 0.896 10 0 ACAERP C[C@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 666848620 487342255 /nfs/dbraw/zinc/34/22/55/487342255.db2.gz QCTGLGJMUIKTTM-GMTAPVOTSA-N 2 0 198.310 0.896 10 0 ACAERP C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 666848617 487342449 /nfs/dbraw/zinc/34/24/49/487342449.db2.gz QCTGLGJMUIKTTM-AXFHLTTASA-N 2 0 198.310 0.896 10 0 ACAERP C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 666848621 487342528 /nfs/dbraw/zinc/34/25/28/487342528.db2.gz QCTGLGJMUIKTTM-HBNTYKKESA-N 2 0 198.310 0.896 10 0 ACAERP CC[NH2+][C@H](C)C[NH2+]C[C@H](C)COC 666878514 487345112 /nfs/dbraw/zinc/34/51/12/487345112.db2.gz CKJKCBRJYUECGN-VHSXEESVSA-N 2 0 188.315 0.857 10 0 ACAERP CC[NH2+][C@H](C)C[NH2+]C[C@@H](C)COC 666878513 487345636 /nfs/dbraw/zinc/34/56/36/487345636.db2.gz CKJKCBRJYUECGN-NXEZZACHSA-N 2 0 188.315 0.857 10 0 ACAERP C[C@@H]1CN(CCC[NH3+])C[C@@]1(C)C[NH3+] 666985220 487352112 /nfs/dbraw/zinc/35/21/12/487352112.db2.gz MJKJTHFEYGULNT-NXEZZACHSA-N 2 0 185.315 0.252 10 0 ACAERP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([NH3+])[C@@H]1C 666983166 487352287 /nfs/dbraw/zinc/35/22/87/487352287.db2.gz QXIXNKNEYYZASL-AXFHLTTASA-N 2 0 199.342 0.781 10 0 ACAERP COC[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 666983158 487352714 /nfs/dbraw/zinc/35/27/14/487352714.db2.gz OLMALTAPXVKKHQ-GUBZILKMSA-N 2 0 186.299 0.690 10 0 ACAERP CC(C)C[C@@H]([NH3+])CN(C)CC[NH3+] 667043939 487354295 /nfs/dbraw/zinc/35/42/95/487354295.db2.gz PRVSMOPQNHCGDE-SECBINFHSA-N 2 0 173.304 0.250 10 0 ACAERP C[NH2+]CCCN(C)CC1(C[NH3+])CC1 667054950 487354462 /nfs/dbraw/zinc/35/44/62/487354462.db2.gz SJBFEGGTWHWWKE-UHFFFAOYSA-N 2 0 185.315 0.267 10 0 ACAERP CC(C)C[C@H]([NH3+])CN(C)CC[NH3+] 667043940 487354494 /nfs/dbraw/zinc/35/44/94/487354494.db2.gz PRVSMOPQNHCGDE-VIFPVBQESA-N 2 0 173.304 0.250 10 0 ACAERP C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427259 487372755 /nfs/dbraw/zinc/37/27/55/487372755.db2.gz UCAMFSBEGXUZBT-UKKRHICBSA-N 2 0 198.310 0.440 10 0 ACAERP C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427260 487373001 /nfs/dbraw/zinc/37/30/01/487373001.db2.gz UCAMFSBEGXUZBT-XWLWVQCSSA-N 2 0 198.310 0.440 10 0 ACAERP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427261 487373022 /nfs/dbraw/zinc/37/30/22/487373022.db2.gz UCAMFSBEGXUZBT-ZNSHCXBVSA-N 2 0 198.310 0.440 10 0 ACAERP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1C[C@@](C)(O)C1 669427258 487373063 /nfs/dbraw/zinc/37/30/63/487373063.db2.gz UCAMFSBEGXUZBT-DBIOUOCHSA-N 2 0 198.310 0.440 10 0 ACAERP C[NH+](C)CCN1CCC[C@]12CC[NH2+]C2 757132940 582458936 /nfs/dbraw/zinc/45/89/36/582458936.db2.gz SGFPODUBWOZCGZ-LLVKDONJSA-N 2 0 197.326 0.376 10 0 ACAERP COC[C@@H](C)N1CCC[C@@]12CC[NH2+]C2 757131899 582459103 /nfs/dbraw/zinc/45/91/03/582459103.db2.gz ASNCCMQXRXCUBF-MNOVXSKESA-N 2 0 198.310 0.849 10 0 ACAERP COC[C@@H](C)N1CCC[C@]12CC[NH2+]C2 757131897 582459149 /nfs/dbraw/zinc/45/91/49/582459149.db2.gz ASNCCMQXRXCUBF-GHMZBOCLSA-N 2 0 198.310 0.849 10 0 ACAERP C[NH+](C)CCN1CCC[C@@]12CC[NH2+]C2 757132953 582459228 /nfs/dbraw/zinc/45/92/28/582459228.db2.gz SGFPODUBWOZCGZ-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP COC[C@H](C)N1CCC[C@@]12CC[NH2+]C2 757131901 582459365 /nfs/dbraw/zinc/45/93/65/582459365.db2.gz ASNCCMQXRXCUBF-QWRGUYRKSA-N 2 0 198.310 0.849 10 0 ACAERP C[NH+](C)CCCN1CCCC12C[NH2+]C2 757136175 582459762 /nfs/dbraw/zinc/45/97/62/582459762.db2.gz ZDTCUQXAKCAZEP-UHFFFAOYSA-N 2 0 197.326 0.376 10 0 ACAERP C1C[C@H]2CNC3(CC[NH2+]CC3)O[C@@H]2C1 757138332 582460693 /nfs/dbraw/zinc/46/06/93/582460693.db2.gz BOLSYVFAZWVOJN-VHSXEESVSA-N 2 0 196.294 0.855 10 0 ACAERP C1C[C@@H]2OC3(CC[NH2+]CC3)NC[C@H]2C1 757138335 582460523 /nfs/dbraw/zinc/46/05/23/582460523.db2.gz BOLSYVFAZWVOJN-ZJUUUORDSA-N 2 0 196.294 0.855 10 0 ACAERP C1C[C@@H]2CNC3(CC[NH2+]CC3)O[C@@H]2C1 757138319 582460789 /nfs/dbraw/zinc/46/07/89/582460789.db2.gz BOLSYVFAZWVOJN-NXEZZACHSA-N 2 0 196.294 0.855 10 0 ACAERP C1C[C@H]2CNC3(CC[NH2+]CC3)O[C@H]2C1 757138330 582460823 /nfs/dbraw/zinc/46/08/23/582460823.db2.gz BOLSYVFAZWVOJN-UWVGGRQHSA-N 2 0 196.294 0.855 10 0 ACAERP C1C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 757139252 582461834 /nfs/dbraw/zinc/46/18/34/582461834.db2.gz FGZBKMHLEYFHAD-UHFFFAOYSA-N 2 0 196.294 0.951 10 0 ACAERP C[C@H]1CC[N@H+](CCN2CC[C@@H]2C[NH3+])C1 757140593 582462124 /nfs/dbraw/zinc/46/21/24/582462124.db2.gz CALIUUGUVQMKKZ-WDEREUQCSA-N 2 0 197.326 0.361 10 0 ACAERP C[C@@H]1CC[N@H+](CCN2CC[C@@H]2C[NH3+])C1 757140581 582462292 /nfs/dbraw/zinc/46/22/92/582462292.db2.gz CALIUUGUVQMKKZ-GHMZBOCLSA-N 2 0 197.326 0.361 10 0 ACAERP C[C@H]1CC[N@H+](CCN2CC[C@H]2C[NH3+])C1 757140591 582462386 /nfs/dbraw/zinc/46/23/86/582462386.db2.gz CALIUUGUVQMKKZ-QWRGUYRKSA-N 2 0 197.326 0.361 10 0 ACAERP Cc1cc(N2CC[C@H]2C[NH3+])cc[nH+]1 757141959 582462397 /nfs/dbraw/zinc/46/23/97/582462397.db2.gz FBGLMWZMLLFYBK-JTQLQIEISA-N 2 0 177.251 0.927 10 0 ACAERP C[C@@H]1CC[N@H+](CCN2CC[C@H]2C[NH3+])C1 757140587 582462631 /nfs/dbraw/zinc/46/26/31/582462631.db2.gz CALIUUGUVQMKKZ-MNOVXSKESA-N 2 0 197.326 0.361 10 0 ACAERP Cc1cc(N2CC[C@@H]2C[NH3+])cc[nH+]1 757141985 582463082 /nfs/dbraw/zinc/46/30/82/582463082.db2.gz FBGLMWZMLLFYBK-SNVBAGLBSA-N 2 0 177.251 0.927 10 0 ACAERP C1CC2(C1)[NH2+]CCC1(C[NH2+]C1)O2 757142235 582463083 /nfs/dbraw/zinc/46/30/83/582463083.db2.gz BPLPLHYCFGEZOL-UHFFFAOYSA-N 2 0 168.240 0.219 10 0 ACAERP C1CCC2(C1)[NH2+]CCC1(C[NH2+]C1)O2 757142241 582463196 /nfs/dbraw/zinc/46/31/96/582463196.db2.gz BRNCHFLHBGIFCO-UHFFFAOYSA-N 2 0 182.267 0.609 10 0 ACAERP C[C@H]1CCOC2(CC[NH+](C)CC2)[NH2+]1 757143640 582463603 /nfs/dbraw/zinc/46/36/03/582463603.db2.gz DRMFSWKYHLBZIP-VIFPVBQESA-N 2 0 184.283 0.807 10 0 ACAERP CCC1(CC)[NH2+]CCC2(C[NH2+]C2)O1 757143668 582463736 /nfs/dbraw/zinc/46/37/36/582463736.db2.gz FDEBPZISKUWHQA-UHFFFAOYSA-N 2 0 184.283 0.855 10 0 ACAERP C[C@@H]1CCOC2(CC[NH+](C)CC2)[NH2+]1 757143630 582463759 /nfs/dbraw/zinc/46/37/59/582463759.db2.gz DRMFSWKYHLBZIP-SECBINFHSA-N 2 0 184.283 0.807 10 0 ACAERP Cc1c[nH+]ccc1N1CC[C@H]1C[NH3+] 757143706 582463815 /nfs/dbraw/zinc/46/38/15/582463815.db2.gz HNBBVEYGZNNEGO-VIFPVBQESA-N 2 0 177.251 0.927 10 0 ACAERP C[C@@H]1CC[NH2+]C2(CC[NH+](C)CC2)O1 757144495 582463890 /nfs/dbraw/zinc/46/38/90/582463890.db2.gz OPFKZGUNINMVOH-SECBINFHSA-N 2 0 184.283 0.807 10 0 ACAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCCO2 757143769 582463929 /nfs/dbraw/zinc/46/39/29/582463929.db2.gz YDWLVPXLEVCHHS-SNVBAGLBSA-N 2 0 184.283 0.808 10 0 ACAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCCO2 757143763 582464113 /nfs/dbraw/zinc/46/41/13/582464113.db2.gz YDWLVPXLEVCHHS-JTQLQIEISA-N 2 0 184.283 0.808 10 0 ACAERP Cc1c[nH+]ccc1N1CC[C@@H]1C[NH3+] 757143705 582464172 /nfs/dbraw/zinc/46/41/72/582464172.db2.gz HNBBVEYGZNNEGO-SECBINFHSA-N 2 0 177.251 0.927 10 0 ACAERP C[C@H]1CC[NH2+]C2(CC[NH+](C)CC2)O1 757144509 582464220 /nfs/dbraw/zinc/46/42/20/582464220.db2.gz OPFKZGUNINMVOH-VIFPVBQESA-N 2 0 184.283 0.807 10 0 ACAERP NC(=O)[C@H]1CC[N@@H+]1CCCCCC[NH3+] 757151958 582466555 /nfs/dbraw/zinc/46/65/55/582466555.db2.gz XVDJKBQSSXNIJE-SECBINFHSA-N 2 0 199.298 0.065 10 0 ACAERP NC(=O)[C@@H]1CC[N@@H+]1CCCCCC[NH3+] 757151960 582466885 /nfs/dbraw/zinc/46/68/85/582466885.db2.gz XVDJKBQSSXNIJE-VIFPVBQESA-N 2 0 199.298 0.065 10 0 ACAERP CCn1ccnc1N1CC[C@@H]1C[NH3+] 757151322 582467053 /nfs/dbraw/zinc/46/70/53/582467053.db2.gz XPQQFHVXNYROSS-MRVPVSSYSA-N 2 0 180.255 0.440 10 0 ACAERP [NH3+]C[C@@H]1CCN1c1cc[nH+]cc1 757153005 582467552 /nfs/dbraw/zinc/46/75/52/582467552.db2.gz SGCJKTXOSCRIHA-VIFPVBQESA-N 2 0 163.224 0.619 10 0 ACAERP [NH2+]=C(NO)[C@@H]1CCCC[C@H]1[NH3+] 757164903 582468912 /nfs/dbraw/zinc/46/89/12/582468912.db2.gz FGDMQXSFVUSFNV-PHDIDXHHSA-N 2 0 157.217 0.460 10 0 ACAERP [NH2+]=C(NO)[C@H]1CCCC[C@H]1[NH3+] 757164892 582469002 /nfs/dbraw/zinc/46/90/02/582469002.db2.gz FGDMQXSFVUSFNV-NTSWFWBYSA-N 2 0 157.217 0.460 10 0 ACAERP [NH2+]=C(NO)[C@H]1CCCC[C@@H]1[NH3+] 757164914 582469024 /nfs/dbraw/zinc/46/90/24/582469024.db2.gz FGDMQXSFVUSFNV-WDSKDSINSA-N 2 0 157.217 0.460 10 0 ACAERP [NH2+]=C(NO)[C@@H]1CCCC[C@@H]1[NH3+] 757164907 582469033 /nfs/dbraw/zinc/46/90/33/582469033.db2.gz FGDMQXSFVUSFNV-RITPCOANSA-N 2 0 157.217 0.460 10 0 ACAERP [NH2+]=C(NO)C1CCC([NH3+])CC1 757165698 582469486 /nfs/dbraw/zinc/46/94/86/582469486.db2.gz LJMGRMQYOIQJMF-UHFFFAOYSA-N 2 0 157.217 0.460 10 0 ACAERP [NH2+]=C(NO)[C@H]1CC[C@H]([NH3+])CC1 757165691 582469536 /nfs/dbraw/zinc/46/95/36/582469536.db2.gz LJMGRMQYOIQJMF-IZLXSQMJSA-N 2 0 157.217 0.460 10 0 ACAERP C1CC(CC[C@@H]2COCC[NH2+]2)CC[NH2+]1 757169361 582470351 /nfs/dbraw/zinc/47/03/51/582470351.db2.gz FLTVHYSBFFRHQH-LLVKDONJSA-N 2 0 198.310 0.755 10 0 ACAERP C1CC(CC[C@H]2COCC[NH2+]2)CC[NH2+]1 757169364 582470529 /nfs/dbraw/zinc/47/05/29/582470529.db2.gz FLTVHYSBFFRHQH-NSHDSACASA-N 2 0 198.310 0.755 10 0 ACAERP C1CC2(C[C@@H]3CC[C@H](C2)[NH2+]3)[NH2+]1 757172916 582471531 /nfs/dbraw/zinc/47/15/31/582471531.db2.gz UZWLEUFQJMMSCH-JVHMLUBASA-N 2 0 152.241 0.633 10 0 ACAERP [NH3+]C[C@@H](CO)C1C[C@@H]2CC[C@H](C1)[NH2+]2 757191478 582472052 /nfs/dbraw/zinc/47/20/52/582472052.db2.gz KGWSRUSVVIBJMM-JVSARINNSA-N 2 0 184.283 0.084 10 0 ACAERP [NH3+]C[C@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 757207627 582472252 /nfs/dbraw/zinc/47/22/52/582472252.db2.gz BJBBVZQFDCBAAI-KOLCDFICSA-N 3 0 197.326 0.313 10 0 ACAERP [NH3+]C[C@@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 757207625 582472262 /nfs/dbraw/zinc/47/22/62/582472262.db2.gz BJBBVZQFDCBAAI-GXSJLCMTSA-N 3 0 197.326 0.313 10 0 ACAERP [NH3+]C[C@H]1CCCC12C[NH2+]C2 757195629 582472371 /nfs/dbraw/zinc/47/23/71/582472371.db2.gz MUJUPEJLRMMICS-SSDOTTSWSA-N 2 0 140.230 0.335 10 0 ACAERP [NH3+]C[C@H]1CC[C@H](C2CC[NH2+]CC2)[NH2+]C1 757207637 582472548 /nfs/dbraw/zinc/47/25/48/582472548.db2.gz BJBBVZQFDCBAAI-MWLCHTKSSA-N 3 0 197.326 0.313 10 0 ACAERP [NH3+]CC[C@H]1CCCC12C[NH2+]C2 757194785 582472561 /nfs/dbraw/zinc/47/25/61/582472561.db2.gz FSNNDOXGNUIVLR-MRVPVSSYSA-N 2 0 154.257 0.725 10 0 ACAERP [NH3+]CC[C@@H]1CCCC12C[NH2+]C2 757194786 582472594 /nfs/dbraw/zinc/47/25/94/582472594.db2.gz FSNNDOXGNUIVLR-QMMMGPOBSA-N 2 0 154.257 0.725 10 0 ACAERP [NH3+]C[C@@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 757207656 582472650 /nfs/dbraw/zinc/47/26/50/582472650.db2.gz BJBBVZQFDCBAAI-ONGXEEELSA-N 3 0 197.326 0.313 10 0 ACAERP [NH3+]C[C@@H]1CCCC12C[NH2+]C2 757195630 582472665 /nfs/dbraw/zinc/47/26/65/582472665.db2.gz MUJUPEJLRMMICS-ZETCQYMHSA-N 2 0 140.230 0.335 10 0 ACAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 757218580 582472917 /nfs/dbraw/zinc/47/29/17/582472917.db2.gz UXAJZOXTVULFAT-ONGXEEELSA-N 3 0 197.326 0.170 10 0 ACAERP CC(C)C[C@H]1C[NH2+]C[C@H]([NH3+])C1 757217857 582472983 /nfs/dbraw/zinc/47/29/83/582472983.db2.gz SVCOYVPNILRQQA-RKDXNWHRSA-N 2 0 156.273 0.969 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CN[C@H]1[C@@H]1CCC[NH2+]C1 757220309 582472991 /nfs/dbraw/zinc/47/29/91/582472991.db2.gz YLHVDUMEZPSJMM-CHWFTXMASA-N 2 0 197.326 0.311 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CN[C@@H]1[C@H]1CCC[NH2+]C1 757220310 582472993 /nfs/dbraw/zinc/47/29/93/582472993.db2.gz YLHVDUMEZPSJMM-RCWTZXSCSA-N 2 0 197.326 0.311 10 0 ACAERP CC(C)C[C@@H]1C[NH2+]C[C@H]([NH3+])C1 757217855 582472996 /nfs/dbraw/zinc/47/29/96/582472996.db2.gz SVCOYVPNILRQQA-DTWKUNHWSA-N 2 0 156.273 0.969 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CN[C@H]1[C@H]1CCC[NH2+]C1 757220311 582473000 /nfs/dbraw/zinc/47/30/00/582473000.db2.gz YLHVDUMEZPSJMM-VPOLOUISSA-N 2 0 197.326 0.311 10 0 ACAERP CC(C)C[C@@H]1C[NH2+]C[C@@H]([NH3+])C1 757217856 582473003 /nfs/dbraw/zinc/47/30/03/582473003.db2.gz SVCOYVPNILRQQA-IUCAKERBSA-N 2 0 156.273 0.969 10 0 ACAERP CC[C@H]1C[NH2+]C[C@@H]([NH3+])C1 757219458 582473017 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/nfs/dbraw/zinc/63/07/69/582630769.db2.gz QOIOCHFXKNYXQC-MWLCHTKSSA-N 3 0 197.326 0.184 10 0 ACAERP CC(C)([NH3+])CN1C[C@H]([NH3+])C(C)(C)C1 903986068 582630785 /nfs/dbraw/zinc/63/07/85/582630785.db2.gz FKYZYLOMMOVBGO-QMMMGPOBSA-N 2 0 185.315 0.393 10 0 ACAERP CC1(C)CN(CC2(C[NH3+])CC2)C[C@@H]1[NH3+] 903986571 582630792 /nfs/dbraw/zinc/63/07/92/582630792.db2.gz MHTZUMMKOAAXDY-VIFPVBQESA-N 2 0 197.326 0.394 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CC1(C)CC1 903964734 582630801 /nfs/dbraw/zinc/63/08/01/582630801.db2.gz VBRXBIQGFKLPQI-RKDXNWHRSA-N 2 0 168.284 0.984 10 0 ACAERP CC(C)C[C@H]([NH3+])CN[C@@H]1C[NH2+]C[C@H]1C 903964712 582630803 /nfs/dbraw/zinc/63/08/03/582630803.db2.gz UERWIJKMZXRDRN-OUAUKWLOSA-N 2 0 199.342 0.557 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 903964837 582630817 /nfs/dbraw/zinc/63/08/17/582630817.db2.gz SCFIZYFYGRGKKD-LMLFDSFASA-N 2 0 197.326 0.454 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 903964834 582630837 /nfs/dbraw/zinc/63/08/37/582630837.db2.gz SCFIZYFYGRGKKD-CHWFTXMASA-N 2 0 197.326 0.454 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]CCC[NH3+] 903979058 582630892 /nfs/dbraw/zinc/63/08/92/582630892.db2.gz UJVDENLXOOFDAJ-NXEZZACHSA-N 3 0 185.315 0.170 10 0 ACAERP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 903964260 582630952 /nfs/dbraw/zinc/63/09/52/582630952.db2.gz GVISDLNEXFWVNN-CHWFTXMASA-N 2 0 197.326 0.182 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 903964836 582630988 /nfs/dbraw/zinc/63/09/88/582630988.db2.gz SCFIZYFYGRGKKD-GWOFURMSSA-N 2 0 197.326 0.454 10 0 ACAERP C[C@H]1C[NH2+]C[C@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 903964261 582631046 /nfs/dbraw/zinc/63/10/46/582631046.db2.gz GVISDLNEXFWVNN-GWOFURMSSA-N 2 0 197.326 0.182 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)C1 903964263 582631064 /nfs/dbraw/zinc/63/10/64/582631064.db2.gz GVISDLNEXFWVNN-ZRUFSTJUSA-N 2 0 197.326 0.182 10 0 ACAERP CC(C)([NH3+])CN1C[C@@H]([NH3+])C(C)(C)C1 903986066 582631131 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/nfs/dbraw/zinc/65/14/59/582651459.db2.gz WYGNQNHVUUMQAG-BDAKNGLRSA-N 2 0 194.282 0.197 10 0 ACAERP C[NH2+]CCC[NH2+]C[C@@H]1C[C@@H]1C 163325257 582676938 /nfs/dbraw/zinc/67/69/38/582676938.db2.gz GKGKXXSSIGFRAV-IUCAKERBSA-N 2 0 156.273 0.842 10 0 ACAERP C[NH2+]CCC[NH2+]C[C@H]1C[C@H]1C 163325015 582677013 /nfs/dbraw/zinc/67/70/13/582677013.db2.gz GKGKXXSSIGFRAV-RKDXNWHRSA-N 2 0 156.273 0.842 10 0 ACAERP C[NH2+]CCC[NH2+]C[C@@H]1C[C@H]1C 163325189 582677017 /nfs/dbraw/zinc/67/70/17/582677017.db2.gz GKGKXXSSIGFRAV-BDAKNGLRSA-N 2 0 156.273 0.842 10 0 ACAERP C[NH2+]CCC[NH2+]C[C@H]1C[C@@H]1C 163325096 582677346 /nfs/dbraw/zinc/67/73/46/582677346.db2.gz GKGKXXSSIGFRAV-DTWKUNHWSA-N 2 0 156.273 0.842 10 0 ACAERP CCN(C[C@@H](C)[NH3+])[C@H]1CCC[NH2+]CC1 380136625 582677850 /nfs/dbraw/zinc/67/78/50/582677850.db2.gz USNYJMUKGBMEJZ-MNOVXSKESA-N 2 0 199.342 0.798 10 0 ACAERP CCN(C[C@@H](C)[NH3+])[C@@H]1CCC[NH2+]CC1 380136623 582677853 /nfs/dbraw/zinc/67/78/53/582677853.db2.gz USNYJMUKGBMEJZ-GHMZBOCLSA-N 2 0 199.342 0.798 10 0 ACAERP COCC[N@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306181435 582689798 /nfs/dbraw/zinc/68/97/98/582689798.db2.gz UTROGLDYSNUHDB-IVZWLZJFSA-N 2 0 184.283 0.302 10 0 ACAERP COCC[N@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306181434 582690017 /nfs/dbraw/zinc/69/00/17/582690017.db2.gz UTROGLDYSNUHDB-AEJSXWLSSA-N 2 0 184.283 0.302 10 0 ACAERP COC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306462293 582691171 /nfs/dbraw/zinc/69/11/71/582691171.db2.gz GVRKJNWUNGAPSD-XWLWVQCSSA-N 2 0 198.310 0.690 10 0 ACAERP C[N@@H+]1CC[C@H]([NH3+])C12CCC2 606243622 582703618 /nfs/dbraw/zinc/70/36/18/582703618.db2.gz VVGOLEWLKKWAMK-ZETCQYMHSA-N 2 0 140.230 0.572 10 0 ACAERP CC[N@@H+]1CC[C@@H]([NH3+])C12CCC2 606245357 582703968 /nfs/dbraw/zinc/70/39/68/582703968.db2.gz XEDKOVBTBZZQNI-MRVPVSSYSA-N 2 0 154.257 0.962 10 0 ACAERP CC[N@@H+]1CC[C@H]([NH3+])C12CCC2 606245358 582703984 /nfs/dbraw/zinc/70/39/84/582703984.db2.gz XEDKOVBTBZZQNI-QMMMGPOBSA-N 2 0 154.257 0.962 10 0 ACAERP C[N@@H+]1CC[C@@H]([NH3+])C12CCC2 606243620 582704051 /nfs/dbraw/zinc/70/40/51/582704051.db2.gz VVGOLEWLKKWAMK-SSDOTTSWSA-N 2 0 140.230 0.572 10 0 ACAERP CC(C)[NH2+]CCN1CCC(O)CC1 42409280 582711931 /nfs/dbraw/zinc/71/19/31/582711931.db2.gz FBKAMMVYZADTLI-UHFFFAOYSA-N 2 0 186.299 0.441 10 0 ACAERP CCO[C@@H]1CCCN(CC[NH3+])C1 42420673 582712116 /nfs/dbraw/zinc/71/21/16/582712116.db2.gz PQZUDYUYNZZANJ-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP CC(C)(C)[C@@H]1C[NH2+]C[C@H]1[NH3+] 211372330 582714915 /nfs/dbraw/zinc/71/49/15/582714915.db2.gz FFQVLVBPPHPYQT-RNFRBKRXSA-N 2 0 142.246 0.579 10 0 ACAERP [NH3+][C@@H]1C[NH2+]C[C@H]1C1CCCC1 211381009 582715048 /nfs/dbraw/zinc/71/50/48/582715048.db2.gz RGIGKKNTXUDCDA-DTWKUNHWSA-N 2 0 154.257 0.723 10 0 ACAERP CC(C)[C@H]1C[NH2+]C[C@H]1C[NH3+] 211372957 582715142 /nfs/dbraw/zinc/71/51/42/582715142.db2.gz PACYURUMNSHKFO-HTQZYQBOSA-N 2 0 142.246 0.437 10 0 ACAERP CC(C)[C@@H]1C[NH2+]C[C@@H]1C[NH3+] 211372766 582715271 /nfs/dbraw/zinc/71/52/71/582715271.db2.gz PACYURUMNSHKFO-YUMQZZPRSA-N 2 0 142.246 0.437 10 0 ACAERP CC(C)[C@H]1C[NH2+]C[C@@H]1C[NH3+] 211372856 582715308 /nfs/dbraw/zinc/71/53/08/582715308.db2.gz PACYURUMNSHKFO-JGVFFNPUSA-N 2 0 142.246 0.437 10 0 ACAERP CC(C)(C)[C@H]1C[NH2+]C[C@H]1[NH3+] 211372399 582715369 /nfs/dbraw/zinc/71/53/69/582715369.db2.gz FFQVLVBPPHPYQT-NKWVEPMBSA-N 2 0 142.246 0.579 10 0 ACAERP [NH3+][C@H]1C[NH2+]C[C@@H]1C1CCCC1 211380941 582715408 /nfs/dbraw/zinc/71/54/08/582715408.db2.gz RGIGKKNTXUDCDA-BDAKNGLRSA-N 2 0 154.257 0.723 10 0 ACAERP [NH3+]CC1([C@H]2CCC[NH2+]C2)CC1 211380513 582715453 /nfs/dbraw/zinc/71/54/53/582715453.db2.gz RLWSBCFFBCIWPL-QMMMGPOBSA-N 2 0 154.257 0.725 10 0 ACAERP [NH3+]CC1([C@@H]2CCC[NH2+]C2)CC1 211380587 582715486 /nfs/dbraw/zinc/71/54/86/582715486.db2.gz RLWSBCFFBCIWPL-MRVPVSSYSA-N 2 0 154.257 0.725 10 0 ACAERP CC(C)[C@H]1C[NH2+]C[C@@H]1[NH3+] 211366814 582715494 /nfs/dbraw/zinc/71/54/94/582715494.db2.gz JVKGNIWVFFSIAR-RQJHMYQMSA-N 2 0 128.219 0.189 10 0 ACAERP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C 221880629 582818080 /nfs/dbraw/zinc/81/80/80/582818080.db2.gz NTGKGMGTUDFSNE-MRVPVSSYSA-N 2 0 184.287 0.214 10 0 ACAERP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C 221880569 582818797 /nfs/dbraw/zinc/81/87/97/582818797.db2.gz NTGKGMGTUDFSNE-QMMMGPOBSA-N 2 0 184.287 0.214 10 0 ACAERP [NH3+]C[C@@H]1CCN1c1ccncc1F 757139896 582942692 /nfs/dbraw/zinc/94/26/92/582942692.db2.gz DCIYCACCZLJYJO-ZETCQYMHSA-N 2 0 181.214 0.758 10 0 ACAERP COCCN1CCC[C@]12CC[NH2+]C2 757126654 582942702 /nfs/dbraw/zinc/94/27/02/582942702.db2.gz GGKZOXJNOBKUEB-SNVBAGLBSA-N 2 0 184.283 0.461 10 0 ACAERP C1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 757150760 582944289 /nfs/dbraw/zinc/94/42/89/582944289.db2.gz SDAWWXKFEQDGTP-UHFFFAOYSA-N 2 0 196.294 0.999 10 0 ACAERP [NH3+]C[C@H]1CCN1c1cc[nH+]cc1 757153001 582944709 /nfs/dbraw/zinc/94/47/09/582944709.db2.gz SGCJKTXOSCRIHA-SECBINFHSA-N 2 0 163.224 0.619 10 0 ACAERP C[C@@H](CCCC[NH3+])[N@@H+]1CC[C@@H]1C(N)=O 757157637 582945778 /nfs/dbraw/zinc/94/57/78/582945778.db2.gz NRPMQZVPMFYXGP-DTWKUNHWSA-N 2 0 199.298 0.064 10 0 ACAERP C[C@@H](CCCC[NH3+])[N@@H+]1CC[C@H]1C(N)=O 757157654 582945829 /nfs/dbraw/zinc/94/58/29/582945829.db2.gz NRPMQZVPMFYXGP-IUCAKERBSA-N 2 0 199.298 0.064 10 0 ACAERP C[C@H](CCCC[NH3+])[N@@H+]1CC[C@@H]1C(N)=O 757157671 582946069 /nfs/dbraw/zinc/94/60/69/582946069.db2.gz NRPMQZVPMFYXGP-RKDXNWHRSA-N 2 0 199.298 0.064 10 0 ACAERP [NH3+]C[C@H](CO)C1C[C@@H]2CC[C@H](C1)[NH2+]2 757191465 582950409 /nfs/dbraw/zinc/95/04/09/582950409.db2.gz KGWSRUSVVIBJMM-BDBFLJFWSA-N 2 0 184.283 0.084 10 0 ACAERP C[C@@H]1C[C@H](C2CC[NH2+]CC2)[NH2+]C[C@H]1[NH3+] 757208302 582950617 /nfs/dbraw/zinc/95/06/17/582950617.db2.gz CHEFTAYAADAIBO-FBIMIBRVSA-N 3 0 197.326 0.311 10 0 ACAERP C[N@@H+]1CC[C@@]2(CCO[C@@H]2C[NH3+])C1 757212373 582950625 /nfs/dbraw/zinc/95/06/25/582950625.db2.gz POFWVVPHYDUYCW-RKDXNWHRSA-N 2 0 170.256 0.056 10 0 ACAERP C[C@@H]1C[C@H](C2CCOCC2)[NH2+]C[C@H]1[NH3+] 757208805 582950642 /nfs/dbraw/zinc/95/06/42/582950642.db2.gz DMUMKAWTDFHERF-FBIMIBRVSA-N 2 0 198.310 0.738 10 0 ACAERP [NH3+][C@@H]1CCN[C@@H]([C@@H]2CCC[NH2+]C2)C1 757206683 582950649 /nfs/dbraw/zinc/95/06/49/582950649.db2.gz AHCCQNSJGYRDFJ-OPRDCNLKSA-N 2 0 183.299 0.065 10 0 ACAERP C[C@@H]1CN[C@H]([C@@H]2CCC[NH2+]C2)[C@H]([NH3+])C1 757208257 582950727 /nfs/dbraw/zinc/95/07/27/582950727.db2.gz CGTVJEPCJGUIIW-LNFKQOIKSA-N 2 0 197.326 0.311 10 0 ACAERP C[C@@H]1C[NH2+][C@@H](C2CC[NH2+]CC2)[C@H]([NH3+])C1 757209124 582950731 /nfs/dbraw/zinc/95/07/31/582950731.db2.gz DFZQAWAHRVMRRX-GDPRMGEGSA-N 3 0 197.326 0.311 10 0 ACAERP [NH3+]C[C@H]1OCC[C@]12C[NH+]1CCC2CC1 757207226 582950746 /nfs/dbraw/zinc/95/07/46/582950746.db2.gz BPLHIDNZYSVWEJ-GHMZBOCLSA-N 2 0 196.294 0.446 10 0 ACAERP [NH3+][C@@H]1CCN[C@@H]([C@H]2CCC[NH2+]C2)C1 757206679 582950765 /nfs/dbraw/zinc/95/07/65/582950765.db2.gz AHCCQNSJGYRDFJ-IVZWLZJFSA-N 2 0 183.299 0.065 10 0 ACAERP [NH3+][C@@H]1CCN[C@H]([C@H]2CCC[NH2+]C2)C1 757206665 582950780 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/nfs/dbraw/zinc/95/10/04/582951004.db2.gz POFWVVPHYDUYCW-IUCAKERBSA-N 2 0 170.256 0.056 10 0 ACAERP NC[C@H]1C[C@H](C2CC[NH2+]CC2)CC[NH2+]1 757209202 582951009 /nfs/dbraw/zinc/95/10/09/582951009.db2.gz DLZVBVNXYIRWDV-GHMZBOCLSA-N 2 0 197.326 0.313 10 0 ACAERP CC[C@@H]1C[C@@H](C)[C@@H]([NH3+])C[NH2+]1 757209491 582951047 /nfs/dbraw/zinc/95/10/47/582951047.db2.gz FNFNOKZYXFFKOD-PRJMDXOYSA-N 2 0 142.246 0.722 10 0 ACAERP C[C@@H]1C[C@@H](C2CC[NH2+]CC2)[NH2+]C[C@@H]1[NH3+] 757208305 582951024 /nfs/dbraw/zinc/95/10/24/582951024.db2.gz CHEFTAYAADAIBO-MIMYLULJSA-N 3 0 197.326 0.311 10 0 ACAERP [NH3+]C[C@@H]1OCC[C@@]12C[NH+]1CCC2CC1 757207235 582951032 /nfs/dbraw/zinc/95/10/32/582951032.db2.gz BPLHIDNZYSVWEJ-QWRGUYRKSA-N 2 0 196.294 0.446 10 0 ACAERP [NH3+][C@H]1CC[C@@H](C2CC[NH2+]CC2)[NH2+]C1 757206379 582951053 /nfs/dbraw/zinc/95/10/53/582951053.db2.gz ACWZSUHDJRMKCC-UWVGGRQHSA-N 3 0 183.299 0.065 10 0 ACAERP C[C@@H]1CN[C@H]([C@@H]2CCC[NH2+]C2)[C@@H]([NH3+])C1 757208281 582951068 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/nfs/dbraw/zinc/95/13/58/582951358.db2.gz CGTVJEPCJGUIIW-UKKRHICBSA-N 2 0 197.326 0.311 10 0 ACAERP CC[C@@H]1C[C@H](C)[C@@H]([NH3+])C[NH2+]1 757209492 582951362 /nfs/dbraw/zinc/95/13/62/582951362.db2.gz FNFNOKZYXFFKOD-RNJXMRFFSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+][C@H]1C[NH2+]CC[C@@H]1C1CCOCC1 757208819 582951382 /nfs/dbraw/zinc/95/13/82/582951382.db2.gz DPAXZKTVVGVVEP-ZJUUUORDSA-N 2 0 184.283 0.350 10 0 ACAERP [NH3+]C[C@H]1OCC[C@@]12C[NH+]1CCC2CC1 757207233 582951388 /nfs/dbraw/zinc/95/13/88/582951388.db2.gz BPLHIDNZYSVWEJ-MNOVXSKESA-N 2 0 196.294 0.446 10 0 ACAERP Nc1cccc([C@H]2C[NH2+]CC[C@H]2[NH3+])c1 757212533 582951425 /nfs/dbraw/zinc/95/14/25/582951425.db2.gz ITRJZWCGEHFDFR-GHMZBOCLSA-N 2 0 191.278 0.673 10 0 ACAERP NC[C@@H]1CC[C@@H]([C@H]2CCC[NH2+]C2)C[NH2+]1 757209366 582951447 /nfs/dbraw/zinc/95/14/47/582951447.db2.gz DVZQYWKGGCIIKF-AXFHLTTASA-N 2 0 197.326 0.313 10 0 ACAERP [NH3+][C@@H]1C[NH2+]CC[C@@H]1C1CCOCC1 757208813 582951453 /nfs/dbraw/zinc/95/14/53/582951453.db2.gz DPAXZKTVVGVVEP-NXEZZACHSA-N 2 0 184.283 0.350 10 0 ACAERP [NH3+][C@@H]1C[NH2+]CC[C@H]1C1CCOCC1 757208817 582951482 /nfs/dbraw/zinc/95/14/82/582951482.db2.gz DPAXZKTVVGVVEP-VHSXEESVSA-N 2 0 184.283 0.350 10 0 ACAERP [NH3+]C[C@H]1CCC[NH2+][C@@H]1C1CCOCC1 757213773 582951617 /nfs/dbraw/zinc/95/16/17/582951617.db2.gz QZBCEMZJDYUICK-GHMZBOCLSA-N 2 0 198.310 0.740 10 0 ACAERP [NH3+][C@@H]1CC[NH2+]C[C@H]1C1CCOCC1 757213906 582951629 /nfs/dbraw/zinc/95/16/29/582951629.db2.gz RUJTVDDTBXDYBN-VHSXEESVSA-N 2 0 184.283 0.350 10 0 ACAERP [NH3+]C[C@@H]1CC[NH2+][C@@H](C2CCOCC2)C1 757214399 582951654 /nfs/dbraw/zinc/95/16/54/582951654.db2.gz SJSRIEUNBREVTL-MWLCHTKSSA-N 2 0 198.310 0.740 10 0 ACAERP [NH3+][C@@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 757212958 582951656 /nfs/dbraw/zinc/95/16/56/582951656.db2.gz KOZGLADJJQOHEX-NXEZZACHSA-N 3 0 183.299 0.065 10 0 ACAERP [NH3+]C[C@@H]1CCC[NH2+][C@H]1C1CCOCC1 757213778 582951666 /nfs/dbraw/zinc/95/16/66/582951666.db2.gz QZBCEMZJDYUICK-QWRGUYRKSA-N 2 0 198.310 0.740 10 0 ACAERP [NH3+]C[C@H]1CC[NH2+][C@@H](C2CCOCC2)C1 757214397 582951700 /nfs/dbraw/zinc/95/17/00/582951700.db2.gz SJSRIEUNBREVTL-GXSJLCMTSA-N 2 0 198.310 0.740 10 0 ACAERP CC[C@@H]1[NH2+]CC[C@H](C)[C@H]1[NH3+] 757215248 582951816 /nfs/dbraw/zinc/95/18/16/582951816.db2.gz NKYMVQDWZQCOMU-BIIVOSGPSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+][C@@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 757212970 582951876 /nfs/dbraw/zinc/95/18/76/582951876.db2.gz KOZGLADJJQOHEX-ZJUUUORDSA-N 3 0 183.299 0.065 10 0 ACAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](C)[NH2+]1 757212834 582951882 /nfs/dbraw/zinc/95/18/82/582951882.db2.gz JVYBVUDLLOQXKJ-RNJXMRFFSA-N 2 0 142.246 0.864 10 0 ACAERP [NH3+]C[C@@H]1CC[NH2+][C@@H]([C@@H]2CCC[NH2+]C2)C1 757213655 582951925 /nfs/dbraw/zinc/95/19/25/582951925.db2.gz LILGATISADVIMX-GMTAPVOTSA-N 3 0 197.326 0.313 10 0 ACAERP CC[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@H]1C 757213678 582951938 /nfs/dbraw/zinc/95/19/38/582951938.db2.gz LNBZOCQCXFGJIJ-CSMHCCOUSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@@H]2CCC[NH2+]C2)C1 757213656 582951967 /nfs/dbraw/zinc/95/19/67/582951967.db2.gz LILGATISADVIMX-MXWKQRLJSA-N 3 0 197.326 0.313 10 0 ACAERP CC[C@@H]1CC[C@H]([NH3+])[C@@H](C)[NH2+]1 757212829 582952006 /nfs/dbraw/zinc/95/20/06/582952006.db2.gz JVYBVUDLLOQXKJ-PRJMDXOYSA-N 2 0 142.246 0.864 10 0 ACAERP [NH3+][C@@H]1CC[NH2+]C[C@@H]1C1CCOCC1 757213902 582952020 /nfs/dbraw/zinc/95/20/20/582952020.db2.gz RUJTVDDTBXDYBN-NXEZZACHSA-N 2 0 184.283 0.350 10 0 ACAERP [NH3+]C[C@@H]1CC[NH2+][C@H]([C@H]2CCC[NH2+]C2)C1 757213659 582952056 /nfs/dbraw/zinc/95/20/56/582952056.db2.gz LILGATISADVIMX-VWYCJHECSA-N 3 0 197.326 0.313 10 0 ACAERP Nc1cccc([C@@H]2C[NH2+]CC[C@H]2[NH3+])c1 757212550 582952100 /nfs/dbraw/zinc/95/21/00/582952100.db2.gz ITRJZWCGEHFDFR-WDEREUQCSA-N 2 0 191.278 0.673 10 0 ACAERP [NH3+][C@H]1CCC[NH2+][C@@H]1C1CC[NH2+]CC1 757212964 582952110 /nfs/dbraw/zinc/95/21/10/582952110.db2.gz KOZGLADJJQOHEX-VHSXEESVSA-N 3 0 183.299 0.065 10 0 ACAERP [NH3+]C[C@H]1CC[NH2+][C@H](C2CCOCC2)C1 757214400 582952130 /nfs/dbraw/zinc/95/21/30/582952130.db2.gz SJSRIEUNBREVTL-ONGXEEELSA-N 2 0 198.310 0.740 10 0 ACAERP [NH3+]C[C@H]1CCC[NH2+][C@H]1C1CCOCC1 757213776 582952132 /nfs/dbraw/zinc/95/21/32/582952132.db2.gz QZBCEMZJDYUICK-MNOVXSKESA-N 2 0 198.310 0.740 10 0 ACAERP CC[C@@H]1CC[C@@H]([NH3+])[C@@H](C)[NH2+]1 757212828 582952168 /nfs/dbraw/zinc/95/21/68/582952168.db2.gz JVYBVUDLLOQXKJ-BWZBUEFSSA-N 2 0 142.246 0.864 10 0 ACAERP [NH3+]C[C@@H]1CCC[NH2+][C@@H]1C1CCOCC1 757213783 582952200 /nfs/dbraw/zinc/95/22/00/582952200.db2.gz QZBCEMZJDYUICK-WDEREUQCSA-N 2 0 198.310 0.740 10 0 ACAERP [NH3+]C[C@@H]1CC[NH2+][C@H](C2CCOCC2)C1 757214398 582952214 /nfs/dbraw/zinc/95/22/14/582952214.db2.gz SJSRIEUNBREVTL-KOLCDFICSA-N 2 0 198.310 0.740 10 0 ACAERP CC[NH+]1CCC2(CCO[C@@H]2C[NH3+])CC1 757212765 582952222 /nfs/dbraw/zinc/95/22/22/582952222.db2.gz RCRDYIYSXVNTGP-SNVBAGLBSA-N 2 0 198.310 0.836 10 0 ACAERP CC[C@@H]1[NH2+]C[C@H]([NH3+])C[C@H]1C 757213681 582952224 /nfs/dbraw/zinc/95/22/24/582952224.db2.gz LNBZOCQCXFGJIJ-PRJMDXOYSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+][C@H]1CCC[NH2+][C@H]1C1CC[NH2+]CC1 757212960 582952241 /nfs/dbraw/zinc/95/22/41/582952241.db2.gz KOZGLADJJQOHEX-UWVGGRQHSA-N 3 0 183.299 0.065 10 0 ACAERP C[N@@H+]1CC[C@@]2(CCO[C@H]2C[NH3+])C1 757212370 582952244 /nfs/dbraw/zinc/95/22/44/582952244.db2.gz POFWVVPHYDUYCW-DTWKUNHWSA-N 2 0 170.256 0.056 10 0 ACAERP [NH3+]C[C@@H]1CC[NH2+][C@@H]([C@H]2CCC[NH2+]C2)C1 757213657 582952285 /nfs/dbraw/zinc/95/22/85/582952285.db2.gz LILGATISADVIMX-OUAUKWLOSA-N 3 0 197.326 0.313 10 0 ACAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](C)[NH2+]1 757212836 582952293 /nfs/dbraw/zinc/95/22/93/582952293.db2.gz JVYBVUDLLOQXKJ-XLPZGREQSA-N 2 0 142.246 0.864 10 0 ACAERP CC[C@@H]1[NH2+]C[C@H]([NH3+])C[C@@H]1C 757213683 582952306 /nfs/dbraw/zinc/95/23/06/582952306.db2.gz LNBZOCQCXFGJIJ-RNJXMRFFSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+][C@H]1CC[NH2+]C[C@H]1C1CCOCC1 757213904 582952381 /nfs/dbraw/zinc/95/23/81/582952381.db2.gz RUJTVDDTBXDYBN-UWVGGRQHSA-N 2 0 184.283 0.350 10 0 ACAERP CC[NH+]1CCC2(CCO[C@H]2C[NH3+])CC1 757212764 582952388 /nfs/dbraw/zinc/95/23/88/582952388.db2.gz RCRDYIYSXVNTGP-JTQLQIEISA-N 2 0 198.310 0.836 10 0 ACAERP Nc1cccc([C@@H]2C[NH2+]CC[C@@H]2[NH3+])c1 757212545 582952415 /nfs/dbraw/zinc/95/24/15/582952415.db2.gz ITRJZWCGEHFDFR-QWRGUYRKSA-N 2 0 191.278 0.673 10 0 ACAERP [NH3+][C@H]1CC[NH2+]C[C@@H]1C1CCOCC1 757213908 582952449 /nfs/dbraw/zinc/95/24/49/582952449.db2.gz RUJTVDDTBXDYBN-ZJUUUORDSA-N 2 0 184.283 0.350 10 0 ACAERP CC[C@@H]1[NH2+]C[C@@H]([NH3+])C[C@@H]1C 757213680 582952467 /nfs/dbraw/zinc/95/24/67/582952467.db2.gz LNBZOCQCXFGJIJ-FXQIFTODSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([C@H]2CCC[NH2+]C2)NC1 757216546 582952608 /nfs/dbraw/zinc/95/26/08/582952608.db2.gz QHDAWWYMOOIYRN-AEJSXWLSSA-N 2 0 183.299 0.065 10 0 ACAERP CC[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] 757215259 582952733 /nfs/dbraw/zinc/95/27/33/582952733.db2.gz NKYMVQDWZQCOMU-GJMOJQLCSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCC[NH2+]C2)C1 757216488 582952749 /nfs/dbraw/zinc/95/27/49/582952749.db2.gz PUGOQJSAUVOFKM-MXWKQRLJSA-N 3 0 