smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC[C@H](C[NH3+])C(F)(F)F 18681424 537776889 /nfs/dbraw/zinc/77/68/89/537776889.db2.gz FVZHUQVONIWAJV-YFKPBYRVSA-N 1 3 170.178 0.733 10 0 ACAEHO CC[NH2+]C[C@H](CN)C(F)(F)F 18681424 537776898 /nfs/dbraw/zinc/77/68/98/537776898.db2.gz FVZHUQVONIWAJV-YFKPBYRVSA-N 1 3 170.178 0.733 10 0 ACAEHO CCNC[C@@H](C[NH3+])C(F)(F)F 18681422 537779133 /nfs/dbraw/zinc/77/91/33/537779133.db2.gz FVZHUQVONIWAJV-RXMQYKEDSA-N 1 3 170.178 0.733 10 0 ACAEHO CC[NH2+]C[C@@H](CN)C(F)(F)F 18681422 537779140 /nfs/dbraw/zinc/77/91/40/537779140.db2.gz FVZHUQVONIWAJV-RXMQYKEDSA-N 1 3 170.178 0.733 10 0 ACAEHO NC[C@@H]1CC[C@H]2CCC[NH2+][C@@H]12 24053929 537786362 /nfs/dbraw/zinc/78/63/62/537786362.db2.gz SYWPJCLOMZMSQJ-HRDYMLBCSA-N 1 3 154.257 0.723 10 0 ACAEHO NC[C@@H]1CC[C@@H]2CCC[NH2+][C@@H]12 24053925 537787175 /nfs/dbraw/zinc/78/71/75/537787175.db2.gz SYWPJCLOMZMSQJ-XHNCKOQMSA-N 1 3 154.257 0.723 10 0 ACAEHO [NH3+][C@@H]1C=C(C2CC2)CNC1 23326463 537788397 /nfs/dbraw/zinc/78/83/97/537788397.db2.gz AFGLKNIZLQMIIJ-MRVPVSSYSA-N 1 3 138.214 0.253 10 0 ACAEHO [NH3+]C1(C2CC2)CCNCC1 23789529 537789126 /nfs/dbraw/zinc/78/91/26/537789126.db2.gz UOIFETGUWHSRIC-UHFFFAOYSA-N 1 3 140.230 0.477 10 0 ACAEHO [NH3+][C@H]1C=C(C2CC2)CNC1 23326460 537789513 /nfs/dbraw/zinc/78/95/13/537789513.db2.gz AFGLKNIZLQMIIJ-QMMMGPOBSA-N 1 3 138.214 0.253 10 0 ACAEHO CCNC[C@@H]1C[NH2+]CC12CC2 675074855 537789540 /nfs/dbraw/zinc/78/95/40/537789540.db2.gz CIFRGTJBYATPSK-MRVPVSSYSA-N 1 3 154.257 0.596 10 0 ACAEHO C1CC1NC[C@@H]1C[NH2+]CC12CC2 675074875 537789688 /nfs/dbraw/zinc/78/96/88/537789688.db2.gz CKSZGOBMBYNWQO-QMMMGPOBSA-N 1 3 166.268 0.738 10 0 ACAEHO C1CC1NC[C@H]1C[NH2+]CC12CC2 675074871 537790083 /nfs/dbraw/zinc/79/00/83/537790083.db2.gz CKSZGOBMBYNWQO-MRVPVSSYSA-N 1 3 166.268 0.738 10 0 ACAEHO CCNC[C@H]1C[NH2+]CC12CC2 675074859 537791038 /nfs/dbraw/zinc/79/10/38/537791038.db2.gz CIFRGTJBYATPSK-QMMMGPOBSA-N 1 3 154.257 0.596 10 0 ACAEHO COCCCNC[C@H]1C[NH2+]CC12CC2 675075329 537791627 /nfs/dbraw/zinc/79/16/27/537791627.db2.gz MHQVZVJQIXUNTG-JTQLQIEISA-N 1 3 198.310 0.612 10 0 ACAEHO [NH3+][C@@H]1C=C(CC[C@H]2CCCO2)CNC1 675076795 537791952 /nfs/dbraw/zinc/79/19/52/537791952.db2.gz GICLPFPCLXNYQC-GHMZBOCLSA-N 1 3 196.294 0.803 10 0 ACAEHO [NH3+]C1CCC2(CC1)CNCCO2 675075734 537792022 /nfs/dbraw/zinc/79/20/22/537792022.db2.gz QAABGXZKVBVNCX-UHFFFAOYSA-N 1 3 170.256 0.246 10 0 ACAEHO CC(C)NC[C@@H]1C[NH2+]CC12CC2 675076140 537792468 /nfs/dbraw/zinc/79/24/68/537792468.db2.gz ZMBFOCWDAFFSNE-VIFPVBQESA-N 1 3 168.284 0.984 10 0 ACAEHO CCNCc1cc(C2C[NH2+]C2)n[nH]1 675075562 537792542 /nfs/dbraw/zinc/79/25/42/537792542.db2.gz AWFVLNGOPZAXMB-UHFFFAOYSA-N 1 3 180.255 0.206 10 0 ACAEHO [NH3+][C@@H]1C=C(CC[C@@H]2CCCO2)CNC1 675076797 537792739 /nfs/dbraw/zinc/79/27/39/537792739.db2.gz GICLPFPCLXNYQC-MNOVXSKESA-N 1 3 196.294 0.803 10 0 ACAEHO c1c(C2C[NH2+]C2)n[nH]c1CNC1CC1 675075753 537792751 /nfs/dbraw/zinc/79/27/51/537792751.db2.gz DYPDQJYERRWPRH-UHFFFAOYSA-N 1 3 192.266 0.349 10 0 ACAEHO [NH3+][C@H]1C=C(C2CCOCC2)CNC1 675076334 537793128 /nfs/dbraw/zinc/79/31/28/537793128.db2.gz BDBHVNHUBIPXRW-JTQLQIEISA-N 1 3 182.267 0.270 10 0 ACAEHO CCCC1=C[C@H]([NH3+])CNC1 675076575 537793367 /nfs/dbraw/zinc/79/33/67/537793367.db2.gz DKDRRQIBXGBXNB-QMMMGPOBSA-N 1 3 140.230 0.643 10 0 ACAEHO [NH3+][C@@H]1C=C(C2CCOCC2)CNC1 675076335 537793890 /nfs/dbraw/zinc/79/38/90/537793890.db2.gz BDBHVNHUBIPXRW-SNVBAGLBSA-N 1 3 182.267 0.270 10 0 ACAEHO CC(C)NC[C@H]1C[NH2+]CC12CC2 675076137 537794309 /nfs/dbraw/zinc/79/43/09/537794309.db2.gz ZMBFOCWDAFFSNE-SECBINFHSA-N 1 3 168.284 0.984 10 0 ACAEHO CC(C)(C)C1=C[C@@H]([NH3+])CNC1 675076787 537795257 /nfs/dbraw/zinc/79/52/57/537795257.db2.gz GICJYEPKQADJGU-MRVPVSSYSA-N 1 3 154.257 0.889 10 0 ACAEHO COCCCNC[C@@H]1C[NH2+]CC12CC2 675075330 537795324 /nfs/dbraw/zinc/79/53/24/537795324.db2.gz MHQVZVJQIXUNTG-SNVBAGLBSA-N 1 3 198.310 0.612 10 0 ACAEHO CC(C)(C)C1=C[C@H]([NH3+])CNC1 675076790 537795414 /nfs/dbraw/zinc/79/54/14/537795414.db2.gz GICJYEPKQADJGU-QMMMGPOBSA-N 1 3 154.257 0.889 10 0 ACAEHO CC(C)NCc1cc(C2C[NH2+]C2)n[nH]1 675076833 537795525 /nfs/dbraw/zinc/79/55/25/537795525.db2.gz RZDMFYNMNLAGBF-UHFFFAOYSA-N 1 3 194.282 0.595 10 0 ACAEHO COCCNC[C@H]1C[NH2+]CC12CC2 675075882 537795626 /nfs/dbraw/zinc/79/56/26/537795626.db2.gz WGIBYYKQOPGGNN-VIFPVBQESA-N 1 3 184.283 0.222 10 0 ACAEHO [NH3+][C@H]1C=C(CC[C@H]2CCCO2)CNC1 675076801 537795706 /nfs/dbraw/zinc/79/57/06/537795706.db2.gz GICLPFPCLXNYQC-WDEREUQCSA-N 1 3 196.294 0.803 10 0 ACAEHO CCCC1=C[C@@H]([NH3+])CNC1 675076574 537795791 /nfs/dbraw/zinc/79/57/91/537795791.db2.gz DKDRRQIBXGBXNB-MRVPVSSYSA-N 1 3 140.230 0.643 10 0 ACAEHO COCCNC[C@@H]1C[NH2+]CC12CC2 675075880 537795817 /nfs/dbraw/zinc/79/58/17/537795817.db2.gz WGIBYYKQOPGGNN-SECBINFHSA-N 1 3 184.283 0.222 10 0 ACAEHO [NH3+][C@H]1C=C(CC[C@@H]2CCCO2)CNC1 675076798 537795855 /nfs/dbraw/zinc/79/58/55/537795855.db2.gz GICLPFPCLXNYQC-QWRGUYRKSA-N 1 3 196.294 0.803 10 0 ACAEHO [NH3+][C@H]1C=C(C2CCC2)CNC1 675077351 537796141 /nfs/dbraw/zinc/79/61/41/537796141.db2.gz CUJGAIGJCSXOTL-VIFPVBQESA-N 1 3 152.241 0.643 10 0 ACAEHO NCCC[N@H+](CCO)C1CCCC1 34960494 537796840 /nfs/dbraw/zinc/79/68/40/537796840.db2.gz DYXVXVBHMLYVIE-UHFFFAOYSA-N 1 3 186.299 0.572 10 0 ACAEHO NCCC[N@@H+](CCO)C1CCCC1 34960494 537796845 /nfs/dbraw/zinc/79/68/45/537796845.db2.gz DYXVXVBHMLYVIE-UHFFFAOYSA-N 1 3 186.299 0.572 10 0 ACAEHO CC(C)C1=C[C@H]([NH3+])CNC1 675077700 537797067 /nfs/dbraw/zinc/79/70/67/537797067.db2.gz HJPDPUUWHJZAHV-QMMMGPOBSA-N 1 3 140.230 0.499 10 0 ACAEHO CCC1=C[C@H]([NH3+])CNC1 675078021 537797277 /nfs/dbraw/zinc/79/72/77/537797277.db2.gz LXQCSWDXAKYMOV-ZETCQYMHSA-N 1 3 126.203 0.253 10 0 ACAEHO CCC1=C[C@@H]([NH3+])CNC1 675078016 537797480 /nfs/dbraw/zinc/79/74/80/537797480.db2.gz LXQCSWDXAKYMOV-SSDOTTSWSA-N 1 3 126.203 0.253 10 0 ACAEHO CC(C)CC1=C[C@H]([NH3+])CNC1 675077712 537798000 /nfs/dbraw/zinc/79/80/00/537798000.db2.gz QUEDWSFRGIMNPE-VIFPVBQESA-N 1 3 154.257 0.889 10 0 ACAEHO CC(C)CC1=C[C@@H]([NH3+])CNC1 675077711 537798686 /nfs/dbraw/zinc/79/86/86/537798686.db2.gz QUEDWSFRGIMNPE-SECBINFHSA-N 1 3 154.257 0.889 10 0 ACAEHO [NH3+][C@@H]1C=C(C2CCC2)CNC1 675077350 537799605 /nfs/dbraw/zinc/79/96/05/537799605.db2.gz CUJGAIGJCSXOTL-SECBINFHSA-N 1 3 152.241 0.643 10 0 ACAEHO [NH3+][C@@H]1C=C(C[C@H]2CCOC2)CNC1 675077209 537799646 /nfs/dbraw/zinc/79/96/46/537799646.db2.gz AWQXXSGXBUDEPQ-PSASIEDQSA-N 1 3 182.267 0.270 10 0 ACAEHO [NH3+][C@H]1C=C(C[C@@H]2CCOC2)CNC1 675077212 537799827 /nfs/dbraw/zinc/79/98/27/537799827.db2.gz AWQXXSGXBUDEPQ-WPRPVWTQSA-N 1 3 182.267 0.270 10 0 ACAEHO [NH3+][C@@H]1C=C(C[C@@H]2CCOC2)CNC1 675077211 537800021 /nfs/dbraw/zinc/80/00/21/537800021.db2.gz AWQXXSGXBUDEPQ-WCBMZHEXSA-N 1 3 182.267 0.270 10 0 ACAEHO [NH3+][C@H]1C=C(C[C@H]2CCOC2)CNC1 675077210 537800188 /nfs/dbraw/zinc/80/01/88/537800188.db2.gz