197.326 0.170 10 0 ACAERP [NH3+]C[C@@H]1C[NH2+]C[C@H]([C@H]2CCC[NH2+]C2)C1 757216489 582952761 /nfs/dbraw/zinc/95/27/61/582952761.db2.gz PUGOQJSAUVOFKM-OUAUKWLOSA-N 3 0 197.326 0.170 10 0 ACAERP CC[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 757215842 582952769 /nfs/dbraw/zinc/95/27/69/582952769.db2.gz OEIMFLWDHQJYDI-YUMQZZPRSA-N 2 0 142.246 0.581 10 0 ACAERP NC[C@@H]1C[C@H]([C@@H]2CCC[NH2+]C2)CC[NH2+]1 757216641 582952876 /nfs/dbraw/zinc/95/28/76/582952876.db2.gz QJLHYPRTZBAKJP-MXWKQRLJSA-N 2 0 197.326 0.313 10 0 ACAERP C[C@H]1C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[NH3+] 757216057 582952891 /nfs/dbraw/zinc/95/28/91/582952891.db2.gz OVDXUGRFSFMOOT-UYXSQOIJSA-N 2 0 156.273 0.968 10 0 ACAERP [NH3+][C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)NC1 757216549 582952920 /nfs/dbraw/zinc/95/29/20/582952920.db2.gz QHDAWWYMOOIYRN-IVZWLZJFSA-N 2 0 183.299 0.065 10 0 ACAERP [NH3+]C[C@@H]1C[NH2+]C[C@H](c2cncnc2)C1 757215915 582952926 /nfs/dbraw/zinc/95/29/26/582952926.db2.gz OLQXUMWBUKQUBN-RKDXNWHRSA-N 2 0 192.266 0.128 10 0 ACAERP CC[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 757215837 582952934 /nfs/dbraw/zinc/95/29/34/582952934.db2.gz OEIMFLWDHQJYDI-JGVFFNPUSA-N 2 0 142.246 0.581 10 0 ACAERP [NH3+]C[C@@H]1C[NH2+]C[C@@H](c2cncnc2)C1 757215909 582952939 /nfs/dbraw/zinc/95/29/39/582952939.db2.gz OLQXUMWBUKQUBN-BDAKNGLRSA-N 2 0 192.266 0.128 10 0 ACAERP C[C@H]1C[C@@H](C)[NH2+][C@@H](C)[C@H]1C[NH3+] 757216050 582952959 /nfs/dbraw/zinc/95/29/59/582952959.db2.gz OVDXUGRFSFMOOT-KZVJFYERSA-N 2 0 156.273 0.968 10 0 ACAERP CC[C@@H]1[NH2+]C[C@H](C)C[C@H]1[NH3+] 757215938 582952975 /nfs/dbraw/zinc/95/29/75/582952975.db2.gz OLTAYSWRTDKMCI-PRJMDXOYSA-N 2 0 142.246 0.722 10 0 ACAERP C[C@@H]1[NH2+][C@@H](C2CCOCC2)CC[C@@H]1[NH3+] 757215715 582952998 /nfs/dbraw/zinc/95/29/98/582952998.db2.gz XCZUMRDNXZZZNY-INTQDDNPSA-N 2 0 198.310 0.881 10 0 ACAERP C[C@@H]1CC[C@H]([NH3+])[C@@H](C2CCOCC2)[NH2+]1 757215555 582953009 /nfs/dbraw/zinc/95/30/09/582953009.db2.gz WEGZTEAZEMGEOR-DVVUODLYSA-N 2 0 198.310 0.881 10 0 ACAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](C2CCOCC2)[NH2+]1 757215557 582953014 /nfs/dbraw/zinc/95/30/14/582953014.db2.gz WEGZTEAZEMGEOR-FBIMIBRVSA-N 2 0 198.310 0.881 10 0 ACAERP C[C@H]1C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[NH3+] 757216048 582953030 /nfs/dbraw/zinc/95/30/30/582953030.db2.gz OVDXUGRFSFMOOT-JQCXWYLXSA-N 2 0 156.273 0.968 10 0 ACAERP C[C@@H]1CC[C@H]([NH3+])[C@H](C2CCOCC2)[NH2+]1 757215566 582953041 /nfs/dbraw/zinc/95/30/41/582953041.db2.gz WEGZTEAZEMGEOR-MIMYLULJSA-N 2 0 198.310 0.881 10 0 ACAERP NC[C@@H]1C[C@H]([C@H]2CCC[NH2+]C2)CC[NH2+]1 757216646 582953140 /nfs/dbraw/zinc/95/31/40/582953140.db2.gz QJLHYPRTZBAKJP-VWYCJHECSA-N 2 0 197.326 0.313 10 0 ACAERP [NH3+][C@@H]1CC[C@H](C2CCOCC2)[NH2+]C1 757216308 582953144 /nfs/dbraw/zinc/95/31/44/582953144.db2.gz ZMGWPIBMWCZPAH-NXEZZACHSA-N 2 0 184.283 0.492 10 0 ACAERP NC[C@@H]1C[C@@H]([C@@H]2CCC[NH2+]C2)CC[NH2+]1 757216629 582953150 /nfs/dbraw/zinc/95/31/50/582953150.db2.gz QJLHYPRTZBAKJP-AXFHLTTASA-N 2 0 197.326 0.313 10 0 ACAERP CC[C@@H]1[NH2+]C[C@@H](C)C[C@H]1[NH3+] 757215944 582953170 /nfs/dbraw/zinc/95/31/70/582953170.db2.gz OLTAYSWRTDKMCI-RNJXMRFFSA-N 2 0 142.246 0.722 10 0 ACAERP [NH3+]C[C@H]1C[NH2+]C[C@@H](c2cncnc2)C1 757215913 582953175 /nfs/dbraw/zinc/95/31/75/582953175.db2.gz OLQXUMWBUKQUBN-IUCAKERBSA-N 2 0 192.266 0.128 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]C2)NC1 757216547 582953199 /nfs/dbraw/zinc/95/31/99/582953199.db2.gz QHDAWWYMOOIYRN-BBBLOLIVSA-N 2 0 183.299 0.065 10 0 ACAERP C[C@@H]1[NH2+][C@@H](C2CCOCC2)CC[C@H]1[NH3+] 757215716 582953208 /nfs/dbraw/zinc/95/32/08/582953208.db2.gz XCZUMRDNXZZZNY-JMJZKYOTSA-N 2 0 198.310 0.881 10 0 ACAERP C[C@@H]1[NH2+][C@H](C2CCOCC2)CC[C@@H]1[NH3+] 757215718 582953233 /nfs/dbraw/zinc/95/32/33/582953233.db2.gz XCZUMRDNXZZZNY-LSJOCFKGSA-N 2 0 198.310 0.881 10 0 ACAERP 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843343644 583132302 /nfs/dbraw/zinc/13/23/02/583132302.db2.gz BTIHACCNWBCEFL-GHMZBOCLSA-N 3 0 199.342 0.975 10 0 ACAERP [NH3+]CCCCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] 843343647 583132501 /nfs/dbraw/zinc/13/25/01/583132501.db2.gz BTIHACCNWBCEFL-QWRGUYRKSA-N 3 0 199.342 0.975 10 0 ACAERP [NH3+]CCCCCC[NH2+]CC1(C[NH3+])CC1 843127548 583132517 /nfs/dbraw/zinc/13/25/17/583132517.db2.gz DWSIISMJNNBXEK-UHFFFAOYSA-N 3 0 199.342 0.834 10 0 ACAERP [NH3+]CCCCCC[NH2+][C@H]1CCC[C@H]1[NH3+] 843343645 583132524 /nfs/dbraw/zinc/13/25/24/583132524.db2.gz BTIHACCNWBCEFL-MNOVXSKESA-N 3 0 199.342 0.975 10 0 ACAERP CN(CCCCCCC[NH3+])C1C[NH2+]C1 843385297 583133154 /nfs/dbraw/zinc/13/31/54/583133154.db2.gz ILVAGURMBMSSOT-UHFFFAOYSA-N 2 0 199.342 0.799 10 0 ACAERP CN(CC[NH3+])CCCCCC[NH3+] 846223153 583153737 /nfs/dbraw/zinc/15/37/37/583153737.db2.gz HRKXGXNSPHDMAX-UHFFFAOYSA-N 2 0 173.304 0.396 10 0 ACAERP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCCC[NH3+] 846220110 583153987 /nfs/dbraw/zinc/15/39/87/583153987.db2.gz 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306954295 168499321 /nfs/dbraw/zinc/49/93/21/168499321.db2.gz NUQNVWBSCHBMOD-VHSXEESVSA-N 2 0 183.299 0.019 10 0 ACAERP C[C@@]1(CCC[NH3+])CCC[NH2+]1 95725523 168499438 /nfs/dbraw/zinc/49/94/38/168499438.db2.gz HANIGBOHJOFPJP-MRVPVSSYSA-N 2 0 142.246 0.867 10 0 ACAERP C[C@@]1(CN2CCC[NH2+]CC2)CC[NH2+]C1 306670641 168500072 /nfs/dbraw/zinc/50/00/72/168500072.db2.gz XWEZVMPMLUWCQA-LLVKDONJSA-N 2 0 197.326 0.281 10 0 ACAERP C[C@@]1(CN2CCC[C@@H]([NH3+])C2)CC[NH2+]C1 306513888 168500096 /nfs/dbraw/zinc/50/00/96/168500096.db2.gz SYVSLIPIHAEMJO-GHMZBOCLSA-N 2 0 197.326 0.409 10 0 ACAERP C[C@H](CC[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 53205809 168524307 /nfs/dbraw/zinc/52/43/07/168524307.db2.gz RGOHPXXWJRKOPQ-GHMZBOCLSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@H](CC[NH3+])C[NH2+]C[C@@H]1CCCO1 49806139 168524507 /nfs/dbraw/zinc/52/45/07/168524507.db2.gz HJYARCDKLJPNCP-ZJUUUORDSA-N 2 0 186.299 0.740 10 0 ACAERP C[C@H](C[NH3+])CCC[NH+](C)C 34752765 168527814 /nfs/dbraw/zinc/52/78/14/168527814.db2.gz CMKLGPKDLPKURL-QMMMGPOBSA-N 2 0 144.262 0.923 10 0 ACAERP C[C@H](C[NH3+])CC[NH2+]C[C@H]1CCCO1 49806136 168527837 /nfs/dbraw/zinc/52/78/37/168527837.db2.gz XHTKSHPBEGLMGQ-VHSXEESVSA-N 2 0 186.299 0.740 10 0 ACAERP C[C@H](C[NH3+])C[C@@H](C)[NH3+] 26154464 168530879 /nfs/dbraw/zinc/53/08/79/168530879.db2.gz ACEKLXGWCBIDGA-NTSWFWBYSA-N 2 0 116.208 0.319 10 0 ACAERP C[C@H]([NH3+])CC[NH2+]C1CC1 40408434 168546723 /nfs/dbraw/zinc/54/67/23/168546723.db2.gz FVUFWHDOBZUGDI-LURJTMIESA-N 2 0 128.219 0.476 10 0 ACAERP C[C@H]([NH3+])CN1CC[C@H]([NH3+])C(C)(C)C1 306512843 168548304 /nfs/dbraw/zinc/54/83/04/168548304.db2.gz QVBFCYBLTNDRIN-IUCAKERBSA-N 2 0 185.315 0.393 10 0 ACAERP C[C@H]([NH3+])CN1CC[NH+](C2CC2)CC1 42317771 168548382 /nfs/dbraw/zinc/54/83/82/168548382.db2.gz ZEVMZJWYKLWYFZ-VIFPVBQESA-N 2 0 183.299 0.114 10 0 ACAERP C[C@H]([NH3+])CN1CC[C@@H]([NH3+])C(C)(C)C1 306512842 168548699 /nfs/dbraw/zinc/54/86/99/168548699.db2.gz QVBFCYBLTNDRIN-DTWKUNHWSA-N 2 0 185.315 0.393 10 0 ACAERP 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/nfs/dbraw/zinc/08/09/23/169080923.db2.gz RBDIEGRPSWQJTA-UWVGGRQHSA-N 2 0 186.274 0.934 10 0 ACAERP [NH3+]C[C@H]1CCN(c2cc[nH+]cc2)C1 19514003 169216518 /nfs/dbraw/zinc/21/65/18/169216518.db2.gz ZPDQJCWLGVPZGG-SECBINFHSA-N 2 0 177.251 0.867 10 0 ACAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCCCC2)O1 52421243 169216522 /nfs/dbraw/zinc/21/65/22/169216522.db2.gz NQRPEIYUSBBHFP-MNOVXSKESA-N 2 0 198.310 0.979 10 0 ACAERP [NH3+]C[C@H]1CC[N@@H+]2CCC[C@H]2C1 82406862 169216535 /nfs/dbraw/zinc/21/65/35/169216535.db2.gz VIFRYJANRGQZKF-IUCAKERBSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 34754797 169216579 /nfs/dbraw/zinc/21/65/79/169216579.db2.gz UJRONJOYJYTSIW-NXEZZACHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCCC2)O1 52377455 169216592 /nfs/dbraw/zinc/21/65/92/169216592.db2.gz QSMYPBJGAULWLR-ZJUUUORDSA-N 2 0 184.283 0.589 10 0 ACAERP [NH3+]C[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 37157730 169216601 /nfs/dbraw/zinc/21/66/01/169216601.db2.gz QRAADNZJXITDEL-MWLCHTKSSA-N 2 0 198.310 0.571 10 0 ACAERP [NH3+]C[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 37157734 169216616 /nfs/dbraw/zinc/21/66/16/169216616.db2.gz QRAADNZJXITDEL-KOLCDFICSA-N 2 0 198.310 0.571 10 0 ACAERP [NH3+]C[C@H]1CCC[N@@H+]2CCSC[C@@H]12 82391950 169216636 /nfs/dbraw/zinc/21/66/36/169216636.db2.gz FJMQQWJACMPECH-BDAKNGLRSA-N 2 0 186.324 0.773 10 0 ACAERP [NH3+]C[C@H]1CC[N@@H+](C2CCC2)C1 52211009 169216676 /nfs/dbraw/zinc/21/66/76/169216676.db2.gz BUCKOXGQOYUEJT-MRVPVSSYSA-N 2 0 154.257 0.820 10 0 ACAERP NC(=[NH2+])CCCC[N@H+](CCO)C1CC1 42479710 169135816 /nfs/dbraw/zinc/13/58/16/169135816.db2.gz UMUXTWIPCXZXCT-UHFFFAOYSA-N 2 0 199.298 0.549 10 0 ACAERP NC(=[NH2+])CCC[N@H+](CCO)C1CC1 42479690 169136195 /nfs/dbraw/zinc/13/61/95/169136195.db2.gz VXWWTGYNQYNVQR-UHFFFAOYSA-N 2 0 185.271 0.159 10 0 ACAERP NC(=[NH2+])CC[N@@H+]1CCCC[C@@H]1CCO 19480608 169136217 /nfs/dbraw/zinc/13/62/17/169136217.db2.gz OKHJCHRWTFKAFJ-SECBINFHSA-N 2 0 199.298 0.549 10 0 ACAERP NC(=[NH2+])CCC[NH+]1CCC(O)CC1 19476789 169136333 /nfs/dbraw/zinc/13/63/33/169136333.db2.gz JLQRYSVOHXHSGN-UHFFFAOYSA-N 2 0 185.271 0.159 10 0 ACAERP NC(=[NH2+])CCCC[N@@H+]1CCC[C@@H]1CO 49579770 169136546 /nfs/dbraw/zinc/13/65/46/169136546.db2.gz JNBRZVSWJHAMOG-SECBINFHSA-N 2 0 199.298 0.549 10 0 ACAERP NC(=[NH2+])CCCC[NH+]1CCC(O)CC1 49579670 169136557 /nfs/dbraw/zinc/13/65/57/169136557.db2.gz AMYUCARLFIXQIG-UHFFFAOYSA-N 2 0 199.298 0.549 10 0 ACAERP NC(=[NH2+])C1CCC(C[NH3+])CC1 38803787 169136594 /nfs/dbraw/zinc/13/65/94/169136594.db2.gz MSNJBPXGKFRJHD-UHFFFAOYSA-N 2 0 155.245 0.687 10 0 ACAERP NC(=[NH2+])CCCC[N@@H+]1CCC[C@@H](O)C1 49579799 169136802 /nfs/dbraw/zinc/13/68/02/169136802.db2.gz ANPGZMPWEYLWRI-SECBINFHSA-N 2 0 199.298 0.549 10 0 ACAERP NC(=[NH2+])CCCCC(N)=[NH2+] 2547217 169136948 /nfs/dbraw/zinc/13/69/48/169136948.db2.gz PMYAHBSDMSMANK-UHFFFAOYSA-N 2 0 142.206 0.419 10 0 ACAERP NC(=[NH2+])CC[NH+]1CCSCC1 20257380 169136961 /nfs/dbraw/zinc/13/69/61/169136961.db2.gz CYEGAEADATXWJU-UHFFFAOYSA-N 2 0 173.285 0.361 10 0 ACAERP NC(=[NH2+])CC[N@H+](CCO)C1CCCC1 42508422 169136969 /nfs/dbraw/zinc/13/69/69/169136969.db2.gz YENSPRDUVHJOFB-UHFFFAOYSA-N 2 0 199.298 0.549 10 0 ACAERP NC(=[NH2+])N1CC[C@@H]([NH+]2CCCCC2)C1 62985228 169137322 /nfs/dbraw/zinc/13/73/22/169137322.db2.gz WUSPDYDNMRKESP-SECBINFHSA-N 2 0 196.298 0.440 10 0 ACAERP NC(=[NH2+])NCCCCCCCC[NH3+] 13542843 169137649 /nfs/dbraw/zinc/13/76/49/169137649.db2.gz XHTVDMDQVFYPOY-UHFFFAOYSA-N 2 0 186.303 0.769 10 0 ACAERP NC(=[NH2+])Cc1ccc(CC(N)=[NH2+])cc1 1438980 169137685 /nfs/dbraw/zinc/13/76/85/169137685.db2.gz MZSIZKOQJFUIDQ-UHFFFAOYSA-N 2 0 190.250 0.644 10 0 ACAERP NC(=[NH2+])NCC[NH+]1CCCCCC1 3636157 169138402 /nfs/dbraw/zinc/13/84/02/169138402.db2.gz QADKYECOIABVIL-UHFFFAOYSA-N 2 0 184.287 0.345 10 0 ACAERP NC(=[NH2+])NCC[NH+]1CCC2(CC1)CC2 2072 169138538 /nfs/dbraw/zinc/13/85/38/169138538.db2.gz MWFKNPHAOISKKI-UHFFFAOYSA-N 2 0 196.298 0.345 10 0 in-man ACAERP NC(=[NH2+])N1CC[C@H]([NH+]2CCCCC2)C1 62985229 169138572 /nfs/dbraw/zinc/13/85/72/169138572.db2.gz WUSPDYDNMRKESP-VIFPVBQESA-N 2 0 196.298 0.440 10 0 ACAERP NC(=[NH2+])c1c(N)oc2c1[C@H]([NH3+])CCC2 76193930 169138999 /nfs/dbraw/zinc/13/89/99/169138999.db2.gz XYHCSNUTLYPXEY-SCSAIBSYSA-N 2 0 194.238 0.482 10 0 ACAERP NC(=[NH2+])SCC[n+]1ccccc1 5514425 169139170 /nfs/dbraw/zinc/13/91/70/169139170.db2.gz BUROBUSQIFNOPR-UHFFFAOYSA-N 2 0 182.272 0.601 10 0 ACAERP NC(=[NH2+])c1c(N)oc2c1[C@@H]([NH3+])CCC2 76193932 169139368 /nfs/dbraw/zinc/13/93/68/169139368.db2.gz XYHCSNUTLYPXEY-BYPYZUCNSA-N 2 0 194.238 0.482 10 0 ACAERP NC(=[NH2+])SCC[NH+]1CCCC1 31373690 169139811 /nfs/dbraw/zinc/13/98/11/169139811.db2.gz ROTSZODIEPBOLI-UHFFFAOYSA-N 2 0 173.285 0.709 10 0 ACAERP [NH2+]=C(NCC[NH+]1CCCC1)NC1CC1 54133753 169140792 /nfs/dbraw/zinc/14/07/92/169140792.db2.gz ZPQJHVAQCMEAJG-UHFFFAOYSA-N 2 0 196.298 0.359 10 0 ACAERP NC(=[NH2+])c1cccc(CC[NH3+])c1 44396462 169140800 /nfs/dbraw/zinc/14/08/00/169140800.db2.gz AQRPYBMUXUUYAP-UHFFFAOYSA-N 2 0 163.224 0.472 10 0 ACAERP NC(=[NH2+])c1ccccc1C(N)=[NH2+] 1437921 169140879 /nfs/dbraw/zinc/14/08/79/169140879.db2.gz CZMCQHMXUGVADN-UHFFFAOYSA-N 2 0 162.196 0.255 10 0 ACAERP NC(=[NH2+])c1cccc(OCCC[NH3+])c1 39090426 169141860 /nfs/dbraw/zinc/14/18/60/169141860.db2.gz PNBUTGUTZFLAGG-UHFFFAOYSA-N 2 0 193.250 0.698 10 0 ACAERP NC(=[NH2+])c1ccc(OCCC[NH3+])cc1 39090481 169142055 /nfs/dbraw/zinc/14/20/55/169142055.db2.gz GUMCOQLLTWMTGV-UHFFFAOYSA-N 2 0 193.250 0.698 10 0 ACAERP [NH2+]=C(NC1CCCC1)N1CC[NH2+]CC1 52045650 169142058 /nfs/dbraw/zinc/14/20/58/169142058.db2.gz NNURUTXJLPMWAM-UHFFFAOYSA-N 2 0 196.298 0.359 10 0 ACAERP NC(=O)CN1CC[C@@]2(CCC[NH2+]C2)C1 335402059 169143016 /nfs/dbraw/zinc/14/30/16/169143016.db2.gz YNKDUWDFPFBVQV-SNVBAGLBSA-N 2 0 197.282 0.597 10 0 ACAERP NC(=O)CN1CC[C@]2(CCC[NH2+]C2)C1 335402058 169143051 /nfs/dbraw/zinc/14/30/51/169143051.db2.gz YNKDUWDFPFBVQV-JTQLQIEISA-N 2 0 197.282 0.597 10 0 ACAERP [NH2+]=CCc1c[nH]cn1 39132474 169144528 /nfs/dbraw/zinc/14/45/28/169144528.db2.gz CBARHIPQWQYPOK-UHFFFAOYSA-N 2 0 109.132 0.602 10 0 ACAERP [NH2+]=C1NC(=[NH2+])Nc2ccccc2N1 17173403 169145347 /nfs/dbraw/zinc/14/53/47/169145347.db2.gz UOSCIXCJLYKUGU-UHFFFAOYSA-N 2 0 175.195 0.773 10 0 ACAERP [NH3+]C1(C[NH2+]C[C@H]2CCOC2)CCCC1 61147540 169169001 /nfs/dbraw/zinc/16/90/01/169169001.db2.gz NIRYVIGNTMWRER-SNVBAGLBSA-N 2 0 198.310 0.884 10 0 ACAERP [NH3+]C1(C[NH2+]C[C@@H]2CCOC2)CCCC1 61147539 169169050 /nfs/dbraw/zinc/16/90/50/169169050.db2.gz NIRYVIGNTMWRER-JTQLQIEISA-N 2 0 198.310 0.884 10 0 ACAERP [NH3+]C1(CC[NH+]2CCCC2)CC1 82406917 169169071 /nfs/dbraw/zinc/16/90/71/169169071.db2.gz WQVLNIZWISFHDI-UHFFFAOYSA-N 2 0 154.257 0.964 10 0 ACAERP [NH3+]C1(CC[N@H+]2C[C@H]3C[C@H]3C2)CC1 82402808 169169504 /nfs/dbraw/zinc/16/95/04/169169504.db2.gz IXDLJKKRHKMCLO-DTORHVGOSA-N 2 0 166.268 0.820 10 0 ACAERP [NH3+]C1CC2(CC[NH2+]C2)C1 95077315 169171862 /nfs/dbraw/zinc/17/18/62/169171862.db2.gz SCSIASHFGZKKMO-UHFFFAOYSA-N 2 0 126.203 0.087 10 0 ACAERP [NH3+]C1CC(Nc2cc[nH+]cc2)C1 36268745 169172096 /nfs/dbraw/zinc/17/20/96/169172096.db2.gz ZHHDYNWMFBXZTB-UHFFFAOYSA-N 2 0 163.224 0.983 10 0 ACAERP [NH3+]C1CCC([NH2+]Cc2ncc[nH]2)CC1 51694599 169172124 /nfs/dbraw/zinc/17/21/24/169172124.db2.gz DCYNVHYIQZEPMX-UHFFFAOYSA-N 2 0 194.282 0.769 10 0 ACAERP [NH3+]C1CCC([NH2+]C[C@H]2CCOC2)CC1 51693300 169172197 /nfs/dbraw/zinc/17/21/97/169172197.db2.gz HTOJYKJZZPQPKT-KPPDAEKUSA-N 2 0 198.310 0.882 10 0 ACAERP [NH3+]C1CC([NH3+])(c2ccccc2)C1 72208608 169172217 /nfs/dbraw/zinc/17/22/17/169172217.db2.gz GDSYRGGLLQWSAR-UHFFFAOYSA-N 2 0 162.236 0.962 10 0 ACAERP [NH3+]C1CCC([N@@H+]2CCCOCC2)CC1 61918728 169172236 /nfs/dbraw/zinc/17/22/36/169172236.db2.gz SSXNWMWTINOSMR-UHFFFAOYSA-N 2 0 198.310 0.979 10 0 ACAERP [NH3+]C1CC2(CC[N@@H+](C3CC3)C2)C1 95077311 169172378 /nfs/dbraw/zinc/17/23/78/169172378.db2.gz CSOCNADMSPTFNR-UHFFFAOYSA-N 2 0 166.268 0.962 10 0 ACAERP [NH3+]C1CC(C[NH+]2CCCC2)C1 40450018 169172447 /nfs/dbraw/zinc/17/24/47/169172447.db2.gz HSEKUIBGQNAAIP-UHFFFAOYSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]C1CCC(C[NH+]2CCOCC2)CC1 37482366 169172604 /nfs/dbraw/zinc/17/26/04/169172604.db2.gz CFTCVDMEKQNGOO-UHFFFAOYSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]C1CCC([NH+]2CCNCC2)CC1 55144445 169172690 /nfs/dbraw/zinc/17/26/90/169172690.db2.gz SHSHMZJKMQRNTC-UHFFFAOYSA-N 2 0 183.299 0.162 10 0 ACAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCOC2)CC1 51693298 169172715 /nfs/dbraw/zinc/17/27/15/169172715.db2.gz HTOJYKJZZPQPKT-WHXUTIOJSA-N 2 0 198.310 0.882 10 0 ACAERP [NH3+]C1CCC([NH2+]Cc2cnc[nH]2)CC1 54765328 169172733 /nfs/dbraw/zinc/17/27/33/169172733.db2.gz ZKSKCZHWWUHMJR-UHFFFAOYSA-N 2 0 194.282 0.769 10 0 ACAERP [NH3+]C1CCC([N@@H+]2CCCNCC2)CC1 55144447 169172922 /nfs/dbraw/zinc/17/29/22/169172922.db2.gz GMVKMEJYTIKVJC-UHFFFAOYSA-N 2 0 197.326 0.552 10 0 ACAERP [NH3+]C1[C@H]2CC[C@@H]1C[N@@H+](C1CC1)C2 32629132 169173241 /nfs/dbraw/zinc/17/32/41/169173241.db2.gz OCUIGPZGSQTPHR-JWHQNHQBSA-N 2 0 166.268 0.818 10 0 ACAERP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCO 38314089 169173512 /nfs/dbraw/zinc/17/35/12/169173512.db2.gz MCMIXGYVLMRBHG-PBINXNQUSA-N 2 0 184.283 0.323 10 0 ACAERP [NH3+]C1C[C@@H]2CCC[C@H](C1)[NH2+]2 95932147 169173660 /nfs/dbraw/zinc/17/36/60/169173660.db2.gz XYUVTVGPYVVUCP-IEESLHIDSA-N 2 0 140.230 0.618 10 0 ACAERP [NH3+]CC(=O)NCC1([NH3+])CCCCCC1 307476644 169175641 /nfs/dbraw/zinc/17/56/41/169175641.db2.gz HDXOCNPDZYIOKW-UHFFFAOYSA-N 2 0 199.298 0.113 10 0 ACAERP [NH3+]CCC1([NH3+])CCCCC1 39017204 169179175 /nfs/dbraw/zinc/17/91/75/169179175.db2.gz CDXKGHJIGDQYPT-UHFFFAOYSA-N 2 0 142.246 0.997 10 0 ACAERP [NH3+]CCCCC[NH+]1CCC(O)CC1 49580601 169179958 /nfs/dbraw/zinc/17/99/58/169179958.db2.gz KZUAICGMFZMUOQ-UHFFFAOYSA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]CCCCC[N@@H+]1CCC[C@H](O)C1 49580707 169180021 /nfs/dbraw/zinc/18/00/21/169180021.db2.gz TUVBTRHNVFAREZ-JTQLQIEISA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]CCCCC[N@@H+]1CCC[C@@H](O)C1 49580708 169180300 /nfs/dbraw/zinc/18/03/00/169180300.db2.gz TUVBTRHNVFAREZ-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]CCCCC[N@H+](CCO)C1CC1 42478839 169180454 /nfs/dbraw/zinc/18/04/54/169180454.db2.gz SJEMDJFUCPYQPS-UHFFFAOYSA-N 2 0 186.299 0.572 10 0 ACAERP NC(=O)[C@@H]1CCC[N@@H+]1CCCCC[NH3+] 49580640 169180549 /nfs/dbraw/zinc/18/05/49/169180549.db2.gz YNFHBCLUDRBYLV-VIFPVBQESA-N 2 0 199.298 0.065 10 0 ACAERP NC(=O)[C@H]1CCCC[N@@H+]1CCCC[NH3+] 42404533 169180575 /nfs/dbraw/zinc/18/05/75/169180575.db2.gz APVFSBIYEAVEMV-SECBINFHSA-N 2 0 199.298 0.065 10 0 ACAERP [NH3+]CCCC1=[NH+]CCC1 34123226 169180593 /nfs/dbraw/zinc/18/05/93/169180593.db2.gz FSIKYZFAMIDJLH-UHFFFAOYSA-N 2 0 126.203 0.960 10 0 ACAERP [NH3+]CCCCC[NH2+]CCCC[NH3+] 13510009 169180602 /nfs/dbraw/zinc/18/06/02/169180602.db2.gz XHRDTOGCOTXOLX-UHFFFAOYSA-N 3 0 173.304 0.444 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCC[NH2+]CC1 58006674 169180687 /nfs/dbraw/zinc/18/06/87/169180687.db2.gz PMRRGCOECAFSEZ-UHFFFAOYSA-N 2 0 171.288 0.021 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166.224 0.483 10 0 ACAERP [NH3+]CCSC1CC[NH2+]CC1 43501296 169192177 /nfs/dbraw/zinc/19/21/77/169192177.db2.gz AKZOGLOTGWQHIH-UHFFFAOYSA-N 2 0 160.286 0.430 10 0 ACAERP [NH3+]CCSC[C@@H]1CC[NH2+]C1 51891103 169192240 /nfs/dbraw/zinc/19/22/40/169192240.db2.gz OLDYJXUOAYTJNK-SSDOTTSWSA-N 2 0 160.286 0.288 10 0 ACAERP [NH3+]CCOCCC[NH+]1CCCC1 51864702 169192256 /nfs/dbraw/zinc/19/22/56/169192256.db2.gz FTKOHEYIGTUALN-UHFFFAOYSA-N 2 0 172.272 0.448 10 0 ACAERP [NH3+]CCOc1cccc(C[NH3+])c1 50285702 169192277 /nfs/dbraw/zinc/19/22/77/169192277.db2.gz DSEIVKMXJMXGGH-UHFFFAOYSA-N 2 0 166.224 0.483 10 0 ACAERP [NH3+]CCOc1ccccc1C[NH3+] 48021225 169192342 /nfs/dbraw/zinc/19/23/42/169192342.db2.gz YOEFOFPDJPDWBL-UHFFFAOYSA-N 2 0 166.224 0.483 10 0 ACAERP NC1=[NH+][C@H](CC[NH3+])CCCC1 26638944 169192823 /nfs/dbraw/zinc/19/28/23/169192823.db2.gz KENFUNZIVHXJNM-ZETCQYMHSA-N 2 0 155.245 0.635 10 0 in-vivo ACAERP [NH3+]CCS[C@@H]1CCC[NH2+]C1 43501732 169192857 /nfs/dbraw/zinc/19/28/57/169192857.db2.gz 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171.288 0.195 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCSC[C@@H]12 82391955 169194041 /nfs/dbraw/zinc/19/40/41/169194041.db2.gz ZIHUDNVFTOYYRL-BDAKNGLRSA-N 2 0 186.324 0.773 10 0 ACAERP [NH3+]CC[C@@H]1C[C@H]1c1c[nH]cn1 26979369 169194067 /nfs/dbraw/zinc/19/40/67/169194067.db2.gz OTBYLNCJHFPRTL-RNFRBKRXSA-N 2 0 151.213 0.862 10 0 ACAERP [NH3+]CC[C@@H]1COC[C@H]1[NH+]1CCCC1 82393018 169194074 /nfs/dbraw/zinc/19/40/74/169194074.db2.gz BWDHPEYYYYNVKO-NXEZZACHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@H](C[NH3+])c1ccco1 41167212 169194102 /nfs/dbraw/zinc/19/41/02/169194102.db2.gz UGEMCEIORVPPNC-SSDOTTSWSA-N 2 0 154.213 0.671 10 0 ACAERP [NH3+]CC[C@@H]1COC[C@H]2CCC[N@H+]12 82400814 169194125 /nfs/dbraw/zinc/19/41/25/169194125.db2.gz OWWAIENUEXOQTQ-RKDXNWHRSA-N 2 0 170.256 0.198 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCC[C@@H]12 82406894 169194279 /nfs/dbraw/zinc/19/42/79/169194279.db2.gz DORYBKQCUVQMAM-BDAKNGLRSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]CC[C@@H]1C[NH+]2CCC1CC2 43559441 169194300 /nfs/dbraw/zinc/19/43/00/169194300.db2.gz ZAPSWEKGAGYXQA-SECBINFHSA-N 2 0 154.257 0.677 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCOC[C@H]12 82400864 169194303 /nfs/dbraw/zinc/19/43/03/169194303.db2.gz LVIGARXTBQGNCQ-RKDXNWHRSA-N 2 0 170.256 0.056 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCOC[C@H]2C1 82393013 169194386 /nfs/dbraw/zinc/19/43/86/169194386.db2.gz IRWPLMQSWOQDCN-NXEZZACHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@@H]1CCC[N@@H+]2CCOC[C@H]12 82393061 169194438 /nfs/dbraw/zinc/19/44/38/169194438.db2.gz PHALMWAUJSPQRF-VHSXEESVSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@@H]1COC[C@@H]1[NH+]1CCCC1 82393019 169194443 /nfs/dbraw/zinc/19/44/43/169194443.db2.gz BWDHPEYYYYNVKO-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@@H]1CN2CCSC2=[NH+]1 11969323 169194459 /nfs/dbraw/zinc/19/44/59/169194459.db2.gz DEHFGAAUSXHOTI-ZCFIWIBFSA-N 2 0 171.269 0.122 10 0 ACAERP [NH3+]CC[C@H](O)C[NH2+]Cc1ccco1 71499540 169194491 /nfs/dbraw/zinc/19/44/91/169194491.db2.gz DZTOGSLJLYOPLF-QMMMGPOBSA-N 2 0 184.239 0.079 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCC[C@H]12 82406893 169194538 /nfs/dbraw/zinc/19/45/38/169194538.db2.gz DORYBKQCUVQMAM-RKDXNWHRSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]CC[C@@H]1CCC[C@H]([NH3+])C1 104645321 169194549 /nfs/dbraw/zinc/19/45/49/169194549.db2.gz SODXNTSWWHSDCE-YUMQZZPRSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCSC[C@H]12 82391954 169194610 /nfs/dbraw/zinc/19/46/10/169194610.db2.gz ZIHUDNVFTOYYRL-RKDXNWHRSA-N 2 0 186.324 0.773 10 0 ACAERP [NH3+]CC[C@@H]1C[N@@H+](C2CC2)CCO1 71496517 169194673 /nfs/dbraw/zinc/19/46/73/169194673.db2.gz SJYPSMMTQGCSJF-SECBINFHSA-N 2 0 170.256 0.198 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+](C2CC2)C1 61992257 169194683 /nfs/dbraw/zinc/19/46/83/169194683.db2.gz LWSLNWUEMVSXGT-MRVPVSSYSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]CC[C@@H]1COC[C@@H]2CCC[N@@H+]21 82400815 169194709 /nfs/dbraw/zinc/19/47/09/169194709.db2.gz OWWAIENUEXOQTQ-DTWKUNHWSA-N 2 0 170.256 0.198 10 0 ACAERP [NH3+]CC[C@H](O)C[NH2+]Cc1ccccc1 71506898 169194714 /nfs/dbraw/zinc/19/47/14/169194714.db2.gz JIGVQVMYORVCDO-NSHDSACASA-N 2 0 194.278 0.486 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCOC[C@@H]12 82400865 169194722 /nfs/dbraw/zinc/19/47/22/169194722.db2.gz LVIGARXTBQGNCQ-BDAKNGLRSA-N 2 0 170.256 0.056 10 0 ACAERP [NH3+]CC[C@@H]1CN2C=CC=CC2=[NH+]1 95931519 169194737 /nfs/dbraw/zinc/19/47/37/169194737.db2.gz BFKBVIQEKUJJPT-MRVPVSSYSA-N 2 0 163.224 0.501 10 0 ACAERP [NH3+]CC[C@@H]1COCC[C@H]1[NH+]1CCCC1 82384185 169194757 /nfs/dbraw/zinc/19/47/57/169194757.db2.gz YYKHCKUWLLZHTQ-GHMZBOCLSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]CC[C@@H]1CC[N@@H+]2CCOC[C@@H]2C1 82393012 169194792 /nfs/dbraw/zinc/19/47/92/169194792.db2.gz IRWPLMQSWOQDCN-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@@H]1CCC[C@@H](CC[NH3+])N1 36384896 169194800 /nfs/dbraw/zinc/19/48/00/169194800.db2.gz ZOULUQNTQXNCKL-IUCAKERBSA-N 2 0 171.288 0.195 10 0 ACAERP [NH3+]CC[C@H]1COCC[C@@H]1[NH+]1CCCC1 82384184 169194920 /nfs/dbraw/zinc/19/49/20/169194920.db2.gz YYKHCKUWLLZHTQ-QWRGUYRKSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]CC[C@H]1C[C@@H]1c1c[nH]cn1 116897174 169194925 /nfs/dbraw/zinc/19/49/25/169194925.db2.gz OTBYLNCJHFPRTL-BQBZGAKWSA-N 2 0 151.213 0.862 10 0 ACAERP [NH3+]CC[C@H]1C[N@@H+](C2CC2)CCO1 71496518 169194975 /nfs/dbraw/zinc/19/49/75/169194975.db2.gz SJYPSMMTQGCSJF-VIFPVBQESA-N 2 0 170.256 0.198 10 0 ACAERP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 82911564 169194983 /nfs/dbraw/zinc/19/49/83/169194983.db2.gz AYJGNXBSTVPVQA-WDEREUQCSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]CC[C@H]1CCC[C@@H]([NH3+])C1 104645313 169195006 /nfs/dbraw/zinc/19/50/06/169195006.db2.gz SODXNTSWWHSDCE-HTQZYQBOSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]CC[C@H]1CC[N@@H+](C2CC2)C1 61992256 169195024 /nfs/dbraw/zinc/19/50/24/169195024.db2.gz LWSLNWUEMVSXGT-QMMMGPOBSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]CC[C@H]1C[C@H]1c1c[nH]cn1 13519013 169195055 /nfs/dbraw/zinc/19/50/55/169195055.db2.gz OTBYLNCJHFPRTL-NKWVEPMBSA-N 2 0 151.213 0.862 10 0 ACAERP [NH3+]CC[C@H]1CC[N@@H+]2CCC[C@@H]12 82406896 169195154 /nfs/dbraw/zinc/19/51/54/169195154.db2.gz DORYBKQCUVQMAM-IUCAKERBSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]CC[C@H]1CCC[N@@H+]2CCOC[C@@H]12 82393058 169195177 /nfs/dbraw/zinc/19/51/77/169195177.db2.gz PHALMWAUJSPQRF-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@H]1CCC[C@H]([NH3+])C1 104645318 169195190 /nfs/dbraw/zinc/19/51/90/169195190.db2.gz SODXNTSWWHSDCE-SFYZADRCSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 82911565 169195205 /nfs/dbraw/zinc/19/52/05/169195205.db2.gz AYJGNXBSTVPVQA-QWRGUYRKSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]CC[C@H]1COC[C@@H]1[NH+]1CCCC1 82393017 169195236 /nfs/dbraw/zinc/19/52/36/169195236.db2.gz BWDHPEYYYYNVKO-UWVGGRQHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@H]1CCC[C@H](CC[NH3+])N1 36384897 169195268 /nfs/dbraw/zinc/19/52/68/169195268.db2.gz ZOULUQNTQXNCKL-RKDXNWHRSA-N 2 0 171.288 0.195 10 0 ACAERP [NH3+]CC[C@H]1C[N@@H+](C2CCCC2)CCO1 71507733 169195434 /nfs/dbraw/zinc/19/54/34/169195434.db2.gz GDMNVXANXXMEFL-NSHDSACASA-N 2 0 198.310 0.979 10 0 ACAERP [NH3+]CC[C@H]1CC[N@@H+]2CCC[C@H]12 82406895 169195441 /nfs/dbraw/zinc/19/54/41/169195441.db2.gz DORYBKQCUVQMAM-DTWKUNHWSA-N 2 0 154.257 0.820 10 0 ACAERP [NH3+]CC[C@H]1COC[C@@H]2CCCCN12 82393006 169195457 /nfs/dbraw/zinc/19/54/57/169195457.db2.gz XSDWWGWWXOSLJW-UWVGGRQHSA-N 2 0 184.283 0.589 10 0 ACAERP [NH3+]CC[C@H]1CCn2ccnc2C1 82403279 169195584 /nfs/dbraw/zinc/19/55/84/169195584.db2.gz GABRIRFUJXSAES-QMMMGPOBSA-N 2 0 165.240 0.794 10 0 ACAERP [NH3+]CC[C@H]1C[NH+]2CCC1CC2 43559442 169195595 /nfs/dbraw/zinc/19/55/95/169195595.db2.gz ZAPSWEKGAGYXQA-VIFPVBQESA-N 2 0 154.257 0.677 10 0 ACAERP NC1=[NH+][C@@H](CC[NH3+])CCCC1 26638950 169195614 /nfs/dbraw/zinc/19/56/14/169195614.db2.gz KENFUNZIVHXJNM-SSDOTTSWSA-N 2 0 155.245 0.635 10 0 in-vivo ACAERP [NH3+]CC[C@H]1COC[C@H]1[NH+]1CCCC1 82393016 169195623 /nfs/dbraw/zinc/19/56/23/169195623.db2.gz BWDHPEYYYYNVKO-VHSXEESVSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@H]1CCC[N@@H+]1C1CC1 17977689 169195762 /nfs/dbraw/zinc/19/57/62/169195762.db2.gz VOADJVRGZXDVFB-MRVPVSSYSA-N 2 0 154.257 0.962 10 0 ACAERP [NH3+]CC[C@H]1CCC[N@@H+]2CCOC[C@H]12 82393060 169195772 /nfs/dbraw/zinc/19/57/72/169195772.db2.gz PHALMWAUJSPQRF-NXEZZACHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC[C@H]1COC[C@@H]2CCC[N@H+]12 82400813 169195843 /nfs/dbraw/zinc/19/58/43/169195843.db2.gz OWWAIENUEXOQTQ-IUCAKERBSA-N 2 0 170.256 0.198 10 0 ACAERP [NH3+]CC[C@H]1COCC[C@H]1[NH+]1CCCC1 82384183 169195869 /nfs/dbraw/zinc/19/58/69/169195869.db2.gz YYKHCKUWLLZHTQ-WDEREUQCSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+]CC[C@H]1CCc2cncn21 82407956 169195883 /nfs/dbraw/zinc/19/58/83/169195883.db2.gz WXOYHKKYKGQUNJ-SSDOTTSWSA-N 2 0 151.213 0.719 10 0 ACAERP [NH3+]CC[C@H]1COC[C@H]2CCCCN12 82393007 169195889 /nfs/dbraw/zinc/19/58/89/169195889.db2.gz XSDWWGWWXOSLJW-ZJUUUORDSA-N 2 0 184.283 0.589 10 0 ACAERP [NH3+]CC[C@H]1COC[C@H]2CCC[N@H+]12 82400812 169195933 /nfs/dbraw/zinc/19/59/33/169195933.db2.gz OWWAIENUEXOQTQ-BDAKNGLRSA-N 2 0 170.256 0.198 10 0 ACAERP [NH3+]CC[C@H]1C[NH+]=C(c2ccccc2)N1 66167071 169195945 /nfs/dbraw/zinc/19/59/45/169195945.db2.gz VUTWLZCEIGRJNM-JTQLQIEISA-N 2 0 189.262 0.754 10 0 ACAERP Nc1cc(CC[NH3+])ncc1Cl 95773562 169196103 /nfs/dbraw/zinc/19/61/03/169196103.db2.gz HNSCBVKWANJKCV-UHFFFAOYSA-N 2 0 171.631 0.818 10 0 ACAERP [NH3+]CCc1ccc(CC[NH3+])o1 44372252 169197559 /nfs/dbraw/zinc/19/75/59/169197559.db2.gz HVLOWHVZLUWIGX-UHFFFAOYSA-N 2 0 154.213 0.282 10 0 ACAERP [NH3+]CCc1ccc(F)c(C[NH3+])c1 44250044 169197563 /nfs/dbraw/zinc/19/75/63/169197563.db2.gz OMQVJRZNVGDZCI-UHFFFAOYSA-N 2 0 168.215 0.786 10 0 ACAERP [NH3+]CCc1ccc2c(c1)C[NH2+]CCN2 44373118 169197652 /nfs/dbraw/zinc/19/76/52/169197652.db2.gz OMKBKCHZTNLHQJ-UHFFFAOYSA-N 2 0 191.278 0.703 10 0 ACAERP [NH3+]CCc1ccc(C[NH3+])cc1 44250108 169197688 /nfs/dbraw/zinc/19/76/88/169197688.db2.gz IUJQKLZOCVYOOW-UHFFFAOYSA-N 2 0 150.225 0.647 10 0 ACAERP [NH3+]CCc1ccccc1C[NH3+] 34741851 169197772 /nfs/dbraw/zinc/19/77/72/169197772.db2.gz JUTSLNNVUDLPLD-UHFFFAOYSA-N 2 0 150.225 0.647 10 0 ACAERP [NH3+]CCc1ccnc(C[NH3+])c1 44399270 169197854 /nfs/dbraw/zinc/19/78/54/169197854.db2.gz UHXMVCHBACTTQQ-UHFFFAOYSA-N 2 0 151.213 0.042 10 0 ACAERP [NH3+]CCc1ccc(CC[NH3+])s1 44397534 169198008 /nfs/dbraw/zinc/19/80/08/169198008.db2.gz NIBXLHMVEVJAEN-UHFFFAOYSA-N 2 0 170.281 0.751 10 0 ACAERP [NH3+]CCc1ccc(C2=[NH+]CCN2)cc1 90609067 169198284 /nfs/dbraw/zinc/19/82/84/169198284.db2.gz IQBPJBHUYHKLNN-UHFFFAOYSA-N 2 0 189.262 0.538 10 0 ACAERP [NH3+]CCc1ccc(=O)n2c1[NH2+]CCC2 105693791 169198320 /nfs/dbraw/zinc/19/83/20/169198320.db2.gz MSLDJWJUMTYXOL-UHFFFAOYSA-N 2 0 193.250 0.165 10 0 ACAERP [NH3+]CCc1cccnc1C[NH3+] 44399274 169198360 /nfs/dbraw/zinc/19/83/60/169198360.db2.gz PWYDOSHURZAEKM-UHFFFAOYSA-N 2 0 151.213 0.042 10 0 ACAERP [NH3+]CCc1ccc2c(c1)C[NH2+]CC2 44372596 169198365 /nfs/dbraw/zinc/19/83/65/169198365.db2.gz KYYVEGLWRVTOLZ-UHFFFAOYSA-N 2 0 176.263 0.834 10 0 ACAERP [NH3+]CCc1c[nH]c([C@@H]2CCC[NH2+]C2)n1 75597114 169198538 /nfs/dbraw/zinc/19/85/38/169198538.db2.gz MYGNRMZWICXACU-MRVPVSSYSA-N 2 0 194.282 0.378 10 0 ACAERP [NH3+]CCc1cn2cc[nH+]c2[nH]1 82408391 169198620 /nfs/dbraw/zinc/19/86/20/169198620.db2.gz MZAKFGMIHZPIMW-UHFFFAOYSA-N 2 0 150.185 0.164 10 0 ACAERP [NH3+]CCc1csc(C2C[NH2+]C2)n1 83340872 169198705 /nfs/dbraw/zinc/19/87/05/169198705.db2.gz AGYDRQVCLZAGDG-UHFFFAOYSA-N 2 0 183.280 0.331 10 0 ACAERP [NH3+]CCc1c[nH]c([C@H]2CCCC[NH2+]2)n1 75597108 169198795 /nfs/dbraw/zinc/19/87/95/169198795.db2.gz QOINZRBWURJKPS-SECBINFHSA-N 2 0 194.282 0.726 10 0 ACAERP [NH3+]CCc1c[nH]c(C2CC[NH2+]CC2)n1 75597117 169199200 /nfs/dbraw/zinc/19/92/00/169199200.db2.gz IQZSVXGSTJSWOV-UHFFFAOYSA-N 2 0 194.282 0.378 10 0 ACAERP Nc1cc[nH+]cc1CC[NH3+] 44397304 169199297 /nfs/dbraw/zinc/19/92/97/169199297.db2.gz DAFUWXUKETXOQH-UHFFFAOYSA-N 2 0 137.186 0.165 10 0 ACAERP [NH3+]CCc1c[nH]c([C@@H]2CCCC[NH2+]2)n1 75597107 169199323 /nfs/dbraw/zinc/19/93/23/169199323.db2.gz QOINZRBWURJKPS-VIFPVBQESA-N 2 0 194.282 0.726 10 0 ACAERP [NH3+]CCc1cncc(C[NH3+])c1 44399272 169199337 /nfs/dbraw/zinc/19/93/37/169199337.db2.gz AALXSPMBZFJBGA-UHFFFAOYSA-N 2 0 151.213 0.042 10 0 ACAERP [NH3+]CCc1c[nH]c([C@H]2CCC[NH2+]C2)n1 75597115 169199554 /nfs/dbraw/zinc/19/95/54/169199554.db2.gz MYGNRMZWICXACU-QMMMGPOBSA-N 2 0 194.282 0.378 10 0 ACAERP [NH3+]CCc1nccn1-c1cc[nH+]cc1 52304413 169199904 /nfs/dbraw/zinc/19/99/04/169199904.db2.gz WYGMZAHYKRZTEK-UHFFFAOYSA-N 2 0 188.234 0.769 10 0 ACAERP [NH3+]CCc1nnc([C@@H]2CCC[NH2+]C2)o1 83342547 169200418 /nfs/dbraw/zinc/20/04/18/169200418.db2.gz LSFFLUFWEZIKAY-SSDOTTSWSA-N 2 0 196.254 0.038 10 0 ACAERP [NH3+]CCc1nnc(C2CC[NH2+]CC2)o1 83342549 169201006 /nfs/dbraw/zinc/20/10/06/169201006.db2.gz RBVNJUXBEBQVLO-UHFFFAOYSA-N 2 0 196.254 0.038 10 0 ACAERP [NH3+]CCn1c[nH+]c2c1NCCC2 106492715 169202047 /nfs/dbraw/zinc/20/20/47/169202047.db2.gz NFYACCCLRZAUHN-UHFFFAOYSA-N 2 0 166.228 0.200 10 0 ACAERP [NH3+]C[C@@H](O)C[NH+]1CCCCCCC1 20265484 169203360 /nfs/dbraw/zinc/20/33/60/169203360.db2.gz FZCNEZMSUCRHCC-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]C[C@@H](O)CC[NH+]1CCCCC1 82399891 169203469 /nfs/dbraw/zinc/20/34/69/169203469.db2.gz QZTPAXUFZVZALP-VIFPVBQESA-N 2 0 172.272 0.182 10 0 ACAERP [NH3+]C[C@@H](O)c1ncc2ccccn12 76166628 169204304 /nfs/dbraw/zinc/20/43/04/169204304.db2.gz VLNYELCTOHGHKA-MRVPVSSYSA-N 2 0 177.207 0.326 10 0 ACAERP [NH3+]C[C@@H](O)[C@H]1CC[N@@H+]2CCC[C@H]1C2 76629366 169204980 /nfs/dbraw/zinc/20/49/80/169204980.db2.gz RATJTBURLPEWIE-LPEHRKFASA-N 2 0 184.283 0.038 10 0 ACAERP [NH3+]C[C@@H](O)Cc1[nH+]cc2ccccn12 76165917 169205460 /nfs/dbraw/zinc/20/54/60/169205460.db2.gz IPKZNLGUVNIUAB-VIFPVBQESA-N 2 0 191.234 0.196 10 0 ACAERP [NH3+]C[C@@H]1CCCCC[C@@H]1[NH3+] 23694901 169206010 /nfs/dbraw/zinc/20/60/10/169206010.db2.gz KBNNTYXJGFFFFI-YUMQZZPRSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]C[C@@H]1CC=CC[C@H]1[NH3+] 32098939 169206471 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51015915 343287853 /nfs/dbraw/zinc/28/78/53/343287853.db2.gz HIWXFMDNPTVPQG-UHFFFAOYSA-N 2 0 184.283 0.195 10 0 ACAERP C[N@@H+]1CCCN(CC(C)(C)C[NH3+])CC1 51213724 343289434 /nfs/dbraw/zinc/28/94/34/343289434.db2.gz VNRPPMHGQJKKCD-UHFFFAOYSA-N 2 0 199.342 0.609 10 0 ACAERP C[C@H]1CC[N@H+](C[C@]2(C[NH3+])CCOC2)C1 51249967 343289588 /nfs/dbraw/zinc/28/95/88/343289588.db2.gz IQPVSYPRSQFLGC-WDEREUQCSA-N 2 0 198.310 0.694 10 0 ACAERP C[C@@H]1CC[N@H+](C[C@H](O)C[NH3+])[C@H](C)C1 51730798 343292750 /nfs/dbraw/zinc/29/27/50/343292750.db2.gz KOXFUYTWFOFDTR-OPRDCNLKSA-N 2 0 186.299 0.426 10 0 ACAERP C[NH+](C)C1CCN([C@@H]2CC[NH2+]C2)CC1 51783096 343293280 /nfs/dbraw/zinc/29/32/80/343293280.db2.gz NYUCMEAQSAJSEL-LLVKDONJSA-N 2 0 197.326 0.374 10 0 ACAERP C1CC[NH+](CCOC[C@H]2CC[NH2+]C2)C1 51888105 343294829 /nfs/dbraw/zinc/29/48/29/343294829.db2.gz DKZCESNOPWWTMG-NSHDSACASA-N 2 0 198.310 0.708 10 0 ACAERP C[N@H+](C[C@@H]1CC[NH2+]C1)C1CCOCC1 51889534 343295516 /nfs/dbraw/zinc/29/55/16/343295516.db2.gz 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/nfs/dbraw/zinc/29/86/89/343298689.db2.gz WAGFGFDGUAZMPQ-UHFFFAOYSA-N 2 0 196.298 0.311 10 0 ACAERP CC(C)NC(=[NH2+])N1CCC[N@H+](C)CC1 52037264 343298824 /nfs/dbraw/zinc/29/88/24/343298824.db2.gz WOMLREGXNQRHNT-UHFFFAOYSA-N 2 0 198.314 0.557 10 0 ACAERP CCCNC(=[NH2+])N1CCC[N@H+](C)CC1 52037260 343298871 /nfs/dbraw/zinc/29/88/71/343298871.db2.gz DNIJKPGTBPSBDK-UHFFFAOYSA-N 2 0 198.314 0.558 10 0 ACAERP CCNC(=[NH2+])N[C@H]1CC[N@@H+]2CCC[C@H]12 52044200 343299469 /nfs/dbraw/zinc/29/94/69/343299469.db2.gz CPASPMCSPSHQAN-DTWKUNHWSA-N 2 0 196.298 0.357 10 0 ACAERP CCNC(=[NH2+])N[C@@H]1CC[N@@H+]2CCC[C@H]12 52044198 343299618 /nfs/dbraw/zinc/29/96/18/343299618.db2.gz CPASPMCSPSHQAN-RKDXNWHRSA-N 2 0 196.298 0.357 10 0 ACAERP CCn1cc[nH+]c1N[C@H]1CC[NH2+]C1 52093973 343299875 /nfs/dbraw/zinc/29/98/75/343299875.db2.gz FMVRKNWKDMGPOV-QMMMGPOBSA-N 2 0 180.255 0.677 10 0 ACAERP CCn1cc[nH+]c1N[C@@H]1CC[NH2+]C1 52093972 343300051 /nfs/dbraw/zinc/30/00/51/343300051.db2.gz FMVRKNWKDMGPOV-MRVPVSSYSA-N 2 0 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IHSSLFQBCFYYBP-QMMMGPOBSA-N 2 0 142.246 0.725 10 0 ACAERP CC[C@]1(C[NH3+])CC[NH2+]C1 62911463 343384542 /nfs/dbraw/zinc/38/45/42/343384542.db2.gz PPVFMYCLJOAUFJ-SSDOTTSWSA-N 2 0 128.219 0.335 10 0 ACAERP CC[NH2+]C[C@]1(C)CC[NH2+]C1 62911439 343384552 /nfs/dbraw/zinc/38/45/52/343384552.db2.gz ZENBRLPBZVRDBM-QMMMGPOBSA-N 2 0 142.246 0.596 10 0 ACAERP CC[C@]1(C[NH2+]C)CC[NH2+]C1 62911435 343384564 /nfs/dbraw/zinc/38/45/64/343384564.db2.gz QGNZIIWFSUSEFQ-MRVPVSSYSA-N 2 0 142.246 0.596 10 0 ACAERP CC(C)[NH2+]C[C@]1(C)CC[NH2+]C1 62911391 343384592 /nfs/dbraw/zinc/38/45/92/343384592.db2.gz DDSSFRFQXKDOTF-SECBINFHSA-N 2 0 156.273 0.984 10 0 ACAERP C[C@]1(C[NH2+]C2CC2)CC[NH2+]C1 62911415 343384611 /nfs/dbraw/zinc/38/46/11/343384611.db2.gz NKIDDWMQMVEKEO-VIFPVBQESA-N 2 0 154.257 0.738 10 0 ACAERP CC[C@]1(C[NH+](C)C)CC[NH2+]C1 62910973 343384672 /nfs/dbraw/zinc/38/46/72/343384672.db2.gz OZRDDWBAQAGPOW-VIFPVBQESA-N 2 0 156.273 0.938 10 0 ACAERP CCC[C@]1(C[NH3+])CC[NH2+]C1 62911465 343384676 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SLMZWOSTWBQCPK-GHMZBOCLSA-N 2 0 197.326 0.232 10 0 ACAERP CNC(=[NH2+])N(C)C[C@@H]1CC[N@H+](C)C1 70823212 343534023 /nfs/dbraw/zinc/53/40/23/343534023.db2.gz HMJJILVSBOJOFJ-MRVPVSSYSA-N 2 0 184.287 0.024 10 0 ACAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH2+]C1 70822161 343534073 /nfs/dbraw/zinc/53/40/73/343534073.db2.gz SLMZWOSTWBQCPK-WDEREUQCSA-N 2 0 197.326 0.232 10 0 ACAERP CC(C)[N@@H+]1CCO[C@H](CC(N)=[NH2+])C1 70834791 343535567 /nfs/dbraw/zinc/53/55/67/343535567.db2.gz LAWAOJCYLDSWMR-MRVPVSSYSA-N 2 0 185.271 0.422 10 0 ACAERP CN(c1cc[nH+]cc1)[C@@H]1CC[NH2+]C1 70897357 343540216 /nfs/dbraw/zinc/54/02/16/343540216.db2.gz WGPLCDHUSDPZMM-SNVBAGLBSA-N 2 0 177.251 0.880 10 0 ACAERP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C)C1 70898428 343540365 /nfs/dbraw/zinc/54/03/65/343540365.db2.gz WNGXCGIXTWZAOY-GHMZBOCLSA-N 2 0 197.326 0.374 10 0 ACAERP CCN([C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C)C1 70898435 343540392 /nfs/dbraw/zinc/54/03/92/343540392.db2.gz WNGXCGIXTWZAOY-WDEREUQCSA-N 2 0 197.326 0.374 10 0 ACAERP CN(c1cc[nH+]cc1)[C@H]1CC[NH2+]C1 70897362 343540644 /nfs/dbraw/zinc/54/06/44/343540644.db2.gz WGPLCDHUSDPZMM-JTQLQIEISA-N 2 0 177.251 0.880 10 0 ACAERP Cn1cc[nH+]c1N[C@H]1CCC[NH2+]C1 70950358 343543550 /nfs/dbraw/zinc/54/35/50/343543550.db2.gz CIHYVTQBARUICH-QMMMGPOBSA-N 2 0 180.255 0.584 10 0 ACAERP [NH3+]C1CCC([NH2+][C@@H]2CCOC2)CC1 70969192 343545949 /nfs/dbraw/zinc/54/59/49/343545949.db2.gz HPCSYQDGOJDVPW-UDNWOFFPSA-N 2 0 184.283 0.635 10 0 ACAERP C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CC[C@@H]1[NH3+] 71014037 343548328 /nfs/dbraw/zinc/54/83/28/343548328.db2.gz MJFUMNHAWIKANY-MXWKQRLJSA-N 2 0 198.310 0.835 10 0 ACAERP C1COC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 71012558 343548337 /nfs/dbraw/zinc/54/83/37/343548337.db2.gz GHYDPHRIWGTODQ-JTQLQIEISA-N 2 0 184.283 0.507 10 0 ACAERP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCOC1 71014066 343548536 /nfs/dbraw/zinc/54/85/36/343548536.db2.gz JNAPFQHMEOITCD-OUAUKWLOSA-N 2 0 198.310 0.977 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@@H]1CCCOC1 71014063 343548575 /nfs/dbraw/zinc/54/85/75/343548575.db2.gz JNAPFQHMEOITCD-GMTAPVOTSA-N 2 0 198.310 0.977 10 0 ACAERP C1COC[C@H]([NH+]2CCC[NH2+]CCC2)C1 71024100 343548728 /nfs/dbraw/zinc/54/87/28/343548728.db2.gz WITUBTCOUBKGRN-LLVKDONJSA-N 2 0 198.310 0.851 10 0 ACAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 71014098 343548765 /nfs/dbraw/zinc/54/87/65/343548765.db2.gz XERQALXUZGITLS-GHMZBOCLSA-N 2 0 198.310 0.707 10 0 ACAERP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 71014086 343549023 /nfs/dbraw/zinc/54/90/23/343549023.db2.gz DEWWHAIGVZXQAS-NXEZZACHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 71014084 343549030 /nfs/dbraw/zinc/54/90/30/343549030.db2.gz DEWWHAIGVZXQAS-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP C1COC[C@@H]([NH+]2CCC[NH2+]CCC2)C1 71024097 343549058 /nfs/dbraw/zinc/54/90/58/343549058.db2.gz WITUBTCOUBKGRN-NSHDSACASA-N 2 0 198.310 0.851 10 0 ACAERP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 71014094 343549065 /nfs/dbraw/zinc/54/90/65/343549065.db2.gz XERQALXUZGITLS-WDEREUQCSA-N 2 0 198.310 0.707 10 0 ACAERP C[NH+](C)[C@H]1CCN(CC(C)(C)[NH3+])C1 71137259 343550997 /nfs/dbraw/zinc/55/09/97/343550997.db2.gz YHUDRNAIKATWLK-VIFPVBQESA-N 2 0 185.315 0.360 10 0 ACAERP C[NH+](C)[C@@H]1CCN(CC(C)(C)[NH3+])C1 71137260 343551015 /nfs/dbraw/zinc/55/10/15/343551015.db2.gz YHUDRNAIKATWLK-SECBINFHSA-N 2 0 185.315 0.360 10 0 ACAERP CC[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 71499872 343555140 /nfs/dbraw/zinc/55/51/40/343555140.db2.gz FXSNPFCXQFIMRC-VIFPVBQESA-N 2 0 186.299 0.571 10 0 ACAERP CN1CC[NH+]([C@@H]2CCC[C@H]([NH3+])C2)CC1 71507579 343555649 /nfs/dbraw/zinc/55/56/49/343555649.db2.gz ZQPOWVCQVKUXRP-WDEREUQCSA-N 2 0 197.326 0.504 10 0 ACAERP CN1CC[NH+]([C@@H]2CCC[C@@H]([NH3+])C2)CC1 71507581 343555676 /nfs/dbraw/zinc/55/56/76/343555676.db2.gz ZQPOWVCQVKUXRP-GHMZBOCLSA-N 2 0 197.326 0.504 10 0 ACAERP CN1CC[NH+]([C@H]2CCC[C@@H]([NH3+])C2)CC1 71507582 343555834 /nfs/dbraw/zinc/55/58/34/343555834.db2.gz ZQPOWVCQVKUXRP-MNOVXSKESA-N 2 0 197.326 0.504 10 0 ACAERP CN1CC[NH+]([C@H]2CCC[C@H]([NH3+])C2)CC1 71507580 343555864 /nfs/dbraw/zinc/55/58/64/343555864.db2.gz ZQPOWVCQVKUXRP-QWRGUYRKSA-N 2 0 197.326 0.504 10 0 ACAERP CC(C)(C)OC(=O)[C@H](C[NH3+])CC[NH3+] 71606853 343556601 /nfs/dbraw/zinc/55/66/01/343556601.db2.gz BNMKRRPVZFNWPN-ZETCQYMHSA-N 2 0 188.271 0.252 10 0 ACAERP C[NH2+][C@H](C)C1CC[NH2+]CC1 71617433 343556907 /nfs/dbraw/zinc/55/69/07/343556907.db2.gz WIGVCXMDNQDMAP-SSDOTTSWSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH2+][C@@H](C)C1CC[NH2+]CC1 71617431 343557076 /nfs/dbraw/zinc/55/70/76/343557076.db2.gz WIGVCXMDNQDMAP-ZETCQYMHSA-N 2 0 142.246 0.594 10 0 ACAERP OCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 82383810 343599681 /nfs/dbraw/zinc/59/96/81/343599681.db2.gz BDCOVFDLDRPURI-GHMZBOCLSA-N 2 0 198.310 0.300 10 0 ACAERP OCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 82383808 343599760 /nfs/dbraw/zinc/59/97/60/343599760.db2.gz BDCOVFDLDRPURI-QWRGUYRKSA-N 2 0 198.310 0.300 10 0 ACAERP OCCCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 82383807 343599772 /nfs/dbraw/zinc/59/97/72/343599772.db2.gz BDCOVFDLDRPURI-PHIMTYICSA-N 2 0 198.310 0.300 10 0 ACAERP CN(CC[NH+](C)C)CC(C)(C)[NH3+] 82542683 343606300 /nfs/dbraw/zinc/60/63/00/343606300.db2.gz RCZNSGBSKPNEBF-UHFFFAOYSA-N 2 0 173.304 0.217 10 0 ACAERP CC[C@@H]1C[NH2+]CC[C@H]1[NH3+] 83598492 343621785 /nfs/dbraw/zinc/62/17/85/343621785.db2.gz DJYSFNRQHHNIRQ-RNFRBKRXSA-N 2 0 128.219 0.333 10 0 ACAERP CC[C@@H]1C[NH2+]CC[C@@H]1[NH3+] 83598488 343621838 /nfs/dbraw/zinc/62/18/38/343621838.db2.gz DJYSFNRQHHNIRQ-RQJHMYQMSA-N 2 0 128.219 0.333 10 0 ACAERP CC[C@H]1C[NH2+]CC[C@@H]1[NH3+] 83598491 343621940 /nfs/dbraw/zinc/62/19/40/343621940.db2.gz DJYSFNRQHHNIRQ-BQBZGAKWSA-N 2 0 128.219 0.333 10 0 ACAERP CC[C@H]1C[NH2+]CC[C@H]1[NH3+] 83598493 343622103 /nfs/dbraw/zinc/62/21/03/343622103.db2.gz DJYSFNRQHHNIRQ-NKWVEPMBSA-N 2 0 128.219 0.333 10 0 ACAERP C[NH+](C)[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]2C1 83847894 343625741 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154.257 0.738 10 0 ACAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH3+] 86931827 343657233 /nfs/dbraw/zinc/65/72/33/343657233.db2.gz SJZGXDAERJEZQY-NXEZZACHSA-N 2 0 183.299 0.114 10 0 ACAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH3+] 86931844 343657260 /nfs/dbraw/zinc/65/72/60/343657260.db2.gz QJWAFDSQTLZPOB-WDEREUQCSA-N 2 0 197.326 0.504 10 0 ACAERP CC(C)([NH3+])CN1CC[N@@H+]2CCC[C@@H]2C1 86932984 343657311 /nfs/dbraw/zinc/65/73/11/343657311.db2.gz ZDRZSOIMHFDGGJ-SNVBAGLBSA-N 2 0 197.326 0.504 10 0 ACAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH3+] 86931828 343657437 /nfs/dbraw/zinc/65/74/37/343657437.db2.gz SJZGXDAERJEZQY-VHSXEESVSA-N 2 0 183.299 0.114 10 0 ACAERP C[NH2+]CCC[N@H+](C)CCC(=O)OC 87472014 343661383 /nfs/dbraw/zinc/66/13/83/343661383.db2.gz MOLXWYJUIPGLIL-UHFFFAOYSA-N 2 0 188.271 0.091 10 0 ACAERP C1C[NH2+]C[C@@H](C[NH2+]C2CCOCC2)C1 87646483 343662803 /nfs/dbraw/zinc/66/28/03/343662803.db2.gz QBQJBHVZJOKSKQ-JTQLQIEISA-N 2 0 198.310 0.755 10 0 ACAERP C[N@H+](C[C@H]1CCCOC1)C1CC([NH3+])C1 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[NH3+]CCSC1=[NH+]CCCN1 138024240 343987568 /nfs/dbraw/zinc/98/75/68/343987568.db2.gz DOINZZPFRABERR-UHFFFAOYSA-N 2 0 159.258 0.028 10 0 ACAERP [NH3+]C[C@]12CCC[C@H]1C[NH2+]C2 138077058 343987930 /nfs/dbraw/zinc/98/79/30/343987930.db2.gz QLMMUMCZZDQUNG-YUMQZZPRSA-N 2 0 140.230 0.335 10 0 ACAERP [NH3+]CC1C[C@@H]2CC[C@H](C1)[NH2+]2 138562343 343989419 /nfs/dbraw/zinc/98/94/19/343989419.db2.gz AGYGGNCSLGICML-IEESLHIDSA-N 2 0 140.230 0.476 10 0 ACAERP C[C@@H](CN1CCO[C@H](C)C1)C(N)=[NH2+] 139259807 343993861 /nfs/dbraw/zinc/99/38/61/343993861.db2.gz OACDLXYVCSARQF-JGVFFNPUSA-N 2 0 185.271 0.279 10 0 ACAERP CC1(C(N)=[NH2+])CC[NH2+]CC1 140172536 343998500 /nfs/dbraw/zinc/99/85/00/343998500.db2.gz ORSBIDAPJXIBJL-UHFFFAOYSA-N 2 0 141.218 0.312 10 0 ACAERP CCCC[NH2+][C@@H](C)CN 140566982 344000394 /nfs/dbraw/zinc/00/03/94/344000394.db2.gz UIRHUEXBTGDGHZ-ZETCQYMHSA-N 2 0 130.235 0.723 10 0 ACAERP CCCC[NH2+][C@H](C)CN 140567153 344000512 /nfs/dbraw/zinc/00/05/12/344000512.db2.gz 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[NH3+]CC12CCC([NH3+])(CC1)CC2 141684371 344007111 /nfs/dbraw/zinc/00/71/11/344007111.db2.gz UCJQJKHICXHCPK-UHFFFAOYSA-N 2 0 154.257 0.997 10 0 ACAERP C[N@@H+]1C[C@H](N)CC1(C)C 141685258 344007236 /nfs/dbraw/zinc/00/72/36/344007236.db2.gz WJUYMWGBEFFRMR-ZCFIWIBFSA-N 2 0 128.219 0.428 10 0 ACAERP C[N@@H+]1C[C@@H](N)CC1(C)C 141685076 344007277 /nfs/dbraw/zinc/00/72/77/344007277.db2.gz WJUYMWGBEFFRMR-LURJTMIESA-N 2 0 128.219 0.428 10 0 ACAERP C[NH+]1CCC(n2cnc(N)c2)CC1 142671991 344014086 /nfs/dbraw/zinc/01/40/86/344014086.db2.gz CWBGUWYMIPFZGP-UHFFFAOYSA-N 2 0 180.255 0.732 10 0 ACAERP C[C@@H]1[C@H]([NH3+])CC[N@H+](C)[C@@H]1C 143490620 344019370 /nfs/dbraw/zinc/01/93/70/344019370.db2.gz LYRGEXSZZAEQRM-XLPZGREQSA-N 2 0 142.246 0.674 10 0 ACAERP [NH3+][C@@H]1CCC[C@@H]2[NH2+]CC[C@H]21 143609096 344020604 /nfs/dbraw/zinc/02/06/04/344020604.db2.gz HFVBBOCELPYSFZ-RNJXMRFFSA-N 2 0 140.230 0.476 10 0 ACAERP C[C@@H]1CC[C@@H](CN)[NH2+]C1 144051493 344023929 /nfs/dbraw/zinc/02/39/29/344023929.db2.gz IYYBNLPPLIPEOM-RQJHMYQMSA-N 2 0 128.219 0.333 10 0 ACAERP C[C@H]1CC[C@H](CN)[NH2+]C1 144052111 344024072 /nfs/dbraw/zinc/02/40/72/344024072.db2.gz IYYBNLPPLIPEOM-NKWVEPMBSA-N 2 0 128.219 0.333 10 0 ACAERP C[C@H]1CC[C@@H](CN)[NH2+]C1 144051709 344024133 /nfs/dbraw/zinc/02/41/33/344024133.db2.gz IYYBNLPPLIPEOM-BQBZGAKWSA-N 2 0 128.219 0.333 10 0 ACAERP CCN1CC[C@H](C)[C@@H]([NH3+])C1 144687275 344028401 /nfs/dbraw/zinc/02/84/01/344028401.db2.gz MUHBXUINLBIRNY-YUMQZZPRSA-N 2 0 142.246 0.675 10 0 ACAERP [NH3+]C[C@]1(F)CCC[NH2+]C1 144469307 344027201 /nfs/dbraw/zinc/02/72/01/344027201.db2.gz TXJTZXMBYLZIRV-ZCFIWIBFSA-N 2 0 132.182 0.037 10 0 ACAERP CC[N@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 144516728 344027381 /nfs/dbraw/zinc/02/73/81/344027381.db2.gz NJHJKAWNIOGYHB-YIZRAAEISA-N 2 0 154.257 0.675 10 0 ACAERP FC1CCN([C@@H]2CC[NH2+]C2)CC1 144672728 344028478 /nfs/dbraw/zinc/02/84/78/344028478.db2.gz NMQJAYKETLRKJZ-SECBINFHSA-N 2 0 172.247 0.782 10 0 ACAERP CCN1CC[C@@H](C)[C@@H]([NH3+])C1 144687070 344028486 /nfs/dbraw/zinc/02/84/86/344028486.db2.gz MUHBXUINLBIRNY-SFYZADRCSA-N 2 0 142.246 0.675 10 0 ACAERP FC1CCN([C@H]2CC[NH2+]C2)CC1 144672894 344028531 /nfs/dbraw/zinc/02/85/31/344028531.db2.gz NMQJAYKETLRKJZ-VIFPVBQESA-N 2 0 172.247 0.782 10 0 ACAERP NC(=[NH2+])NC(=[NH2+])NCC1=CCCC1 144739011 344028919 /nfs/dbraw/zinc/02/89/19/344028919.db2.gz MQGXJSZFDAYERX-UHFFFAOYSA-N 2 0 181.243 0.104 10 0 ACAERP NC(=[NH2+])NC(=[NH2+])NCC1=CCCCC1 144775531 344029291 /nfs/dbraw/zinc/02/92/91/344029291.db2.gz XHJRKDMFDDVHDB-UHFFFAOYSA-N 2 0 195.270 0.494 10 0 ACAERP C[C@@H]1N[C@H](C)N(C[C@@H](C)[NH+](C)C)C1=O 144989232 344030607 /nfs/dbraw/zinc/03/06/07/344030607.db2.gz YFHIXSDGXUMEMV-VGMNWLOBSA-N 2 0 199.298 0.103 10 0 ACAERP C[C@@H]1N[C@@H](C)N(C[C@@H](C)[NH+](C)C)C1=O 144988836 344030781 /nfs/dbraw/zinc/03/07/81/344030781.db2.gz YFHIXSDGXUMEMV-HRDYMLBCSA-N 2 0 199.298 0.103 10 0 ACAERP NC(=[NH2+])NC(=[NH2+])NC[C@H]1CC=CCC1 145325774 344032739 /nfs/dbraw/zinc/03/27/39/344032739.db2.gz NSMQBSQCTMCDSM-ZETCQYMHSA-N 2 0 195.270 0.350 10 0 ACAERP [NH3+]C[C@H]1CCC[NH2+]CC1 145350080 344032837 /nfs/dbraw/zinc/03/28/37/344032837.db2.gz HGXYOECHPBCPPN-ZETCQYMHSA-N 2 0 128.219 0.335 10 0 ACAERP [NH3+]C[C@@H]1CCC[NH2+]CC1 145350259 344032942 /nfs/dbraw/zinc/03/29/42/344032942.db2.gz HGXYOECHPBCPPN-SSDOTTSWSA-N 2 0 128.219 0.335 10 0 ACAERP NC(=[NH2+])N1CCC([NH+]2CCCC2)CC1 145323549 344033029 /nfs/dbraw/zinc/03/30/29/344033029.db2.gz USEUBSYUHGSISS-UHFFFAOYSA-N 2 0 196.298 0.440 10 0 ACAERP C[NH2+]CCOCC[NH2+]C(C)C 145831877 344035959 /nfs/dbraw/zinc/03/59/59/344035959.db2.gz ASVCXMVYQHIKGD-UHFFFAOYSA-N 2 0 160.261 0.220 10 0 ACAERP C[NH2+]C[C@@H](N)C(C)(C)C 145851928 344036423 /nfs/dbraw/zinc/03/64/23/344036423.db2.gz JPAOUXGZIYXKAU-ZCFIWIBFSA-N 2 0 130.235 0.579 10 0 ACAERP C[NH2+]C[C@H](N)C(C)(C)C 145852125 344036620 /nfs/dbraw/zinc/03/66/20/344036620.db2.gz JPAOUXGZIYXKAU-LURJTMIESA-N 2 0 130.235 0.579 10 0 ACAERP NC(=[NH2+])N1CCN(C2CCC2)CC1 145929546 344037270 /nfs/dbraw/zinc/03/72/70/344037270.db2.gz PSVDLHQOLKEVAR-UHFFFAOYSA-N 2 0 182.271 0.050 10 0 ACAERP NC1(c2ccccc2)CNCC[NH2+]C1 146214853 344039426 /nfs/dbraw/zinc/03/94/26/344039426.db2.gz OIKDQMFSMXTXHR-UHFFFAOYSA-N 2 0 191.278 0.033 10 0 ACAERP C[NH2+][C@]1(CCO)C[C@@H](C)N(C)C1 148215452 344050924 /nfs/dbraw/zinc/05/09/24/344050924.db2.gz ATYQOFKTDDVBOP-RKDXNWHRSA-N 2 0 172.272 0.051 10 0 ACAERP CC[C@@H]1C[NH2+]C[C@H]1C[NH3+] 147250960 344043766 /nfs/dbraw/zinc/04/37/66/344043766.db2.gz PDSAEJNMTLMYNJ-RNFRBKRXSA-N 2 0 128.219 0.191 10 0 ACAERP C[C@H]1C/C(=C\C[NH3+])C[N@@H+]1C 148202905 344050536 /nfs/dbraw/zinc/05/05/36/344050536.db2.gz GVERDOBQPRDTRJ-TWGKFFBLSA-N 2 0 140.230 0.596 10 0 ACAERP C[C@@H]1C/C(=C\CC[NH3+])C[N@@H+]1C 148203177 344050666 /nfs/dbraw/zinc/05/06/66/344050666.db2.gz XAEUOEXINSSENZ-SXPLAPADSA-N 2 0 154.257 0.986 10 0 ACAERP C[C@@H]1C/C(=C\C[NH3+])C[N@@H+]1C 148202671 344050676 /nfs/dbraw/zinc/05/06/76/344050676.db2.gz GVERDOBQPRDTRJ-KOERYYGSSA-N 2 0 140.230 0.596 10 0 ACAERP C[C@@H]1C[C@H]([C@@H]2CC[NH2+]C2)C[N@@H+]1C 148203699 344050916 /nfs/dbraw/zinc/05/09/16/344050916.db2.gz ORTWCKKWMSGUPQ-BBBLOLIVSA-N 2 0 168.284 0.936 10 0 ACAERP C[C@H]1C/C(=C\CC[NH3+])C[N@@H+]1C 148203402 344050945 /nfs/dbraw/zinc/05/09/45/344050945.db2.gz XAEUOEXINSSENZ-DHFUWRPHSA-N 2 0 154.257 0.986 10 0 ACAERP C[C@@H]1C[C@@H]([C@@H]2CC[NH2+]C2)C[N@@H+]1C 148204071 344050975 /nfs/dbraw/zinc/05/09/75/344050975.db2.gz ORTWCKKWMSGUPQ-OPRDCNLKSA-N 2 0 168.284 0.936 10 0 ACAERP C[C@H]([NH3+])[C@H](C)C[NH+]1CCC1 148369227 344053689 /nfs/dbraw/zinc/05/36/89/344053689.db2.gz ZBZYIUYOUYTFGP-SFYZADRCSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@@H]([NH3+])[C@H](C)C[NH+]1CCC1 148369001 344053614 /nfs/dbraw/zinc/05/36/14/344053614.db2.gz ZBZYIUYOUYTFGP-HTQZYQBOSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@@H](C[NH+]1CCC1)[C@@H](C)[NH3+] 148368561 344053680 /nfs/dbraw/zinc/05/36/80/344053680.db2.gz ZBZYIUYOUYTFGP-JGVFFNPUSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)C[NH+]1CCC1 148368777 344053822 /nfs/dbraw/zinc/05/38/22/344053822.db2.gz ZBZYIUYOUYTFGP-YUMQZZPRSA-N 2 0 142.246 0.675 10 0 ACAERP C[NH2+]CC1C[C@@H]2CC[C@H](C1)[NH2+]2 148406218 344054330 /nfs/dbraw/zinc/05/43/30/344054330.db2.gz GFNHXUPKLOGENT-CBLAIPOGSA-N 2 0 154.257 0.736 10 0 ACAERP CN1CCN(Nc2cccn[nH+]2)CC1 148471928 344054488 /nfs/dbraw/zinc/05/44/88/344054488.db2.gz LXZHRASUBCIRCI-UHFFFAOYSA-N 2 0 193.254 0.051 10 0 ACAERP [NH3+]CCC1CCN(C2=[NH+]CCN2)CC1 148635597 344056917 /nfs/dbraw/zinc/05/69/17/344056917.db2.gz GRYPCJJGBHUWPX-UHFFFAOYSA-N 2 0 196.298 0.006 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@@H]1C[NH3+] 148663240 344057060 /nfs/dbraw/zinc/05/70/60/344057060.db2.gz IHCFLCGOIQJTSJ-NKWVEPMBSA-N 2 0 128.219 0.333 10 0 ACAERP C[C@H]1[NH2+]CCC[C@H]1C[NH3+] 148662671 344057196 /nfs/dbraw/zinc/05/71/96/344057196.db2.gz IHCFLCGOIQJTSJ-RQJHMYQMSA-N 2 0 128.219 0.333 10 0 ACAERP C[C@H]1[NH2+]CCC[C@@H]1C[NH3+] 148663053 344057205 /nfs/dbraw/zinc/05/72/05/344057205.db2.gz IHCFLCGOIQJTSJ-RNFRBKRXSA-N 2 0 128.219 0.333 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@H]1C[NH3+] 148662847 344057288 /nfs/dbraw/zinc/05/72/88/344057288.db2.gz IHCFLCGOIQJTSJ-BQBZGAKWSA-N 2 0 128.219 0.333 10 0 ACAERP C[NH2+]CC1CN(C(C)C)C1 148718299 344057632 /nfs/dbraw/zinc/05/76/32/344057632.db2.gz OVFGTVWNIDSIJO-UHFFFAOYSA-N 2 0 142.246 0.546 10 0 ACAERP CC[C@H]1CN(CC[NH3+])[C@@H](CC)C[NH2+]1 148772939 344058276 /nfs/dbraw/zinc/05/82/76/344058276.db2.gz YSGHRJSAEBMOOA-UWVGGRQHSA-N 2 0 185.315 0.408 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CSC(N)=[NH2+] 149114842 344062495 /nfs/dbraw/zinc/06/24/95/344062495.db2.gz IGGJAOIKWSGCGU-ZCFIWIBFSA-N 2 0 173.285 0.707 10 0 ACAERP [NH3+]CC[C@H]1CCCC[C@H]1[NH3+] 149311046 344063881 /nfs/dbraw/zinc/06/38/81/344063881.db2.gz OIWMBEBRUCRULR-HTQZYQBOSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]CC[C@@H]1CCCC[C@H]1[NH3+] 149310716 344063930 /nfs/dbraw/zinc/06/39/30/344063930.db2.gz OIWMBEBRUCRULR-JGVFFNPUSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]CC[C@@H]1CCCC[C@@H]1[NH3+] 149310562 344063976 /nfs/dbraw/zinc/06/39/76/344063976.db2.gz OIWMBEBRUCRULR-YUMQZZPRSA-N 2 0 142.246 0.853 10 0 ACAERP [NH3+]CC[C@H]1CCCC[C@@H]1[NH3+] 149310867 344064139 /nfs/dbraw/zinc/06/41/39/344064139.db2.gz OIWMBEBRUCRULR-SFYZADRCSA-N 2 0 142.246 0.853 10 0 ACAERP C[N@H+](CC1C[NH2+]C1)C(C)(C)C 149372131 344064943 /nfs/dbraw/zinc/06/49/43/344064943.db2.gz WBUXJLWKGWDDRK-UHFFFAOYSA-N 2 0 156.273 0.936 10 0 ACAERP CC[NH2+][C@@H](C)C1(F)CC([NH3+])C1 156407739 344085870 /nfs/dbraw/zinc/08/58/70/344085870.db2.gz BPLLQIBUVSGDMB-KKMMWDRVSA-N 2 0 160.236 0.814 10 0 ACAERP CC(C)[C@H]([NH3+])C[C@@H]1C[N@H+](C)CCN1C 149466244 344066827 /nfs/dbraw/zinc/06/68/27/344066827.db2.gz IQNULZYNAOKKPP-GHMZBOCLSA-N 2 0 199.342 0.606 10 0 ACAERP CN1CC[N@H+](C)C[C@H]1C[C@H]([NH3+])C1CC1 149427411 344065940 /nfs/dbraw/zinc/06/59/40/344065940.db2.gz BCDKOOLEARGUJB-MNOVXSKESA-N 2 0 197.326 0.360 10 0 ACAERP [NH3+]C1CC(F)([C@H]2CCC[NH2+]2)C1 156407508 344086234 /nfs/dbraw/zinc/08/62/34/344086234.db2.gz XFYMPRQHGFYZEL-ZUEIMRROSA-N 2 0 158.220 0.568 10 0 ACAERP CC(C)[C@@H]([NH3+])C[C@H]1C[N@H+](C)CCN1C 149466816 344066468 /nfs/dbraw/zinc/06/64/68/344066468.db2.gz IQNULZYNAOKKPP-QWRGUYRKSA-N 2 0 199.342 0.606 10 0 ACAERP CC(C)[C@H]([NH3+])C[C@H]1C[N@H+](C)CCN1C 149466622 344066617 /nfs/dbraw/zinc/06/66/17/344066617.db2.gz IQNULZYNAOKKPP-WDEREUQCSA-N 2 0 199.342 0.606 10 0 ACAERP CC(C)[C@@H]([NH3+])C[C@@H]1C[N@H+](C)CCN1C 149466439 344066624 /nfs/dbraw/zinc/06/66/24/344066624.db2.gz IQNULZYNAOKKPP-MNOVXSKESA-N 2 0 199.342 0.606 10 0 ACAERP C[C@](F)(C[NH3+])[C@H]1CCC[NH2+]1 156445509 344087424 /nfs/dbraw/zinc/08/74/24/344087424.db2.gz ZCNDXBGOSAOHEF-RQJHMYQMSA-N 2 0 146.209 0.425 10 0 ACAERP [NH3+]C1(C[NH+]2CCCC2)CCOCC1 149758457 344070693 /nfs/dbraw/zinc/07/06/93/344070693.db2.gz OWJPSBCEKLFSMC-UHFFFAOYSA-N 2 0 184.283 0.590 10 0 ACAERP C[C@H]1CCC[N@@H+]1CC1([NH3+])CCOCC1 149777552 344070734 /nfs/dbraw/zinc/07/07/34/344070734.db2.gz DWWMIUFDOFSGOR-JTQLQIEISA-N 2 0 198.310 0.979 10 0 ACAERP C[C@@H]1CCC[N@@H+]1CC1([NH3+])CCOCC1 149777335 344070824 /nfs/dbraw/zinc/07/08/24/344070824.db2.gz DWWMIUFDOFSGOR-SNVBAGLBSA-N 2 0 198.310 0.979 10 0 ACAERP CC(C)C[NH2+]CC1([NH3+])CCOCC1 149780865 344071303 /nfs/dbraw/zinc/07/13/03/344071303.db2.gz GUVOXJZKOFFFNP-UHFFFAOYSA-N 2 0 186.299 0.740 10 0 ACAERP CC[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 149780216 344071346 /nfs/dbraw/zinc/07/13/46/344071346.db2.gz JZADIQRWQXUJAD-SECBINFHSA-N 2 0 186.299 0.882 10 0 ACAERP [NH3+]C1(C[NH2+]CC2CC2)CCOCC1 149781741 344071373 /nfs/dbraw/zinc/07/13/73/344071373.db2.gz WYGVLZDNESYVKS-UHFFFAOYSA-N 2 0 184.283 0.494 10 0 ACAERP CC(C)[NH2+]CC1([NH3+])CCOCC1 149779805 344071388 /nfs/dbraw/zinc/07/13/88/344071388.db2.gz RFPXANDJUPLQTD-UHFFFAOYSA-N 2 0 172.272 0.492 10 0 ACAERP [NH3+]C1(C[NH2+]C2CCC2)CCOCC1 149799683 344071517 /nfs/dbraw/zinc/07/15/17/344071517.db2.gz YOWNSGHDXNVUDY-UHFFFAOYSA-N 2 0 184.283 0.636 10 0 ACAERP CC[C@H](C)[NH2+]CC1([NH3+])CCOCC1 149780405 344071640 /nfs/dbraw/zinc/07/16/40/344071640.db2.gz JZADIQRWQXUJAD-VIFPVBQESA-N 2 0 186.299 0.882 10 0 ACAERP CC[NH2+]CC1([NH3+])CCOCC1 149781498 344071647 /nfs/dbraw/zinc/07/16/47/344071647.db2.gz VGCFFQJUXLNZNT-UHFFFAOYSA-N 2 0 158.245 0.104 10 0 ACAERP [NH3+]C1(C[NH2+]C2CC2)CCOCC1 149780642 344071669 /nfs/dbraw/zinc/07/16/69/344071669.db2.gz JORZMBQXBWLVPR-UHFFFAOYSA-N 2 0 170.256 0.246 10 0 ACAERP CCNC(=[NH2+])C[C@H]1C[N@H+](C)CCN1C 149833024 344071968 /nfs/dbraw/zinc/07/19/68/344071968.db2.gz MRRAKVRISAYHQB-VIFPVBQESA-N 2 0 198.314 0.209 10 0 ACAERP CCNC(=[NH2+])C[C@@H]1C[N@H+](C)CCN1C 149832817 344071980 /nfs/dbraw/zinc/07/19/80/344071980.db2.gz MRRAKVRISAYHQB-SECBINFHSA-N 2 0 198.314 0.209 10 0 ACAERP CN(C)C(=[NH2+])C[C@@H]1C[N@H+](C)CCN1C 149835627 344072050 /nfs/dbraw/zinc/07/20/50/344072050.db2.gz XUVNAFQRYGIOSW-SECBINFHSA-N 2 0 198.314 0.161 10 0 ACAERP C[NH2+][C@@H]1CCN(CC2(O)CCCC2)C1 150167929 344077776 /nfs/dbraw/zinc/07/77/76/344077776.db2.gz XZDPCHJMTDJAOI-SNVBAGLBSA-N 2 0 198.310 0.585 10 0 ACAERP C[NH2+][C@H]1CCN(CC2(O)CCCC2)C1 150168146 344077931 /nfs/dbraw/zinc/07/79/31/344077931.db2.gz XZDPCHJMTDJAOI-JTQLQIEISA-N 2 0 198.310 0.585 10 0 ACAERP C[NH+](C)[C@@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 150190310 344078189 /nfs/dbraw/zinc/07/81/89/344078189.db2.gz AGVVQOUIPIRGNQ-BRPSZJMVSA-N 2 0 154.257 0.831 10 0 ACAERP C[C@@H]1C[C@H](NCC[NH3+])CC[N@@H+]1C 156020729 344080026 /nfs/dbraw/zinc/08/00/26/344080026.db2.gz OUWOJQREJZUZLY-RKDXNWHRSA-N 2 0 171.288 0.017 10 0 ACAERP C[C@H]1C[C@H](NCC[NH3+])CC[N@@H+]1C 156020839 344080266 /nfs/dbraw/zinc/08/02/66/344080266.db2.gz OUWOJQREJZUZLY-DTWKUNHWSA-N 2 0 171.288 0.017 10 0 ACAERP C[C@H]1C[C@@H](NCC[NH3+])CC[N@@H+]1C 156021075 344080390 /nfs/dbraw/zinc/08/03/90/344080390.db2.gz OUWOJQREJZUZLY-IUCAKERBSA-N 2 0 171.288 0.017 10 0 ACAERP C[C@@H]1C[C@@H](NCC[NH3+])CC[N@@H+]1C 156020955 344080428 /nfs/dbraw/zinc/08/04/28/344080428.db2.gz OUWOJQREJZUZLY-BDAKNGLRSA-N 2 0 171.288 0.017 10 0 ACAERP C[C@@H]1C[C@@](C[NH3+])(N(C)C)CC[N@@H+]1C 156207812 344081688 /nfs/dbraw/zinc/08/16/88/344081688.db2.gz MAOHETKURNSFGZ-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@@H]1C[C@](C[NH3+])(N(C)C)CC[N@@H+]1C 156208061 344081815 /nfs/dbraw/zinc/08/18/15/344081815.db2.gz MAOHETKURNSFGZ-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP CN(C)[C@]1(C[NH3+])CC[N@@H+]2CCC[C@@H]2C1 156208323 344081838 /nfs/dbraw/zinc/08/18/38/344081838.db2.gz DUMDEWGMVYGPED-GHMZBOCLSA-N 2 0 197.326 0.504 10 0 ACAERP CN(C)[C@@]1(C[NH3+])CC[N@@H+]2CCC[C@@H]2C1 156208447 344081953 /nfs/dbraw/zinc/08/19/53/344081953.db2.gz DUMDEWGMVYGPED-MNOVXSKESA-N 2 0 197.326 0.504 10 0 ACAERP C[C@H]1C[C@@](C[NH3+])(N(C)C)CC[N@@H+]1C 156207936 344082038 /nfs/dbraw/zinc/08/20/38/344082038.db2.gz MAOHETKURNSFGZ-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H]1C[C@](C[NH3+])(N(C)C)CC[N@@H+]1C 156208191 344082080 /nfs/dbraw/zinc/08/20/80/344082080.db2.gz MAOHETKURNSFGZ-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP CN[C@]1(C[NH3+])CC[N@H+](C)[C@H](C)C1 156319178 344082251 /nfs/dbraw/zinc/08/22/51/344082251.db2.gz IHDZEJCOVVTHNG-RKDXNWHRSA-N 2 0 171.288 0.017 10 0 ACAERP CN[C@]1(C[NH3+])CC[N@@H+]2CCC[C@@H]2C1 156319429 344082255 /nfs/dbraw/zinc/08/22/55/344082255.db2.gz VJHCJKLURBVPEO-NXEZZACHSA-N 2 0 183.299 0.162 10 0 ACAERP CCN[C@@]1(C[NH3+])CC[N@H+](C)[C@H](C)C1 156319857 344082278 /nfs/dbraw/zinc/08/22/78/344082278.db2.gz