AWQXXSGXBUDEPQ-SCZZXKLOSA-N 1 3 182.267 0.270 10 0 ACAEHO CC(C)C1=C[C@@H]([NH3+])CNC1 675077699 537800841 /nfs/dbraw/zinc/80/08/41/537800841.db2.gz HJPDPUUWHJZAHV-MRVPVSSYSA-N 1 3 140.230 0.499 10 0 ACAEHO [NH3+][C@H]1C=C(CC2CCOCC2)CNC1 675079419 537803668 /nfs/dbraw/zinc/80/36/68/537803668.db2.gz YTBUMHWUFVPMIQ-NSHDSACASA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+][C@@H]1C=C(C[C@H]2CCCOC2)CNC1 675079490 537803382 /nfs/dbraw/zinc/80/33/82/537803382.db2.gz ZLQJUTKZRZTJDK-MWLCHTKSSA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+][C@@H]1C=C(CC2CCOCC2)CNC1 675079417 537803477 /nfs/dbraw/zinc/80/34/77/537803477.db2.gz YTBUMHWUFVPMIQ-LLVKDONJSA-N 1 3 196.294 0.660 10 0 ACAEHO CC[C@H](C)C1=C[C@H]([NH3+])CNC1 675079434 537803890 /nfs/dbraw/zinc/80/38/90/537803890.db2.gz YVUJAEYYVWMPCI-CBAPKCEASA-N 1 3 154.257 0.889 10 0 ACAEHO CC[C@@H](C)C1=C[C@@H]([NH3+])CNC1 675079437 537804011 /nfs/dbraw/zinc/80/40/11/537804011.db2.gz YVUJAEYYVWMPCI-VXNVDRBHSA-N 1 3 154.257 0.889 10 0 ACAEHO [NH3+][C@H]1C=C(C[C@@H]2CCCOC2)CNC1 675079491 537804207 /nfs/dbraw/zinc/80/42/07/537804207.db2.gz ZLQJUTKZRZTJDK-ONGXEEELSA-N 1 3 196.294 0.660 10 0 ACAEHO CC[C@H](C)C1=C[C@@H]([NH3+])CNC1 675079436 537804240 /nfs/dbraw/zinc/80/42/40/537804240.db2.gz YVUJAEYYVWMPCI-IONNQARKSA-N 1 3 154.257 0.889 10 0 ACAEHO [NH3+][C@H]1C=C(C[C@H]2CCCOC2)CNC1 675079489 537804266 /nfs/dbraw/zinc/80/42/66/537804266.db2.gz ZLQJUTKZRZTJDK-KOLCDFICSA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+]C[C@]12C[C@H]1CCCN2 675079449 537804378 /nfs/dbraw/zinc/80/43/78/537804378.db2.gz FZPMHCUSVDEMHU-RNFRBKRXSA-N 1 3 126.203 0.087 10 0 ACAEHO [NH3+][C@@H]1C=C(C[C@@H]2CCCOC2)CNC1 675079488 537804411 /nfs/dbraw/zinc/80/44/11/537804411.db2.gz ZLQJUTKZRZTJDK-GXSJLCMTSA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+]C[C@@]12C[C@@H]1CCCN2 675079440 537804519 /nfs/dbraw/zinc/80/45/19/537804519.db2.gz FZPMHCUSVDEMHU-BQBZGAKWSA-N 1 3 126.203 0.087 10 0 ACAEHO CC[C@@H](C)C1=C[C@H]([NH3+])CNC1 675079433 537804895 /nfs/dbraw/zinc/80/48/95/537804895.db2.gz YVUJAEYYVWMPCI-APPZFPTMSA-N 1 3 154.257 0.889 10 0 ACAEHO CN[C@@H]1C[C@H]([NH3+])C12CCOCC2 675080972 537806996 /nfs/dbraw/zinc/80/69/96/537806996.db2.gz YRGKGGNURMWYSV-JGVFFNPUSA-N 1 3 170.256 0.102 10 0 ACAEHO CN(C)[C@H]1C[C@@H]([NH3+])C12CCOCC2 675080937 537807055 /nfs/dbraw/zinc/80/70/55/537807055.db2.gz YIELJSGZYSDQLR-BDAKNGLRSA-N 1 3 184.283 0.444 10 0 ACAEHO C[NH+](C)[C@H]1C[C@@H](N)C12CCOCC2 675080937 537807060 /nfs/dbraw/zinc/80/70/60/537807060.db2.gz YIELJSGZYSDQLR-BDAKNGLRSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+][C@H]1C[C@@H](NC2CC2)C12CCOCC2 675080615 537807168 /nfs/dbraw/zinc/80/71/68/537807168.db2.gz SYYYBHPRPNKOSW-VHSXEESVSA-N 1 3 196.294 0.635 10 0 ACAEHO [NH3+][C@H]1C[C@H](NC2CC2)C12CCOCC2 675080613 537807643 /nfs/dbraw/zinc/80/76/43/537807643.db2.gz SYYYBHPRPNKOSW-UWVGGRQHSA-N 1 3 196.294 0.635 10 0 ACAEHO CN(C)[C@H]1C[C@H]([NH3+])C12CCOCC2 675080946 537807756 /nfs/dbraw/zinc/80/77/56/537807756.db2.gz YIELJSGZYSDQLR-IUCAKERBSA-N 1 3 184.283 0.444 10 0 ACAEHO C[NH+](C)[C@H]1C[C@H](N)C12CCOCC2 675080946 537807761 /nfs/dbraw/zinc/80/77/61/537807761.db2.gz YIELJSGZYSDQLR-IUCAKERBSA-N 1 3 184.283 0.444 10 0 ACAEHO CCN[C@@H]1C[C@H]([NH3+])C12CCOCC2 675080486 537807934 /nfs/dbraw/zinc/80/79/34/537807934.db2.gz RRHQVCMZPZUJMP-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO CN[C@H]1C[C@@H]([NH3+])C12CCOCC2 675080973 537808252 /nfs/dbraw/zinc/80/82/52/537808252.db2.gz YRGKGGNURMWYSV-SFYZADRCSA-N 1 3 170.256 0.102 10 0 ACAEHO CCN[C@H]1C[C@@H]([NH3+])C12CCOCC2 675080485 537808416 /nfs/dbraw/zinc/80/84/16/537808416.db2.gz RRHQVCMZPZUJMP-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO CN[C@H]1C[C@H]([NH3+])C12CCOCC2 675080978 537808539 /nfs/dbraw/zinc/80/85/39/537808539.db2.gz YRGKGGNURMWYSV-YUMQZZPRSA-N 1 3 170.256 0.102 10 0 ACAEHO [NH3+][C@@H]1C[C@H](NC2CC2)C12CCOCC2 675080618 537808590 /nfs/dbraw/zinc/80/85/90/537808590.db2.gz SYYYBHPRPNKOSW-ZJUUUORDSA-N 1 3 196.294 0.635 10 0 ACAEHO CN(C)[C@@H]1C[C@H]([NH3+])C12CCOCC2 675080943 537808629 /nfs/dbraw/zinc/80/86/29/537808629.db2.gz YIELJSGZYSDQLR-DTWKUNHWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[NH+](C)[C@@H]1C[C@H](N)C12CCOCC2 675080943 537808636 /nfs/dbraw/zinc/80/86/36/537808636.db2.gz YIELJSGZYSDQLR-DTWKUNHWSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+][C@@H]1C[C@@H](NC2CC2)C12CCOCC2 675080612 537808785 /nfs/dbraw/zinc/80/87/85/537808785.db2.gz SYYYBHPRPNKOSW-NXEZZACHSA-N 1 3 196.294 0.635 10 0 ACAEHO CCN[C@H]1C[C@H]([NH3+])C12CCOCC2 675080487 