KKBCBFRBSPPKAY-ZJUUUORDSA-N 2 0 185.315 0.408 10 0 ACAERP C[C@@H]1C[C@@](C[NH3+])(NC2CC2)CC[N@@H+]1C 156321554 344082284 /nfs/dbraw/zinc/08/22/84/344082284.db2.gz FIZJAURWDLBNIE-KOLCDFICSA-N 2 0 197.326 0.550 10 0 ACAERP CC(C)N[C@]1(C[NH3+])CC[N@H+](C)[C@@H](C)C1 156321136 344082289 /nfs/dbraw/zinc/08/22/89/344082289.db2.gz ZBFIAQSONVMMPK-WDEREUQCSA-N 2 0 199.342 0.796 10 0 ACAERP CC(C)N[C@]1(C[NH3+])CC[N@H+](C)[C@H](C)C1 156321018 344082302 /nfs/dbraw/zinc/08/23/02/344082302.db2.gz ZBFIAQSONVMMPK-GHMZBOCLSA-N 2 0 199.342 0.796 10 0 ACAERP C[C@@H]1C[C@](C[NH3+])(NC2CC2)CC[N@@H+]1C 156321790 344082348 /nfs/dbraw/zinc/08/23/48/344082348.db2.gz FIZJAURWDLBNIE-MWLCHTKSSA-N 2 0 197.326 0.550 10 0 ACAERP CCN[C@]1(C[NH3+])CC[N@H+](C)[C@H](C)C1 156319721 344082456 /nfs/dbraw/zinc/08/24/56/344082456.db2.gz KKBCBFRBSPPKAY-NXEZZACHSA-N 2 0 185.315 0.408 10 0 ACAERP C[C@H]1C[C@@](C[NH3+])(NC2CC2)CC[N@@H+]1C 156321663 344082475 /nfs/dbraw/zinc/08/24/75/344082475.db2.gz FIZJAURWDLBNIE-ONGXEEELSA-N 2 0 197.326 0.550 10 0 ACAERP C[C@H]1C[C@](C[NH3+])(NC2CC2)CC[N@@H+]1C 156321934 344082592 /nfs/dbraw/zinc/08/25/92/344082592.db2.gz FIZJAURWDLBNIE-GXSJLCMTSA-N 2 0 197.326 0.550 10 0 ACAERP CC(C)N[C@@]1(C[NH3+])CC[N@H+](C)[C@H](C)C1 156320782 344082607 /nfs/dbraw/zinc/08/26/07/344082607.db2.gz ZBFIAQSONVMMPK-MNOVXSKESA-N 2 0 199.342 0.796 10 0 ACAERP CN[C@]1(C[NH3+])CC[N@H+](C)[C@@H](C)C1 156319296 344082621 /nfs/dbraw/zinc/08/26/21/344082621.db2.gz IHDZEJCOVVTHNG-DTWKUNHWSA-N 2 0 171.288 0.017 10 0 ACAERP CN[C@@]1(C[NH3+])CC[N@@H+]2CCC[C@@H]2C1 156319552 344082668 /nfs/dbraw/zinc/08/26/68/344082668.db2.gz VJHCJKLURBVPEO-ZJUUUORDSA-N 2 0 183.299 0.162 10 0 ACAERP CN[C@@]1(C[NH3+])CC[N@H+](C)[C@@H](C)C1 156319056 344082673 /nfs/dbraw/zinc/08/26/73/344082673.db2.gz IHDZEJCOVVTHNG-IUCAKERBSA-N 2 0 171.288 0.017 10 0 ACAERP CN[C@@]1(C[NH3+])CC[N@H+](C)[C@H](C)C1 156318921 344082734 /nfs/dbraw/zinc/08/27/34/344082734.db2.gz IHDZEJCOVVTHNG-BDAKNGLRSA-N 2 0 171.288 0.017 10 0 ACAERP CC(C)N[C@@]1(C[NH3+])CC[N@H+](C)[C@@H](C)C1 156320892 344082771 /nfs/dbraw/zinc/08/27/71/344082771.db2.gz ZBFIAQSONVMMPK-QWRGUYRKSA-N 2 0 199.342 0.796 10 0 ACAERP Nc1cc[nH+]cc1C[C@H](F)C[NH3+] 156344493 344083308 /nfs/dbraw/zinc/08/33/08/344083308.db2.gz YVHMCAVOJWMXJL-ZETCQYMHSA-N 2 0 169.203 0.503 10 0 ACAERP Nc1cc[nH+]cc1C[C@@H](F)C[NH3+] 156344609 344083457 /nfs/dbraw/zinc/08/34/57/344083457.db2.gz YVHMCAVOJWMXJL-SSDOTTSWSA-N 2 0 169.203 0.503 10 0 ACAERP [NH3+]C[C@H](F)[C@@H]1CCC[NH2+]1 156360142 344083661 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0.584 10 0 ACAERP CC[NH2+][C@@]1(CO)CC[N@@H+]2CCC[C@@H]2C1 156963278 344098427 /nfs/dbraw/zinc/09/84/27/344098427.db2.gz SAWYLOJQYFPDIZ-MNOVXSKESA-N 2 0 198.310 0.585 10 0 ACAERP C[C@@H]1C[C@](CO)([NH2+]C2CC2)CCN1C 156971977 344098437 /nfs/dbraw/zinc/09/84/37/344098437.db2.gz ADCAMRGGTHJWMY-MWLCHTKSSA-N 2 0 198.310 0.584 10 0 ACAERP C[NH2+][C@]1(CO)CCN(C)[C@@H](C)C1 156965720 344098441 /nfs/dbraw/zinc/09/84/41/344098441.db2.gz HAYPANDEAYXIFQ-DTWKUNHWSA-N 2 0 172.272 0.051 10 0 ACAERP C[NH2+][C@]1(CO)CCN(C)[C@H](C)C1 156965581 344098448 /nfs/dbraw/zinc/09/84/48/344098448.db2.gz HAYPANDEAYXIFQ-RKDXNWHRSA-N 2 0 172.272 0.051 10 0 ACAERP C[NH2+][C@@]1(CO)CCN(C)[C@@H](C)C1 156965448 344098513 /nfs/dbraw/zinc/09/85/13/344098513.db2.gz HAYPANDEAYXIFQ-IUCAKERBSA-N 2 0 172.272 0.051 10 0 ACAERP C[NH2+][C@@]1(CO)CCN(C)[C@H](C)C1 156965281 344098525 /nfs/dbraw/zinc/09/85/25/344098525.db2.gz HAYPANDEAYXIFQ-BDAKNGLRSA-N 2 0 172.272 0.051 10 0 ACAERP C[C@H](C[NH3+])[C@@]1(O)CC[N@@H+]2CCC[C@@H]2C1 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/nfs/dbraw/zinc/69/69/98/344696998.db2.gz FPTJYWHWGIYIQE-DTWKUNHWSA-N 2 0 168.284 0.984 10 0 ACAERP CC1(C)C[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 232963169 344698034 /nfs/dbraw/zinc/69/80/34/344698034.db2.gz FPTJYWHWGIYIQE-BDAKNGLRSA-N 2 0 168.284 0.984 10 0 ACAERP CC1(C[NH2+][C@@H]2CC[NH2+]C2)CCOCC1 233023611 344698719 /nfs/dbraw/zinc/69/87/19/344698719.db2.gz QKFKHWMWUJIBHM-SNVBAGLBSA-N 2 0 198.310 0.755 10 0 ACAERP CCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 233034726 344699081 /nfs/dbraw/zinc/69/90/81/344699081.db2.gz ZOTCWEZIVWSZKT-SFYZADRCSA-N 2 0 142.246 0.675 10 0 ACAERP CCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 233035068 344699235 /nfs/dbraw/zinc/69/92/35/344699235.db2.gz ZOTCWEZIVWSZKT-YUMQZZPRSA-N 2 0 142.246 0.675 10 0 ACAERP CC1(C[NH2+][C@H]2CC[NH2+]C2)CCOCC1 233030214 344699402 /nfs/dbraw/zinc/69/94/02/344699402.db2.gz QKFKHWMWUJIBHM-JTQLQIEISA-N 2 0 198.310 0.755 10 0 ACAERP CC[N@@H+]1CCN(C2(C[NH3+])CC2)C[C@@H]1C 233473930 344702116 /nfs/dbraw/zinc/70/21/16/344702116.db2.gz WJQMIOYNXUXHAD-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233466560 344702290 /nfs/dbraw/zinc/70/22/90/344702290.db2.gz DCPUZKBSPYCZHX-BDAKNGLRSA-N 2 0 156.273 0.794 10 0 ACAERP CC[NH2+]C[C@@H]1[NH2+]CCC[C@H]1C 233525537 344702566 /nfs/dbraw/zinc/70/25/66/344702566.db2.gz VXFMKRDZRRRWPP-BDAKNGLRSA-N 2 0 156.273 0.984 10 0 ACAERP CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 233510835 344702579 /nfs/dbraw/zinc/70/25/79/344702579.db2.gz XCTNWHAJJNNGGF-RKDXNWHRSA-N 2 0 156.273 0.984 10 0 ACAERP CC[NH2+]C[C@H]1[NH2+]CCC[C@H]1C 233520877 344702586 /nfs/dbraw/zinc/70/25/86/344702586.db2.gz VXFMKRDZRRRWPP-RKDXNWHRSA-N 2 0 156.273 0.984 10 0 ACAERP CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 233510827 344702626 /nfs/dbraw/zinc/70/26/26/344702626.db2.gz XCTNWHAJJNNGGF-DTWKUNHWSA-N 2 0 156.273 0.984 10 0 ACAERP CC[NH2+]C1(C[NH3+])CC1 233500647 344702646 /nfs/dbraw/zinc/70/26/46/344702646.db2.gz OOHKQTNXQBYZIU-UHFFFAOYSA-N 2 0 114.192 0.087 10 0 ACAERP CC[NH2+]C[C@H]1[NH2+]CCC[C@@H]1C 233520870 344702687 /nfs/dbraw/zinc/70/26/87/344702687.db2.gz VXFMKRDZRRRWPP-DTWKUNHWSA-N 2 0 156.273 0.984 10 0 ACAERP CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 233540669 344702979 /nfs/dbraw/zinc/70/29/79/344702979.db2.gz XCTNWHAJJNNGGF-IUCAKERBSA-N 2 0 156.273 0.984 10 0 ACAERP CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 233540689 344703071 /nfs/dbraw/zinc/70/30/71/344703071.db2.gz XCTNWHAJJNNGGF-BDAKNGLRSA-N 2 0 156.273 0.984 10 0 ACAERP CC[C@@](C)(C[NH3+])N1CC[N@H+](C)C[C@@H]1C 233960035 344708557 /nfs/dbraw/zinc/70/85/57/344708557.db2.gz JSFMBSCMQIOUHJ-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@@H]1C[C@@H]1[NH2+]C1CC([NH3+])C1 233948696 344708732 /nfs/dbraw/zinc/70/87/32/344708732.db2.gz DLFICDBVWYKWPZ-KHONBHQKSA-N 2 0 154.257 0.864 10 0 ACAERP CC[C@@H]1C[C@H]1[NH2+]C1CC([NH3+])C1 233948706 344708758 /nfs/dbraw/zinc/70/87/58/344708758.db2.gz DLFICDBVWYKWPZ-MDVIFZSFSA-N 2 0 154.257 0.864 10 0 ACAERP CC[C@H]([NH3+])CN1CCC[N@H+](C)C[C@@H]1C 234021291 344710372 /nfs/dbraw/zinc/71/03/72/344710372.db2.gz BQHMNBCPSQVNCF-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@H]1C[N@H+](C)CCCN1CC[NH3+] 234075263 344711569 /nfs/dbraw/zinc/71/15/69/344711569.db2.gz UBBQMVAAWMVSGI-JTQLQIEISA-N 2 0 185.315 0.361 10 0 ACAERP CC[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 234089827 344712155 /nfs/dbraw/zinc/71/21/55/344712155.db2.gz NORLKULNASMFKV-UTLUCORTSA-N 2 0 186.299 0.426 10 0 ACAERP CC[C@H]1C[C@H]1[NH2+]C1CC([NH3+])C1 234086159 344712200 /nfs/dbraw/zinc/71/22/00/344712200.db2.gz DLFICDBVWYKWPZ-DFAZKQQPSA-N 2 0 154.257 0.864 10 0 ACAERP CC[C@](C)(C[NH3+])N1CC[N@H+](C)C[C@@H]1C 234098901 344712442 /nfs/dbraw/zinc/71/24/42/344712442.db2.gz JSFMBSCMQIOUHJ-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP CC[C@H]1C[C@@H]1[NH2+]C1CC([NH3+])C1 234094735 344712549 /nfs/dbraw/zinc/71/25/49/344712549.db2.gz DLFICDBVWYKWPZ-KRTGUUSXSA-N 2 0 154.257 0.864 10 0 ACAERP C[NH+](C)[C@H]1CCN(C2(C[NH3+])CC2)C1 234239250 344715840 /nfs/dbraw/zinc/71/58/40/344715840.db2.gz ALCFWCXDNGYXLC-VIFPVBQESA-N 2 0 183.299 0.114 10 0 ACAERP C[NH+](C)C1CCN(C2(C[NH3+])CC2)CC1 234242126 344716004 /nfs/dbraw/zinc/71/60/04/344716004.db2.gz XKMDKVWBRXQOPE-UHFFFAOYSA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+](C)[C@@H]1CCCN(C2(C[NH3+])CC2)C1 234245041 344716109 /nfs/dbraw/zinc/71/61/09/344716109.db2.gz DFRPVYLXZXWYKN-SNVBAGLBSA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+](C)[C@@H]1CCN(C2(C[NH3+])CC2)C1 234263496 344716407 /nfs/dbraw/zinc/71/64/07/344716407.db2.gz ALCFWCXDNGYXLC-SECBINFHSA-N 2 0 183.299 0.114 10 0 ACAERP CN(C[C@@H]1CCCC[NH2+]1)C1=[NH+]CCN1 234299119 344716760 /nfs/dbraw/zinc/71/67/60/344716760.db2.gz SSKZYEATZIRSFP-VIFPVBQESA-N 2 0 196.298 0.020 10 0 ACAERP CN(C[C@H]1CCCC[NH2+]1)C1=[NH+]CCN1 234280968 344717018 /nfs/dbraw/zinc/71/70/18/344717018.db2.gz SSKZYEATZIRSFP-SECBINFHSA-N 2 0 196.298 0.020 10 0 ACAERP CN(C1CC[NH+](C)CC1)C1(C[NH3+])CC1 234322264 344717243 /nfs/dbraw/zinc/71/72/43/344717243.db2.gz IKGGWLJUDNYRJD-UHFFFAOYSA-N 2 0 197.326 0.504 10 0 ACAERP C[N@@H+]1CC[C@@H](Cn2cc[nH+]c2N)C1 234324019 344717298 /nfs/dbraw/zinc/71/72/98/344717298.db2.gz TYDSHPICWOWWKT-MRVPVSSYSA-N 2 0 180.255 0.417 10 0 ACAERP C[N@@H+]1CCCN(C2(C[NH3+])CC2)CC1 234347951 344717848 /nfs/dbraw/zinc/71/78/48/344717848.db2.gz FFMBBRGUOMWGNA-UHFFFAOYSA-N 2 0 183.299 0.115 10 0 ACAERP CNC(=[NH2+])N1CCC[N@H+](C)C[C@@H]1C 234342694 344718121 /nfs/dbraw/zinc/71/81/21/344718121.db2.gz NBTZCLDYKIZKRW-QMMMGPOBSA-N 2 0 184.287 0.167 10 0 ACAERP C[N@@H+]1CC[C@H](Cn2cc[nH+]c2N)C1 234354350 344718501 /nfs/dbraw/zinc/71/85/01/344718501.db2.gz TYDSHPICWOWWKT-QMMMGPOBSA-N 2 0 180.255 0.417 10 0 ACAERP CNC[C@H]1[NH2+]CCC[C@@H]1C 234371398 344719064 /nfs/dbraw/zinc/71/90/64/344719064.db2.gz WANFWXLGCUIVKS-JGVFFNPUSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH2+]C[C@H]1NCCCC1(C)C 234371377 344719266 /nfs/dbraw/zinc/71/92/66/344719266.db2.gz MYFWPAMOHWKTFL-MRVPVSSYSA-N 2 0 156.273 0.984 10 0 ACAERP C[NH2+]C[C@@H](C)N1CCC[N@H+](C)C[C@@H]1C 234361490 344719338 /nfs/dbraw/zinc/71/93/38/344719338.db2.gz JAHVKLJERJVRNL-MNOVXSKESA-N 2 0 199.342 0.620 10 0 ACAERP CNC[C@H]1[NH2+]CCC[C@H]1C 234371407 344719371 /nfs/dbraw/zinc/71/93/71/344719371.db2.gz WANFWXLGCUIVKS-HTQZYQBOSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH2+]C[C@@H]1CN(C2CC(C)C2)CCO1 234373647 344719421 /nfs/dbraw/zinc/71/94/21/344719421.db2.gz WHUWFHFUSUGFRV-VQXHTEKXSA-N 2 0 198.310 0.705 10 0 ACAERP C[NH2+]C[C@@]1(C(C)C)CC[NH2+]C1 234396420 344719520 /nfs/dbraw/zinc/71/95/20/344719520.db2.gz YUJTUJYWIODYBC-VIFPVBQESA-N 2 0 156.273 0.842 10 0 ACAERP C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 234404408 344719629 /nfs/dbraw/zinc/71/96/29/344719629.db2.gz YTMITLDDTHZPRO-HTQZYQBOSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 234404374 344719819 /nfs/dbraw/zinc/71/98/19/344719819.db2.gz YTMITLDDTHZPRO-JGVFFNPUSA-N 2 0 142.246 0.594 10 0 ACAERP C[NH2+]C[C@]1(C(C)C)CC[NH2+]C1 234396225 344719822 /nfs/dbraw/zinc/71/98/22/344719822.db2.gz YUJTUJYWIODYBC-SECBINFHSA-N 2 0 156.273 0.842 10 0 ACAERP C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 234396476 344719853 /nfs/dbraw/zinc/71/98/53/344719853.db2.gz YTMITLDDTHZPRO-SFYZADRCSA-N 2 0 142.246 0.594 10 0 ACAERP COC1CC([N@@H+]2CC[NH2+]C[C@H](C)C2)C1 234613020 344724066 /nfs/dbraw/zinc/72/40/66/344724066.db2.gz ZWMIBOMOMBHMAW-WHXUTIOJSA-N 2 0 198.310 0.705 10 0 ACAERP COC1CC([N@@H+]2CC[NH2+]C[C@@H](C)C2)C1 234612698 344724188 /nfs/dbraw/zinc/72/41/88/344724188.db2.gz ZWMIBOMOMBHMAW-KPPDAEKUSA-N 2 0 198.310 0.705 10 0 ACAERP COC1CC([N@@H+]2CCC[NH2+][C@@H](C)C2)C1 234609747 344724195 /nfs/dbraw/zinc/72/41/95/344724195.db2.gz WTUUTVJYDAXBJF-WHXUTIOJSA-N 2 0 198.310 0.848 10 0 ACAERP COC1CC([N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1 234618500 344724563 /nfs/dbraw/zinc/72/45/63/344724563.db2.gz MITZCKBGWUAMPL-IZUQBHJASA-N 2 0 198.310 0.833 10 0 ACAERP COC1CC([N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1 234619373 344724577 /nfs/dbraw/zinc/72/45/77/344724577.db2.gz MITZCKBGWUAMPL-SAAXCQNUSA-N 2 0 198.310 0.833 10 0 ACAERP COC1(C[NH+]2CCC([NH3+])CC2)CCC1 234653297 344724599 /nfs/dbraw/zinc/72/45/99/344724599.db2.gz RZFWMYHUDKBKHK-UHFFFAOYSA-N 2 0 198.310 0.979 10 0 ACAERP COC[C@H]1CCC[N@H+](CCC[NH3+])C1 234731173 344726146 /nfs/dbraw/zinc/72/61/46/344726146.db2.gz XHWNPORYQCQXPC-JTQLQIEISA-N 2 0 186.299 0.694 10 0 ACAERP COC[C@@H]1CCC[N@H+](CCC[NH3+])C1 234730031 344726225 /nfs/dbraw/zinc/72/62/25/344726225.db2.gz XHWNPORYQCQXPC-SNVBAGLBSA-N 2 0 186.299 0.694 10 0 ACAERP CO[C@@H]1CCC[C@@]([NH3+])(C[NH3+])C1 234756913 344726586 /nfs/dbraw/zinc/72/65/86/344726586.db2.gz YLSNXHPLKSHIPJ-SFYZADRCSA-N 2 0 158.245 0.232 10 0 ACAERP CO[C@H]1CCC[C@]([NH3+])(C[NH3+])C1 234770162 344726926 /nfs/dbraw/zinc/72/69/26/344726926.db2.gz YLSNXHPLKSHIPJ-JGVFFNPUSA-N 2 0 158.245 0.232 10 0 ACAERP CO[C@H]1CCC[C@@]([NH3+])(C[NH3+])C1 234788426 344727338 /nfs/dbraw/zinc/72/73/38/344727338.db2.gz YLSNXHPLKSHIPJ-YUMQZZPRSA-N 2 0 158.245 0.232 10 0 ACAERP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C1 234803795 344727744 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C[C@H]1C[N@@H+](C)CCCN1C[C@H](C)C[NH3+] 235454102 344750707 /nfs/dbraw/zinc/75/07/07/344750707.db2.gz RYGROBCBXHZWLX-MNOVXSKESA-N 2 0 199.342 0.607 10 0 ACAERP C[C@@H]1C[N@H+](C)CCN1CCC(C)(C)[NH3+] 235472688 344751064 /nfs/dbraw/zinc/75/10/64/344751064.db2.gz FLVVERDQGOXOKT-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@@H]1C[N@H+](C)CCN1CC1([NH3+])CCC1 235470924 344751206 /nfs/dbraw/zinc/75/12/06/344751206.db2.gz GCYPALJGCONTAQ-SNVBAGLBSA-N 2 0 197.326 0.504 10 0 ACAERP C[C@@H]1C[N@H+](C)CCN1CC1([NH3+])CC1 235470890 344751288 /nfs/dbraw/zinc/75/12/88/344751288.db2.gz YEWREGTXZBWMIN-SECBINFHSA-N 2 0 183.299 0.114 10 0 ACAERP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 235495268 344751588 /nfs/dbraw/zinc/75/15/88/344751588.db2.gz FLZCHWSUNZTYBS-UTLUCORTSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@H]([NH3+])CN1CCC[N@H+](C)C[C@@H]1C 235481888 344751600 /nfs/dbraw/zinc/75/16/00/344751600.db2.gz UUERFXAMHSYUBT-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP C[C@@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]1 235485283 344751651 /nfs/dbraw/zinc/75/16/51/344751651.db2.gz DPOFQWIMHDATDD-GHMZBOCLSA-N 2 0 197.326 0.374 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)N1CC[N@H+](C)C[C@@H]1C 235492260 344751695 /nfs/dbraw/zinc/75/16/95/344751695.db2.gz WUUXYLWAUOQCOY-LPEHRKFASA-N 2 0 185.315 0.358 10 0 ACAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 235495217 344751704 /nfs/dbraw/zinc/75/17/04/344751704.db2.gz RNCOWZBTPJOCJB-HRDYMLBCSA-N 2 0 172.272 0.036 10 0 ACAERP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 235494469 344751809 /nfs/dbraw/zinc/75/18/09/344751809.db2.gz FLZCHWSUNZTYBS-KXUCPTDWSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H](C)O)C1 235495874 344752107 /nfs/dbraw/zinc/75/21/07/344752107.db2.gz RNCOWZBTPJOCJB-VGMNWLOBSA-N 2 0 172.272 0.036 10 0 ACAERP C[C@H](O)C1CC[NH+](CCC[NH3+])CC1 235526304 344752528 /nfs/dbraw/zinc/75/25/28/344752528.db2.gz YAQWJXZWGBSZCD-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP C[C@H](O)C[N@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 235535647 344752943 /nfs/dbraw/zinc/75/29/43/344752943.db2.gz LNVMKUXAEQMKDW-GKDVJIACSA-N 2 0 198.310 0.582 10 0 ACAERP C[C@H](O)C1CC[NH+](C2CC([NH3+])C2)CC1 235542061 344753643 /nfs/dbraw/zinc/75/36/43/344753643.db2.gz OOALFHJHDUQBJQ-PUSIOWJLSA-N 2 0 198.310 0.569 10 0 ACAERP C[C@H]1CCC[N@@H+]1C1(C[NH3+])CC1 235556849 344754849 /nfs/dbraw/zinc/75/48/49/344754849.db2.gz JKDUCPXVXAHUNS-QMMMGPOBSA-N 2 0 154.257 0.962 10 0 ACAERP C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 235567991 344755779 /nfs/dbraw/zinc/75/57/79/344755779.db2.gz ZEHHPLAIVDMEIG-CIUDSAMLSA-N 2 0 172.272 0.036 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1C(C)(C)C[NH3+] 235572679 344756530 /nfs/dbraw/zinc/75/65/30/344756530.db2.gz JTAXZVYOEHIJIW-VIFPVBQESA-N 2 0 185.315 0.360 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1C1CC([NH3+])C1 235573416 344756537 /nfs/dbraw/zinc/75/65/37/344756537.db2.gz DNEPXMGPHJGZRY-IDKOKCKLSA-N 2 0 183.299 0.112 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1C1(C[NH3+])CC1 235573018 344756548 /nfs/dbraw/zinc/75/65/48/344756548.db2.gz XDOVEIIHJKTVAR-VIFPVBQESA-N 2 0 183.299 0.114 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1CC1([NH3+])CC1 235576923 344756935 /nfs/dbraw/zinc/75/69/35/344756935.db2.gz YEWREGTXZBWMIN-VIFPVBQESA-N 2 0 183.299 0.114 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1CC1([NH3+])CCC1 235576944 344757077 /nfs/dbraw/zinc/75/70/77/344757077.db2.gz GCYPALJGCONTAQ-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1CCC(C)(C)[NH3+] 235578372 344757087 /nfs/dbraw/zinc/75/70/87/344757087.db2.gz FLVVERDQGOXOKT-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP C[C@H]1C[N@H+](C)CCN1C[C@H]1CCC[NH2+]1 235594451 344758306 /nfs/dbraw/zinc/75/83/06/344758306.db2.gz DPOFQWIMHDATDD-WDEREUQCSA-N 2 0 197.326 0.374 10 0 ACAERP C[C@H]1OCC[C@@]1(C)[NH2+]CC1([NH3+])CC1 235595673 344758356 /nfs/dbraw/zinc/75/83/56/344758356.db2.gz RHIRLHYAAHHEME-RKDXNWHRSA-N 2 0 184.283 0.635 10 0 ACAERP C[C@H]1C[N@H+](C)CCCN1C1(C[NH3+])CC1 235607603 344759316 /nfs/dbraw/zinc/75/93/16/344759316.db2.gz RNJCHXZUGGATHY-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP C[C@H]1C[N@H+](C)CCCN1C(C)(C)C[NH3+] 235607094 344759363 /nfs/dbraw/zinc/75/93/63/344759363.db2.gz DWRLCVCLZIVUEY-JTQLQIEISA-N 2 0 199.342 0.750 10 0 ACAERP C[C@H]1CC[N@@H+](C2(C[NH3+])CC2)C1 235622992 344760065 /nfs/dbraw/zinc/76/00/65/344760065.db2.gz IRVBBRUAAFDJDG-QMMMGPOBSA-N 2 0 154.257 0.820 10 0 ACAERP C[C@H]1SCC[C@@]1([NH3+])C[NH3+] 235627533 344760529 /nfs/dbraw/zinc/76/05/29/344760529.db2.gz DWEVNDIWUVGHPQ-PHDIDXHHSA-N 2 0 146.259 0.168 10 0 ACAERP C[C@H]1OCC[C@]1(C)[NH2+]CC1([NH3+])CC1 235640498 344760986 /nfs/dbraw/zinc/76/09/86/344760986.db2.gz RHIRLHYAAHHEME-BDAKNGLRSA-N 2 0 184.283 0.635 10 0 ACAERP C[C@H]1CN(C2(C[NH3+])CC2)C[C@@H](C)[N@@H+]1C 235637953 344761101 /nfs/dbraw/zinc/76/11/01/344761101.db2.gz TTYJCBSQGUYFDS-AOOOYVTPSA-N 2 0 197.326 0.502 10 0 ACAERP C[C@H]1C[N@@H+](C2CCC2)C[C@@H]1[NH3+] 235639617 344761140 /nfs/dbraw/zinc/76/11/40/344761140.db2.gz YCHUMYVHHALVRB-CBAPKCEASA-N 2 0 154.257 0.818 10 0 ACAERP C[C@H]1CN(C2(C[NH3+])CC2)CC[N@@H+]1C 235637844 344761191 /nfs/dbraw/zinc/76/11/91/344761191.db2.gz ITPQIKSWXUDCSH-VIFPVBQESA-N 2 0 183.299 0.114 10 0 ACAERP C[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1[NH3+] 235640329 344761286 /nfs/dbraw/zinc/76/12/86/344761286.db2.gz PYKAXOTUCDDCKU-WPRPVWTQSA-N 2 0 184.283 0.444 10 0 ACAERP C[C@H]1C[N@H+](C)CCCN1C/C=C/C[NH3+] 235641472 344761306 /nfs/dbraw/zinc/76/13/06/344761306.db2.gz XMVGTTZTAOVAOU-UFFNRZRYSA-N 2 0 197.326 0.527 10 0 ACAERP C[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1[NH3+] 235669676 344762178 /nfs/dbraw/zinc/76/21/78/344762178.db2.gz HAAYZIKMEANKIR-ONGXEEELSA-N 2 0 198.310 0.692 10 0 ACAERP C[C@H]1C[N@H+](CC2CC2)C[C@@H]1[NH3+] 235668720 344762261 /nfs/dbraw/zinc/76/22/61/344762261.db2.gz DNEUKUDICURRHM-CBAPKCEASA-N 2 0 154.257 0.675 10 0 ACAERP C[C@H]1SCC[C@]1([NH3+])C[NH3+] 235671404 344762281 /nfs/dbraw/zinc/76/22/81/344762281.db2.gz DWEVNDIWUVGHPQ-RITPCOANSA-N 2 0 146.259 0.168 10 0 ACAERP C[C@H]1C[N@@H+](C)CCCN1[C@H](C)C(N)=[NH2+] 235679221 344762857 /nfs/dbraw/zinc/76/28/57/344762857.db2.gz LDOXLOWPQPMGMH-DTWKUNHWSA-N 2 0 198.314 0.337 10 0 ACAERP C[C@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CCO1 235692822 344763112 /nfs/dbraw/zinc/76/31/12/344763112.db2.gz GLYWMZYKHGTXJO-FMLYDFSMSA-N 2 0 184.283 0.633 10 0 ACAERP C[C@H]1CN(c2cc[nH+]cc2)C[C@@H]1[NH3+] 235691994 344763196 /nfs/dbraw/zinc/76/31/96/344763196.db2.gz DXDXSTGWFOIUCW-WPRPVWTQSA-N 2 0 177.251 0.865 10 0 ACAERP C[C@H]1C[C@H]([NH+]2CC=CC2)CC[NH2+]1 235698089 344763707 /nfs/dbraw/zinc/76/37/07/344763707.db2.gz JMZGRIDHOFAFQK-VHSXEESVSA-N 2 0 166.268 0.999 10 0 ACAERP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCO2)C1 235707534 344764110 /nfs/dbraw/zinc/76/41/10/344764110.db2.gz URZICWANNFCJKA-WDEREUQCSA-N 2 0 198.310 0.836 10 0 ACAERP C[C@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CCO1 235733694 344764659 /nfs/dbraw/zinc/76/46/59/344764659.db2.gz GLYWMZYKHGTXJO-QGVKSAJWSA-N 2 0 184.283 0.633 10 0 ACAERP C[C@]1([NH2+]C[C@@H]2CC[NH2+]C2)CCCOC1 235731384 344764716 /nfs/dbraw/zinc/76/47/16/344764716.db2.gz SUMIJXPNJXAUSX-MNOVXSKESA-N 2 0 198.310 0.755 10 0 ACAERP C[C@]1([NH2+]C[C@H]2CC[NH2+]C2)CCCOC1 235734032 344764741 /nfs/dbraw/zinc/76/47/41/344764741.db2.gz SUMIJXPNJXAUSX-QWRGUYRKSA-N 2 0 198.310 0.755 10 0 ACAERP C[C@H]1C[C@@H]([NH+]2CC=CC2)CC[NH2+]1 235736822 344764856 /nfs/dbraw/zinc/76/48/56/344764856.db2.gz JMZGRIDHOFAFQK-UWVGGRQHSA-N 2 0 166.268 0.999 10 0 ACAERP C[C@]1([NH2+]CC2C[NH2+]C2)CCCOC1 235727043 344764997 /nfs/dbraw/zinc/76/49/97/344764997.db2.gz ZNHVLHGLHZEFBF-JTQLQIEISA-N 2 0 184.283 0.365 10 0 ACAERP C[NH+](C)[C@H]1CC12CC[NH2+]CC2 238297675 344799472 /nfs/dbraw/zinc/79/94/72/344799472.db2.gz CQTJFAGTBUOXPM-QMMMGPOBSA-N 2 0 154.257 0.690 10 0 ACAERP Cn1cc[nH+]c1NCC1([NH3+])CCC1 236079142 344772401 /nfs/dbraw/zinc/77/24/01/344772401.db2.gz LNXYYKVRVKVLHH-UHFFFAOYSA-N 2 0 180.255 0.713 10 0 ACAERP [NH3+]CC1(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 236171354 344776330 /nfs/dbraw/zinc/77/63/30/344776330.db2.gz NBEDFXWXMFWKDI-SNVBAGLBSA-N 2 0 195.310 0.258 10 0 ACAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 236203219 344777454 /nfs/dbraw/zinc/77/74/54/344777454.db2.gz QUTGBJQCYXOYPY-ILDUYXDCSA-N 3 0 197.326 0.598 10 0 ACAERP [NH3+]C1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 236203485 344777568 /nfs/dbraw/zinc/77/75/68/344777568.db2.gz QUTGBJQCYXOYPY-VQXHTEKXSA-N 3 0 197.326 0.598 10 0 ACAERP [NH3+]CC1(N2CCCCC2)CC1 236216516 344777809 /nfs/dbraw/zinc/77/78/09/344777809.db2.gz RWEIFRAHRBYCRM-UHFFFAOYSA-N 2 0 154.257 0.964 10 0 ACAERP [NH3+]CC1(N2CCCOCC2)CC1 236216927 344777849 /nfs/dbraw/zinc/77/78/49/344777849.db2.gz JMRGSPOUQKJLDP-UHFFFAOYSA-N 2 0 170.256 0.200 10 0 ACAERP [NH3+]CC1(N2CCCSCC2)CC1 236217065 344777958 /nfs/dbraw/zinc/77/79/58/344777958.db2.gz YQCQILZIIGPSGC-UHFFFAOYSA-N 2 0 186.324 0.917 10 0 ACAERP [NH3+]CC1(N2CCSCC2)CC1 236217395 344777972 /nfs/dbraw/zinc/77/79/72/344777972.db2.gz GPNYGEIMZYJUCX-UHFFFAOYSA-N 2 0 172.297 0.527 10 0 ACAERP [NH3+]CC1([NH2+]C2CC2)CC1 236226047 344778196 /nfs/dbraw/zinc/77/81/96/344778196.db2.gz PSZCFQAHWLYMIK-UHFFFAOYSA-N 2 0 126.203 0.230 10 0 ACAERP O[C@H]([C@@H]1CCCCC[NH2+]1)[C@@H]1CCC[NH2+]1 236544319 344788346 /nfs/dbraw/zinc/78/83/46/344788346.db2.gz ICFKMRSKNGRQPF-GARJFASQSA-N 2 0 198.310 0.632 10 0 ACAERP O[C@H]([C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 236544824 344788437 /nfs/dbraw/zinc/78/84/37/344788437.db2.gz BTOHPHQYPYKFQI-LPEHRKFASA-N 2 0 184.283 0.241 10 0 ACAERP O[C@H]([C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 236544968 344788443 /nfs/dbraw/zinc/78/84/43/344788443.db2.gz BTOHPHQYPYKFQI-IVZWLZJFSA-N 2 0 184.283 0.241 10 0 ACAERP C1C[C@]2(C[NH2+]1)C[NH+]1CCC2CC1 238125128 344793492 /nfs/dbraw/zinc/79/34/92/344793492.db2.gz FTSWHPVQWVRWIA-JTQLQIEISA-N 2 0 166.268 0.692 10 0 ACAERP C1C[C@@]2(C[NH2+]1)C[NH+]1CCC2CC1 238119742 344793610 /nfs/dbraw/zinc/79/36/10/344793610.db2.gz FTSWHPVQWVRWIA-SNVBAGLBSA-N 2 0 166.268 0.692 10 0 ACAERP CC(C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 238154058 344794092 /nfs/dbraw/zinc/79/40/92/344794092.db2.gz IUMKOIZNEJJDEH-RKDXNWHRSA-N 2 0 156.273 0.982 10 0 ACAERP CC(C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 238154354 344794627 /nfs/dbraw/zinc/79/46/27/344794627.db2.gz IUMKOIZNEJJDEH-BDAKNGLRSA-N 2 0 156.273 0.982 10 0 ACAERP CC(C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 238200678 344795921 /nfs/dbraw/zinc/79/59/21/344795921.db2.gz IUMKOIZNEJJDEH-DTWKUNHWSA-N 2 0 156.273 0.982 10 0 ACAERP CC(C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 238200974 344795994 /nfs/dbraw/zinc/79/59/94/344795994.db2.gz IUMKOIZNEJJDEH-IUCAKERBSA-N 2 0 156.273 0.982 10 0 ACAERP CC[N@H+](C)C[C@@]1(O)CCC[NH2+]C1 238238066 344796616 /nfs/dbraw/zinc/79/66/16/344796616.db2.gz VMFZOOUQWPJAAE-SECBINFHSA-N 2 0 172.272 0.053 10 0 ACAERP CC[N@H+](C)C[C@]1(O)CCC[NH2+]C1 238238206 344796665 /nfs/dbraw/zinc/79/66/65/344796665.db2.gz VMFZOOUQWPJAAE-VIFPVBQESA-N 2 0 172.272 0.053 10 0 ACAERP CC[NH+](CC)CCNC1=[NH+]CCCN1 238243237 344797027 /nfs/dbraw/zinc/79/70/27/344797027.db2.gz NMTVXUFGAJSREH-UHFFFAOYSA-N 2 0 198.314 0.267 10 0 ACAERP CC[N@@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238252444 344797458 /nfs/dbraw/zinc/79/74/58/344797458.db2.gz OHRIKUCGBZJCND-AYMMMOKOSA-N 2 0 154.257 0.960 10 0 ACAERP C[NH+](C)[C@@H]1CC12CC[NH2+]CC2 238287763 344798931 /nfs/dbraw/zinc/79/89/31/344798931.db2.gz CQTJFAGTBUOXPM-MRVPVSSYSA-N 2 0 154.257 0.690 10 0 ACAERP C[NH+](C)CC1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 238293466 344799512 /nfs/dbraw/zinc/79/95/12/344799512.db2.gz KVUDGGUAUPKKDF-ULKQDVFKSA-N 2 0 184.283 0.194 10 0 ACAERP C[NH+](C)[C@H]1C[C@@H]2CC[C@H](C1)[NH2+]2 238300420 344799575 /nfs/dbraw/zinc/79/95/75/344799575.db2.gz AGVVQOUIPIRGNQ-AYMMMOKOSA-N 2 0 154.257 0.831 10 0 ACAERP C[NH+](C)C/C=C1/CNC(=[NH2+])S1 238320991 344800607 /nfs/dbraw/zinc/80/06/07/344800607.db2.gz PATUTRKEMOEBPJ-UTCJRWHESA-N 2 0 171.269 0.493 10 0 ACAERP C[NH+](C)C[C@H]1C[C@H]([NH3+])C1 238327099 344800847 /nfs/dbraw/zinc/80/08/47/344800847.db2.gz MHDLYGZGESVSMA-KNVOCYPGSA-N 2 0 128.219 0.285 10 0 ACAERP CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](C)C1 238323924 344801028 /nfs/dbraw/zinc/80/10/28/344801028.db2.gz AUMNAAUGZOCXRY-GHMZBOCLSA-N 2 0 197.326 0.232 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]([NH3+])C1 238347337 344802267 /nfs/dbraw/zinc/80/22/67/344802267.db2.gz WOETUMXUPRVSCM-GHMZBOCLSA-N 2 0 197.326 0.504 10 0 ACAERP C[N@@H+]1CCC[C@H]1CCN1CC[C@@H]([NH3+])C1 238351945 344802887 /nfs/dbraw/zinc/80/28/87/344802887.db2.gz WOETUMXUPRVSCM-MNOVXSKESA-N 2 0 197.326 0.504 10 0 ACAERP C[C@@H](C1CC[NH2+]CC1)[NH+]1CC(O)C1 238367278 344803417 /nfs/dbraw/zinc/80/34/17/344803417.db2.gz LGWWLLJOSIMZED-QMMMGPOBSA-N 2 0 184.283 0.051 10 0 ACAERP COc1cc(C)c(C[NH3+])cc1C[NH3+] 238366908 344803587 /nfs/dbraw/zinc/80/35/87/344803587.db2.gz MTURXKHNJVEPIH-UHFFFAOYSA-N 2 0 180.251 0.921 10 0 ACAERP COc1cc(OC)c(C[NH3+])cc1C[NH3+] 238404770 344805646 /nfs/dbraw/zinc/80/56/46/344805646.db2.gz YKWGDQCAOLOVDM-UHFFFAOYSA-N 2 0 196.250 0.621 10 0 ACAERP C[C@H](CO)[N@@H+]1CCC[C@@H](C[NH3+])C1 238433061 344806287 /nfs/dbraw/zinc/80/62/87/344806287.db2.gz AFVFSXSWNWQNAD-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP [NH3+]C[C@H]1CC[C@@H]([NH3+])CC1 238558325 344812833 /nfs/dbraw/zinc/81/28/33/344812833.db2.gz RRCZRUXYTNNVBQ-LJGSYFOKSA-N 2 0 128.219 0.463 10 0 ACAERP NC[C@@H]1CCC[N@@H+]1[C@H]1CCSC1 238559612 344812844 /nfs/dbraw/zinc/81/28/44/344812844.db2.gz HWHLBYQWYMVZFW-IUCAKERBSA-N 2 0 186.324 0.915 10 0 ACAERP [NH3+]C[C@@H]1CCCN1C[C@H]1CCCCO1 238559370 344812880 /nfs/dbraw/zinc/81/28/80/344812880.db2.gz BFOZCHLNMVJODD-WDEREUQCSA-N 2 0 198.310 0.979 10 0 ACAERP NC[C@@H]1CCC[N@@H+]1C[C@H]1CCOC1 238559403 344813043 /nfs/dbraw/zinc/81/30/43/344813043.db2.gz DCCJSMGAYJVNOY-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP NC(=[NH2+])NC[C@@H]1CCCCC[NH2+]1 238586679 344814573 /nfs/dbraw/zinc/81/45/73/344814573.db2.gz XUBMXJXWOIMYRQ-ZETCQYMHSA-N 2 0 170.260 0.002 10 0 ACAERP NC(=[NH2+])NC[C@H]1CCCCC[NH2+]1 238587139 344814776 /nfs/dbraw/zinc/81/47/76/344814776.db2.gz XUBMXJXWOIMYRQ-SSDOTTSWSA-N 2 0 170.260 0.002 10 0 ACAERP [NH3+]CC1(O)CC[NH+](CC2CC2)CC1 238619930 344816151 /nfs/dbraw/zinc/81/61/51/344816151.db2.gz ZTDIHYABIZIEMG-UHFFFAOYSA-N 2 0 184.283 0.182 10 0 ACAERP O[C@@H](C[NH+]1CCC1)C1CC[NH2+]CC1 238679403 344818678 /nfs/dbraw/zinc/81/86/78/344818678.db2.gz JJJLIFPCOSAHOT-JTQLQIEISA-N 2 0 184.283 0.053 10 0 ACAERP O[C@H](C[NH+]1CCCC1)C1CC[NH2+]CC1 238706646 344820588 /nfs/dbraw/zinc/82/05/88/344820588.db2.gz DAZDIHBUHVDJEM-LLVKDONJSA-N 2 0 198.310 0.443 10 0 ACAERP O[C@H](C[NH+]1CCC1)C1CC[NH2+]CC1 238706596 344820618 /nfs/dbraw/zinc/82/06/18/344820618.db2.gz JJJLIFPCOSAHOT-SNVBAGLBSA-N 2 0 184.283 0.053 10 0 ACAERP CC(C)[C@@H](O)C[NH+]1CCC([NH3+])CC1 238792581 344822619 /nfs/dbraw/zinc/82/26/19/344822619.db2.gz XKNODPFCXDROHF-JTQLQIEISA-N 2 0 186.299 0.426 10 0 ACAERP NCC[N@@H+]1CC[C@@]2(CC[C@H]([NH3+])C2)C1 247755863 344826686 /nfs/dbraw/zinc/82/66/86/344826686.db2.gz WHTJZTHBOLIBIP-VHSXEESVSA-N 2 0 183.299 0.148 10 0 ACAERP [NH3+]CCN1CC[C@]2(CC[C@H](C[NH3+])C2)C1 247751609 344826720 /nfs/dbraw/zinc/82/67/20/344826720.db2.gz SZDJRKZHNJBZTG-QWRGUYRKSA-N 2 0 197.326 0.396 10 0 ACAERP [NH3+]CCN1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 247751612 344826733 /nfs/dbraw/zinc/82/67/33/344826733.db2.gz SZDJRKZHNJBZTG-WDEREUQCSA-N 2 0 197.326 0.396 10 0 ACAERP NCC[N@@H+]1CC[C@]2(CC[C@H]([NH3+])C2)C1 247755862 344826741 /nfs/dbraw/zinc/82/67/41/344826741.db2.gz WHTJZTHBOLIBIP-UWVGGRQHSA-N 2 0 183.299 0.148 10 0 ACAERP C[NH2+]CCN1CCC[N@@H+]2CCC[C@H]2C1 249848386 344827738 /nfs/dbraw/zinc/82/77/38/344827738.db2.gz HCSXFQSORMBSQI-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP C[NH2+]CCN1CC[N@@H+]2CCCC[C@H]2C1 249844543 344827875 /nfs/dbraw/zinc/82/78/75/344827875.db2.gz BBXIPYPSYDMONT-NSHDSACASA-N 2 0 197.326 0.376 10 0 ACAERP CC[N@H+](C)C[C@H]1C[NH2+]C[C@H]1C 249889292 344827965 /nfs/dbraw/zinc/82/79/65/344827965.db2.gz DCPUZKBSPYCZHX-RKDXNWHRSA-N 2 0 156.273 0.794 10 0 ACAERP CN(CC[NH3+])[C@@H]1CC[N@@H+]2CCC[C@H]2C1 249965760 344828376 /nfs/dbraw/zinc/82/83/76/344828376.db2.gz FWBCKXNBFKDBDA-MNOVXSKESA-N 2 0 197.326 0.504 10 0 ACAERP CN(CC[NH3+])[C@H]1CC[N@@H+]2CCC[C@H]2C1 249965764 344828492 /nfs/dbraw/zinc/82/84/92/344828492.db2.gz FWBCKXNBFKDBDA-QWRGUYRKSA-N 2 0 197.326 0.504 10 0 ACAERP CC[NH+](CC)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 249921612 344828566 /nfs/dbraw/zinc/82/85/66/344828566.db2.gz AWDGBOBULNTYDE-BRPSZJMVSA-N 2 0 154.257 0.546 10 0 ACAERP CC[N@H+](C)[C@H](C)[C@H](C)[NH3+] 249992417 344829313 /nfs/dbraw/zinc/82/93/13/344829313.db2.gz NDOJHIGLENTCPB-NKWVEPMBSA-N 2 0 130.235 0.674 10 0 ACAERP CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 250072555 344829418 /nfs/dbraw/zinc/82/94/18/344829418.db2.gz ZGTXLPWOOSVEHG-GUBZILKMSA-N 2 0 168.284 0.936 10 0 ACAERP CC[N@H+](C)[C@@H](C)[C@H](C)[NH3+] 249992412 344829448 /nfs/dbraw/zinc/82/94/48/344829448.db2.gz NDOJHIGLENTCPB-BQBZGAKWSA-N 2 0 130.235 0.674 10 0 ACAERP CC[N@H+](C)[C@H]1CC[C@H]1C[NH3+] 250100698 344829948 /nfs/dbraw/zinc/82/99/48/344829948.db2.gz YYJJDMINFJXHDA-YUMQZZPRSA-N 2 0 142.246 0.675 10 0 ACAERP CC[N@H+](C)[C@@H]1CCC[C@H]1[NH3+] 250078961 344829954 /nfs/dbraw/zinc/82/99/54/344829954.db2.gz UBFIOYHIGAXFAD-HTQZYQBOSA-N 2 0 142.246 0.818 10 0 ACAERP CCC[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 250073266 344830095 /nfs/dbraw/zinc/83/00/95/344830095.db2.gz ZGTXLPWOOSVEHG-UTLUCORTSA-N 2 0 168.284 0.936 10 0 ACAERP CC[N@H+](C)[C@H]1CC[NH2+]C[C@H]1C 250074754 344830102 /nfs/dbraw/zinc/83/01/02/344830102.db2.gz SLSHCBZTCHUXAS-BDAKNGLRSA-N 2 0 156.273 0.936 10 0 ACAERP CCN([C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH2+]C1 250089942 344830119 /nfs/dbraw/zinc/83/01/19/344830119.db2.gz WNGXCGIXTWZAOY-MNOVXSKESA-N 2 0 197.326 0.374 10 0 ACAERP CCN([C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](C)C1 250089947 344830131 /nfs/dbraw/zinc/83/01/31/344830131.db2.gz WNGXCGIXTWZAOY-QWRGUYRKSA-N 2 0 197.326 0.374 10 0 ACAERP CCN([C@H]1CCCOC1)[C@@H]1CC[NH2+]C1 250079917 344830162 /nfs/dbraw/zinc/83/01/62/344830162.db2.gz UERGRPBYNUWTFR-MNOVXSKESA-N 2 0 198.310 0.849 10 0 ACAERP COCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 250163303 344830581 /nfs/dbraw/zinc/83/05/81/344830581.db2.gz GBRWLNGNOWFRBD-WDEREUQCSA-N 2 0 198.310 0.707 10 0 ACAERP CC[N@@H+]1CCN(C(C)(C)C[NH3+])C[C@H]1C 250215313 344830687 /nfs/dbraw/zinc/83/06/87/344830687.db2.gz DCEKYAGGTMPBLK-SNVBAGLBSA-N 2 0 199.342 0.750 10 0 ACAERP CC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 250233641 344831129 /nfs/dbraw/zinc/83/11/29/344831129.db2.gz GLTONSGDKUVRCW-IUCAKERBSA-N 2 0 154.257 0.548 10 0 ACAERP CC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 250244232 344831133 /nfs/dbraw/zinc/83/11/33/344831133.db2.gz HTRGBGWMLMLVNT-HTQZYQBOSA-N 2 0 142.246 0.818 10 0 ACAERP CC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 250244238 344831148 /nfs/dbraw/zinc/83/11/48/344831148.db2.gz HTRGBGWMLMLVNT-SFYZADRCSA-N 2 0 142.246 0.818 10 0 ACAERP CC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 250257206 344831253 /nfs/dbraw/zinc/83/12/53/344831253.db2.gz JGPFTENBHPLVNZ-HTQZYQBOSA-N 2 0 142.246 0.818 10 0 ACAERP C[NH+](C)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 250339600 344831608 /nfs/dbraw/zinc/83/16/08/344831608.db2.gz BSCPBQADVRMGGK-QWRGUYRKSA-N 2 0 197.326 0.374 10 0 ACAERP CC[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 250314879 344831619 /nfs/dbraw/zinc/83/16/19/344831619.db2.gz MISIOWVQOKRPQS-VGMNWLOBSA-N 2 0 154.257 0.546 10 0 ACAERP C[NH+](C)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 250339605 344831627 /nfs/dbraw/zinc/83/16/27/344831627.db2.gz BSCPBQADVRMGGK-WDEREUQCSA-N 2 0 197.326 0.374 10 0 ACAERP CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 250314877 344831638 /nfs/dbraw/zinc/83/16/38/344831638.db2.gz MISIOWVQOKRPQS-HRDYMLBCSA-N 2 0 154.257 0.546 10 0 ACAERP CN(C)[C@@]1(C[NH3+])CC[N@@H+]2CCC[C@H]2C1 250343730 344832063 /nfs/dbraw/zinc/83/20/63/344832063.db2.gz DUMDEWGMVYGPED-QWRGUYRKSA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+](C)C[C@@H]1CCCN1[C@H]1CC[NH2+]C1 250347343 344832107 /nfs/dbraw/zinc/83/21/07/344832107.db2.gz HIPOGYFKISZUEK-QWRGUYRKSA-N 2 0 197.326 0.374 10 0 ACAERP C[NH+](C)[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 250348243 344832164 /nfs/dbraw/zinc/83/21/64/344832164.db2.gz ICBJDWJKBAUZIE-QWRGUYRKSA-N 2 0 197.326 0.232 10 0 ACAERP CC[N@@H+]1CCN([C@H](C)C[NH3+])C[C@@H]1C 250355489 344832184 /nfs/dbraw/zinc/83/21/84/344832184.db2.gz SBDSGGSZLXFWHX-ZJUUUORDSA-N 2 0 185.315 0.360 10 0 ACAERP CN(C)[C@]1(C[NH3+])CC[N@@H+]2CCC[C@H]2C1 250343732 344832238 /nfs/dbraw/zinc/83/22/38/344832238.db2.gz DUMDEWGMVYGPED-WDEREUQCSA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+](C)[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 250348248 344832241 /nfs/dbraw/zinc/83/22/41/344832241.db2.gz ICBJDWJKBAUZIE-WDEREUQCSA-N 2 0 197.326 0.232 10 0 ACAERP C[NH+](C)C[C@H]1CCCN1[C@H]1CC[NH2+]C1 250347347 344832285 /nfs/dbraw/zinc/83/22/85/344832285.db2.gz HIPOGYFKISZUEK-WDEREUQCSA-N 2 0 197.326 0.374 10 0 ACAERP CC[N@@H+]1CCN([C@H](C)C[NH3+])C[C@H]1C 250355483 344832287 /nfs/dbraw/zinc/83/22/87/344832287.db2.gz SBDSGGSZLXFWHX-NXEZZACHSA-N 2 0 185.315 0.360 10 0 ACAERP C[NH+](C)[C@H]1CCN([C@H]2CCC[NH2+]C2)C1 250364585 344832572 /nfs/dbraw/zinc/83/25/72/344832572.db2.gz WTTWGUZPXKYWKW-QWRGUYRKSA-N 2 0 197.326 0.374 10 0 ACAERP C[NH+](C)[C@@H]1CCN([C@H]2CC[C@@H]2C[NH3+])C1 250365556 344832706 /nfs/dbraw/zinc/83/27/06/344832706.db2.gz XONQMTQMSIMQTC-MXWKQRLJSA-N 2 0 197.326 0.360 10 0 ACAERP C[N@H+](C1CC1)[C@@H]1CC[C@H]1C[NH3+] 250366184 344832746 /nfs/dbraw/zinc/83/27/46/344832746.db2.gz GBOIQVVOBUWADZ-IONNQARKSA-N 2 0 154.257 0.818 10 0 ACAERP C[NH+](C)[C@@H]1CCN([C@H]2CC[C@H]2C[NH3+])C1 250365550 344832757 /nfs/dbraw/zinc/83/27/57/344832757.db2.gz XONQMTQMSIMQTC-AXFHLTTASA-N 2 0 197.326 0.360 10 0 ACAERP CC[N@@H+]1CCCN([C@H](C)C[NH3+])CC1 250366683 344832827 /nfs/dbraw/zinc/83/28/27/344832827.db2.gz UYGGTNPWHOPBMK-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP C[N@H+](C1CC1)[C@H]1CC[C@H]1C[NH3+] 250366183 344832834 /nfs/dbraw/zinc/83/28/34/344832834.db2.gz GBOIQVVOBUWADZ-CBAPKCEASA-N 2 0 154.257 0.818 10 0 ACAERP C[N@@H+]([C@H]1CCC[NH2+]CC1)[C@H]1CCOC1 250364848 344832845 /nfs/dbraw/zinc/83/28/45/344832845.db2.gz FPKZKCNXCIDLCJ-QWRGUYRKSA-N 2 0 198.310 0.849 10 0 ACAERP C[N@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)[C@H]1CCOC1 250404646 344833226 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/nfs/dbraw/zinc/97/74/13/344977413.db2.gz BDYHFKCVLNOUHV-LPEHRKFASA-N 2 0 184.283 0.587 10 0 ACAERP C[C@]1(N2CC[C@H]([NH3+])C2)CCCOC1 300366856 344977739 /nfs/dbraw/zinc/97/77/39/344977739.db2.gz XXFDHLBTUQXWRA-UWVGGRQHSA-N 2 0 184.283 0.589 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+]C1 300369352 344977778 /nfs/dbraw/zinc/97/77/78/344977778.db2.gz XPYQBYMPNSXHDJ-UWVGGRQHSA-N 2 0 183.299 0.032 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CN1CC[C@H](C[NH3+])C1 300368877 344977784 /nfs/dbraw/zinc/97/77/84/344977784.db2.gz UZZSFFFISUCYMU-GHMZBOCLSA-N 2 0 197.326 0.361 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CN1CCC[C@H]([NH3+])C1 300368490 344977813 /nfs/dbraw/zinc/97/78/13/344977813.db2.gz RDNNEMDFMBZQHX-WDEREUQCSA-N 2 0 197.326 0.504 10 0 ACAERP C[C@@]1(N2CC[C@H]([NH3+])C2)CCCOC1 300366857 344977818 /nfs/dbraw/zinc/97/78/18/344977818.db2.gz XXFDHLBTUQXWRA-VHSXEESVSA-N 2 0 184.283 0.589 10 0 ACAERP C[NH2+][C@@H]1CCN(C[C@H]2CCC[N@@H+]2C)C1 300368858 344977881 /nfs/dbraw/zinc/97/78/81/344977881.db2.gz UTAOUNILMRNCHM-GHMZBOCLSA-N 2 0 197.326 0.374 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CN1CC[C@H]([NH3+])C1 300366339 344977946 /nfs/dbraw/zinc/97/79/46/344977946.db2.gz CBQSWODUHGRUTL-VHSXEESVSA-N 2 0 183.299 0.114 10 0 ACAERP COC1CC([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 300366648 344977960 /nfs/dbraw/zinc/97/79/60/344977960.db2.gz LMXQRRRTOSEZPZ-SFXRXQKFSA-N 2 0 198.310 0.833 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN1CC[C@H]([NH3+])C1 300366338 344977974 /nfs/dbraw/zinc/97/79/74/344977974.db2.gz CBQSWODUHGRUTL-UWVGGRQHSA-N 2 0 183.299 0.114 10 0 ACAERP C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH2+]C1 300369353 344978008 /nfs/dbraw/zinc/97/80/08/344978008.db2.gz XPYQBYMPNSXHDJ-VHSXEESVSA-N 2 0 183.299 0.032 10 0 ACAERP COC1CC([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 300366647 344978015 /nfs/dbraw/zinc/97/80/15/344978015.db2.gz LMXQRRRTOSEZPZ-AGVGLQIMSA-N 2 0 198.310 0.833 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN1CCC[C@H]([NH3+])C1 300368487 344978046 /nfs/dbraw/zinc/97/80/46/344978046.db2.gz RDNNEMDFMBZQHX-QWRGUYRKSA-N 2 0 197.326 0.504 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN1CC[C@H](C[NH3+])C1 300368879 344978055 /nfs/dbraw/zinc/97/80/55/344978055.db2.gz UZZSFFFISUCYMU-MNOVXSKESA-N 2 0 197.326 0.361 10 0 ACAERP C[C@@H]1OCC[C@]1(C)[NH2+]CC1([NH3+])CC1 300377827 344979442 /nfs/dbraw/zinc/97/94/42/344979442.db2.gz RHIRLHYAAHHEME-IUCAKERBSA-N 2 0 184.283 0.635 10 0 ACAERP CC1(C)C[C@H]1CNC(=[NH2+])NC(N)=[NH2+] 300377715 344979675 /nfs/dbraw/zinc/97/96/75/344979675.db2.gz FZPMHVVSNVWGLY-YFKPBYRVSA-N 2 0 183.259 0.040 10 0 ACAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 300386065 344980593 /nfs/dbraw/zinc/98/05/93/344980593.db2.gz RHIWLNFVWCNCGV-GMTAPVOTSA-N 2 0 198.310 0.896 10 0 ACAERP CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1 300387887 344980649 /nfs/dbraw/zinc/98/06/49/344980649.db2.gz NIOKNSWZWGJMNN-GMTAPVOTSA-N 2 0 198.310 0.835 10 0 ACAERP CO[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1 300387888 344980705 /nfs/dbraw/zinc/98/07/05/344980705.db2.gz NIOKNSWZWGJMNN-OUAUKWLOSA-N 2 0 198.310 0.835 10 0 ACAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)CCO1 300386066 344980965 /nfs/dbraw/zinc/98/09/65/344980965.db2.gz RHIWLNFVWCNCGV-OUAUKWLOSA-N 2 0 198.310 0.896 10 0 ACAERP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1 300392683 344981603 /nfs/dbraw/zinc/98/16/03/344981603.db2.gz VUHSBYNSGNXODG-GARJFASQSA-N 2 0 198.310 0.977 10 0 ACAERP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)C1 300392684 344981690 /nfs/dbraw/zinc/98/16/90/344981690.db2.gz VUHSBYNSGNXODG-HBNTYKKESA-N 2 0 198.310 0.977 10 0 ACAERP CC[C@H]1CN(CC[NH3+])CCCO1 300755365 344989632 /nfs/dbraw/zinc/98/96/32/344989632.db2.gz JPABEPKGYUDTDM-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CC[C@@H]1CN(CC[NH3+])CCCO1 300755364 344989702 /nfs/dbraw/zinc/98/97/02/344989702.db2.gz JPABEPKGYUDTDM-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP [NH3+]Cc1cn(Cc2ncc[nH]2)cn1 300769601 344994319 /nfs/dbraw/zinc/99/43/19/344994319.db2.gz ZHECRPNSXIIKGL-UHFFFAOYSA-N 2 0 177.211 0.113 10 0 ACAERP C[N@@H+]1CC[C@H](n2cnc(C[NH3+])c2)C1 300771071 344994902 /nfs/dbraw/zinc/99/49/02/344994902.db2.gz ZUIVVNMTUOBOAC-VIFPVBQESA-N 2 0 180.255 0.218 10 0 ACAERP C[N@@H+]1CC[C@@H](n2cnc(C[NH3+])c2)C1 300771069 344995250 /nfs/dbraw/zinc/99/52/50/344995250.db2.gz ZUIVVNMTUOBOAC-SECBINFHSA-N 2 0 180.255 0.218 10 0 ACAERP Cc1cc(NCC2(O)C[NH2+]C2)cc[nH+]1 300806383 345000625 /nfs/dbraw/zinc/00/06/25/345000625.db2.gz WLWCLJFCIRMTQE-UHFFFAOYSA-N 2 0 193.250 0.136 10 0 ACAERP CC1(C)C[NH2+]CC[C@@H]1[N@@H+]1CC[C@@H](O)C1 300857653 345006275 /nfs/dbraw/zinc/00/62/75/345006275.db2.gz OSGSCMQXQIYJCV-ZJUUUORDSA-N 2 0 198.310 0.441 10 0 ACAERP CC1(C)C[NH2+]CC[C@H]1[N@@H+]1CC[C@H](O)C1 300857648 345006339 /nfs/dbraw/zinc/00/63/39/345006339.db2.gz OSGSCMQXQIYJCV-VHSXEESVSA-N 2 0 198.310 0.441 10 0 ACAERP CC1(C)C[NH2+]CC[C@H]1[N@@H+]1CC[C@@H](O)C1 300857638 345006378 /nfs/dbraw/zinc/00/63/78/345006378.db2.gz OSGSCMQXQIYJCV-NXEZZACHSA-N 2 0 198.310 0.441 10 0 ACAERP CC1(C)C[NH2+]CC[C@@H]1[N@@H+]1CC[C@H](O)C1 300857643 345006431 /nfs/dbraw/zinc/00/64/31/345006431.db2.gz OSGSCMQXQIYJCV-UWVGGRQHSA-N 2 0 198.310 0.441 10 0 ACAERP CO[C@@H]1CCN([C@@H](C)C(N)=[NH2+])[C@@H](C)C1 300864078 345006849 /nfs/dbraw/zinc/00/68/49/345006849.db2.gz JDWBXWJVVKYNPT-XHNCKOQMSA-N 2 0 199.298 0.810 10 0 ACAERP CO[C@@H]1CCN([C@H](C)C(N)=[NH2+])[C@@H](C)C1 300864075 345006952 /nfs/dbraw/zinc/00/69/52/345006952.db2.gz JDWBXWJVVKYNPT-DJLDLDEBSA-N 2 0 199.298 0.810 10 0 ACAERP CO[C@@H]1CCN([C@H](C)C(N)=[NH2+])[C@H](C)C1 300864077 345007039 /nfs/dbraw/zinc/00/70/39/345007039.db2.gz JDWBXWJVVKYNPT-IWSPIJDZSA-N 2 0 199.298 0.810 10 0 ACAERP CO[C@@H]1CCN([C@@H](C)C(N)=[NH2+])[C@H](C)C1 300864076 345007225 /nfs/dbraw/zinc/00/72/25/345007225.db2.gz JDWBXWJVVKYNPT-HRDYMLBCSA-N 2 0 199.298 0.810 10 0 ACAERP CC1(C)C[NH2+]CC[C@@]1(O)[C@H]1CCC[NH2+]1 300869047 345007526 /nfs/dbraw/zinc/00/75/26/345007526.db2.gz QKMUIMKDBFVLAY-MWLCHTKSSA-N 2 0 198.310 0.489 10 0 ACAERP CC1(C)C[NH2+]CC[C@]1(O)[C@@H]1CCC[NH2+]1 300869049 345007500 /nfs/dbraw/zinc/00/75/00/345007500.db2.gz QKMUIMKDBFVLAY-ONGXEEELSA-N 2 0 198.310 0.489 10 0 ACAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C1CC(O)C1 300868947 345007534 /nfs/dbraw/zinc/00/75/34/345007534.db2.gz QHVPTGHJABUXMD-UDNWOFFPSA-N 2 0 198.310 0.487 10 0 ACAERP CC1(C)C[NH2+]CC[C@@]1(O)[C@@H]1CCC[NH2+]1 300869042 345007672 /nfs/dbraw/zinc/00/76/72/345007672.db2.gz QKMUIMKDBFVLAY-GXSJLCMTSA-N 2 0 198.310 0.489 10 0 ACAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C1CC(O)C1 300868946 345007705 /nfs/dbraw/zinc/00/77/05/345007705.db2.gz QHVPTGHJABUXMD-RTBKNWGFSA-N 2 0 198.310 0.487 10 0 ACAERP CC1(C)C[NH2+]CC[C@]1(O)[C@H]1CCC[NH2+]1 300869045 345007831 /nfs/dbraw/zinc/00/78/31/345007831.db2.gz QKMUIMKDBFVLAY-KOLCDFICSA-N 2 0 198.310 0.489 10 0 ACAERP CCN(C)[C@@H]1C[NH2+]CC[C@]1(C)O 300879303 345008669 /nfs/dbraw/zinc/00/86/69/345008669.db2.gz MNHXFGSIGOCAPP-BDAKNGLRSA-N 2 0 172.272 0.051 10 0 ACAERP CCN(C)[C@H]1C[NH2+]CC[C@]1(C)O 300879305 345008745 /nfs/dbraw/zinc/00/87/45/345008745.db2.gz MNHXFGSIGOCAPP-IUCAKERBSA-N 2 0 172.272 0.051 10 0 ACAERP CCN(C)[C@H]1C[NH2+]CC[C@@]1(C)O 300879304 345008804 /nfs/dbraw/zinc/00/88/04/345008804.db2.gz MNHXFGSIGOCAPP-DTWKUNHWSA-N 2 0 172.272 0.051 10 0 ACAERP CCN(C)[C@@H]1C[NH2+]CC[C@@]1(C)O 300879306 345008815 /nfs/dbraw/zinc/00/88/15/345008815.db2.gz MNHXFGSIGOCAPP-RKDXNWHRSA-N 2 0 172.272 0.051 10 0 ACAERP C[C@H]1CCC[N@H+](C[C@@H](O)C[NH3+])[C@H]1C 300932480 345014946 /nfs/dbraw/zinc/01/49/46/345014946.db2.gz BUCFTBLRSXTNLF-GUBZILKMSA-N 2 0 186.299 0.426 10 0 ACAERP CO[C@H]1CC[N@H+](C2CC([NH3+])C2)[C@H](C)C1 300943662 345016732 /nfs/dbraw/zinc/01/67/32/345016732.db2.gz SOAZWXCYYPPWIY-SFXRXQKFSA-N 2 0 198.310 0.975 10 0 ACAERP CO[C@@H]1CC[N@H+](C2CC([NH3+])C2)[C@H](C)C1 300943656 345016803 /nfs/dbraw/zinc/01/68/03/345016803.db2.gz SOAZWXCYYPPWIY-AGVGLQIMSA-N 2 0 198.310 0.975 10 0 ACAERP CO[C@H]1CC[N@H+](C2CC([NH3+])C2)[C@@H](C)C1 300943660 345016837 /nfs/dbraw/zinc/01/68/37/345016837.db2.gz SOAZWXCYYPPWIY-PMUOWJKOSA-N 2 0 198.310 0.975 10 0 ACAERP [NH3+]C[C@@]1([NH3+])CCCC12CCOCC2 300987439 345022090 /nfs/dbraw/zinc/02/20/90/345022090.db2.gz VIGXNHZJOPYGAG-JTQLQIEISA-N 2 0 184.283 0.623 10 0 ACAERP [NH3+]C[C@]1([NH3+])CCCC12CCOCC2 300987442 345022273 /nfs/dbraw/zinc/02/22/73/345022273.db2.gz VIGXNHZJOPYGAG-SNVBAGLBSA-N 2 0 184.283 0.623 10 0 ACAERP C[C@@H]1COCC[C@H]1[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 301007266 345024478 /nfs/dbraw/zinc/02/44/78/345024478.db2.gz LMAZAXGZRBODRO-CHWFTXMASA-N 2 0 198.310 0.690 10 0 ACAERP C[C@@H]1C[N@@H+]([C@@H]2CCOC[C@@H]2C)C[C@@H]1[NH3+] 301007276 345025070 /nfs/dbraw/zinc/02/50/70/345025070.db2.gz LMAZAXGZRBODRO-VPOLOUISSA-N 2 0 198.310 0.690 10 0 ACAERP C[C@@H]1COCC[C@H]1[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 301007270 345025128 /nfs/dbraw/zinc/02/51/28/345025128.db2.gz LMAZAXGZRBODRO-GWOFURMSSA-N 2 0 198.310 0.690 10 0 ACAERP C[C@@H]1C[N@@H+]([C@@H]2CCOC[C@@H]2C)C[C@H]1[NH3+] 301007273 345025151 /nfs/dbraw/zinc/02/51/51/345025151.db2.gz LMAZAXGZRBODRO-LMLFDSFASA-N 2 0 198.310 0.690 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/nfs/dbraw/zinc/49/81/67/345498167.db2.gz HUXLBWGFZVGZDW-NXEZZACHSA-N 2 0 168.284 0.938 10 0 ACAERP C[NH2+]C[C@@H]1C[C@H](C)[N@H+](C)C1 306626774 345498216 /nfs/dbraw/zinc/49/82/16/345498216.db2.gz YXYHKIIDWGWDRX-YUMQZZPRSA-N 2 0 142.246 0.546 10 0 ACAERP C[C@H]1C[NH2+]CC[C@@H]1C[NH+]1CCC1 306626297 345498275 /nfs/dbraw/zinc/49/82/75/345498275.db2.gz HUXLBWGFZVGZDW-VHSXEESVSA-N 2 0 168.284 0.938 10 0 ACAERP CC[C@H](O)C[N@@H+]1CC[NH2+]C[C@H](C)C1 306626419 345498295 /nfs/dbraw/zinc/49/82/95/345498295.db2.gz HWFKNSSTMTUXSN-UWVGGRQHSA-N 2 0 186.299 0.299 10 0 ACAERP C[NH2+]C[C@H]1C[C@H](C)[N@H+](C)C1 306626772 345498309 /nfs/dbraw/zinc/49/83/09/345498309.db2.gz YXYHKIIDWGWDRX-JGVFFNPUSA-N 2 0 142.246 0.546 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@]1(O)[C@@H]1CCC[NH2+]1 306627937 345499016 /nfs/dbraw/zinc/49/90/16/345499016.db2.gz ZTRZFVIJAFFBCL-LPEHRKFASA-N 2 0 184.283 0.241 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@@]1(O)[C@@H]1CCC[NH2+]1 306627935 345499109 /nfs/dbraw/zinc/49/91/09/345499109.db2.gz ZTRZFVIJAFFBCL-GUBZILKMSA-N 2 0 184.283 0.241 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@@]1(O)[C@H]1CCC[NH2+]1 306627934 345499225 /nfs/dbraw/zinc/49/92/25/345499225.db2.gz ZTRZFVIJAFFBCL-AEJSXWLSSA-N 2 0 184.283 0.241 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@]1(O)[C@H]1CCC[NH2+]1 306627936 345499283 /nfs/dbraw/zinc/49/92/83/345499283.db2.gz ZTRZFVIJAFFBCL-IVZWLZJFSA-N 2 0 184.283 0.241 10 0 ACAERP C[C@@H](CC[NH3+])[N@@H+]1C[C@@H](C)[C@@H](O)C1 306629746 345500138 /nfs/dbraw/zinc/50/01/38/345500138.db2.gz KIPAQBZLMPAPHZ-VGMNWLOBSA-N 2 0 172.272 0.036 10 0 ACAERP C[C@@H]1C[N@@H+]([C@H](C)CC[NH3+])C[C@@H]1O 306629743 345500186 /nfs/dbraw/zinc/50/01/86/345500186.db2.gz KIPAQBZLMPAPHZ-HLTSFMKQSA-N 2 0 172.272 0.036 10 0 ACAERP C[C@H](C[NH3+])C[N@@H+]1C[C@H](O)C(C)(C)C1 306635906 345503882 /nfs/dbraw/zinc/50/38/82/345503882.db2.gz LNXCZWLBLPYSCV-BDAKNGLRSA-N 2 0 186.299 0.284 10 0 ACAERP C[C@@H](C[NH3+])C[N@@H+]1C[C@@H](O)C(C)(C)C1 306635910 345504156 /nfs/dbraw/zinc/50/41/56/345504156.db2.gz 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197.326 0.502 10 0 ACAERP NC(=[NH2+])NC(=[NH2+])N[C@@H]1CC12CCCC2 306642420 345510259 /nfs/dbraw/zinc/51/02/59/345510259.db2.gz SWSRVZTTYIAOAK-ZCFIWIBFSA-N 2 0 195.270 0.327 10 0 ACAERP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCC[N@@H+]1C 306642520 345510270 /nfs/dbraw/zinc/51/02/70/345510270.db2.gz TYSOFRGXLQDARQ-OUAUKWLOSA-N 2 0 197.326 0.502 10 0 ACAERP Cc1nccn1CC1=[NH+]CCCN1 306642690 345511014 /nfs/dbraw/zinc/51/10/14/345511014.db2.gz UKQPHYLWRCZGJI-UHFFFAOYSA-N 2 0 178.239 0.583 10 0 ACAERP C[C@H]1C[C@@H](O)C[N@@H+]1CCC(C)(C)[NH3+] 306643414 345511423 /nfs/dbraw/zinc/51/14/23/345511423.db2.gz WOBCDZIBRFWFIY-DTWKUNHWSA-N 2 0 186.299 0.569 10 0 ACAERP C[C@H]1C[C@H](O)C[N@@H+]1CCC(C)(C)[NH3+] 306643415 345511461 /nfs/dbraw/zinc/51/14/61/345511461.db2.gz WOBCDZIBRFWFIY-IUCAKERBSA-N 2 0 186.299 0.569 10 0 ACAERP C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(C)(C)[NH3+] 306643416 345511483 /nfs/dbraw/zinc/51/14/83/345511483.db2.gz WOBCDZIBRFWFIY-RKDXNWHRSA-N 2 0 186.299 0.569 10 0 ACAERP C[C@@H]1C[C@H](O)C[N@@H+]1CCC(C)(C)[NH3+] 306643413 345511607 /nfs/dbraw/zinc/51/16/07/345511607.db2.gz WOBCDZIBRFWFIY-BDAKNGLRSA-N 2 0 186.299 0.569 10 0 ACAERP CC[C@H](C(N)=[NH2+])N1C[C@@H](O)C(C)(C)C1 306643473 345512220 /nfs/dbraw/zinc/51/22/20/345512220.db2.gz WTUAENFGXSSCAE-HTQZYQBOSA-N 2 0 199.298 0.404 10 0 ACAERP CC[C@@H](C(N)=[NH2+])N1C[C@H](O)C(C)(C)C1 306643476 345512276 /nfs/dbraw/zinc/51/22/76/345512276.db2.gz WTUAENFGXSSCAE-YUMQZZPRSA-N 2 0 199.298 0.404 10 0 ACAERP CC[C@H](C(N)=[NH2+])N1C[C@H](O)C(C)(C)C1 306643475 345512318 /nfs/dbraw/zinc/51/23/18/345512318.db2.gz WTUAENFGXSSCAE-SFYZADRCSA-N 2 0 199.298 0.404 10 0 ACAERP CC[C@@H](C(N)=[NH2+])N1C[C@@H](O)C(C)(C)C1 306643474 345512464 /nfs/dbraw/zinc/51/24/64/345512464.db2.gz WTUAENFGXSSCAE-JGVFFNPUSA-N 2 0 199.298 0.404 10 0 ACAERP C1C[C@H]2CN(C3CSC3)CC[C@H]2[NH2+]1 306647301 345515500 /nfs/dbraw/zinc/51/55/00/345515500.db2.gz GGRRVHAFFQRRPD-WCBMZHEXSA-N 2 0 198.335 0.786 10 0 ACAERP C1C[C@@H]2CN(C3CSC3)CC[C@H]2[NH2+]1 306647280 345515542 /nfs/dbraw/zinc/51/55/42/345515542.db2.gz GGRRVHAFFQRRPD-PSASIEDQSA-N 2 0 198.335 0.786 10 0 ACAERP CC(C)[NH2+]C[C@]1(O)CCN(C)C1 306646940 345515575 /nfs/dbraw/zinc/51/55/75/345515575.db2.gz BVWKMAYFHMBGKI-SECBINFHSA-N 2 0 172.272 0.051 10 0 ACAERP CC(C)[NH2+]C[C@@]1(O)CCN(C)C1 306646945 345515664 /nfs/dbraw/zinc/51/56/64/345515664.db2.gz BVWKMAYFHMBGKI-VIFPVBQESA-N 2 0 172.272 0.051 10 0 ACAERP C1C[C@@H]2CN(C3CSC3)CC[C@@H]2[NH2+]1 306647291 345515768 /nfs/dbraw/zinc/51/57/68/345515768.db2.gz GGRRVHAFFQRRPD-SCZZXKLOSA-N 2 0 198.335 0.786 10 0 ACAERP Cc1c[nH+]c(N2CC[C@@H]([NH3+])C2)n1C 306648936 345516401 /nfs/dbraw/zinc/51/64/01/345516401.db2.gz BKEGYEKLLWQFON-MRVPVSSYSA-N 2 0 180.255 0.266 10 0 ACAERP C[N@@H+]1CCC[C@@H](CN2CC(CO)C2)C1 306648505 345516526 /nfs/dbraw/zinc/51/65/26/345516526.db2.gz COHRZUXUNLOTBG-SNVBAGLBSA-N 2 0 198.310 0.252 10 0 ACAERP C[N@@H+]1CCC[C@H](CN2CC(CO)C2)C1 306648503 345516648 /nfs/dbraw/zinc/51/66/48/345516648.db2.gz COHRZUXUNLOTBG-JTQLQIEISA-N 2 0 198.310 0.252 10 0 ACAERP Cc1c[nH+]c(N2CC[C@H]([NH3+])C2)n1C 306648939 345516671 /nfs/dbraw/zinc/51/66/71/345516671.db2.gz BKEGYEKLLWQFON-QMMMGPOBSA-N 2 0 180.255 0.266 10 0 ACAERP CC(C)N1CCOC[C@@H]([NH3+])C1 306650598 345517679 /nfs/dbraw/zinc/51/76/79/345517679.db2.gz BXUDIRWNNXWTIR-QMMMGPOBSA-N 2 0 158.245 0.054 10 0 ACAERP CC(C)N1CCOC[C@H]([NH3+])C1 306650597 345517730 /nfs/dbraw/zinc/51/77/30/345517730.db2.gz BXUDIRWNNXWTIR-MRVPVSSYSA-N 2 0 158.245 0.054 10 0 ACAERP [NH3+][C@H]1C=C[C@@H](C[NH+]2CCC2)C1 306651019 345517744 /nfs/dbraw/zinc/51/77/44/345517744.db2.gz FUNOJDWPGQMARE-BDAKNGLRSA-N 2 0 152.241 0.596 10 0 ACAERP [NH3+][C@H]1C=C[C@H](C[NH+]2CCC2)C1 306651021 345517832 /nfs/dbraw/zinc/51/78/32/345517832.db2.gz FUNOJDWPGQMARE-IUCAKERBSA-N 2 0 152.241 0.596 10 0 ACAERP [NH3+][C@@H]1C=C[C@@H](C[NH+]2CCC2)C1 306651022 345517849 /nfs/dbraw/zinc/51/78/49/345517849.db2.gz FUNOJDWPGQMARE-RKDXNWHRSA-N 2 0 152.241 0.596 10 0 ACAERP 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/nfs/dbraw/zinc/99/51/10/345995110.db2.gz HXWTYCCTWFHHIF-RKDXNWHRSA-N 2 0 184.283 0.587 10 0 ACAERP C[C@@H]1[C@@H](O)CCCN1[C@H]1CC[NH2+]C1 307364918 345996941 /nfs/dbraw/zinc/99/69/41/345996941.db2.gz IVBIZLSLVGHNRJ-UTLUCORTSA-N 2 0 184.283 0.194 10 0 ACAERP C[C@@H]1[C@H](O)CCCN1[C@@H]1CC[NH2+]C1 307364916 345996974 /nfs/dbraw/zinc/99/69/74/345996974.db2.gz IVBIZLSLVGHNRJ-OPRDCNLKSA-N 2 0 184.283 0.194 10 0 ACAERP CC[N@@H+]1CC/C(=C\C[NH3+])C1 307366146 345997516 /nfs/dbraw/zinc/99/75/16/345997516.db2.gz KMFSLNBRJNDCKD-FPYGCLRLSA-N 2 0 140.230 0.597 10 0 ACAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCOCC1 307370226 346000136 /nfs/dbraw/zinc/00/01/36/346000136.db2.gz OVHKZMYDELIHNE-MXWKQRLJSA-N 2 0 198.310 0.977 10 0 ACAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1CCCOCC1 307370494 346000443 /nfs/dbraw/zinc/00/04/43/346000443.db2.gz OVHKZMYDELIHNE-VWYCJHECSA-N 2 0 198.310 0.977 10 0 ACAERP CC[C@@H]([NH3+])CC[NH+]1CCC1 307371481 346000939 /nfs/dbraw/zinc/00/09/39/346000939.db2.gz 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C[C@H]([NH3+])CN1CC[C@@]2(CC[N@H+](C)C2)C1 307441100 346041688 /nfs/dbraw/zinc/04/16/88/346041688.db2.gz ZQVZUSMKLYSUBE-WDEREUQCSA-N 2 0 197.326 0.361 10 0 ACAERP C[C@H]([NH3+])CN1CC[C@]2(CC[N@H+](C)C2)C1 307441099 346041830 /nfs/dbraw/zinc/04/18/30/346041830.db2.gz ZQVZUSMKLYSUBE-QWRGUYRKSA-N 2 0 197.326 0.361 10 0 ACAERP C[C@H]1C[C@@H](C[NH3+])C[N@H+](C)C1 307441681 346042201 /nfs/dbraw/zinc/04/22/01/346042201.db2.gz NOEFQDLRPURAOH-YUMQZZPRSA-N 2 0 142.246 0.533 10 0 ACAERP C[C@@H]1C[C@@H](C[NH3+])C[N@H+](C)C1 307441678 346042259 /nfs/dbraw/zinc/04/22/59/346042259.db2.gz NOEFQDLRPURAOH-SFYZADRCSA-N 2 0 142.246 0.533 10 0 ACAERP C[C@H]1C[C@H](C[NH3+])C[N@H+](C)C1 307441676 346042433 /nfs/dbraw/zinc/04/24/33/346042433.db2.gz NOEFQDLRPURAOH-JGVFFNPUSA-N 2 0 142.246 0.533 10 0 ACAERP C[C@@H]1C[C@H](C[NH3+])C[N@H+](C)C1 307441673 346042487 /nfs/dbraw/zinc/04/24/87/346042487.db2.gz NOEFQDLRPURAOH-HTQZYQBOSA-N 2 0 142.246 0.533 10 0 ACAERP CC[NH+]1CC[C@@H]2C[NH2+]C[C@H]2CC1 307444813 346044440 /nfs/dbraw/zinc/04/44/40/346044440.db2.gz BXFIWCNTDAFZKW-NXEZZACHSA-N 2 0 168.284 0.938 10 0 ACAERP CC[NH+]1CC[C@H]2C[NH2+]C[C@@H]2CC1 307444814 346044504 /nfs/dbraw/zinc/04/45/04/346044504.db2.gz BXFIWCNTDAFZKW-UWVGGRQHSA-N 2 0 168.284 0.938 10 0 ACAERP CC[C@H]([NH3+])C[NH2+]CCCF 307447323 346046011 /nfs/dbraw/zinc/04/60/11/346046011.db2.gz IUYASUUKSCZDAO-ZETCQYMHSA-N 2 0 148.225 0.673 10 0 ACAERP C[C@H]([NH3+])[C@@H](C)N1CC[N@@H+]2CC[C@H]1C2 307447527 346046184 /nfs/dbraw/zinc/04/61/84/346046184.db2.gz JJTRZQKGLKKECA-AEJSXWLSSA-N 2 0 183.299 0.112 10 0 ACAERP C[C@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CS1 307450290 346047502 /nfs/dbraw/zinc/04/75/02/346047502.db2.gz BTVCYKNFHHHMTB-DFAZKQQPSA-N 2 0 186.324 0.960 10 0 ACAERP C[C@]1(C[NH+]2CCC2)COC[C@H]1[NH3+] 307450542 346047513 /nfs/dbraw/zinc/04/75/13/346047513.db2.gz PPIUJRGJYIDTMD-BDAKNGLRSA-N 2 0 170.256 0.056 10 0 ACAERP C[C@@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CS1 307450292 346047546 /nfs/dbraw/zinc/04/75/46/346047546.db2.gz BTVCYKNFHHHMTB-KHONBHQKSA-N 2 0 186.324 0.960 10 0 ACAERP C[C@H]1C[C@H]([NH2+]C2CC([NH3+])C2)CS1 307450294 346047590 /nfs/dbraw/zinc/04/75/90/346047590.db2.gz BTVCYKNFHHHMTB-KRTGUUSXSA-N 2 0 186.324 0.960 10 0 ACAERP C[C@@]1(C[NH+]2CCC2)COC[C@H]1[NH3+] 307450545 346047604 /nfs/dbraw/zinc/04/76/04/346047604.db2.gz PPIUJRGJYIDTMD-RKDXNWHRSA-N 2 0 170.256 0.056 10 0 ACAERP C[C@@]1(C[NH+]2CCC2)COC[C@@H]1[NH3+] 307450543 346047698 /nfs/dbraw/zinc/04/76/98/346047698.db2.gz PPIUJRGJYIDTMD-DTWKUNHWSA-N 2 0 170.256 0.056 10 0 ACAERP C[C@@H]1C[C@@H]([NH2+]C2CC([NH3+])C2)CS1 307450476 346047747 /nfs/dbraw/zinc/04/77/47/346047747.db2.gz BTVCYKNFHHHMTB-MDVIFZSFSA-N 2 0 186.324 0.960 10 0 ACAERP C[C@]1(C[NH+]2CCC2)COC[C@@H]1[NH3+] 307450544 346047802 /nfs/dbraw/zinc/04/78/02/346047802.db2.gz PPIUJRGJYIDTMD-IUCAKERBSA-N 2 0 170.256 0.056 10 0 ACAERP CC(C)[NH+]1CC(n2cncc2C[NH3+])C1 307451972 346048713 /nfs/dbraw/zinc/04/87/13/346048713.db2.gz SLUBRSVBYRHKAY-UHFFFAOYSA-N 2 0 194.282 0.607 10 0 ACAERP F[C@]1(C2C[NH2+]C2)CCC[NH2+]C1 307452989 346049214 /nfs/dbraw/zinc/04/92/14/346049214.db2.gz UMYLCBCFYSYJTJ-MRVPVSSYSA-N 2 0 158.220 0.298 10 0 ACAERP F[C@@]1(C2C[NH2+]C2)CCC[NH2+]C1 307452990 346049254 /nfs/dbraw/zinc/04/92/54/346049254.db2.gz UMYLCBCFYSYJTJ-QMMMGPOBSA-N 2 0 158.220 0.298 10 0 ACAERP CC[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 307457066 346052107 /nfs/dbraw/zinc/05/21/07/346052107.db2.gz FHANJJKOKBIBSZ-RKDXNWHRSA-N 2 0 156.273 0.842 10 0 ACAERP CC[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 307457062 346052151 /nfs/dbraw/zinc/05/21/51/346052151.db2.gz FHANJJKOKBIBSZ-BDAKNGLRSA-N 2 0 156.273 0.842 10 0 ACAERP CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 307457063 346052162 /nfs/dbraw/zinc/05/21/62/346052162.db2.gz FHANJJKOKBIBSZ-DTWKUNHWSA-N 2 0 156.273 0.842 10 0 ACAERP CC[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 307457065 346052237 /nfs/dbraw/zinc/05/22/37/346052237.db2.gz FHANJJKOKBIBSZ-IUCAKERBSA-N 2 0 156.273 0.842 10 0 ACAERP C[C@@H]([NH3+])[C@H]1CCCN(C2C[NH2+]C2)C1 307459100 346053181 /nfs/dbraw/zinc/05/31/81/346053181.db2.gz DZRWKPUBDQLBAP-BDAKNGLRSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@H]([NH3+])[C@@H]1CCCN(C2C[NH2+]C2)C1 307459109 346053243 /nfs/dbraw/zinc/05/32/43/346053243.db2.gz DZRWKPUBDQLBAP-DTWKUNHWSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@H]([NH3+])[C@H]1CCCN(C2C[NH2+]C2)C1 307459117 346053332 /nfs/dbraw/zinc/05/33/32/346053332.db2.gz DZRWKPUBDQLBAP-IUCAKERBSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@@H]([NH3+])[C@@H]1CCCN(C2C[NH2+]C2)C1 307459125 346053488 /nfs/dbraw/zinc/05/34/88/346053488.db2.gz DZRWKPUBDQLBAP-RKDXNWHRSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@@H]([C@H](C)C[NH3+])[NH+]1CCC1 307465594 346056961 /nfs/dbraw/zinc/05/69/61/346056961.db2.gz MURLEOZOQQCVOY-SFYZADRCSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@@H](C[NH3+])[C@@H](C)[NH+]1CCC1 307465593 346057163 /nfs/dbraw/zinc/05/71/63/346057163.db2.gz MURLEOZOQQCVOY-JGVFFNPUSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@@H](C[NH3+])[C@H](C)[NH+]1CCC1 307465595 346057215 /nfs/dbraw/zinc/05/72/15/346057215.db2.gz MURLEOZOQQCVOY-YUMQZZPRSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@H](C[NH3+])[C@@H](C)[NH+]1CCC1 307465592 346057254 /nfs/dbraw/zinc/05/72/54/346057254.db2.gz MURLEOZOQQCVOY-HTQZYQBOSA-N 2 0 142.246 0.675 10 0 ACAERP C[C@@]1(CO)CC[N@@H+](C2CC([NH3+])C2)C1 307466402 346057654 /nfs/dbraw/zinc/05/76/54/346057654.db2.gz KDPNQUXNFSDFRR-UDNWOFFPSA-N 2 0 184.283 0.180 10 0 ACAERP C[C@]1(CO)CC[N@@H+](C2CC([NH3+])C2)C1 307466401 346057795 /nfs/dbraw/zinc/05/77/95/346057795.db2.gz KDPNQUXNFSDFRR-RTBKNWGFSA-N 2 0 184.283 0.180 10 0 ACAERP NCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 307469955 346059267 /nfs/dbraw/zinc/05/92/67/346059267.db2.gz OZELZAXMDMAZHP-GUBZILKMSA-N 2 0 184.283 0.038 10 0 ACAERP NCC[N@H+]1C[C@H]2C[C@H](O)CC[C@H]2C1 307469957 346059341 /nfs/dbraw/zinc/05/93/41/346059341.db2.gz OZELZAXMDMAZHP-IVZWLZJFSA-N 2 0 184.283 0.038 10 0 ACAERP NCC[N@H+]1C[C@H]2C[C@@H](O)CC[C@H]2C1 307469954 346059499 /nfs/dbraw/zinc/05/94/99/346059499.db2.gz OZELZAXMDMAZHP-AEJSXWLSSA-N 2 0 184.283 0.038 