537808844 /nfs/dbraw/zinc/80/88/44/537808844.db2.gz RRHQVCMZPZUJMP-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO CN[C@@H]1C[C@@H]([NH3+])C12CCOCC2 675080970 537808916 /nfs/dbraw/zinc/80/89/16/537808916.db2.gz YRGKGGNURMWYSV-HTQZYQBOSA-N 1 3 170.256 0.102 10 0 ACAEHO CCN[C@@H]1C[C@@H]([NH3+])C12CCOCC2 675080488 537809456 /nfs/dbraw/zinc/80/94/56/537809456.db2.gz RRHQVCMZPZUJMP-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO CN(C)[C@@H]1C[C@@H]([NH3+])C12CCOCC2 675080948 537809797 /nfs/dbraw/zinc/80/97/97/537809797.db2.gz YIELJSGZYSDQLR-RKDXNWHRSA-N 1 3 184.283 0.444 10 0 ACAEHO C[NH+](C)[C@@H]1C[C@@H](N)C12CCOCC2 675080948 537809803 /nfs/dbraw/zinc/80/98/03/537809803.db2.gz YIELJSGZYSDQLR-RKDXNWHRSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(N2CCOCC2)CCC([NH3+])CC1 685945739 537815146 /nfs/dbraw/zinc/81/51/46/537815146.db2.gz JCZXWPVNQYNVGS-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO CCNCc1cnn2c1C[C@H]([NH3+])CC2 685946452 537815533 /nfs/dbraw/zinc/81/55/33/537815533.db2.gz KXKOEWRIQYGRLN-SECBINFHSA-N 1 3 194.282 0.266 10 0 ACAEHO CCNCc1cnn2c1C[C@@H]([NH3+])CC2 685946456 537815657 /nfs/dbraw/zinc/81/56/57/537815657.db2.gz KXKOEWRIQYGRLN-VIFPVBQESA-N 1 3 194.282 0.266 10 0 ACAEHO CC(C)[C@H]1CNC[C@@H]([NH3+])C1 685946862 537818108 /nfs/dbraw/zinc/81/81/08/537818108.db2.gz DJBYDEZPRCIJRE-SFYZADRCSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@@H]1CC[C@@]([NH3+])(C2=NCCN2)C1 685947281 537818185 /nfs/dbraw/zinc/81/81/85/537818185.db2.gz IFQJZRAETLJQGE-APPZFPTMSA-N 1 3 167.256 0.506 10 0 ACAEHO CC(C)[C@H]1CNC[C@H]([NH3+])C1 685946860 537818431 /nfs/dbraw/zinc/81/84/31/537818431.db2.gz DJBYDEZPRCIJRE-HTQZYQBOSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@@H]1CC[C@]([NH3+])(C2=NCCN2)C1 685947295 537819156 /nfs/dbraw/zinc/81/91/56/537819156.db2.gz IFQJZRAETLJQGE-VXNVDRBHSA-N 1 3 167.256 0.506 10 0 ACAEHO CC(C)[C@@H]1CNC[C@H]([NH3+])C1 685946861 537819398 /nfs/dbraw/zinc/81/93/98/537819398.db2.gz DJBYDEZPRCIJRE-JGVFFNPUSA-N 1 3 142.246 0.579 10 0 ACAEHO CC(C)[C@@H]1CNC[C@@H]([NH3+])C1 685946863 537820353 /nfs/dbraw/zinc/82/03/53/537820353.db2.gz DJBYDEZPRCIJRE-YUMQZZPRSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@H]1CC[C@]([NH3+])(C2=NCCN2)C1 685947294 537820306 /nfs/dbraw/zinc/82/03/06/537820306.db2.gz