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCOC1 307470343 346059661 /nfs/dbraw/zinc/05/96/61/346059661.db2.gz PKRLYFGEORLWGX-KXUCPTDWSA-N 2 0 184.283 0.363 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCOC1 307470347 346059913 /nfs/dbraw/zinc/05/99/13/346059913.db2.gz PKRLYFGEORLWGX-UTLUCORTSA-N 2 0 184.283 0.363 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCOC1 307470342 346059936 /nfs/dbraw/zinc/05/99/36/346059936.db2.gz PKRLYFGEORLWGX-BBBLOLIVSA-N 2 0 184.283 0.363 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCOC1 307470345 346060053 /nfs/dbraw/zinc/06/00/53/346060053.db2.gz PKRLYFGEORLWGX-OPRDCNLKSA-N 2 0 184.283 0.363 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C1 307473508 346061460 /nfs/dbraw/zinc/06/14/60/346061460.db2.gz HQUMQJKUPKGKFK-RKDXNWHRSA-N 2 0 166.268 0.962 10 0 ACAERP C[C@]1(C[NH+]2CC=CC2)COC[C@H]1[NH3+] 307473514 346061492 /nfs/dbraw/zinc/06/14/92/346061492.db2.gz HRTGNCRAXSHHPJ-ZJUUUORDSA-N 2 0 182.267 0.222 10 0 ACAERP [NH3+][C@@H]1CC[C@H]([NH+]2CC3(CC3)C2)C1 307473505 346061504 /nfs/dbraw/zinc/06/15/04/346061504.db2.gz HQUMQJKUPKGKFK-BDAKNGLRSA-N 2 0 166.268 0.962 10 0 ACAERP C[C@]1(C[NH+]2CC=CC2)COC[C@@H]1[NH3+] 307473512 346061549 /nfs/dbraw/zinc/06/15/49/346061549.db2.gz HRTGNCRAXSHHPJ-UWVGGRQHSA-N 2 0 182.267 0.222 10 0 ACAERP [NH3+][C@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C1 307473506 346061640 /nfs/dbraw/zinc/06/16/40/346061640.db2.gz HQUMQJKUPKGKFK-DTWKUNHWSA-N 2 0 166.268 0.962 10 0 ACAERP C[C@@]1(C[NH+]2CC=CC2)COC[C@@H]1[NH3+] 307473513 346061692 /nfs/dbraw/zinc/06/16/92/346061692.db2.gz HRTGNCRAXSHHPJ-VHSXEESVSA-N 2 0 182.267 0.222 10 0 ACAERP C[C@@]1(C[NH+]2CC=CC2)COC[C@H]1[NH3+] 307473511 346061743 /nfs/dbraw/zinc/06/17/43/346061743.db2.gz HRTGNCRAXSHHPJ-NXEZZACHSA-N 2 0 182.267 0.222 10 0 ACAERP [NH3+][C@H]1CC[C@H]([NH+]2CC3(CC3)C2)C1 307473507 346061836 /nfs/dbraw/zinc/06/18/36/346061836.db2.gz HQUMQJKUPKGKFK-IUCAKERBSA-N 2 0 166.268 0.962 10 0 ACAERP C[C@@]1(CCC[NH3+])[NH2+]CCS1 307477487 346064049 /nfs/dbraw/zinc/06/40/49/346064049.db2.gz VPMNQWPNRISJJP-SSDOTTSWSA-N 2 0 160.286 0.778 10 0 ACAERP CC(C)([NH3+])CC[NH+]1CC=CC1 307477023 346064204 /nfs/dbraw/zinc/06/42/04/346064204.db2.gz CQYSAADVOKPLHG-UHFFFAOYSA-N 2 0 154.257 0.986 10 0 ACAERP C[C@]1(CCC[NH3+])[NH2+]CCS1 307477488 346064230 /nfs/dbraw/zinc/06/42/30/346064230.db2.gz VPMNQWPNRISJJP-ZETCQYMHSA-N 2 0 160.286 0.778 10 0 ACAERP [NH3+]C1CC(F)([C@@H]2C=CC[NH2+]2)C1 307480376 346065805 /nfs/dbraw/zinc/06/58/05/346065805.db2.gz KCAAMHVGTCYREC-WTIBDHCWSA-N 2 0 156.204 0.344 10 0 ACAERP [NH3+]C1CC(F)([C@H]2C=CC[NH2+]2)C1 307480378 346065910 /nfs/dbraw/zinc/06/59/10/346065910.db2.gz KCAAMHVGTCYREC-ZUEIMRROSA-N 2 0 156.204 0.344 10 0 ACAERP C[NH2+]C1(C)CCN(C2C[NH2+]C2)CC1 307481090 346066405 /nfs/dbraw/zinc/06/64/05/346066405.db2.gz GZVJBNGYOOKXNK-UHFFFAOYSA-N 2 0 183.299 0.032 10 0 ACAERP CC(C)[N@@H+]1CCO[C@H](C2=[NH+]CCN2)C1 307484216 346068245 /nfs/dbraw/zinc/06/82/45/346068245.db2.gz IFLXLPGXSVGASI-VIFPVBQESA-N 2 0 197.282 0.097 10 0 ACAERP CC(C)[N@@H+]1CCO[C@@H](C2=[NH+]CCN2)C1 307484204 346068430 /nfs/dbraw/zinc/06/84/30/346068430.db2.gz IFLXLPGXSVGASI-SECBINFHSA-N 2 0 197.282 0.097 10 0 ACAERP C[C@H]([NH3+])C1CC[NH+]([C@H](C)CO)CC1 307485983 346069194 /nfs/dbraw/zinc/06/91/94/346069194.db2.gz ASBIHISNIGALLR-BDAKNGLRSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@@H](CO)[NH+]1CCC([C@@H](C)[NH3+])CC1 307485984 346069248 /nfs/dbraw/zinc/06/92/48/346069248.db2.gz ASBIHISNIGALLR-DTWKUNHWSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)CO)CC1 307485985 346069401 /nfs/dbraw/zinc/06/94/01/346069401.db2.gz ASBIHISNIGALLR-IUCAKERBSA-N 2 0 186.299 0.426 10 0 ACAERP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)CO)CC1 307485986 346069460 /nfs/dbraw/zinc/06/94/60/346069460.db2.gz ASBIHISNIGALLR-RKDXNWHRSA-N 2 0 186.299 0.426 10 0 ACAERP CNC(=[NH2+])CC[NH+]1CCCC1 307488333 346070127 /nfs/dbraw/zinc/07/01/27/346070127.db2.gz WMHDCILWEHLXLB-UHFFFAOYSA-N 2 0 155.245 0.669 10 0 ACAERP C[C@@H]1COCC[N@@H+](C2CC([NH3+])C2)C1 307498872 346076021 /nfs/dbraw/zinc/07/60/21/346076021.db2.gz LEJRKMSRLXDQIF-IDKOKCKLSA-N 2 0 184.283 0.444 10 0 ACAERP C[C@H]1COCC[N@@H+](C2CC([NH3+])C2)C1 307498874 346076089 /nfs/dbraw/zinc/07/60/89/346076089.db2.gz LEJRKMSRLXDQIF-XNWIYYODSA-N 2 0 184.283 0.444 10 0 ACAERP CC1(C[NH2+]C2CCC2)C[NH2+]C1 307499388 346076311 /nfs/dbraw/zinc/07/63/11/346076311.db2.gz LSAMJFNKXWRFAE-UHFFFAOYSA-N 2 0 154.257 0.738 10 0 ACAERP C[NH+](C)CCN1C[C@H]2CC[NH2+]C[C@@H]2C1 307502675 346077713 /nfs/dbraw/zinc/07/77/13/346077713.db2.gz VUYNMYZXUOPSRW-GHMZBOCLSA-N 2 0 197.326 0.089 10 0 ACAERP C[NH+](C)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 307502679 346077764 /nfs/dbraw/zinc/07/77/64/346077764.db2.gz VUYNMYZXUOPSRW-WDEREUQCSA-N 2 0 197.326 0.089 10 0 ACAERP C[NH+](C)CCN1C[C@H]2CC[NH2+]C[C@H]2C1 307502677 346077806 /nfs/dbraw/zinc/07/78/06/346077806.db2.gz VUYNMYZXUOPSRW-MNOVXSKESA-N 2 0 197.326 0.089 10 0 ACAERP C[NH+](C)CCN1C[C@@H]2C[NH2+]CC[C@H]2C1 307502678 346077831 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/nfs/dbraw/zinc/65/30/29/346653029.db2.gz PGAAQGKUMGGPDV-NQMVMOMDSA-N 2 0 184.283 0.227 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@@]1(O)[C@H]1C=CC[NH2+]1 404854351 346653280 /nfs/dbraw/zinc/65/32/80/346653280.db2.gz RKZXDAYUXBEHHK-NQMVMOMDSA-N 2 0 182.267 0.003 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@@]1(O)[C@@H]1C=CC[NH2+]1 404854342 346653405 /nfs/dbraw/zinc/65/34/05/346653405.db2.gz RKZXDAYUXBEHHK-KHQFGBGNSA-N 2 0 182.267 0.003 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@]1(O)[C@H]1C=CC[NH2+]1 404854346 346653461 /nfs/dbraw/zinc/65/34/61/346653461.db2.gz RKZXDAYUXBEHHK-MRTMQBJTSA-N 2 0 182.267 0.003 10 0 ACAERP C[NH+](C)CC(C)(C)C(N)=[NH2+] 405066135 346656456 /nfs/dbraw/zinc/65/64/56/346656456.db2.gz ATLOAGXPRIXDFG-UHFFFAOYSA-N 2 0 143.234 0.510 10 0 ACAERP C[NH2+]CC(C)(C)C(=[NH2+])NO 405080706 346657104 /nfs/dbraw/zinc/65/71/04/346657104.db2.gz LBYMOCPCYMWMBR-UHFFFAOYSA-N 2 0 145.206 0.188 10 0 ACAERP CC(C)(C[NH+]1CCC1)C(N)=[NH2+] 405075783 346657112 /nfs/dbraw/zinc/65/71/12/346657112.db2.gz IMMVUHWOKNWZLR-UHFFFAOYSA-N 2 0 155.245 0.654 10 0 ACAERP C[NH+](C)CC(C)(C)C(=[NH2+])NO 405107208 346657783 /nfs/dbraw/zinc/65/77/83/346657783.db2.gz ZCSVNBXDZYZSHG-UHFFFAOYSA-N 2 0 159.233 0.530 10 0 ACAERP [NH2+]=C(NO)C1(C[NH3+])CCCC1 405171871 346658756 /nfs/dbraw/zinc/65/87/56/346658756.db2.gz OKAJUXOMBWHHFS-UHFFFAOYSA-N 2 0 157.217 0.462 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@H]1[N@@H+]1CC[C@H](O)C1 405222499 346660247 /nfs/dbraw/zinc/66/02/47/346660247.db2.gz BLSDNWZPDLCXLY-DJLDLDEBSA-N 2 0 184.283 0.179 10 0 ACAERP CC1(C)[C@@H]([N@@H+]2CC[C@@H](O)C2)C[C@H]1[NH3+] 405222501 346660305 /nfs/dbraw/zinc/66/03/05/346660305.db2.gz BLSDNWZPDLCXLY-HLTSFMKQSA-N 2 0 184.283 0.179 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@H]1[N@@H+]1CC[C@@H](O)C1 405222502 346660358 /nfs/dbraw/zinc/66/03/58/346660358.db2.gz BLSDNWZPDLCXLY-IWSPIJDZSA-N 2 0 184.283 0.179 10 0 ACAERP CC1(C)[C@@H]([N@@H+]2CC[C@H](O)C2)C[C@H]1[NH3+] 405222503 346660572 /nfs/dbraw/zinc/66/05/72/346660572.db2.gz BLSDNWZPDLCXLY-YIZRAAEISA-N 2 0 184.283 0.179 10 0 ACAERP [NH3+][C@H]1C[C@@H]([NH+]2CCC2)C12CCC2 405247337 346661380 /nfs/dbraw/zinc/66/13/80/346661380.db2.gz GHWVIJNURHYYND-DTWKUNHWSA-N 2 0 166.268 0.962 10 0 ACAERP [NH3+][C@H]1C[C@H]([NH+]2CCC2)C12CCC2 405247339 346661384 /nfs/dbraw/zinc/66/13/84/346661384.db2.gz GHWVIJNURHYYND-IUCAKERBSA-N 2 0 166.268 0.962 10 0 ACAERP [NH3+][C@@H]1C[C@@H]([NH+]2CCC2)C12CCC2 405247341 346661752 /nfs/dbraw/zinc/66/17/52/346661752.db2.gz GHWVIJNURHYYND-RKDXNWHRSA-N 2 0 166.268 0.962 10 0 ACAERP [NH3+][C@@H]1C[C@H]([NH+]2CCC2)C12CCC2 405247335 346661782 /nfs/dbraw/zinc/66/17/82/346661782.db2.gz GHWVIJNURHYYND-BDAKNGLRSA-N 2 0 166.268 0.962 10 0 ACAERP [NH3+]CC[C@@H]1CCC[C@@H]1[NH3+] 405267578 346662119 /nfs/dbraw/zinc/66/21/19/346662119.db2.gz SLWVJNZBLYTJAA-BQBZGAKWSA-N 2 0 128.219 0.463 10 0 ACAERP CC1(C)[C@@H]([NH+]2CCC2)C[C@H]1[NH3+] 405291846 346662584 /nfs/dbraw/zinc/66/25/84/346662584.db2.gz YJKOKCMIVLEQPJ-SFYZADRCSA-N 2 0 154.257 0.818 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H]1CCOC1 405289388 346662816 /nfs/dbraw/zinc/66/28/16/346662816.db2.gz INEMZYKHPRVUFP-IWSPIJDZSA-N 2 0 184.283 0.491 10 0 ACAERP CC1(C)[C@@H]([NH2+][C@@H]2CCOC2)C[C@H]1[NH3+] 405289386 346662858 /nfs/dbraw/zinc/66/28/58/346662858.db2.gz INEMZYKHPRVUFP-HLTSFMKQSA-N 2 0 184.283 0.491 10 0 ACAERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH+]1CCC1 405291847 346662869 /nfs/dbraw/zinc/66/28/69/346662869.db2.gz YJKOKCMIVLEQPJ-YUMQZZPRSA-N 2 0 154.257 0.818 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH+]1CCC1 405291844 346662959 /nfs/dbraw/zinc/66/29/59/346662959.db2.gz YJKOKCMIVLEQPJ-HTQZYQBOSA-N 2 0 154.257 0.818 10 0 ACAERP CC1(C)[C@@H]([NH3+])C[C@H]1[NH+]1CCC1 405291845 346663017 /nfs/dbraw/zinc/66/30/17/346663017.db2.gz YJKOKCMIVLEQPJ-JGVFFNPUSA-N 2 0 154.257 0.818 10 0 ACAERP [NH3+]CC1C[NH+]([C@@H]2CCSC2)C1 405303060 346663295 /nfs/dbraw/zinc/66/32/95/346663295.db2.gz KQLQQFFRCSEVGK-MRVPVSSYSA-N 2 0 172.297 0.382 10 0 ACAERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C1CC(O)C1 405301913 346663389 /nfs/dbraw/zinc/66/33/89/346663389.db2.gz TYVLGWXVPYHFCA-PEBLOWIWSA-N 2 0 184.283 0.225 10 0 ACAERP CC1(C)[C@@H]([NH3+])C[C@H]1[NH2+]C1CC(O)C1 405301909 346663399 /nfs/dbraw/zinc/66/33/99/346663399.db2.gz TYVLGWXVPYHFCA-ABIFROTESA-N 2 0 184.283 0.225 10 0 ACAERP [NH3+]CC1C[NH+]([C@H]2CCSC2)C1 405303061 346663463 /nfs/dbraw/zinc/66/34/63/346663463.db2.gz KQLQQFFRCSEVGK-QMMMGPOBSA-N 2 0 172.297 0.382 10 0 ACAERP CC1(C)[C@@H]([NH2+]C2CC(O)C2)C[C@H]1[NH3+] 405301915 346663469 /nfs/dbraw/zinc/66/34/69/346663469.db2.gz TYVLGWXVPYHFCA-YNTFGVKOSA-N 2 0 184.283 0.225 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C1CC(O)C1 405301911 346663495 /nfs/dbraw/zinc/66/34/95/346663495.db2.gz TYVLGWXVPYHFCA-GEPGNKONSA-N 2 0 184.283 0.225 10 0 ACAERP CCC[N@@H+]1CCN2C[C@@H]([NH3+])C[C@H]2C1 405388443 346664613 /nfs/dbraw/zinc/66/46/13/346664613.db2.gz LRYNEBORFBFFLT-UWVGGRQHSA-N 2 0 183.299 0.114 10 0 ACAERP CCC[N@@H+]1CCN2C[C@H]([NH3+])C[C@@H]2C1 405388442 346664741 /nfs/dbraw/zinc/66/47/41/346664741.db2.gz LRYNEBORFBFFLT-NXEZZACHSA-N 2 0 183.299 0.114 10 0 ACAERP CCC[N@@H+]1CCN2C[C@@H]([NH3+])C[C@@H]2C1 405388445 346664755 /nfs/dbraw/zinc/66/47/55/346664755.db2.gz LRYNEBORFBFFLT-VHSXEESVSA-N 2 0 183.299 0.114 10 0 ACAERP CCC[N@@H+]1CCN2C[C@H]([NH3+])C[C@H]2C1 405388447 346664989 /nfs/dbraw/zinc/66/49/89/346664989.db2.gz LRYNEBORFBFFLT-ZJUUUORDSA-N 2 0 183.299 0.114 10 0 ACAERP CC1(C)[C@@H]([NH3+])C[C@H]1[NH2+]C1CC1 405398426 346665280 /nfs/dbraw/zinc/66/52/80/346665280.db2.gz PFCIKFAPKMKSFL-JGVFFNPUSA-N 2 0 154.257 0.864 10 0 ACAERP CC(C)[N@@H+]1CCN2C[C@H]([NH3+])C[C@H]2C1 405397747 346665371 /nfs/dbraw/zinc/66/53/71/346665371.db2.gz OVMWFKDAPQEHKO-ZJUUUORDSA-N 2 0 183.299 0.112 10 0 ACAERP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C1CC1 405398425 346665535 /nfs/dbraw/zinc/66/55/35/346665535.db2.gz PFCIKFAPKMKSFL-HTQZYQBOSA-N 2 0 154.257 0.864 10 0 ACAERP CC(C)[N@@H+]1CCN2C[C@@H]([NH3+])C[C@@H]2C1 405397746 346665564 /nfs/dbraw/zinc/66/55/64/346665564.db2.gz OVMWFKDAPQEHKO-VHSXEESVSA-N 2 0 183.299 0.112 10 0 ACAERP CC(C)[N@@H+]1CCN2C[C@H]([NH3+])C[C@@H]2C1 405397744 346665578 /nfs/dbraw/zinc/66/55/78/346665578.db2.gz OVMWFKDAPQEHKO-NXEZZACHSA-N 2 0 183.299 0.112 10 0 ACAERP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C1CC1 405398429 346665700 /nfs/dbraw/zinc/66/57/00/346665700.db2.gz PFCIKFAPKMKSFL-YUMQZZPRSA-N 2 0 154.257 0.864 10 0 ACAERP CC1(C)[C@@H]([NH2+]C2CC2)C[C@H]1[NH3+] 405398428 346665747 /nfs/dbraw/zinc/66/57/47/346665747.db2.gz PFCIKFAPKMKSFL-SFYZADRCSA-N 2 0 154.257 0.864 10 0 ACAERP CC(C)[N@@H+]1CCN2C[C@@H]([NH3+])C[C@H]2C1 405397745 346665766 /nfs/dbraw/zinc/66/57/66/346665766.db2.gz OVMWFKDAPQEHKO-UWVGGRQHSA-N 2 0 183.299 0.112 10 0 ACAERP C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405415012 346665950 /nfs/dbraw/zinc/66/59/50/346665950.db2.gz OGKYGAGEWORGIX-RQJHMYQMSA-N 2 0 140.230 0.476 10 0 ACAERP C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405415011 346666023 /nfs/dbraw/zinc/66/60/23/346666023.db2.gz OGKYGAGEWORGIX-RNFRBKRXSA-N 2 0 140.230 0.476 10 0 ACAERP CC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405421315 346666035 /nfs/dbraw/zinc/66/60/35/346666035.db2.gz PVTRINBLDQUSMH-JGVFFNPUSA-N 2 0 154.257 0.866 10 0 ACAERP CC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 405421317 346666092 /nfs/dbraw/zinc/66/60/92/346666092.db2.gz PVTRINBLDQUSMH-SFYZADRCSA-N 2 0 154.257 0.866 10 0 ACAERP C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 405415010 346666137 /nfs/dbraw/zinc/66/61/37/346666137.db2.gz OGKYGAGEWORGIX-NKWVEPMBSA-N 2 0 140.230 0.476 10 0 ACAERP CC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 405421319 346666173 /nfs/dbraw/zinc/66/61/73/346666173.db2.gz PVTRINBLDQUSMH-YUMQZZPRSA-N 2 0 154.257 0.866 10 0 ACAERP CC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 405421314 346666298 /nfs/dbraw/zinc/66/62/98/346666298.db2.gz PVTRINBLDQUSMH-HTQZYQBOSA-N 2 0 154.257 0.866 10 0 ACAERP C[C@@H]1OC[C@@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 405529384 346667255 /nfs/dbraw/zinc/66/72/55/346667255.db2.gz ARIXGJMALCNDAH-DJAYFPKFSA-N 2 0 184.283 0.489 10 0 ACAERP C[C@@H]1OC[C@@H]([NH2+]C2CC([NH3+])C2)[C@H]1C 405529389 346667335 /nfs/dbraw/zinc/66/73/35/346667335.db2.gz ARIXGJMALCNDAH-WHYYCLSJSA-N 2 0 184.283 0.489 10 0 ACAERP C[C@@H]1OC[C@H]([NH2+]C2CC([NH3+])C2)[C@@H]1C 405529379 346667361 /nfs/dbraw/zinc/66/73/61/346667361.db2.gz ARIXGJMALCNDAH-ACLMFKJJSA-N 2 0 184.283 0.489 10 0 ACAERP C[C@@H]1OC[C@H]([NH2+]C2CC([NH3+])C2)[C@H]1C 405529387 346667405 /nfs/dbraw/zinc/66/74/05/346667405.db2.gz ARIXGJMALCNDAH-MPJGXYLBSA-N 2 0 184.283 0.489 10 0 ACAERP C[C@]1([NH3+])CC[N@H+](C[C@@H]2CCOC2)C1 405768765 346673213 /nfs/dbraw/zinc/67/32/13/346673213.db2.gz CARFFLJQKAVYHI-UWVGGRQHSA-N 2 0 184.283 0.446 10 0 ACAERP C[C@]1([NH3+])CC[N@H+](C[C@H]2CCOC2)C1 405768768 346673267 /nfs/dbraw/zinc/67/32/67/346673267.db2.gz CARFFLJQKAVYHI-ZJUUUORDSA-N 2 0 184.283 0.446 10 0 ACAERP C[C@@]1([NH3+])CC[N@@H+](C2CCC2)C1 405770661 346673451 /nfs/dbraw/zinc/67/34/51/346673451.db2.gz DBBRGWGLOMMTPJ-SECBINFHSA-N 2 0 154.257 0.962 10 0 ACAERP C[C@@]1([NH3+])CC[N@H+](C[C@H]2CCOC2)C1 405768764 346673479 /nfs/dbraw/zinc/67/34/79/346673479.db2.gz CARFFLJQKAVYHI-NXEZZACHSA-N 2 0 184.283 0.446 10 0 ACAERP [NH3+]CC(F)(C[NH3+])CC(F)(F)F 575623249 346717314 /nfs/dbraw/zinc/71/73/14/346717314.db2.gz BPDUPMFPVUHOFM-UHFFFAOYSA-N 2 0 174.141 0.565 10 0 ACAERP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 405781000 346673863 /nfs/dbraw/zinc/67/38/63/346673863.db2.gz HHUWJKQSAHVNDP-UTLUCORTSA-N 2 0 184.283 0.323 10 0 ACAERP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCC[C@@H]2O)C1 405780999 346673973 /nfs/dbraw/zinc/67/39/73/346673973.db2.gz HHUWJKQSAHVNDP-GUBZILKMSA-N 2 0 184.283 0.323 10 0 ACAERP C[C@]1([NH3+])CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 405780997 346674099 /nfs/dbraw/zinc/67/40/99/346674099.db2.gz HHUWJKQSAHVNDP-BBBLOLIVSA-N 2 0 184.283 0.323 10 0 ACAERP C[C@]1([NH3+])CC[N@@H+]([C@H]2CCC[C@H]2O)C1 405780995 346674188 /nfs/dbraw/zinc/67/41/88/346674188.db2.gz HHUWJKQSAHVNDP-AEJSXWLSSA-N 2 0 184.283 0.323 10 0 ACAERP C[N@@H+]1CC[C@@H](N2CC[C@@](C)([NH3+])C2)C1 405805541 346674585 /nfs/dbraw/zinc/67/45/85/346674585.db2.gz RFZCZOSNDAYISI-NXEZZACHSA-N 2 0 183.299 0.114 10 0 ACAERP C[C@@]1([NH3+])CC[N@@H+](C2CCOCC2)C1 405808027 346674661 /nfs/dbraw/zinc/67/46/61/346674661.db2.gz RYBOOPJMDUZGAL-SNVBAGLBSA-N 2 0 184.283 0.589 10 0 ACAERP C[N@@H+]1CC[C@H](N2CC[C@@](C)([NH3+])C2)C1 405805550 346674690 /nfs/dbraw/zinc/67/46/90/346674690.db2.gz RFZCZOSNDAYISI-VHSXEESVSA-N 2 0 183.299 0.114 10 0 ACAERP C[N@@H+]1CC[C@H](N2CC[C@](C)([NH3+])C2)C1 405805546 346674700 /nfs/dbraw/zinc/67/47/00/346674700.db2.gz RFZCZOSNDAYISI-UWVGGRQHSA-N 2 0 183.299 0.114 10 0 ACAERP C[N@@H+]1CC[C@@H](N2CC[C@](C)([NH3+])C2)C1 405805555 346674998 /nfs/dbraw/zinc/67/49/98/346674998.db2.gz RFZCZOSNDAYISI-ZJUUUORDSA-N 2 0 183.299 0.114 10 0 ACAERP C[C@]1([NH3+])CC[N@@H+](C2CCOCC2)C1 405808026 346675104 /nfs/dbraw/zinc/67/51/04/346675104.db2.gz RYBOOPJMDUZGAL-JTQLQIEISA-N 2 0 184.283 0.589 10 0 ACAERP C[C@@]1([NH3+])CC[N@H+](CC2CC2)C1 405836120 346675629 /nfs/dbraw/zinc/67/56/29/346675629.db2.gz UMIAOIJOTQRJNZ-SECBINFHSA-N 2 0 154.257 0.820 10 0 ACAERP C[C@]1([NH3+])CC[N@H+](CC2CC2)C1 405836121 346675793 /nfs/dbraw/zinc/67/57/93/346675793.db2.gz UMIAOIJOTQRJNZ-VIFPVBQESA-N 2 0 154.257 0.820 10 0 ACAERP C1C[C@@H]2[C@H](C[NH2+]1)COCC[N@H+]2C1CC1 409423451 346680420 /nfs/dbraw/zinc/68/04/20/346680420.db2.gz OGVBINLXGAPQIA-MWLCHTKSSA-N 2 0 196.294 0.459 10 0 ACAERP CCC[N@@H+]1CCOC[C@@H]2C[NH2+]CC[C@H]21 409423462 346680459 /nfs/dbraw/zinc/68/04/59/346680459.db2.gz OJDDRHAMRMEFQL-WDEREUQCSA-N 2 0 198.310 0.707 10 0 ACAERP C1C[C@H]2[C@H](C[NH2+]1)COCC[N@H+]2C1CC1 409423450 346680533 /nfs/dbraw/zinc/68/05/33/346680533.db2.gz OGVBINLXGAPQIA-KOLCDFICSA-N 2 0 196.294 0.459 10 0 ACAERP CCC[N@@H+]1CCOC[C@@H]2C[NH2+]CC[C@@H]21 409423461 346680629 /nfs/dbraw/zinc/68/06/29/346680629.db2.gz OJDDRHAMRMEFQL-QWRGUYRKSA-N 2 0 198.310 0.707 10 0 ACAERP C1C[C@@H]2[C@@H](C[NH2+]1)COCC[N@H+]2C1CC1 409423449 346680667 /nfs/dbraw/zinc/68/06/67/346680667.db2.gz OGVBINLXGAPQIA-GXSJLCMTSA-N 2 0 196.294 0.459 10 0 ACAERP CCC[N@@H+]1CCOC[C@H]2C[NH2+]CC[C@@H]21 409423460 346680683 /nfs/dbraw/zinc/68/06/83/346680683.db2.gz OJDDRHAMRMEFQL-MNOVXSKESA-N 2 0 198.310 0.707 10 0 ACAERP CCC[N@@H+]1CCOC[C@H]2C[NH2+]CC[C@H]21 409423459 346680767 /nfs/dbraw/zinc/68/07/67/346680767.db2.gz OJDDRHAMRMEFQL-GHMZBOCLSA-N 2 0 198.310 0.707 10 0 ACAERP C1C[C@H]2[C@@H](C[NH2+]1)COCC[N@H+]2C1CC1 409423453 346680811 /nfs/dbraw/zinc/68/08/11/346680811.db2.gz OGVBINLXGAPQIA-ONGXEEELSA-N 2 0 196.294 0.459 10 0 ACAERP Cc1ccc([C@@H]2C[NH2+]C[C@@H]2N)o1 409423933 346681122 /nfs/dbraw/zinc/68/11/22/346681122.db2.gz WCMNBISCKXRCMX-SFYZADRCSA-N 2 0 166.224 0.602 10 0 ACAERP Cc1ccc([C@H]2C[NH2+]C[C@@H]2N)o1 409423934 346681136 /nfs/dbraw/zinc/68/11/36/346681136.db2.gz WCMNBISCKXRCMX-YUMQZZPRSA-N 2 0 166.224 0.602 10 0 ACAERP Cc1ccc([C@@H]2C[NH2+]C[C@H]2N)o1 409423931 346681171 /nfs/dbraw/zinc/68/11/71/346681171.db2.gz WCMNBISCKXRCMX-HTQZYQBOSA-N 2 0 166.224 0.602 10 0 ACAERP Cc1ccc([C@H]2C[NH2+]C[C@H]2N)o1 409423932 346681271 /nfs/dbraw/zinc/68/12/71/346681271.db2.gz WCMNBISCKXRCMX-JGVFFNPUSA-N 2 0 166.224 0.602 10 0 ACAERP [NH3+]CCC[NH+]1CCC2(CC1)COC2 409423767 346681278 /nfs/dbraw/zinc/68/12/78/346681278.db2.gz AJLITMFVJOKYAY-UHFFFAOYSA-N 2 0 184.283 0.448 10 0 ACAERP CC1(C)CC(C[NH3+])(C[NH3+])C1 409424086 346681506 /nfs/dbraw/zinc/68/15/06/346681506.db2.gz FALOKPFYZCRDIM-UHFFFAOYSA-N 2 0 142.246 0.710 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 409424417 346681873 /nfs/dbraw/zinc/68/18/73/346681873.db2.gz BVFZHUOHLIMXPE-NXEZZACHSA-N 2 0 184.283 0.304 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 409424419 346681921 /nfs/dbraw/zinc/68/19/21/346681921.db2.gz BVFZHUOHLIMXPE-UWVGGRQHSA-N 2 0 184.283 0.304 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@H]2COC[C@H]2C1 409424420 346681958 /nfs/dbraw/zinc/68/19/58/346681958.db2.gz BVFZHUOHLIMXPE-VHSXEESVSA-N 2 0 184.283 0.304 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 409424421 346682038 /nfs/dbraw/zinc/68/20/38/346682038.db2.gz BVFZHUOHLIMXPE-ZJUUUORDSA-N 2 0 184.283 0.304 10 0 ACAERP CC(=O)CN1CCC[C@@H](C[NH3+])C1 409424833 346682614 /nfs/dbraw/zinc/68/26/14/346682614.db2.gz YNLPNFMMMJGECC-VIFPVBQESA-N 2 0 170.256 0.246 10 0 ACAERP CC(=O)CN1CCC[C@H](C[NH3+])C1 409424832 346682639 /nfs/dbraw/zinc/68/26/39/346682639.db2.gz YNLPNFMMMJGECC-SECBINFHSA-N 2 0 170.256 0.246 10 0 ACAERP C[C@@H](O)[C@H]1CCC[N@H+](CCC[NH3+])C1 409425823 346683161 /nfs/dbraw/zinc/68/31/61/346683161.db2.gz GXOKFPBRBZUYJH-ZJUUUORDSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@H](O)[C@H]1CCCN(CC[NH3+])C1 409425501 346683186 /nfs/dbraw/zinc/68/31/86/346683186.db2.gz GGANICCFFQWFTE-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@@H](O)[C@@H]1CCCN(CC[NH3+])C1 409425504 346683194 /nfs/dbraw/zinc/68/31/94/346683194.db2.gz GGANICCFFQWFTE-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP CC[C@@H]1CN(CC[NH3+])CC[C@@H]1O 409425667 346683314 /nfs/dbraw/zinc/68/33/14/346683314.db2.gz BCAMHYQTPCECKV-BDAKNGLRSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@H](O)[C@H]1CCCN(CC[NH3+])C1 409425503 346683252 /nfs/dbraw/zinc/68/32/52/346683252.db2.gz GGANICCFFQWFTE-IUCAKERBSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@H](O)[C@@H]1CCCN(CC[NH3+])C1 409425502 346683274 /nfs/dbraw/zinc/68/32/74/346683274.db2.gz GGANICCFFQWFTE-DTWKUNHWSA-N 2 0 172.272 0.038 10 0 ACAERP CC[C@@H]1CN(CC[NH3+])CC[C@H]1O 409425670 346683298 /nfs/dbraw/zinc/68/32/98/346683298.db2.gz BCAMHYQTPCECKV-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP CC[C@H]1CN(CC[NH3+])CC[C@H]1O 409425668 346683343 /nfs/dbraw/zinc/68/33/43/346683343.db2.gz BCAMHYQTPCECKV-DTWKUNHWSA-N 2 0 172.272 0.038 10 0 ACAERP CC[C@H]1CN(CC[NH3+])CC[C@@H]1O 409425669 346683397 /nfs/dbraw/zinc/68/33/97/346683397.db2.gz BCAMHYQTPCECKV-IUCAKERBSA-N 2 0 172.272 0.038 10 0 ACAERP C[C@H](O)[C@H]1CCC[N@H+](CCC[NH3+])C1 409425820 346683430 /nfs/dbraw/zinc/68/34/30/346683430.db2.gz GXOKFPBRBZUYJH-UWVGGRQHSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@H](O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 409425822 346683467 /nfs/dbraw/zinc/68/34/67/346683467.db2.gz GXOKFPBRBZUYJH-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@H](O)[C@@H]1CCC[N@H+](CCC[NH3+])C1 409425815 346683484 /nfs/dbraw/zinc/68/34/84/346683484.db2.gz GXOKFPBRBZUYJH-NXEZZACHSA-N 2 0 186.299 0.428 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@]2(CCCCO2)C1 409426016 346683933 /nfs/dbraw/zinc/68/39/33/346683933.db2.gz HFZIQLSRMIXXLO-LLVKDONJSA-N 2 0 198.310 0.980 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@@]2(CCCCO2)C1 409426018 346683988 /nfs/dbraw/zinc/68/39/88/346683988.db2.gz HFZIQLSRMIXXLO-NSHDSACASA-N 2 0 198.310 0.980 10 0 ACAERP [NH3+]Cc1cn(C2CCC([NH3+])CC2)nn1 409426129 346683993 /nfs/dbraw/zinc/68/39/93/346683993.db2.gz OJOSKAZNSBVUAU-UHFFFAOYSA-N 2 0 195.270 0.179 10 0 ACAERP CC(C)CC[NH+]1CCN(C(N)=[NH2+])CC1 409426144 346684236 /nfs/dbraw/zinc/68/42/36/346684236.db2.gz HOLGBRDXJVSBGD-UHFFFAOYSA-N 2 0 198.314 0.544 10 0 ACAERP C[N@@H+]1C[C@@H]2C[NH2+][C@H](C3CC3)[C@@H]2C1 409426672 346684602 /nfs/dbraw/zinc/68/46/02/346684602.db2.gz FWRSTGRMPFZISP-IVZWLZJFSA-N 2 0 166.268 0.546 10 0 ACAERP C[N@@H+]1C[C@@H]2C[NH2+][C@H](C3CC3)[C@H]2C1 409426673 346684717 /nfs/dbraw/zinc/68/47/17/346684717.db2.gz FWRSTGRMPFZISP-LPEHRKFASA-N 2 0 166.268 0.546 10 0 ACAERP C[N@@H+]1C[C@@H]2C[NH2+][C@@H](C3CC3)[C@H]2C1 409426670 346685035 /nfs/dbraw/zinc/68/50/35/346685035.db2.gz FWRSTGRMPFZISP-GUBZILKMSA-N 2 0 166.268 0.546 10 0 ACAERP C[N@@H+]1C[C@@H]2C[NH2+][C@@H](C3CC3)[C@@H]2C1 409426663 346685172 /nfs/dbraw/zinc/68/51/72/346685172.db2.gz FWRSTGRMPFZISP-AEJSXWLSSA-N 2 0 166.268 0.546 10 0 ACAERP CCC[C@@H]1CN(CC[NH3+])CC[C@@H]1O 409428365 346686896 /nfs/dbraw/zinc/68/68/96/346686896.db2.gz GJNYGAVADKKBDS-ZJUUUORDSA-N 2 0 186.299 0.428 10 0 ACAERP CC(C)[C@@H]1[NH2+]C[C@@H]2C[N@H+](C)C[C@@H]12 409428180 346686992 /nfs/dbraw/zinc/68/69/92/346686992.db2.gz MCFKMHOJBKQAFF-BBBLOLIVSA-N 2 0 168.284 0.792 10 0 ACAERP CCC[C@@H]1CN(CC[NH3+])CC[C@H]1O 409428361 346687098 /nfs/dbraw/zinc/68/70/98/346687098.db2.gz GJNYGAVADKKBDS-NXEZZACHSA-N 2 0 186.299 0.428 10 0 ACAERP CC(C)[C@@H]1[NH2+]C[C@H]2C[N@H+](C)C[C@H]21 409428179 346687127 /nfs/dbraw/zinc/68/71/27/346687127.db2.gz MCFKMHOJBKQAFF-AEJSXWLSSA-N 2 0 168.284 0.792 10 0 ACAERP CCC[C@H]1CN(CC[NH3+])CC[C@H]1O 409428364 346687164 /nfs/dbraw/zinc/68/71/64/346687164.db2.gz GJNYGAVADKKBDS-VHSXEESVSA-N 2 0 186.299 0.428 10 0 ACAERP CC(C)[C@@H]1[NH2+]C[C@H]2C[N@H+](C)C[C@@H]21 409428182 346687214 /nfs/dbraw/zinc/68/72/14/346687214.db2.gz MCFKMHOJBKQAFF-GUBZILKMSA-N 2 0 168.284 0.792 10 0 ACAERP CCC[C@H]1CN(CC[NH3+])CC[C@@H]1O 409428363 346687271 /nfs/dbraw/zinc/68/72/71/346687271.db2.gz GJNYGAVADKKBDS-UWVGGRQHSA-N 2 0 186.299 0.428 10 0 ACAERP CC(C)[C@@H]1[NH2+]C[C@@H]2C[N@H+](C)C[C@H]12 409428185 346687376 /nfs/dbraw/zinc/68/73/76/346687376.db2.gz MCFKMHOJBKQAFF-UTLUCORTSA-N 2 0 168.284 0.792 10 0 ACAERP C[NH+](C)CCC1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 409428905 346687923 /nfs/dbraw/zinc/68/79/23/346687923.db2.gz BOSCXAQKAAFNJY-ZACCUICWSA-N 2 0 198.310 0.584 10 0 ACAERP CC[N@@H+]1CCO[C@@H](C2CC[NH2+]CC2)C1 409429536 346688522 /nfs/dbraw/zinc/68/85/22/346688522.db2.gz CQNKTTUVFQDRDH-LLVKDONJSA-N 2 0 198.310 0.707 10 0 ACAERP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1CO 409428992 346688574 /nfs/dbraw/zinc/68/85/74/346688574.db2.gz NLLOYUHXYYGXBJ-UWVGGRQHSA-N 2 0 198.310 0.299 10 0 ACAERP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1CO 409428994 346688706 /nfs/dbraw/zinc/68/87/06/346688706.db2.gz NLLOYUHXYYGXBJ-ZJUUUORDSA-N 2 0 198.310 0.299 10 0 ACAERP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CO 409428989 346688809 /nfs/dbraw/zinc/68/88/09/346688809.db2.gz NLLOYUHXYYGXBJ-NXEZZACHSA-N 2 0 198.310 0.299 10 0 ACAERP C[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1CO 409428993 346688865 /nfs/dbraw/zinc/68/88/65/346688865.db2.gz NLLOYUHXYYGXBJ-VHSXEESVSA-N 2 0 198.310 0.299 10 0 ACAERP CC[N@@H+]1CCO[C@H](C2CC[NH2+]CC2)C1 409429538 346688897 /nfs/dbraw/zinc/68/88/97/346688897.db2.gz CQNKTTUVFQDRDH-NSHDSACASA-N 2 0 198.310 0.707 10 0 ACAERP C[C@@H](O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 409430233 346690089 /nfs/dbraw/zinc/69/00/89/346690089.db2.gz QDLPSQGZKCIQQD-KOLCDFICSA-N 2 0 198.310 0.584 10 0 ACAERP C[C@H](O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 409430232 346690106 /nfs/dbraw/zinc/69/01/06/346690106.db2.gz QDLPSQGZKCIQQD-GXSJLCMTSA-N 2 0 198.310 0.584 10 0 ACAERP C[C@@H](O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 409430234 346690141 /nfs/dbraw/zinc/69/01/41/346690141.db2.gz QDLPSQGZKCIQQD-MWLCHTKSSA-N 2 0 198.310 0.584 10 0 ACAERP C[C@H](O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 409430235 346690279 /nfs/dbraw/zinc/69/02/79/346690279.db2.gz QDLPSQGZKCIQQD-ONGXEEELSA-N 2 0 198.310 0.584 10 0 ACAERP C[C@@H]1[NH2+]C[C@@H]2C[N@H+](C)C[C@H]12 409430739 346690737 /nfs/dbraw/zinc/69/07/37/346690737.db2.gz WOQWFQIDYFJUTE-XLPZGREQSA-N 2 0 140.230 0.156 10 0 ACAERP C[N@H+]1CC=C([C@H]2C[NH2+]CCO2)CC1 409430537 346690745 /nfs/dbraw/zinc/69/07/45/346690745.db2.gz GXXDDZPXGVOZJK-SNVBAGLBSA-N 2 0 182.267 0.237 10 0 ACAERP C[N@H+]1CC=C([C@@H]2C[NH2+]CCO2)CC1 409430534 346690788 /nfs/dbraw/zinc/69/07/88/346690788.db2.gz GXXDDZPXGVOZJK-JTQLQIEISA-N 2 0 182.267 0.237 10 0 ACAERP C[C@@H]1[NH2+]C[C@H]2C[N@H+](C)C[C@H]21 409430735 346690928 /nfs/dbraw/zinc/69/09/28/346690928.db2.gz WOQWFQIDYFJUTE-FXQIFTODSA-N 2 0 140.230 0.156 10 0 ACAERP C[C@@H]1[NH2+]C[C@H]2C[N@H+](C)C[C@@H]21 409430720 346691007 /nfs/dbraw/zinc/69/10/07/346691007.db2.gz WOQWFQIDYFJUTE-BIIVOSGPSA-N 2 0 140.230 0.156 10 0 ACAERP C[C@@H]1[NH2+]C[C@@H]2C[N@H+](C)C[C@@H]12 409430737 346691082 /nfs/dbraw/zinc/69/10/82/346691082.db2.gz WOQWFQIDYFJUTE-RNJXMRFFSA-N 2 0 140.230 0.156 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@@H](C(F)F)C1 409431116 346691690 /nfs/dbraw/zinc/69/16/90/346691690.db2.gz RZRATLXYXFHWDH-SSDOTTSWSA-N 2 0 178.226 0.922 10 0 ACAERP [NH3+]CCC[N@@H+]1CC[C@H](C(F)F)C1 409431117 346691777 /nfs/dbraw/zinc/69/17/77/346691777.db2.gz RZRATLXYXFHWDH-ZETCQYMHSA-N 2 0 178.226 0.922 10 0 ACAERP 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/nfs/dbraw/zinc/13/01/22/347130122.db2.gz BYTNDHFAZOKTNH-SNVBAGLBSA-N 2 0 185.315 0.361 10 0 ACAERP C[NH2+][C@@H]1CCCCN(CC[NH3+])C1 616629768 347130879 /nfs/dbraw/zinc/13/08/79/347130879.db2.gz QBCAQDZEIWSSDI-SECBINFHSA-N 2 0 171.288 0.019 10 0 ACAERP CC(C)(C)[N@@H+]1CCN[C@@H](CC[NH3+])C1 616632363 347132766 /nfs/dbraw/zinc/13/27/66/347132766.db2.gz OKYCWAMXZATNPS-VIFPVBQESA-N 2 0 185.315 0.408 10 0 ACAERP CC(C)[N@@H+]1CCN[C@H](CC[NH3+])C1 616632987 347133877 /nfs/dbraw/zinc/13/38/77/347133877.db2.gz UKXURMBIUZAESK-SECBINFHSA-N 2 0 171.288 0.017 10 0 ACAERP CC(C)[N@@H+]1CCN[C@@H](CC[NH3+])C1 616632637 347134042 /nfs/dbraw/zinc/13/40/42/347134042.db2.gz UKXURMBIUZAESK-VIFPVBQESA-N 2 0 171.288 0.017 10 0 ACAERP CC(C)(C)[N@@H+]1CCN[C@H](CC[NH3+])C1 616632696 347134282 /nfs/dbraw/zinc/13/42/82/347134282.db2.gz OKYCWAMXZATNPS-SECBINFHSA-N 2 0 185.315 0.408 10 0 ACAERP CC(C)(C)[C@@H]1CN(CC[NH3+])CC[NH2+]1 616633551 347135501 /nfs/dbraw/zinc/13/55/01/347135501.db2.gz CAWLMHHZESILQD-VIFPVBQESA-N 2 0 185.315 0.265 10 0 ACAERP CC(C)(C)N1CC[NH2+]C[C@H]1CC[NH3+] 616637729 347139236 /nfs/dbraw/zinc/13/92/36/347139236.db2.gz PZGHHEPCKBBUTR-SECBINFHSA-N 2 0 185.315 0.408 10 0 ACAERP CC[N@@H+]1CCCOC[C@@H]1CC[NH3+] 616645176 347145366 /nfs/dbraw/zinc/14/53/66/347145366.db2.gz HPIVOLVDXUBUMH-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CC(C)[N@@H+]1CCCOC[C@@H]1CC[NH3+] 616646797 347147146 /nfs/dbraw/zinc/14/71/46/347147146.db2.gz WHDXDMVLJKKFAC-JTQLQIEISA-N 2 0 186.299 0.835 10 0 ACAERP CC[N@@H+]1CCCOC[C@H]1CC[NH3+] 616648940 347149164 /nfs/dbraw/zinc/14/91/64/347149164.db2.gz HPIVOLVDXUBUMH-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP CC[N@@H+]1CCCO[C@H](CC[NH3+])C1 616649378 347149725 /nfs/dbraw/zinc/14/97/25/347149725.db2.gz GXUHXJLBRZLOFS-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP CC(C)[N@@H+]1CCCOC[C@H]1CC[NH3+] 616650034 347151032 /nfs/dbraw/zinc/15/10/32/347151032.db2.gz WHDXDMVLJKKFAC-SNVBAGLBSA-N 2 0 186.299 0.835 10 0 ACAERP CC(C)[N@@H+]1CCCO[C@H](CC[NH3+])C1 616650325 347151179 /nfs/dbraw/zinc/15/11/79/347151179.db2.gz WXUUNMPNKWIMPU-SNVBAGLBSA-N 2 0 186.299 0.835 10 0 ACAERP C[N@@H+]1CCCO[C@H](CC[NH3+])C1 616651809 347151675 /nfs/dbraw/zinc/15/16/75/347151675.db2.gz PRZUYYKUYHCBFX-MRVPVSSYSA-N 2 0 158.245 0.056 10 0 ACAERP C[N@@H+]1CCCO[C@@H](CC[NH3+])C1 616652537 347152606 /nfs/dbraw/zinc/15/26/06/347152606.db2.gz PRZUYYKUYHCBFX-QMMMGPOBSA-N 2 0 158.245 0.056 10 0 ACAERP CC[N@@H+]1CCCO[C@@H](CC[NH3+])C1 616652582 347153664 /nfs/dbraw/zinc/15/36/64/347153664.db2.gz GXUHXJLBRZLOFS-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CC(C)[N@@H+]1CCCO[C@@H](CC[NH3+])C1 616653867 347155019 /nfs/dbraw/zinc/15/50/19/347155019.db2.gz WXUUNMPNKWIMPU-JTQLQIEISA-N 2 0 186.299 0.835 10 0 ACAERP C[N@@H+]1CCOCC[C@@H]1CC[NH3+] 616655617 347155667 /nfs/dbraw/zinc/15/56/67/347155667.db2.gz ICPHELZMHKHJEI-QMMMGPOBSA-N 2 0 158.245 0.056 10 0 ACAERP CC[N@@H+]1CCOCC[C@@H]1CC[NH3+] 616655398 347155765 /nfs/dbraw/zinc/15/57/65/347155765.db2.gz DCFIYSUUPVUCBV-VIFPVBQESA-N 2 0 172.272 0.446 10 0 ACAERP CC[N@@H+]1CCOCC[C@H]1CC[NH3+] 616656249 347156682 /nfs/dbraw/zinc/15/66/82/347156682.db2.gz DCFIYSUUPVUCBV-SECBINFHSA-N 2 0 172.272 0.446 10 0 ACAERP CC(C)[N@@H+]1CCOCC[C@@H]1CC[NH3+] 616656467 347157835 /nfs/dbraw/zinc/15/78/35/347157835.db2.gz VTOUODUUITWSDZ-JTQLQIEISA-N 2 0 186.299 0.835 10 0 ACAERP C[N@@H+]1CCOCC[C@H]1CC[NH3+] 616656842 347157861 /nfs/dbraw/zinc/15/78/61/347157861.db2.gz ICPHELZMHKHJEI-MRVPVSSYSA-N 2 0 158.245 0.056 10 0 ACAERP CC(C)(C)[N@@H+]1CCOC[C@H](C[NH3+])C1 616658012 347158778 /nfs/dbraw/zinc/15/87/78/347158778.db2.gz ALPIRZBXAVMUSH-SECBINFHSA-N 2 0 186.299 0.692 10 0 ACAERP CC(C)[N@@H+]1CCOCC[C@H]1CC[NH3+] 616657308 347158852 /nfs/dbraw/zinc/15/88/52/347158852.db2.gz VTOUODUUITWSDZ-SNVBAGLBSA-N 2 0 186.299 0.835 10 0 ACAERP CC(C)(C)[N@@H+]1CCOC[C@@H](C[NH3+])C1 616658981 347159674 /nfs/dbraw/zinc/15/96/74/347159674.db2.gz ALPIRZBXAVMUSH-VIFPVBQESA-N 2 0 186.299 0.692 10 0 ACAERP CC(C)[N@@H+]1CCOC[C@H](CC[NH3+])C1 616658984 347159694 /nfs/dbraw/zinc/15/96/94/347159694.db2.gz FYUAMIFFKYDYON-SNVBAGLBSA-N 2 0 186.299 0.692 10 0 ACAERP CC(C)[N@@H+]1CCOC[C@@H](CC[NH3+])C1 616660318 347160591 /nfs/dbraw/zinc/16/05/91/347160591.db2.gz FYUAMIFFKYDYON-JTQLQIEISA-N 2 0 186.299 0.692 10 0 ACAERP CC[N@@H+]1CCOC[C@H](CC[NH3+])C1 616659488 347160924 /nfs/dbraw/zinc/16/09/24/347160924.db2.gz KIPQXSYRJWXFNT-SECBINFHSA-N 2 0 172.272 0.304 10 0 ACAERP CC[N@@H+]1CCOC[C@@H](CC[NH3+])C1 616660571 347161736 /nfs/dbraw/zinc/16/17/36/347161736.db2.gz KIPQXSYRJWXFNT-VIFPVBQESA-N 2 0 172.272 0.304 10 0 ACAERP CC(C)[N@@H+]1CCOC[C@H](C[NH3+])C1 616662059 347162448 /nfs/dbraw/zinc/16/24/48/347162448.db2.gz ZUSXGGSUSYWUCD-SECBINFHSA-N 2 0 172.272 0.302 10 0 ACAERP CC(C)[N@@H+]1CCOC[C@@H](C[NH3+])C1 616662266 347162513 /nfs/dbraw/zinc/16/25/13/347162513.db2.gz ZUSXGGSUSYWUCD-VIFPVBQESA-N 2 0 172.272 0.302 10 0 ACAERP CC(C)(C)[N@@H+]1CCO[C@@H](C[NH3+])CC1 616666062 347165030 /nfs/dbraw/zinc/16/50/30/347165030.db2.gz FLQOGORXNMHKME-SECBINFHSA-N 2 0 186.299 0.835 10 0 ACAERP CC(C)[N@@H+]1CCO[C@@H](CC[NH3+])CC1 616666535 347165547 /nfs/dbraw/zinc/16/55/47/347165547.db2.gz XJGTUDSASQZTCT-JTQLQIEISA-N 2 0 186.299 0.835 10 0 ACAERP CC(C)[N@@H+]1CCO[C@@H](C[NH3+])CC1 616666349 347165557 /nfs/dbraw/zinc/16/55/57/347165557.db2.gz PEKVUBVQVJERQP-SECBINFHSA-N 2 0 172.272 0.444 10 0 ACAERP [NH3+]CCN1CC[C@@H]([NH3+])c2ccccc21 616673575 347166717 /nfs/dbraw/zinc/16/67/17/347166717.db2.gz CFNYHLSEEDLZLO-SNVBAGLBSA-N 2 0 191.278 0.855 10 0 ACAERP [NH3+]CCN1CC[C@H]([NH3+])c2ccccc21 616674247 347166766 /nfs/dbraw/zinc/16/67/66/347166766.db2.gz CFNYHLSEEDLZLO-JTQLQIEISA-N 2 0 191.278 0.855 10 0 ACAERP CC(C)(C)[N@@H+]1CCO[C@H](C[NH3+])CC1 616684173 347167955 /nfs/dbraw/zinc/16/79/55/347167955.db2.gz FLQOGORXNMHKME-VIFPVBQESA-N 2 0 186.299 0.835 10 0 ACAERP C[N@@H+]1CCO[C@H](CC[NH3+])CC1 616687383 347168804 /nfs/dbraw/zinc/16/88/04/347168804.db2.gz 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HATCCUNVSICKOE-UKKRHICBSA-N 2 0 197.326 0.277 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC([NH3+])CC1 629546090 347348009 /nfs/dbraw/zinc/34/80/09/347348009.db2.gz MPUZMUQBWIENEH-IDWGSYCQSA-N 3 0 197.326 0.596 10 0 ACAERP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C 629548505 347348016 /nfs/dbraw/zinc/34/80/16/347348016.db2.gz ZWQHHPOHFWSGMU-MMWGEVLESA-N 2 0 197.326 0.324 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1C[NH3+] 629548420 347348019 /nfs/dbraw/zinc/34/80/19/347348019.db2.gz ZNGISGQPLJSEAJ-UKKRHICBSA-N 2 0 197.326 0.454 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] 629546425 347348063 /nfs/dbraw/zinc/34/80/63/347348063.db2.gz PSCLTJQUWBOCSH-AXTSPUMRSA-N 2 0 183.299 0.206 10 0 ACAERP C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[NH2+][C@H]1C 629548506 347348090 /nfs/dbraw/zinc/34/80/90/347348090.db2.gz ZWQHHPOHFWSGMU-UKKRHICBSA-N 2 0 197.326 0.324 10 0 ACAERP C[C@@H](C[C@@H](C)[NH3+])N[C@@H]1CC[NH2+][C@H]1C 629548281 347348094 /nfs/dbraw/zinc/34/80/94/347348094.db2.gz YLWYGPXJVMEQAE-XFWSIPNHSA-N 2 0 185.315 0.452 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[NH2+]CC1 629548162 347348097 /nfs/dbraw/zinc/34/80/97/347348097.db2.gz XCYREACKGDXUQT-HBNTYKKESA-N 2 0 197.326 0.469 10 0 ACAERP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1CCOC1 629547002 347348149 /nfs/dbraw/zinc/34/81/49/347348149.db2.gz DMIFXPRUCXRQEJ-UKKRHICBSA-N 2 0 198.310 0.751 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H]1[NH3+] 629546427 347348179 /nfs/dbraw/zinc/34/81/79/347348179.db2.gz PSCLTJQUWBOCSH-JLIMGVALSA-N 2 0 183.299 0.206 10 0 ACAERP C[C@@H](NC[C@@H]1CCC[N@@H+]1C)C1C[NH2+]C1 629547610 347348189 /nfs/dbraw/zinc/34/81/89/347348189.db2.gz CBVJKQMCAJAVIP-KOLCDFICSA-N 2 0 197.326 0.278 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H]1C[NH3+] 629548424 347348213 /nfs/dbraw/zinc/34/82/13/347348213.db2.gz ZNGISGQPLJSEAJ-ZDCRXTMVSA-N 2 0 197.326 0.454 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H]1CCOC1 629547003 347348218 /nfs/dbraw/zinc/34/82/18/347348218.db2.gz DMIFXPRUCXRQEJ-VPOLOUISSA-N 2 0 198.310 0.751 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@@H](C)[NH3+] 629548278 347348223 /nfs/dbraw/zinc/34/82/23/347348223.db2.gz YLWYGPXJVMEQAE-DOLQZWNJSA-N 2 0 185.315 0.452 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[NH3+] 629550824 347348617 /nfs/dbraw/zinc/34/86/17/347348617.db2.gz PFOFFWXGKDTJKM-GARJFASQSA-N 2 0 197.326 0.550 10 0 ACAERP C[C@@H](C[C@@H](C)[NH3+])NC[C@@H]1CCC[N@@H+]1C 629550361 347348668 /nfs/dbraw/zinc/34/86/68/347348668.db2.gz MERFNVDFOVWEFP-VWYCJHECSA-N 2 0 199.342 0.796 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@H]1[NH3+] 629550820 347349081 /nfs/dbraw/zinc/34/90/81/347349081.db2.gz PFOFFWXGKDTJKM-AXFHLTTASA-N 2 0 197.326 0.550 10 0 ACAERP C[N@@H+]1CCC[C@H]1CN[C@H]1CCC[C@@H]1[NH3+] 629550823 347349107 /nfs/dbraw/zinc/34/91/07/347349107.db2.gz PFOFFWXGKDTJKM-DCAQKATOSA-N 2 0 197.326 0.550 10 0 ACAERP C[C@@H]([NH3+])C[C@@H](C)NC[C@@H]1CCC[N@@H+]1C 629550360 347349118 /nfs/dbraw/zinc/34/91/18/347349118.db2.gz 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DHPJIVVEOFUCDQ-AEJSXWLSSA-N 2 0 166.268 0.690 10 0 ACAERP C1C[C@H](C[N@@H+]2CC[C@H]3C[C@H]32)C[NH2+]1 259650057 351877611 /nfs/dbraw/zinc/87/76/11/351877611.db2.gz DHPJIVVEOFUCDQ-LPEHRKFASA-N 2 0 166.268 0.690 10 0 ACAERP C1CC([NH2+]C2CSC2)CC[NH2+]1 259728470 351878639 /nfs/dbraw/zinc/87/86/39/351878639.db2.gz MKPWMNUULSDJPJ-UHFFFAOYSA-N 2 0 172.297 0.443 10 0 ACAERP [NH3+]Cc1cnccc1N1CCC1 259810245 351880081 /nfs/dbraw/zinc/88/00/81/351880081.db2.gz SNKSJAYTCBBRLA-UHFFFAOYSA-N 2 0 163.224 0.750 10 0 ACAERP CC[NH+]1CCC(F)(C[NH3+])CC1 259882303 351881124 /nfs/dbraw/zinc/88/11/24/351881124.db2.gz YMXXUKOPWRAPKW-UHFFFAOYSA-N 2 0 160.236 0.769 10 0 ACAERP C[C@H]([NH3+])CN1CC[C@H]2C[C@H]21 260121687 351883442 /nfs/dbraw/zinc/88/34/42/351883442.db2.gz PNOLSJGFCBLZAO-BIIVOSGPSA-N 2 0 140.230 0.428 10 0 ACAERP CC(C)([NH3+])C[N@@H+]1CC[C@H]2C[C@H]21 260260375 351884255 /nfs/dbraw/zinc/88/42/55/351884255.db2.gz XAHTYSWSCGMNFS-JGVFFNPUSA-N 2 0 154.257 0.818 10 0 ACAERP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2C[C@@H]21 260260377 351884363 /nfs/dbraw/zinc/88/43/63/351884363.db2.gz XAHTYSWSCGMNFS-SFYZADRCSA-N 2 0 154.257 0.818 10 0 ACAERP C[N@@H+]1C[C@@H]2CC[C@H](C1)[C@@H]2[NH3+] 261507975 351891850 /nfs/dbraw/zinc/89/18/50/351891850.db2.gz OMNZTTYSHLWCDQ-JIGDXULJSA-N 2 0 140.230 0.285 10 0 ACAERP CC(C)C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300049212 351895209 /nfs/dbraw/zinc/89/52/09/351895209.db2.gz QKJAQYWUAJHLAC-DTWKUNHWSA-N 2 0 156.273 0.921 10 0 ACAERP CC(C)([NH3+])C[NH+]1CCC(C[NH3+])CC1 306151091 351899529 /nfs/dbraw/zinc/89/95/29/351899529.db2.gz BMFVHWIREDREPP-UHFFFAOYSA-N 3 0 185.315 0.394 10 0 ACAERP CC[NH+]1CC(N2CCC[C@@H]([NH3+])C2)C1 306156403 351901349 /nfs/dbraw/zinc/90/13/49/351901349.db2.gz BMDHILLUNJIFJL-SECBINFHSA-N 2 0 183.299 0.114 10 0 ACAERP CC[NH+]1CC(N2CCC[C@H]([NH3+])C2)C1 306156404 351901606 /nfs/dbraw/zinc/90/16/06/351901606.db2.gz BMDHILLUNJIFJL-VIFPVBQESA-N 2 0 183.299 0.114 10 0 ACAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC1CC1 306203935 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BERFKVFOLVJVAI-WOOKNIGNSA-N 2 0 184.283 0.097 10 0 ACAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CC(O)C1 306294149 351918099 /nfs/dbraw/zinc/91/80/99/351918099.db2.gz BERFKVFOLVJVAI-NFTFJBJSSA-N 2 0 184.283 0.097 10 0 ACAERP C[C@@H]1[C@H]([NH3+])CCN1CC(C)(C)[NH3+] 306313915 351918990 /nfs/dbraw/zinc/91/89/90/351918990.db2.gz OXIZBEMFCRNASC-HTQZYQBOSA-N 2 0 171.288 0.145 10 0 ACAERP C[C@@H]1[C@@H]([NH3+])CCN1CC(C)(C)[NH3+] 306313918 351919057 /nfs/dbraw/zinc/91/90/57/351919057.db2.gz OXIZBEMFCRNASC-SFYZADRCSA-N 2 0 171.288 0.145 10 0 ACAERP COC[C@H](C)N1CC[C@H]([NH3+])[C@@H]1C 306363958 351923947 /nfs/dbraw/zinc/92/39/47/351923947.db2.gz AABYTSXVUHDCSG-CIUDSAMLSA-N 2 0 172.272 0.443 10 0 ACAERP C[C@@]1(C[NH+]2CCC(O)CC2)CC[NH2+]C1 306395990 351925380 /nfs/dbraw/zinc/92/53/80/351925380.db2.gz HPLAOSFFIWDIEW-LLVKDONJSA-N 2 0 198.310 0.443 10 0 ACAERP C[C@@]1(C[N@@H+]2CCC[C@@H](O)C2)CC[NH2+]C1 306399267 351925452 /nfs/dbraw/zinc/92/54/52/351925452.db2.gz KEEPSIYYSMYXLB-GHMZBOCLSA-N 2 0 198.310 0.443 10 0 ACAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCCC1 306424701 351928096 /nfs/dbraw/zinc/92/80/96/351928096.db2.gz BYILUDGYRZWCJS-WCBMZHEXSA-N 2 0 184.283 0.099 10 0 ACAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCCC1 306424702 351928131 /nfs/dbraw/zinc/92/81/31/351928131.db2.gz BYILUDGYRZWCJS-WPRPVWTQSA-N 2 0 184.283 0.099 10 0 ACAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCCC1 306424700 351928204 /nfs/dbraw/zinc/92/82/04/351928204.db2.gz BYILUDGYRZWCJS-SCZZXKLOSA-N 2 0 184.283 0.099 10 0 ACAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCCC1 306424699 351928230 /nfs/dbraw/zinc/92/82/30/351928230.db2.gz BYILUDGYRZWCJS-PSASIEDQSA-N 2 0 184.283 0.099 10 0 ACAERP FC(F)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306436808 351929547 /nfs/dbraw/zinc/92/95/47/351929547.db2.gz DSJRJGRIGXBCTD-SFYZADRCSA-N 2 0 190.237 0.935 10 0 ACAERP FC(F)CN1CC[C@H]2[NH2+]CC[C@H]2C1 306436806 351929485 /nfs/dbraw/zinc/92/94/85/351929485.db2.gz DSJRJGRIGXBCTD-JGVFFNPUSA-N 2 0 190.237 0.935 10 0 ACAERP FC(F)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 306436804 351929502 /nfs/dbraw/zinc/92/95/02/351929502.db2.gz DSJRJGRIGXBCTD-HTQZYQBOSA-N 2 0 190.237 0.935 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH+]2CC[C@H](O)C2)C1 306436597 351929576 /nfs/dbraw/zinc/92/95/76/351929576.db2.gz GPCRSKBTLKRIGY-UWVGGRQHSA-N 2 0 184.283 0.005 10 0 ACAERP C[N@@H+]1CC[C@H](C[NH+]2CC[C@@H](O)C2)C1 306436598 351929596 /nfs/dbraw/zinc/92/95/96/351929596.db2.gz GPCRSKBTLKRIGY-VHSXEESVSA-N 2 0 184.283 0.005 10 0 ACAERP FC(F)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 306436811 351929702 /nfs/dbraw/zinc/92/97/02/351929702.db2.gz DSJRJGRIGXBCTD-YUMQZZPRSA-N 2 0 190.237 0.935 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH+]2CC[C@@H](O)C2)C1 306436595 351929738 /nfs/dbraw/zinc/92/97/38/351929738.db2.gz GPCRSKBTLKRIGY-NXEZZACHSA-N 2 0 184.283 0.005 10 0 ACAERP C[N@@H+]1CC[C@@H](C[NH+]2CC[C@H](O)C2)C1 306436601 351929785 /nfs/dbraw/zinc/92/97/85/351929785.db2.gz GPCRSKBTLKRIGY-ZJUUUORDSA-N 2 0 184.283 0.005 10 0 ACAERP C[C@H]1[C@H]([NH3+])CCN1CC(C)(C)O 306541017 351943406 /nfs/dbraw/zinc/94/34/06/351943406.db2.gz WXPAQLAAEARFEX-JGVFFNPUSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@H]1[C@@H]([NH3+])CCN1CC(C)(C)O 306541019 351943502 /nfs/dbraw/zinc/94/35/02/351943502.db2.gz WXPAQLAAEARFEX-YUMQZZPRSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@@H]1[C@@H]([NH3+])CCN1CC(C)(C)O 306541018 351943601 /nfs/dbraw/zinc/94/36/01/351943601.db2.gz WXPAQLAAEARFEX-SFYZADRCSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@@H]1[C@H]([NH3+])CCN1CC(C)(C)O 306541016 351943686 /nfs/dbraw/zinc/94/36/86/351943686.db2.gz WXPAQLAAEARFEX-HTQZYQBOSA-N 2 0 172.272 0.179 10 0 ACAERP CC(C)([NH3+])CN1CC[C@H]2[NH2+]CC[C@H]2C1 306676981 351955062 /nfs/dbraw/zinc/95/50/62/351955062.db2.gz XTALIXFLSWVSDF-VHSXEESVSA-N 2 0 197.326 0.408 10 0 ACAERP CC(C)([NH3+])CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306676982 351955099 /nfs/dbraw/zinc/95/50/99/351955099.db2.gz XTALIXFLSWVSDF-ZJUUUORDSA-N 2 0 197.326 0.408 10 0 ACAERP CC(C)([NH3+])CN1CC[C@@H]2[NH2+]CC[C@H]2C1 306676980 351955118 /nfs/dbraw/zinc/95/51/18/351955118.db2.gz XTALIXFLSWVSDF-UWVGGRQHSA-N 2 0 197.326 0.408 10 0 ACAERP CC(C)([NH3+])CN1CC[C@H]2[NH2+]CC[C@@H]2C1 306676979 351955189 /nfs/dbraw/zinc/95/51/89/351955189.db2.gz XTALIXFLSWVSDF-NXEZZACHSA-N 2 0 197.326 0.408 10 0 ACAERP CC(C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 306728960 351959257 /nfs/dbraw/zinc/95/92/57/351959257.db2.gz CKMDAXKEDHBHNJ-ZJUUUORDSA-N 2 0 168.284 0.936 10 0 ACAERP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)[NH3+] 306755950 351962664 /nfs/dbraw/zinc/96/26/64/351962664.db2.gz PPKVAHDIQDIUOA-HTQZYQBOSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@@H]1C[C@H](O)C[N@@H+]1CC(C)(C)[NH3+] 306755952 351962755 /nfs/dbraw/zinc/96/27/55/351962755.db2.gz PPKVAHDIQDIUOA-SFYZADRCSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)[NH3+] 306755951 351962794 /nfs/dbraw/zinc/96/27/94/351962794.db2.gz PPKVAHDIQDIUOA-JGVFFNPUSA-N 2 0 172.272 0.179 10 0 ACAERP C[C@H]1C[C@H](O)C[N@@H+]1CC(C)(C)[NH3+] 306755953 351963070 /nfs/dbraw/zinc/96/30/70/351963070.db2.gz PPKVAHDIQDIUOA-YUMQZZPRSA-N 2 0 172.272 0.179 10 0 ACAERP C1CC([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306806644 351966554 /nfs/dbraw/zinc/96/65/54/351966554.db2.gz KKHVVEIYDQCQGK-SCZZXKLOSA-N 2 0 166.268 0.833 10 0 ACAERP CC(C)([NH3+])CN1C[C@@H]2CCC[C@H](C1)[NH2+]2 306940770 351976667 /nfs/dbraw/zinc/97/66/67/351976667.db2.gz HKHWDCPKGCHIRR-AOOOYVTPSA-N 2 0 197.326 0.550 10 0 ACAERP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@@H+]1C1CSC1 307213219 351995049 /nfs/dbraw/zinc/99/50/49/351995049.db2.gz QBQXILGDECAXNQ-KHQFGBGNSA-N 2 0 198.335 0.642 10 0 ACAERP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CSC1 307213221 351995146 /nfs/dbraw/zinc/99/51/46/351995146.db2.gz QBQXILGDECAXNQ-NQMVMOMDSA-N 2 0 198.335 0.642 10 0 ACAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C1CSC1 307213220 351995434 /nfs/dbraw/zinc/99/54/34/351995434.db2.gz QBQXILGDECAXNQ-MRTMQBJTSA-N 2 0 198.335 0.642 10 0 ACAERP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1C1CSC1 307213222 351995665 /nfs/dbraw/zinc/99/56/65/351995665.db2.gz QBQXILGDECAXNQ-WEDXCCLWSA-N 2 0 198.335 0.642 10 0 ACAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCCCC1 307219052 351996715 /nfs/dbraw/zinc/99/67/15/351996715.db2.gz NRNFYHFOMLXPJJ-GXSJLCMTSA-N 2 0 198.310 0.489 10 0 ACAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCCCC1 307219055 351996738 /nfs/dbraw/zinc/99/67/38/351996738.db2.gz NRNFYHFOMLXPJJ-ONGXEEELSA-N 2 0 198.310 0.489 10 0 ACAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCCCC1 307219053 351996759 /nfs/dbraw/zinc/99/67/59/351996759.db2.gz NRNFYHFOMLXPJJ-KOLCDFICSA-N 2 0 198.310 0.489 10 0 ACAERP C[C@@H]1C[C@@H]([NH2+]C2CC[NH2+]CC2)[C@@H](C)O1 307244366 351997593 /nfs/dbraw/zinc/99/75/93/351997593.db2.gz LCHIGGOZBQGTSO-FXPVBKGRSA-N 2 0 198.310 0.894 10 0 ACAERP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C1CC[NH2+]CC1 307244369 351997604 /nfs/dbraw/zinc/99/76/04/351997604.db2.gz LCHIGGOZBQGTSO-YWVKMMECSA-N 2 0 198.310 0.894 10 0 ACAERP C[C@@H]1O[C@H](C)C[C@H]1[NH2+]C1CC[NH2+]CC1 307244368 351997629 /nfs/dbraw/zinc/99/76/29/351997629.db2.gz LCHIGGOZBQGTSO-WCABBAIRSA-N 2 0 198.310 0.894 10 0 ACAERP C[C@@H]1C[C@H]([NH2+]C2CC[NH2+]CC2)[C@@H](C)O1 307244367 351997904 /nfs/dbraw/zinc/99/79/04/351997904.db2.gz LCHIGGOZBQGTSO-KKZNHRDASA-N 2 0 198.310 0.894 10 0 ACAERP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]CC(C)(C)[NH3+] 307252976 351998375 /nfs/dbraw/zinc/99/83/75/351998375.db2.gz UFDPQKSJIYGXQD-VGMNWLOBSA-N 2 0 186.299 0.879 10 0 ACAERP C[C@@H]1O[C@H](C)C[C@H]1[NH2+]CC(C)(C)[NH3+] 307252974 351998395 /nfs/dbraw/zinc/99/83/95/351998395.db2.gz UFDPQKSJIYGXQD-HRDYMLBCSA-N 2 0 186.299 0.879 10 0 ACAERP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH3+])[C@@H](C)O1 307252973 351998432 /nfs/dbraw/zinc/99/84/32/351998432.db2.gz UFDPQKSJIYGXQD-HLTSFMKQSA-N 2 0 186.299 0.879 10 0 ACAERP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH3+])[C@@H](C)O1 307252975 351998474 /nfs/dbraw/zinc/99/84/74/351998474.db2.gz UFDPQKSJIYGXQD-IWSPIJDZSA-N 2 0 186.299 0.879 10 0 ACAERP C[C@@]1(CN2CCC[C@H]([NH3+])C2)CC[NH2+]C1 307325913 352003552 /nfs/dbraw/zinc/00/35/52/352003552.db2.gz SYVSLIPIHAEMJO-WDEREUQCSA-N 2 0 197.326 0.409 10 0 ACAERP C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[NH2+]1 307360297 352007205 /nfs/dbraw/zinc/00/72/05/352007205.db2.gz GGTWOWXMNJBHDK-MNOVXSKESA-N 2 0 197.326 0.280 10 0 ACAERP CC1(C)C[N@H+](CCC[NH3+])CCCO1 307419967 352012540 /nfs/dbraw/zinc/01/25/40/352012540.db2.gz YLCSAYLWJRRTGB-UHFFFAOYSA-N 2 0 186.299 0.836 10 0 ACAERP C[C@@H]1CN(CC(C)(C)[NH3+])C[C@@H]1[NH3+] 307531778 352020714 /nfs/dbraw/zinc/02/07/14/352020714.db2.gz XWCFXRBBCMYBCQ-SFYZADRCSA-N 2 0 171.288 0.003 10 0 ACAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1CC1 307596484 352024318 /nfs/dbraw/zinc/02/43/18/352024318.db2.gz MMMVJGOCDMNWFN-VXNVDRBHSA-N 2 0 154.257 0.818 10 0 ACAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CC1CC1 307596481 352024360 /nfs/dbraw/zinc/02/43/60/352024360.db2.gz MMMVJGOCDMNWFN-APPZFPTMSA-N 2 0 154.257 0.818 10 0 ACAERP C1C[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C[NH2+]1 307641375 352028053 /nfs/dbraw/zinc/02/80/53/352028053.db2.gz IOGNVVBRUNVANA-JXUBOQSCSA-N 2 0 166.268 0.736 10 0 ACAERP C1C[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C[NH2+]1 307641376 352028323 /nfs/dbraw/zinc/02/83/23/352028323.db2.gz IOGNVVBRUNVANA-UTINFBMNSA-N 2 0 166.268 0.736 10 0 ACAERP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1CC[NH2+]CC1 307754192 352038576 /nfs/dbraw/zinc/03/85/76/352038576.db2.gz YJZCLMCCXAOFJJ-MWLCHTKSSA-N 2 0 197.326 0.408 10 0 ACAERP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CC1CC[NH2+]CC1 307754132 352038825 /nfs/dbraw/zinc/03/88/25/352038825.db2.gz YJZCLMCCXAOFJJ-KOLCDFICSA-N 2 0 197.326 0.408 10 0 ACAERP C[C@@H]1CCNC[C@H]1[NH2+]CC1(O)CCC1 335049100 352088334 /nfs/dbraw/zinc/08/83/34/352088334.db2.gz ICDSERAKMGYWSL-NXEZZACHSA-N 2 0 198.310 0.489 10 0 ACAERP C[C@@H]1CCNC[C@@H]1[NH2+]CC1(O)CCC1 335049103 352088501 /nfs/dbraw/zinc/08/85/01/352088501.db2.gz ICDSERAKMGYWSL-ZJUUUORDSA-N 2 0 198.310 0.489 10 0 ACAERP C[C@@H]1CN(CC(C)(C)[NH3+])C[C@@]1(C)C[NH3+] 335348349 352094918 /nfs/dbraw/zinc/09/49/18/352094918.db2.gz GYMUQMAUOQCNNK-MWLCHTKSSA-N 2 0 199.342 0.640 10 0 ACAERP C[C@@H]1CN(CC2(C[NH3+])CC2)C[C@@H](C)[NH2+]1 335413573 352097635 /nfs/dbraw/zinc/09/76/35/352097635.db2.gz JFTLLOCRTBMDTR-NXEZZACHSA-N 2 0 197.326 0.408 10 0 ACAERP C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@@H]1[NH3+] 335449142 352098652 /nfs/dbraw/zinc/09/86/52/352098652.db2.gz VWPDSZCEDAEQAI-ZJUUUORDSA-N 2 0 197.326 0.394 10 0 ACAERP CC(C)([NH3+])CN1CCC2(CC[NH2+]2)CC1 335449175 352099077 /nfs/dbraw/zinc/09/90/77/352099077.db2.gz XGVDNNPAVAMNNH-UHFFFAOYSA-N 2 0 197.326 0.552 10 0 ACAERP C[C@@H]1CN(CC2(C[NH3+])CC2)CC[NH2+]1 335449189 352099119 /nfs/dbraw/zinc/09/91/19/352099119.db2.gz XQHOKYMLQYKRKL-SECBINFHSA-N 2 0 183.299 0.019 10 0 ACAERP C[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1[NH3+] 335449139 352099147 /nfs/dbraw/zinc/09/91/47/352099147.db2.gz VWPDSZCEDAEQAI-NXEZZACHSA-N 2 0 197.326 0.394 10 0 ACAERP C[C@@H]1C[C@@H](NC2C[NH2+]C2)C[N@@H+]1C1CC1 335525307 352101954 /nfs/dbraw/zinc/10/19/54/352101954.db2.gz HWVQPVPRCXEIAH-RKDXNWHRSA-N 2 0 195.310 0.173 10 0 ACAERP 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165.240 0.791 10 0 ACAERP Cc1[nH+]cc([C@H]2C[C@@H]2C[NH3+])n1C 575510720 352462232 /nfs/dbraw/zinc/46/22/32/352462232.db2.gz KSUFGGGJBVJJFU-SFYZADRCSA-N 2 0 165.240 0.791 10 0 ACAERP Cc1[nH+]cc([C@@H]2C[C@H]2C[NH3+])n1C 575510719 352462394 /nfs/dbraw/zinc/46/23/94/352462394.db2.gz KSUFGGGJBVJJFU-JGVFFNPUSA-N 2 0 165.240 0.791 10 0 ACAERP CC[NH2+][C@H]1CO[C@@]2(CC[N@H+](C)C2)C1 575511041 352463574 /nfs/dbraw/zinc/46/35/74/352463574.db2.gz JPLZFFWWBBZNSL-ZJUUUORDSA-N 2 0 184.283 0.459 10 0 ACAERP CC[NH2+][C@@H]1CO[C@@]2(CC[N@H+](C)C2)C1 575511037 352463732 /nfs/dbraw/zinc/46/37/32/352463732.db2.gz JPLZFFWWBBZNSL-UWVGGRQHSA-N 2 0 184.283 0.459 10 0 ACAERP CC[NH2+][C@@H]1CO[C@]2(CC[N@H+](C)C2)C1 575511039 352463787 /nfs/dbraw/zinc/46/37/87/352463787.db2.gz JPLZFFWWBBZNSL-VHSXEESVSA-N 2 0 184.283 0.459 10 0 ACAERP CC[NH2+][C@H]1CO[C@]2(CC[N@H+](C)C2)C1 575511034 352463926 /nfs/dbraw/zinc/46/39/26/352463926.db2.gz JPLZFFWWBBZNSL-NXEZZACHSA-N 2 0 184.283 0.459 10 0 ACAERP 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C[C@@H](CO)[N@@H+]1CCCCC[C@H]([NH3+])C1 575544720 352618856 /nfs/dbraw/zinc/61/88/56/352618856.db2.gz AVOFQTDLODJAHH-UWVGGRQHSA-N 2 0 186.299 0.571 10 0 ACAERP [NH3+][C@H]1C[C@H](C[N@@H+]2CC[C@H]3C[C@H]32)C1 575544808 352619293 /nfs/dbraw/zinc/61/92/93/352619293.db2.gz WZDWHHXWQZZFLR-AATLWQCWSA-N 2 0 166.268 0.818 10 0 ACAERP [NH3+][C@H]1C[C@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)C1 575544813 352619354 /nfs/dbraw/zinc/61/93/54/352619354.db2.gz WZDWHHXWQZZFLR-KYXWUPHJSA-N 2 0 166.268 0.818 10 0 ACAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H]3C[C@H]32)C1 575544809 352619369 /nfs/dbraw/zinc/61/93/69/352619369.db2.gz WZDWHHXWQZZFLR-AXTSPUMRSA-N 2 0 166.268 0.818 10 0 ACAERP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H]3C[C@@H]32)C1 575544812 352619447 /nfs/dbraw/zinc/61/94/47/352619447.db2.gz WZDWHHXWQZZFLR-IMSYWVGJSA-N 2 0 166.268 0.818 10 0 ACAERP [NH3+]C1(C[N@@H+]2CC[C@@H]3C[C@@H]32)CCC1 575544965 352619936 /nfs/dbraw/zinc/61/99/36/352619936.db2.gz YLSCMZGQKUFELJ-BDAKNGLRSA-N 2 0 166.268 0.962 10 0 ACAERP [NH3+]C1(C[N@@H+]2CC[C@H]3C[C@H]32)CCC1 575544966 352620222 /nfs/dbraw/zinc/62/02/22/352620222.db2.gz YLSCMZGQKUFELJ-DTWKUNHWSA-N 2 0 166.268 0.962 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575545117 352620616 /nfs/dbraw/zinc/62/06/16/352620616.db2.gz ZRAHIUVURDNMKC-DBIOUOCHSA-N 2 0 180.295 0.936 10 0 ACAERP [NH3+][C@@H]1COC[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575545144 352620636 /nfs/dbraw/zinc/62/06/36/352620636.db2.gz ZUYAPASVLNXARY-AXTSPUMRSA-N 2 0 182.267 0.054 10 0 ACAERP [NH3+][C@@H]1COC[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575545146 352620797 /nfs/dbraw/zinc/62/07/97/352620797.db2.gz ZUYAPASVLNXARY-RGOKHQFPSA-N 2 0 182.267 0.054 10 0 ACAERP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575545119 352620931 /nfs/dbraw/zinc/62/09/31/352620931.db2.gz ZRAHIUVURDNMKC-LMLFDSFASA-N 2 0 180.295 0.936 10 0 ACAERP [NH3+][C@H]1CCCCCN(CCO)C1 575545593 352621925 /nfs/dbraw/zinc/62/19/25/352621925.db2.gz ILUMHBSHXHHMBG-VIFPVBQESA-N 2 0 172.272 0.182 10 0 ACAERP [NH3+][C@@H]1CCCCCN(CCO)C1 575545592 352622091 /nfs/dbraw/zinc/62/20/91/352622091.db2.gz ILUMHBSHXHHMBG-SECBINFHSA-N 2 0 172.272 0.182 10 0 ACAERP [NH3+]C[C@@]([NH3+])(C1CCC1)C1CC1 575548622 352632042 /nfs/dbraw/zinc/63/20/42/352632042.db2.gz FVBOLISKWIMQTD-SECBINFHSA-N 2 0 154.257 0.853 10 0 ACAERP [NH3+]C[C@]([NH3+])(C1CCC1)C1CC1 575548625 352632168 /nfs/dbraw/zinc/63/21/68/352632168.db2.gz FVBOLISKWIMQTD-VIFPVBQESA-N 2 0 154.257 0.853 10 0 ACAERP C[C@@]12C[NH2+]C[C@H]1C[N@H+](CC1CC1)C2 575549102 352633242 /nfs/dbraw/zinc/63/32/42/352633242.db2.gz HJUKLYRNCMCBLO-QWRGUYRKSA-N 2 0 180.295 0.938 10 0 ACAERP O[C@H](C1C[NH2+]C1)[C@H]1CCCCC[NH2+]1 575549104 352633336 /nfs/dbraw/zinc/63/33/36/352633336.db2.gz HMBHXBUWDDNTOR-NXEZZACHSA-N 2 0 184.283 0.099 10 0 ACAERP O[C@@H](C1C[NH2+]C1)[C@H]1CCCCC[NH2+]1 575549107 352633354 /nfs/dbraw/zinc/63/33/54/352633354.db2.gz HMBHXBUWDDNTOR-ZJUUUORDSA-N 2 0 184.283 0.099 10 0 ACAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1CC1)C2 575549103 352633376 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C[C@@H]1[NH2+]CC[C@H]1Nc1[nH+]ccn1C 575549971 352636913 /nfs/dbraw/zinc/63/69/13/352636913.db2.gz ONWAAJRMNCFKSR-JGVFFNPUSA-N 2 0 180.255 0.582 10 0 ACAERP C[C@H]1[NH2+]CC[C@@H]1Nc1cc[nH+]cc1 575550091 352637287 /nfs/dbraw/zinc/63/72/87/352637287.db2.gz QSJYQANRVXKPMX-SCZZXKLOSA-N 2 0 177.251 0.666 10 0 ACAERP C[C@@H]1[NH2+]CC[C@@H]1Nc1cc[nH+]cc1 575550093 352637308 /nfs/dbraw/zinc/63/73/08/352637308.db2.gz QSJYQANRVXKPMX-WPRPVWTQSA-N 2 0 177.251 0.666 10 0 ACAERP C[C@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1 575550090 352637495 /nfs/dbraw/zinc/63/74/95/352637495.db2.gz QSJYQANRVXKPMX-PSASIEDQSA-N 2 0 177.251 0.666 10 0 ACAERP C[C@@H]1[NH2+]CC[C@H]1Nc1cc[nH+]cc1 575550092 352637511 /nfs/dbraw/zinc/63/75/11/352637511.db2.gz QSJYQANRVXKPMX-WCBMZHEXSA-N 2 0 177.251 0.666 10 0 ACAERP C[C@]12C[NH2+]C[C@H]1CN(CCF)C2 575550429 352637956 /nfs/dbraw/zinc/63/79/56/352637956.db2.gz RYBOAXWBQOBKFK-DTWKUNHWSA-N 2 0 172.247 0.497 10 0 ACAERP C[C@@]12C[NH2+]C[C@H]1CN(CCF)C2 575550430 352638019 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182.267 0.365 10 0 ACAERP [NH3+][C@@H]1CCO[C@@H]1C[NH+]1CCCCC1 575578955 352770039 /nfs/dbraw/zinc/77/00/39/352770039.db2.gz GMINMGVOQFJRRZ-NXEZZACHSA-N 2 0 184.283 0.589 10 0 ACAERP C[C@@H]1CC[N@@H+]1C[C@@H]1OCC[C@H]1[NH3+] 575579228 352771349 /nfs/dbraw/zinc/77/13/49/352771349.db2.gz IFHRZPAZKRBTAT-HLTSFMKQSA-N 2 0 170.256 0.197 10 0 ACAERP C[C@@H]1C[N@H+](C[C@@H]2OCC[C@@H]2[NH3+])[C@@H]1C 575579329 352771385 /nfs/dbraw/zinc/77/13/85/352771385.db2.gz LGNSKZYZWAPHJT-IMSYWVGJSA-N 2 0 184.283 0.443 10 0 ACAERP [NH3+][C@@H]1CCO[C@@H]1C[NH+]1CCCC1 575579328 352771471 /nfs/dbraw/zinc/77/14/71/352771471.db2.gz LCRSDMGIWHFINH-RKDXNWHRSA-N 2 0 170.256 0.198 10 0 ACAERP C[C@@H]1CC[N@@H+]1C[C@H]1OCC[C@H]1[NH3+] 575579235 352771486 /nfs/dbraw/zinc/77/14/86/352771486.db2.gz IFHRZPAZKRBTAT-IWSPIJDZSA-N 2 0 170.256 0.197 10 0 ACAERP C[C@@H]1CC[N@@H+]1C[C@@H]1OCC[C@@H]1[NH3+] 575579236 352771599 /nfs/dbraw/zinc/77/15/99/352771599.db2.gz IFHRZPAZKRBTAT-VGMNWLOBSA-N 2 0 170.256 0.197 10 0 ACAERP 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/nfs/dbraw/zinc/64/94/54/375649454.db2.gz UGNDFHWXTRFHJF-UWVGGRQHSA-N 2 0 187.331 0.639 10 0 ACAERP CC(C)C[C@H]([NH3+])CN(C)CCC[NH3+] 647496978 375649554 /nfs/dbraw/zinc/64/95/54/375649554.db2.gz AZSBNGLHQSGMBL-JTQLQIEISA-N 2 0 187.331 0.640 10 0 ACAERP C[C@@H]1C[C@@H](C[NH3+])CN1CC1(C[NH3+])CC1 647508380 375649601 /nfs/dbraw/zinc/64/96/01/375649601.db2.gz LQXVSLDLNOHMGG-ZJUUUORDSA-N 2 0 197.326 0.394 10 0 ACAERP C[C@H]([NH3+])[C@H]1CCN(CC2(C[NH3+])CC2)C1 647509970 375649714 /nfs/dbraw/zinc/64/97/14/375649714.db2.gz QKDJYJQGLCTDQX-UWVGGRQHSA-N 2 0 197.326 0.394 10 0 ACAERP [NH3+]CCCN(C1CC1)[C@H]1CC[NH2+]C1 647502357 375649733 /nfs/dbraw/zinc/64/97/33/375649733.db2.gz CEPLBBCQEQGUPD-JTQLQIEISA-N 2 0 183.299 0.162 10 0 ACAERP CC1([NH3+])CCN(CC2(C[NH3+])CC2)CC1 647530930 375651916 /nfs/dbraw/zinc/65/19/16/375651916.db2.gz POHGQIOIUKGPRU-UHFFFAOYSA-N 2 0 197.326 0.539 10 0 ACAERP C[C@@]1(C[NH3+])CCN(CC2(C[NH3+])CC2)C1 647536661 375652926 /nfs/dbraw/zinc/65/29/26/375652926.db2.gz 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0.559 10 0 ACAERP CN(CC[NH2+]C(C)(C)C)C1CC([NH3+])C1 647544695 375656514 /nfs/dbraw/zinc/65/65/14/375656514.db2.gz FFVQQQUERYHFRG-UHFFFAOYSA-N 2 0 199.342 0.796 10 0 ACAERP CN(CC1(C[NH3+])CC1)C1CC([NH3+])C1 647544686 375656533 /nfs/dbraw/zinc/65/65/33/375656533.db2.gz AZPWSHHHELZCDJ-UHFFFAOYSA-N 2 0 183.299 0.147 10 0 ACAERP CC[NH2+]CCN[C@H]1C[NH2+]C[C@@H](C)C1 647546685 375657066 /nfs/dbraw/zinc/65/70/66/375657066.db2.gz VWRPBGNHIVTAAK-VHSXEESVSA-N 2 0 185.315 0.184 10 0 ACAERP C[C@H]1C[NH2+]C[C@H](NCC(C)(C)[NH3+])C1 647546646 375657072 /nfs/dbraw/zinc/65/70/72/375657072.db2.gz TVRRHIVHVUZFSB-RKDXNWHRSA-N 2 0 185.315 0.311 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H](NC2CC[NH2+]CC2)C1 647546635 375657080 /nfs/dbraw/zinc/65/70/80/375657080.db2.gz SVGWDASAPOWYIP-GXSJLCMTSA-N 2 0 197.326 0.326 10 0 ACAERP C[C@@H]1C[NH2+]C[C@H](N[C@@H](C[NH3+])C2CC2)C1 647546730 375657124 /nfs/dbraw/zinc/65/71/24/375657124.db2.gz YBWLUEOSQJNEJS-GDPRMGEGSA-N 2 0 197.326 0.311 10 0 ACAERP 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10 0 ACAERP COC[C@@H](CC(C)C)[NH2+]CCC[NH3+] 308588054 409736227 /nfs/dbraw/zinc/73/62/27/409736227.db2.gz TVVYYFBLUGHZNK-SNVBAGLBSA-N 2 0 188.315 0.986 10 0 ACAERP COC[C@H](CC(C)C)[NH2+]CCC[NH3+] 308588053 409736836 /nfs/dbraw/zinc/73/68/36/409736836.db2.gz TVVYYFBLUGHZNK-JTQLQIEISA-N 2 0 188.315 0.986 10 0 ACAERP CC(C)([NH3+])C[N@@H+]1CC[C@@H](CCO)C1 308593455 409739798 /nfs/dbraw/zinc/73/97/98/409739798.db2.gz XAVBBENKDQRANF-VIFPVBQESA-N 2 0 186.299 0.428 10 0 ACAERP CC(C)([NH3+])C[N@@H+]1CC[C@H](CCO)C1 308593454 409740715 /nfs/dbraw/zinc/74/07/15/409740715.db2.gz XAVBBENKDQRANF-SECBINFHSA-N 2 0 186.299 0.428 10 0 ACAERP C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 308660617 409746023 /nfs/dbraw/zinc/74/60/23/409746023.db2.gz PPPZZSDAHPGCJB-FBIMIBRVSA-N 2 0 198.310 0.440 10 0 ACAERP C[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 308660616 409746439 /nfs/dbraw/zinc/74/64/39/409746439.db2.gz PPPZZSDAHPGCJB-DVVUODLYSA-N 2 0 198.310 0.440 10 0 ACAERP CN(CCC[NH3+])C[C@@]1(C)CC[NH2+]C1 308654680 409746462 /nfs/dbraw/zinc/74/64/62/409746462.db2.gz NKAKAQOFILAXPE-JTQLQIEISA-N 3 0 185.315 0.267 10 0 ACAERP C[C@H]([NH3+])CN(C1CC1)[C@H]1CC[NH2+]C1 308659383 409746796 /nfs/dbraw/zinc/74/67/96/409746796.db2.gz PIYRDGCEHSAOMK-WPRPVWTQSA-N 2 0 183.299 0.160 10 0 ACAERP C[C@@H]([NH3+])CN(C1CC1)[C@@H]1CC[NH2+]C1 308659380 409746891 /nfs/dbraw/zinc/74/68/91/409746891.db2.gz PIYRDGCEHSAOMK-PSASIEDQSA-N 2 0 183.299 0.160 10 0 ACAERP C[C@H]([NH3+])CN(C1CC1)[C@@H]1CC[NH2+]C1 308659382 409747366 /nfs/dbraw/zinc/74/73/66/409747366.db2.gz PIYRDGCEHSAOMK-WCBMZHEXSA-N 2 0 183.299 0.160 10 0 ACAERP CN(CCC[NH3+])C[C@]1(C)CC[NH2+]C1 308654681 409747851 /nfs/dbraw/zinc/74/78/51/409747851.db2.gz NKAKAQOFILAXPE-SNVBAGLBSA-N 3 0 185.315 0.267 10 0 ACAERP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC[NH2+]C1 308654278 409748063 /nfs/dbraw/zinc/74/80/63/409748063.db2.gz MMNXLRYELKMSGE-QWRGUYRKSA-N 2 0 199.342 0.667 10 0 ACAERP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH2+]C1 308654279 409748074 /nfs/dbraw/zinc/74/80/74/409748074.db2.gz MMNXLRYELKMSGE-WDEREUQCSA-N 2 0 199.342 0.667 10 0 ACAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+]C1 308654276 409748133 /nfs/dbraw/zinc/74/81/33/409748133.db2.gz MMNXLRYELKMSGE-GHMZBOCLSA-N 2 0 199.342 0.667 10 0 ACAERP C[C@@H]([NH3+])CN(C1CC1)[C@H]1CC[NH2+]C1 308659381 409748489 /nfs/dbraw/zinc/74/84/89/409748489.db2.gz PIYRDGCEHSAOMK-SCZZXKLOSA-N 2 0 183.299 0.160 10 0 ACAERP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH2+]C1 308654277 409748536 /nfs/dbraw/zinc/74/85/36/409748536.db2.gz MMNXLRYELKMSGE-MNOVXSKESA-N 2 0 199.342 0.667 10 0 ACAERP [NH3+]CCCCC(=O)NCC1([NH3+])CCC1 308824602 409753705 /nfs/dbraw/zinc/75/37/05/409753705.db2.gz HNXKULKVZMQOQP-UHFFFAOYSA-N 2 0 199.298 0.113 10 0 ACAERP C[C@@H](CCC[NH3+])NC(=O)CC1([NH3+])CC1 662782612 409754425 /nfs/dbraw/zinc/75/44/25/409754425.db2.gz GCNORQPWIYSNKQ-QMMMGPOBSA-N 2 0 199.298 0.111 10 0 ACAERP C[C@H](CCC[NH3+])NC(=O)CC1([NH3+])CC1 662782611 409754717 /nfs/dbraw/zinc/75/47/17/409754717.db2.gz GCNORQPWIYSNKQ-MRVPVSSYSA-N 2 0 199.298 0.111 10 0 ACAERP C[NH2+]CCCN1CCC([NH2+]C)CC1 308734093 409754812 /nfs/dbraw/zinc/75/48/12/409754812.db2.gz KPRDFSMEPZVLSC-UHFFFAOYSA-N 2 0 185.315 0.280 10 0 ACAERP C[C@H]([NH3+])C[C@H](C)NC(=O)CC1([NH3+])CC1 662818822 409757299 /nfs/dbraw/zinc/75/72/99/409757299.db2.gz BAGPELADLBTUMF-YUMQZZPRSA-N 2 0 199.298 0.110 10 0 ACAERP C[NH2+]CCCN(C1CC1)[C@H]1CC[NH2+]C1 308884352 409757626 /nfs/dbraw/zinc/75/76/26/409757626.db2.gz RWYYCXDCBQDQEO-NSHDSACASA-N 2 0 197.326 0.422 10 0 ACAERP C[NH2+]CCCN(C1CC1)[C@@H]1CC[NH2+]C1 308884349 409757659 /nfs/dbraw/zinc/75/76/59/409757659.db2.gz RWYYCXDCBQDQEO-LLVKDONJSA-N 2 0 197.326 0.422 10 0 ACAERP CN(CC(C)(C)[NH3+])C(=O)CC1([NH3+])CC1 662843505 409758145 /nfs/dbraw/zinc/75/81/45/409758145.db2.gz LOXNVMHPISKHSC-UHFFFAOYSA-N 2 0 199.298 0.064 10 0 ACAERP CC(C)(CC[NH3+])NC(=O)CC1([NH3+])CC1 662816445 409758218 /nfs/dbraw/zinc/75/82/18/409758218.db2.gz BGIONIUAWQSZLG-UHFFFAOYSA-N 2 0 199.298 0.111 10 0 ACAERP C[C@H]([NH3+])C[C@@H](C)NC(=O)CC1([NH3+])CC1 662818820 409758272 /nfs/dbraw/zinc/75/82/72/409758272.db2.gz BAGPELADLBTUMF-JGVFFNPUSA-N 2 0 199.298 0.110 10 0 ACAERP C[C@@H](C[C@@H](C)[NH3+])NC(=O)CC1([NH3+])CC1 662818821 409758397 /nfs/dbraw/zinc/75/83/97/409758397.db2.gz BAGPELADLBTUMF-SFYZADRCSA-N 2 0 199.298 0.110 10 0 ACAERP C(CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C1 308928408 409758434 /nfs/dbraw/zinc/75/84/34/409758434.db2.gz IXEXGYWGADLZHO-NSHDSACASA-N 2 0 197.326 0.328 10 0 ACAERP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC1([NH3+])CC1 662818819 409758534 /nfs/dbraw/zinc/75/85/34/409758534.db2.gz BAGPELADLBTUMF-HTQZYQBOSA-N 2 0 199.298 0.110 10 0 ACAERP C(CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C1 308928406 409759576 /nfs/dbraw/zinc/75/95/76/409759576.db2.gz IXEXGYWGADLZHO-LLVKDONJSA-N 2 0 197.326 0.328 10 0 ACAERP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC(N)=O 309007231 409762165 /nfs/dbraw/zinc/76/21/65/409762165.db2.gz QHKUZIWRNVLGLC-DTWKUNHWSA-N 2 0 199.298 0.064 10 0 ACAERP CC(C)C[C@H]([NH3+])c1noc(CC[NH3+])n1 308986244 409762336 /nfs/dbraw/zinc/76/23/36/409762336.db2.gz JUZSRBMDNNPTFC-ZETCQYMHSA-N 2 0 198.270 0.617 10 0 ACAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH3+])[C@@H]1C 308980882 409762432 /nfs/dbraw/zinc/76/24/32/409762432.db2.gz IBKVOIXDYWSYGU-CIUDSAMLSA-N 2 0 199.298 0.062 10 0 ACAERP CC(C)C[C@@H]([NH3+])c1noc(CC[NH3+])n1 308986243 409762804 /nfs/dbraw/zinc/76/28/04/409762804.db2.gz JUZSRBMDNNPTFC-SSDOTTSWSA-N 2 0 198.270 0.617 10 0 ACAERP C[C@]1(C[N@H+](CCO)C2CC2)CC[NH2+]C1 308950296 409763412 /nfs/dbraw/zinc/76/34/12/409763412.db2.gz USSBAONDMBSZRZ-NSHDSACASA-N 2 0 198.310 0.443 10 0 ACAERP CCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCC1 309002227 409764035 /nfs/dbraw/zinc/76/40/35/409764035.db2.gz OMEOBAXYVCIJTE-MRVPVSSYSA-N 2 0 199.298 0.111 10 0 ACAERP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC(N)=O 309007230 409764227 /nfs/dbraw/zinc/76/42/27/409764227.db2.gz QHKUZIWRNVLGLC-BDAKNGLRSA-N 2 0 199.298 0.064 10 0 ACAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C 308980884 409764717 /nfs/dbraw/zinc/76/47/17/409764717.db2.gz IBKVOIXDYWSYGU-XHNCKOQMSA-N 2 0 199.298 0.062 10 0 ACAERP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CC(N)=O 309007232 409764547 /nfs/dbraw/zinc/76/45/47/409764547.db2.gz QHKUZIWRNVLGLC-IUCAKERBSA-N 2 0 199.298 0.064 10 0 ACAERP C[C@@]1(C[N@H+](CCO)C2CC2)CC[NH2+]C1 308950295 409764666 /nfs/dbraw/zinc/76/46/66/409764666.db2.gz USSBAONDMBSZRZ-LLVKDONJSA-N 2 0 198.310 0.443 10 0 ACAERP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH3+])[C@H]1C 308980885 409764886 /nfs/dbraw/zinc/76/48/86/409764886.db2.gz IBKVOIXDYWSYGU-YIZRAAEISA-N 2 0 199.298 0.062 10 0 ACAERP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH3+])[C@H]1C 308980883 409764977 /nfs/dbraw/zinc/76/49/77/409764977.db2.gz IBKVOIXDYWSYGU-DJLDLDEBSA-N 2 0 199.298 0.062 10 0 ACAERP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CC(N)=O 309007233 409764992 /nfs/dbraw/zinc/76/49/92/409764992.db2.gz QHKUZIWRNVLGLC-RKDXNWHRSA-N 2 0 199.298 0.064 10 0 ACAERP CC[NH+](CC)CCCN(C)C1C[NH2+]C1 309081952 409765906 /nfs/dbraw/zinc/76/59/06/409765906.db2.gz QZAYHZWEJKYTFN-UHFFFAOYSA-N 2 0 199.342 0.622 10 0 ACAERP C[NH2+]CCCN(C)[C@@H]1CCC[NH2+]CC1 309073645 409766025 /nfs/dbraw/zinc/76/60/25/409766025.db2.gz HSWUZWBRXLHDJD-LLVKDONJSA-N 2 0 199.342 0.670 10 0 ACAERP C[C@@H]([NH3+])CCNC(=O)CC1([NH3+])CCC1 309019514 409768027 /nfs/dbraw/zinc/76/80/27/409768027.db2.gz WEUIZDPHVNFPSA-MRVPVSSYSA-N 2 0 199.298 0.111 10 0 ACAERP C[NH2+]CCCN(C)[C@H]1CCC[NH2+]CC1 309073646 409768634 /nfs/dbraw/zinc/76/86/34/409768634.db2.gz HSWUZWBRXLHDJD-NSHDSACASA-N 2 0 199.342 0.670 10 0 ACAERP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] 309155411 409770622 /nfs/dbraw/zinc/77/06/22/409770622.db2.gz XHMKJACCUWCPHI-BDAKNGLRSA-N 2 0 199.298 0.064 10 0 ACAERP CCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@H]1C 309108874 409770033 /nfs/dbraw/zinc/77/00/33/409770033.db2.gz IYHRDIBOOCSJFA-VGMNWLOBSA-N 2 0 199.298 0.062 10 0 ACAERP CCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C 309108850 409770185 /nfs/dbraw/zinc/77/01/85/409770185.db2.gz IYHRDIBOOCSJFA-CIUDSAMLSA-N 2 0 199.298 0.062 10 0 ACAERP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H]1C 309108883 409770230 /nfs/dbraw/zinc/77/02/30/409770230.db2.gz IYHRDIBOOCSJFA-YIZRAAEISA-N 2 0 199.298 0.062 10 0 ACAERP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH3+] 309155415 409770243 /nfs/dbraw/zinc/77/02/43/409770243.db2.gz XHMKJACCUWCPHI-DTWKUNHWSA-N 2 0 199.298 0.064 10 0 ACAERP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H]1C 309108861 409770709 /nfs/dbraw/zinc/77/07/09/409770709.db2.gz IYHRDIBOOCSJFA-HLTSFMKQSA-N 2 0 199.298 0.062 10 0 ACAERP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH3+] 309155418 409770839 /nfs/dbraw/zinc/77/08/39/409770839.db2.gz XHMKJACCUWCPHI-RKDXNWHRSA-N 2 0 199.298 0.064 10 0 ACAERP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])[C@@H]1C 309108878 409771132 /nfs/dbraw/zinc/77/11/32/409771132.db2.gz IYHRDIBOOCSJFA-XHNCKOQMSA-N 2 0 199.298 0.062 10 0 ACAERP CCC[C@@H]([NH3+])C(=O)N1CCC([NH3+])CC1 309119483 409771801 /nfs/dbraw/zinc/77/18/01/409771801.db2.gz MZOQNRHVNOJODD-SECBINFHSA-N 2 0 199.298 0.064 10 0 ACAERP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH3+] 309155417 409771843 /nfs/dbraw/zinc/77/18/43/409771843.db2.gz XHMKJACCUWCPHI-IUCAKERBSA-N 2 0 199.298 0.064 10 0 ACAERP C[NH2+]C[C@@H](C)Nc1cc[nH+]c(C)c1 663280126 409774141 /nfs/dbraw/zinc/77/41/41/409774141.db2.gz YBOZAWVZDXGDLH-SECBINFHSA-N 2 0 179.267 0.832 10 0 ACAERP C[NH2+]C[C@H](C)Nc1cc[nH+]cc1C 663278206 409774720 /nfs/dbraw/zinc/77/47/20/409774720.db2.gz DLAULEMAOHEAAM-VIFPVBQESA-N 2 0 179.267 0.832 10 0 ACAERP C[NH2+]C[C@H](C)Nc1cc[nH+]c(C)c1 663280127 409775057 /nfs/dbraw/zinc/77/50/57/409775057.db2.gz YBOZAWVZDXGDLH-VIFPVBQESA-N 2 0 179.267 0.832 10 0 ACAERP C[NH2+]C[C@@H](C)Nc1cc[nH+]cc1C 663278203 409775348 /nfs/dbraw/zinc/77/53/48/409775348.db2.gz DLAULEMAOHEAAM-SECBINFHSA-N 2 0 179.267 0.832 10 0 ACAERP CC(C)[C@H]([NH3+])CCNC1CC[NH2+]CC1 663502396 409784246 /nfs/dbraw/zinc/78/42/46/409784246.db2.gz HVSKSHPWUSTHCJ-LLVKDONJSA-N 2 0 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CC(C)OCCN1CC[C@H]([NH3+])[C@@H]1C 379347243 409828688 /nfs/dbraw/zinc/82/86/88/409828688.db2.gz ZFKNGTJLIRZNBZ-UWVGGRQHSA-N 2 0 186.299 0.833 10 0 ACAERP COC[C@@H](C)C[N@H+](C)C1CC([NH3+])C1 379374391 409837394 /nfs/dbraw/zinc/83/73/94/409837394.db2.gz MWGFHDXDFAWEJO-IDKOKCKLSA-N 2 0 186.299 0.690 10 0 ACAERP COC[C@H](C)C[N@H+](C)C1CC([NH3+])C1 379374392 409838790 /nfs/dbraw/zinc/83/87/90/409838790.db2.gz MWGFHDXDFAWEJO-XNWIYYODSA-N 2 0 186.299 0.690 10 0 ACAERP OC[C@@H]([NH2+]C1CC[NH2+]CC1)C1CCC1 665235516 409851845 /nfs/dbraw/zinc/85/18/45/409851845.db2.gz WYCFSRZHRLNISX-LLVKDONJSA-N 2 0 198.310 0.489 10 0 ACAERP C[C@H]([NH2+]C[C@@H]1CCCO1)C1C[NH2+]C1 665236827 409851945 /nfs/dbraw/zinc/85/19/45/409851945.db2.gz VFOCUODJMRWNTB-WPRPVWTQSA-N 2 0 184.283 0.363 10 0 ACAERP C[C@@H]([NH2+][C@H](CO)C1CCC1)C1C[NH2+]C1 665234617 409852198 /nfs/dbraw/zinc/85/21/98/409852198.db2.gz HEPNOZOUNRUBIX-LDYMZIIASA-N 2 0 198.310 0.345 10 0 ACAERP C[C@@H]([NH2+][C@@H](CO)C1CCC1)C1C[NH2+]C1 665234615 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/nfs/dbraw/zinc/85/41/07/409854107.db2.gz ARIQXYKOSCBSDW-GUBZILKMSA-N 2 0 186.299 0.881 10 0 ACAERP C[C@H]([NH2+][C@@H](CO)C1CCC1)C1C[NH2+]C1 665234616 409854257 /nfs/dbraw/zinc/85/42/57/409854257.db2.gz HEPNOZOUNRUBIX-KWQFWETISA-N 2 0 198.310 0.345 10 0 ACAERP OC[C@H]([NH2+]C1CC[NH2+]CC1)C1CCC1 665235517 409854433 /nfs/dbraw/zinc/85/44/33/409854433.db2.gz WYCFSRZHRLNISX-NSHDSACASA-N 2 0 198.310 0.489 10 0 ACAERP C[C@H]([NH2+]C/C=C\CO)[C@@H]1CCC[NH2+]C1 665238786 409855523 /nfs/dbraw/zinc/85/55/23/409855523.db2.gz DHSVAFHHHSKJJG-MMJBKMRYSA-N 2 0 198.310 0.513 10 0 ACAERP [NH3+]C1CCC([NH2+]C/C=C/CO)CC1 665239200 409855536 /nfs/dbraw/zinc/85/55/36/409855536.db2.gz NXOVZIGEVMMXJS-OWOJBTEDSA-N 2 0 184.283 0.394 10 0 ACAERP OC/C=C/C[NH2+][C@H]1CCC[NH2+]CC1 665238796 409855724 /nfs/dbraw/zinc/85/57/24/409855724.db2.gz DOPQUCDOZWYWBA-YOLVWIGZSA-N 2 0 184.283 0.267 10 0 ACAERP OC/C=C\C[NH2+][C@@H]1CCC[NH2+]CC1 665238793 409855890 /nfs/dbraw/zinc/85/58/90/409855890.db2.gz DOPQUCDOZWYWBA-JWXWKVPASA-N 2 0 184.283 0.267 10 0 ACAERP OC/C=C\C[NH2+][C@H]1CCC[NH2+]CC1 665238794 409855917 /nfs/dbraw/zinc/85/59/17/409855917.db2.gz DOPQUCDOZWYWBA-SYBPUXJVSA-N 2 0 184.283 0.267 10 0 ACAERP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1C[C@H]1C 665241289 409856185 /nfs/dbraw/zinc/85/61/85/409856185.db2.gz HDZLDJADTBJKMI-XFWSIPNHSA-N 2 0 168.284 0.982 10 0 ACAERP OC/C=C/C[NH2+][C@@H]1CCC[NH2+]CC1 665238795 409856652 /nfs/dbraw/zinc/85/66/52/409856652.db2.gz DOPQUCDOZWYWBA-TXXBHVLJSA-N 2 0 184.283 0.267 10 0 ACAERP C[C@H]([NH2+]C/C=C/CO)[C@@H]1CCC[NH2+]C1 665238789 409856896 /nfs/dbraw/zinc/85/68/96/409856896.db2.gz DHSVAFHHHSKJJG-ZROCKMJXSA-N 2 0 198.310 0.513 10 0 ACAERP C[C@H]([NH2+]C[C@H]1CCCO1)C1C[NH2+]C1 665238285 409857242 /nfs/dbraw/zinc/85/72/42/409857242.db2.gz VFOCUODJMRWNTB-WCBMZHEXSA-N 2 0 184.283 0.363 10 0 ACAERP C[C@@H]([NH2+]C[C@H]1CCCO1)C1C[NH2+]C1 665238284 409857696 /nfs/dbraw/zinc/85/76/96/409857696.db2.gz VFOCUODJMRWNTB-PSASIEDQSA-N 2 0 184.283 0.363 10 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184.287 0.200 10 0 ACAERP C[N@@H+]1CC[C@H](CNCC(C)(C)[NH3+])C1 258878827 573679295 /nfs/dbraw/zinc/67/92/95/573679295.db2.gz QANIKBGTPDZIJQ-SECBINFHSA-N 2 0 185.315 0.265 10 0 ACAERP CN(CC1([NH3+])CC1)[C@@H]1CCC[N@H+](C)C1 83837355 573679312 /nfs/dbraw/zinc/67/93/12/573679312.db2.gz WEYPNJKRQZCCDM-SNVBAGLBSA-N 2 0 197.326 0.504 10 0 ACAERP FC1([C@@H]2CC[NH2+]C2)C[C@H]2C[NH2+]C[C@@H]2C1 257846017 573679418 /nfs/dbraw/zinc/67/94/18/573679418.db2.gz CXEFWFRWSQRGKY-LPEHRKFASA-N 2 0 198.285 0.934 10 0 ACAERP CC[N@@H+]1CCN(CC2([NH3+])CC2)C[C@@H]1C 83837474 573679463 /nfs/dbraw/zinc/67/94/63/573679463.db2.gz ZBFPDSTYLJEPNX-JTQLQIEISA-N 2 0 197.326 0.504 10 0 ACAERP C[NH+](C)[C@@H]1CCN(CC2([NH3+])CC2)C1 83837426 573679699 /nfs/dbraw/zinc/67/96/99/573679699.db2.gz MEXKFCTXHMKKIG-SECBINFHSA-N 2 0 183.299 0.114 10 0 ACAERP C[C@@H]1CN(CC2([NH3+])CC2)CC[N@@H+]1C 83837471 573679787 /nfs/dbraw/zinc/67/97/87/573679787.db2.gz RNLRERGLFYTXDT-SECBINFHSA-N 2 0 183.299 0.114 10 0 ACAERP 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CCC[NH+]1CCN([C@H](C)[C@H](C)[NH3+])CC1 42373581 573940922 /nfs/dbraw/zinc/94/09/22/573940922.db2.gz QNRAOVIGEDKBTC-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP C[C@@H](CCC[NH3+])[NH2+]Cc1nncn1C 308468488 573941031 /nfs/dbraw/zinc/94/10/31/573941031.db2.gz ATBWQGCQHWCBMF-QMMMGPOBSA-N 2 0 197.286 0.032 10 0 ACAERP CC[NH2+]Cc1noc2c1CN(C)CC2 87546940 573941093 /nfs/dbraw/zinc/94/10/93/573941093.db2.gz DDEWXAUAXUAVRJ-UHFFFAOYSA-N 2 0 195.266 0.772 10 0 ACAERP C[NH2+]C[C@@H](O)[C@H]1CCCCC[NH2+]1 84992137 573941096 /nfs/dbraw/zinc/94/10/96/573941096.db2.gz HWRUISCQBZUKHM-RKDXNWHRSA-N 2 0 172.272 0.099 10 0 ACAERP C[NH2+]C[C@H](O)[C@H]1CCCCC[NH2+]1 84992135 573941145 /nfs/dbraw/zinc/94/11/45/573941145.db2.gz HWRUISCQBZUKHM-BDAKNGLRSA-N 2 0 172.272 0.099 10 0 ACAERP C[C@H]([NH2+]C[C@](C)(O)C1CC1)C1C[NH2+]C1 686251337 573941210 /nfs/dbraw/zinc/94/12/10/573941210.db2.gz LPRPGLVVFSTCME-KWQFWETISA-N 2 0 198.310 0.345 10 0 ACAERP C[NH2+]Cc1noc2c1CN(C)CC2 87546759 573941246 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OC[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 42433522 573948256 /nfs/dbraw/zinc/94/82/56/573948256.db2.gz KWIIOZNYFQXYEB-NSHDSACASA-N 2 0 198.310 0.585 10 0 ACAERP [NH3+][C@H]1CCCC[N@@H+]2CCC[C@@H]12 258522865 573947634 /nfs/dbraw/zinc/94/76/34/573947634.db2.gz MMTSHRWZGIRYIM-IUCAKERBSA-N 2 0 154.257 0.962 10 0 ACAERP CC[C@@]([NH3+])(CO)[C@@H]1CC[N@H+](C)C1 215019306 573947645 /nfs/dbraw/zinc/94/76/45/573947645.db2.gz NXIHYRFPKKXVHO-RKDXNWHRSA-N 2 0 172.272 0.038 10 0 ACAERP CC(C)NC(=[NH2+])SC(N)=[NH2+] 238204705 573947648 /nfs/dbraw/zinc/94/76/48/573947648.db2.gz YUWPDJYEYHYVIE-UHFFFAOYSA-N 2 0 160.246 0.546 10 0 ACAERP CC1(C)[C@@H](C[NH3+])C[C@@H]1CC[NH3+] 238206373 573947666 /nfs/dbraw/zinc/94/76/66/573947666.db2.gz LHVJHZNJETUCLF-JGVFFNPUSA-N 2 0 156.273 0.956 10 0 ACAERP C[NH2+][C@@H](CC[NH3+])c1ccncc1 259587236 573947682 /nfs/dbraw/zinc/94/76/82/573947682.db2.gz WLXFOGRZQLOUDG-VIFPVBQESA-N 2 0 165.240 0.691 10 0 ACAERP C1COC[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 257913934 573947716 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C[NH2+]CCN[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 925695752 631050263 /nfs/dbraw/zinc/05/02/63/631050263.db2.gz WPVNVUJPDRYONN-VHSXEESVSA-N 2 0 199.342 0.701 10 0 ACAERP CC[C@@H]([NH3+])CN[C@H]1CC[NH2+]C12CCC2 925702526 631050273 /nfs/dbraw/zinc/05/02/73/631050273.db2.gz BAJPRUZNRCEMMX-ZJUUUORDSA-N 2 0 197.326 0.598 10 0 ACAERP CC(C)([NH3+])CN[C@@H]1C[C@@H]([NH3+])C12CCC2 925698067 631050294 /nfs/dbraw/zinc/05/02/94/631050294.db2.gz HUGCPGCKHOXMQD-RKDXNWHRSA-N 2 0 197.326 0.583 10 0 ACAERP C[NH2+]CCN[C@@H]1CC[NH2+]C12CCCC2 925694736 631050308 /nfs/dbraw/zinc/05/03/08/631050308.db2.gz SMKWAIBRDWPJNA-SNVBAGLBSA-N 2 0 197.326 0.470 10 0 ACAERP CC1(C)C[C@H](NCC[NH3+])C[C@H]([NH3+])C1 925696054 631050363 /nfs/dbraw/zinc/05/03/63/631050363.db2.gz ZDJCFFNQKJAQNA-DTWKUNHWSA-N 2 0 185.315 0.441 10 0 ACAERP [NH3+][C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)C12CCC2 925720238 631050406 /nfs/dbraw/zinc/05/04/06/631050406.db2.gz XCWXQPRNALMVHA-UTLUCORTSA-N 2 0 195.310 0.208 10 0 ACAERP CC[C@H]([NH3+])CN[C@H]1C[C@H]([NH3+])C12CCC2 925703736 631050577 /nfs/dbraw/zinc/05/05/77/631050577.db2.gz FJNPSEQKRDYOQT-GUBZILKMSA-N 2 0 197.326 0.583 10 0 ACAERP C[NH2+]C[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 925716499 631050603 /nfs/dbraw/zinc/05/06/03/631050603.db2.gz NPVHAOGEDZPCAB-ZJUUUORDSA-N 2 0 197.326 0.469 10 0 ACAERP C[C@H](C[NH3+])N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 925698060 631050612 /nfs/dbraw/zinc/05/06/12/631050612.db2.gz HUDHJFQLHVEHQH-BBBLOLIVSA-N 2 0 199.342 0.829 10 0 ACAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 925706669 631050643 /nfs/dbraw/zinc/05/06/43/631050643.db2.gz KGFKXAUVPXTHIQ-LPEHRKFASA-N 2 0 197.326 0.596 10 0 ACAERP C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 925707648 631050702 /nfs/dbraw/zinc/05/07/02/631050702.db2.gz MDIALOHEFGCDDV-AXTSPUMRSA-N 2 0 197.326 0.582 10 0 ACAERP C[C@H](C[NH3+])CN[C@H]1CC[NH2+]C12CCC2 925699000 631050744 /nfs/dbraw/zinc/05/07/44/631050744.db2.gz MLWJMQPCKTVZSS-ZJUUUORDSA-N 2 0 197.326 0.455 10 0 ACAERP 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[NH3+]C[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 251209720 631163065 /nfs/dbraw/zinc/16/30/65/631163065.db2.gz LELVGTQSKZJIGK-WDEREUQCSA-N 2 0 198.310 0.836 10 0 ACAERP CN1CC[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 252775580 631166079 /nfs/dbraw/zinc/16/60/79/631166079.db2.gz KEHUACDGXGUVHP-WDEREUQCSA-N 2 0 197.326 0.422 10 0 ACAERP CN1CC[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C1 252775578 631166629 /nfs/dbraw/zinc/16/66/29/631166629.db2.gz KEHUACDGXGUVHP-QWRGUYRKSA-N 2 0 197.326 0.422 10 0 ACAERP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+]2C)N1 306210353 631168485 /nfs/dbraw/zinc/16/84/85/631168485.db2.gz OFEFBHVNBLCVCI-RKDXNWHRSA-N 2 0 196.298 0.018 10 0 ACAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCNCC2)C1 306254170 631168505 /nfs/dbraw/zinc/16/85/05/631168505.db2.gz UHNZSDXYJDFVHK-WDEREUQCSA-N 2 0 197.326 0.409 10 0 ACAERP CN1CCC[N@H+](CCCC[NH3+])CC1 20217535 1224165252 /nfs/dbraw/zinc/16/52/52/1224165252.db2.gz TZYHMYHATMDULH-UHFFFAOYSA-N 2 0 185.315 0.363 10 0 ACAERP CC[C@@H](C)[NH2+]CCN1CC[NH+](C)CC1 37654928 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1224199972 /nfs/dbraw/zinc/19/99/72/1224199972.db2.gz WRLIOCIQTMNTHI-VHSXEESVSA-N 2 0 198.310 0.487 10 0 ACAERP [NH3+]C1CCN([C@H]2CCC[NH2+]C2)CC1 199704355 1224208188 /nfs/dbraw/zinc/20/81/88/1224208188.db2.gz HCUZCEJMVIPHPG-JTQLQIEISA-N 2 0 183.299 0.162 10 0 ACAERP [NH3+]C1CCN([C@@H]2CCC[NH2+]C2)CC1 199704371 1224208882 /nfs/dbraw/zinc/20/88/82/1224208882.db2.gz HCUZCEJMVIPHPG-SNVBAGLBSA-N 2 0 183.299 0.162 10 0 ACAERP [NH3+]CC[C@@H]1CCNCC1(F)F 213856743 1224216206 /nfs/dbraw/zinc/21/62/06/1224216206.db2.gz NKRPCEHNVXFZGI-ZCFIWIBFSA-N 2 0 164.199 0.580 10 0 ACAERP [NH3+]C[C@@H]1CCNCC1(F)F 213664945 1224216570 /nfs/dbraw/zinc/21/65/70/1224216570.db2.gz BIQCESGGFBTRPA-YFKPBYRVSA-N 2 0 150.172 0.190 10 0 ACAERP C[NH+]1CCC(n2cc(C[NH3+])cn2)CC1 213801332 1224216821 /nfs/dbraw/zinc/21/68/21/1224216821.db2.gz QJPCAEBVBKEJDO-UHFFFAOYSA-N 2 0 194.282 0.609 10 0 ACAERP [NH3+]CC[C@H]1CCNCC1(F)F 213856799 1224216842 /nfs/dbraw/zinc/21/68/42/1224216842.db2.gz NKRPCEHNVXFZGI-LURJTMIESA-N 2 0 164.199 0.580 10 0 ACAERP [NH3+]C[C@H]1CCNCC1(F)F 213665002 1224216925 /nfs/dbraw/zinc/21/69/25/1224216925.db2.gz BIQCESGGFBTRPA-RXMQYKEDSA-N 2 0 150.172 0.190 10 0 ACAERP FC1(F)CC[NH2+]C[C@@]12CC[NH2+]C2 231380501 1224230154 /nfs/dbraw/zinc/23/01/54/1224230154.db2.gz QKQXUOLWJPNZKQ-ZETCQYMHSA-N 2 0 176.210 0.595 10 0 ACAERP FC1(F)CC[NH2+]C[C@]12CC[NH2+]C2 231380469 1224230390 /nfs/dbraw/zinc/23/03/90/1224230390.db2.gz QKQXUOLWJPNZKQ-SSDOTTSWSA-N 2 0 176.210 0.595 10 0 ACAERP [NH3+]CC1CCN(C[C@@H]2CCC[NH2+]2)CC1 306313857 1224253837 /nfs/dbraw/zinc/25/38/37/1224253837.db2.gz XYWNPQXUMRCSRA-NSHDSACASA-N 2 0 197.326 0.409 10 0 ACAERP [NH3+][C@@H]1CCN(CCC2CCOCC2)C1 306340372 1224255602 /nfs/dbraw/zinc/25/56/02/1224255602.db2.gz YRYQFBRKFJVWSI-LLVKDONJSA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+][C@H]1CCN(CCC2CCOCC2)C1 306340373 1224255882 /nfs/dbraw/zinc/25/58/82/1224255882.db2.gz YRYQFBRKFJVWSI-NSHDSACASA-N 2 0 198.310 0.836 10 0 ACAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@@H]12 306354093 1224256282 /nfs/dbraw/zinc/25/62/82/1224256282.db2.gz QLUQAPIRXVUJAB-IVZWLZJFSA-N 2 0 184.283 0.038 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@@H]21 306354094 1224256478 /nfs/dbraw/zinc/25/64/78/1224256478.db2.gz QLUQAPIRXVUJAB-KXUCPTDWSA-N 2 0 184.283 0.038 10 0 ACAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCO)C[C@H]12 306354095 1224256704 /nfs/dbraw/zinc/25/67/04/1224256704.db2.gz QLUQAPIRXVUJAB-LPEHRKFASA-N 2 0 184.283 0.038 10 0 ACAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCO)C[C@H]21 306354096 1224256817 /nfs/dbraw/zinc/25/68/17/1224256817.db2.gz QLUQAPIRXVUJAB-OPRDCNLKSA-N 2 0 184.283 0.038 10 0 ACAERP C1CC(CO[C@H]2CC[NH2+]C2)CC[NH2+]1 306475871 1224261705 /nfs/dbraw/zinc/26/17/05/1224261705.db2.gz YDNJAFSFLLCUQR-JTQLQIEISA-N 2 0 184.283 0.365 10 0 ACAERP C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1[NH3+] 306491809 1224262139 /nfs/dbraw/zinc/26/21/39/1224262139.db2.gz MPAVTOVXHPGDRC-YIZRAAEISA-N 2 0 172.272 0.227 10 0 ACAERP C[C@H]1COCC[N@@H+](C2CC[NH2+]CC2)C1 306588159 1224267485 /nfs/dbraw/zinc/26/74/85/1224267485.db2.gz AHMXSGPZIXBTFD-SNVBAGLBSA-N 2 0 198.310 0.707 10 0 ACAERP C[C@@H]1COCC[N@@H+](C2CC[NH2+]CC2)C1 306588158 1224267760 /nfs/dbraw/zinc/26/77/60/1224267760.db2.gz AHMXSGPZIXBTFD-JTQLQIEISA-N 2 0 198.310 0.707 10 0 ACAERP COCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 306639316 1224269389 /nfs/dbraw/zinc/26/93/89/1224269389.db2.gz NXZORARITNXUAZ-AOOOYVTPSA-N 2 0 184.283 0.126 10 0 ACAERP CN1CC(N[C@@H]2CCC[N@H+](C)CC2)C1 306644641 1224270096 /nfs/dbraw/zinc/27/00/96/1224270096.db2.gz AGAJRBFAZWPQOF-SNVBAGLBSA-N 2 0 197.326 0.374 10 0 ACAERP CN1CC(N[C@H]2CCC[N@H+](C)CC2)C1 306644627 1224270562 /nfs/dbraw/zinc/27/05/62/1224270562.db2.gz AGAJRBFAZWPQOF-JTQLQIEISA-N 2 0 197.326 0.374 10 0 ACAERP CC1([NH3+])CC[NH+](C2CCOCC2)CC1 306649635 1224270713 /nfs/dbraw/zinc/27/07/13/1224270713.db2.gz FDBHSGLCGKMWRL-UHFFFAOYSA-N 2 0 198.310 0.979 10 0 ACAERP C[C@@H]([NH2+]C1CC[NH2+]CC1)C(C)(C)O 306815257 1224273095 /nfs/dbraw/zinc/27/30/95/1224273095.db2.gz 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195.310 0.256 10 0 ACAERP CN(C1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 307516913 1224286053 /nfs/dbraw/zinc/28/60/53/1224286053.db2.gz IATUWDDBYJRMAX-LLVKDONJSA-N 2 0 197.326 0.422 10 0 ACAERP C[NH2+]C[C@@H]1CCN([C@H]2CCC[NH2+]C2)C1 307563111 1224287391 /nfs/dbraw/zinc/28/73/91/1224287391.db2.gz PBCXIHHQAYLMKJ-QWRGUYRKSA-N 2 0 197.326 0.280 10 0 ACAERP C[C@@H]1CC[C@H](N2CCC[C@@H](O)C2)C[NH2+]1 307551727 1224287478 /nfs/dbraw/zinc/28/74/78/1224287478.db2.gz ZIJRGGDVGYYXLL-OUAUKWLOSA-N 2 0 198.310 0.584 10 0 ACAERP C[C@@H]1CC[C@H](N2CCC[C@H](O)C2)C[NH2+]1 307551729 1224287621 /nfs/dbraw/zinc/28/76/21/1224287621.db2.gz ZIJRGGDVGYYXLL-VWYCJHECSA-N 2 0 198.310 0.584 10 0 ACAERP C[NH2+]C[C@@H]1CCN([C@@H]2CCC[NH2+]C2)C1 307563112 1224287705 /nfs/dbraw/zinc/28/77/05/1224287705.db2.gz PBCXIHHQAYLMKJ-WDEREUQCSA-N 2 0 197.326 0.280 10 0 ACAERP C[C@@H]1CC[C@@H](N2CCC[C@@H](O)C2)C[NH2+]1 307551724 1224287797 /nfs/dbraw/zinc/28/77/97/1224287797.db2.gz ZIJRGGDVGYYXLL-GMTAPVOTSA-N 2 0 198.310 0.584 10 0 ACAERP 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1224315350 /nfs/dbraw/zinc/31/53/50/1224315350.db2.gz CNQCNBFOJYCLDR-LLVKDONJSA-N 2 0 197.326 0.232 10 0 ACAERP [NH3+]CCCCC(=O)N1CCC([NH3+])CC1 380226033 1224318997 /nfs/dbraw/zinc/31/89/97/1224318997.db2.gz KHLIPCCZJRRPEL-UHFFFAOYSA-N 2 0 199.298 0.065 10 0 ACAERP CCN1CC[C@@H]([NH2+]CCCC[NH3+])C1 382121588 1224321852 /nfs/dbraw/zinc/32/18/52/1224321852.db2.gz GMODNFOLQIKHFL-SNVBAGLBSA-N 2 0 185.315 0.409 10 0 ACAERP CCN1CC[C@H]([NH2+]CCCC[NH3+])C1 382121582 1224321879 /nfs/dbraw/zinc/32/18/79/1224321879.db2.gz GMODNFOLQIKHFL-JTQLQIEISA-N 2 0 185.315 0.409 10 0 ACAERP CC[N@@H+]1CC[C@@H](N(C)C[C@H](C)[NH3+])C1 382239912 1224322751 /nfs/dbraw/zinc/32/27/51/1224322751.db2.gz RJTCPBQJEJLIFG-VHSXEESVSA-N 2 0 185.315 0.360 10 0 ACAERP CC[N@@H+]1CC[C@H](N(C)C[C@H](C)[NH3+])C1 382239911 1224323114 /nfs/dbraw/zinc/32/31/14/1224323114.db2.gz RJTCPBQJEJLIFG-UWVGGRQHSA-N 2 0 185.315 0.360 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCC[C@@H](O)CC1 393209201 1224332645 /nfs/dbraw/zinc/33/26/45/1224332645.db2.gz IMHJMARSJVDHFB-SNVBAGLBSA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]CCCC[N@@H+]1CCC[C@H](O)CC1 393209200 1224333463 /nfs/dbraw/zinc/33/34/63/1224333463.db2.gz IMHJMARSJVDHFB-JTQLQIEISA-N 2 0 186.299 0.572 10 0 ACAERP [NH3+]CCOCC[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397727164 1224337116 /nfs/dbraw/zinc/33/71/16/1224337116.db2.gz ZXNGATHMGKBOOX-ILWJIGKKSA-N 2 0 184.283 0.350 10 0 ACAERP Cc1c[nH+]c(N2CC[C@@H]([NH3+])C2)cc1N 1156228044 1224371653 /nfs/dbraw/zinc/37/16/53/1224371653.db2.gz ZZMGRFQNPXTVDY-MRVPVSSYSA-N 2 0 192.266 0.510 10 0 ACAERP Cc1c[nH+]c(N2CC[C@H]([NH3+])C2)cc1N 1156228046 1224372574 /nfs/dbraw/zinc/37/25/74/1224372574.db2.gz ZZMGRFQNPXTVDY-QMMMGPOBSA-N 2 0 192.266 0.510 10 0 ACAERP C[NH2+][C@H](C)CCN[C@@H]1C[NH2+]CC[C@H]1C 1329022040 1224441223 /nfs/dbraw/zinc/44/12/23/1224441223.db2.gz CGKCUUSCGVLSGR-GMTAPVOTSA-N 2 0 199.342 0.572 10 0 ACAERP C[NH2+][C@H](C)CCN[C@H]1C[NH2+]CC[C@@H]1C 1329022039 1224441766 /nfs/dbraw/zinc/44/17/66/1224441766.db2.gz CGKCUUSCGVLSGR-AXFHLTTASA-N 2 0 199.342 0.572 10 0 ACAERP C[NH2+][C@H](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C 1329022041 1224442008 /nfs/dbraw/zinc/44/20/08/1224442008.db2.gz CGKCUUSCGVLSGR-HBNTYKKESA-N 2 0 199.342 0.572 10 0 ACAERP C[NH2+][C@H](C)CCN[C@H]1C[NH2+]CC[C@H]1C 1329022042 1224442199 /nfs/dbraw/zinc/44/21/99/1224442199.db2.gz CGKCUUSCGVLSGR-MXWKQRLJSA-N 2 0 199.342 0.572 10 0 ACAERP CC[N@@H+]1CC[C@H](N(C)CC[NH3+])C[C@@H]1C 389292794 538440295 /nfs/dbraw/zinc/44/02/95/538440295.db2.gz IQPFZFAOHUKOKY-QWRGUYRKSA-N 2 0 199.342 0.750 10 0 ACAERP CC[N@@H+]1CC[C@@H](N(C)CC[NH3+])C[C@@H]1C 389292795 538440297 /nfs/dbraw/zinc/44/02/97/538440297.db2.gz IQPFZFAOHUKOKY-WDEREUQCSA-N 2 0 199.342 0.750 10 0 ACAERP CCC[C@H](C[NH3+])[C@](C)(O)C1C[NH2+]C1 669377675 538444182 /nfs/dbraw/zinc/44/41/82/538444182.db2.gz AMZVUZDENYSYMM-SCZZXKLOSA-N 2 0 186.299 0.332 10 0 ACAERP C[C@H]1CNCC[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 675054361 538448506 /nfs/dbraw/zinc/44/85/06/538448506.db2.gz UTEJBMVPTWYEAA-GUBZILKMSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@@H]1CNCC[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 675054362 538448681 /nfs/dbraw/zinc/44/86/81/538448681.db2.gz UTEJBMVPTWYEAA-OPRDCNLKSA-N 2 0 183.299 0.017 10 0 ACAERP C[C@@H]1[NH2+]CCC[C@H]1N1CC[NH2+]C[C@@H]1C 675055939 538448916 /nfs/dbraw/zinc/44/89/16/538448916.db2.gz DVCLZTOMVYULQP-GARJFASQSA-N 2 0 197.326 0.421 10 0 ACAERP [NH3+]CCN1C[C@@H]([NH3+])Cc2ccccc21 335301473 527186107 /nfs/dbraw/zinc/18/61/07/527186107.db2.gz OEFZFIXDLUZGCG-JTQLQIEISA-N 2 0 191.278 0.335 10 0 ACAERP [NH3+]CCN1C[C@H]([NH3+])Cc2ccccc21 335301474 527186629 /nfs/dbraw/zinc/18/66/29/527186629.db2.gz OEFZFIXDLUZGCG-SNVBAGLBSA-N 2 0 191.278 0.335 10 0 ACAERP [NH3+]Cc1ccc(F)cc1C[NH3+] 15446153 527255055 /nfs/dbraw/zinc/25/50/55/527255055.db2.gz PZAOALVSENBAGU-UHFFFAOYSA-N 2 0 154.188 0.743 10 0 ACAERP