IFQJZRAETLJQGE-IONNQARKSA-N 1 3 167.256 0.506 10 0 ACAEHO C[C@H]1CC[C@@]([NH3+])(C2=NCCN2)C1 685947293 537820807 /nfs/dbraw/zinc/82/08/07/537820807.db2.gz IFQJZRAETLJQGE-CBAPKCEASA-N 1 3 167.256 0.506 10 0 ACAEHO CC[NH2+]C[C@H](CN)C1CCC1 685947742 537821696 /nfs/dbraw/zinc/82/16/96/537821696.db2.gz ZGZQULMYJCSKHT-VIFPVBQESA-N 1 3 156.273 0.971 10 0 ACAEHO CC[NH2+]C[C@@H](CN)C1CCC1 685947738 537821907 /nfs/dbraw/zinc/82/19/07/537821907.db2.gz ZGZQULMYJCSKHT-SECBINFHSA-N 1 3 156.273 0.971 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H](C)[C@@H]1N1CCC1 685951783 537832639 /nfs/dbraw/zinc/83/26/39/537832639.db2.gz YCWACEUCTLYHTH-MYJAWHEDSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[NH+]1CCC1 685951783 537832646 /nfs/dbraw/zinc/83/26/46/537832646.db2.gz YCWACEUCTLYHTH-MYJAWHEDSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N1CCC1 685951784 537833593 /nfs/dbraw/zinc/83/35/93/537833593.db2.gz YCWACEUCTLYHTH-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CNC[C@@H](C)C1[NH+]1CCC1 685951784 537833599 /nfs/dbraw/zinc/83/35/99/537833599.db2.gz YCWACEUCTLYHTH-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H](C)C1N1CCC1 685951782 537833731 /nfs/dbraw/zinc/83/37/31/537833731.db2.gz YCWACEUCTLYHTH-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1CNC[C@H](C)C1[NH+]1CCC1 685951782 537833735 /nfs/dbraw/zinc/83/37/35/537833735.db2.gz YCWACEUCTLYHTH-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@@]12CCCOCC2 685952751 537834236 /nfs/dbraw/zinc/83/42/36/537834236.db2.gz CRVOWRBZULKEFX-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 685952641 537834769 /nfs/dbraw/zinc/83/47/69/537834769.db2.gz BHQNMNSVWMBJGD-MNOVXSKESA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)[C@@]12CN1CCC2CC1 685952641 537834772 /nfs/dbraw/zinc/83/47/72/537834772.db2.gz BHQNMNSVWMBJGD-MNOVXSKESA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@H+]1CC[C@@H](N)[C@@]12CN1CCC2CC1 685952641 537834780 /nfs/dbraw/zinc/83/47/80/537834780.db2.gz BHQNMNSVWMBJGD-MNOVXSKESA-N 1 3 195.310 0.114 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 685952646 537835371 /nfs/dbraw/zinc/83/53/71/537835371.db2.gz BHQNMNSVWMBJGD-WDEREUQCSA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@]12CN1CCC2CC1 685952646 537835378 /nfs/dbraw/zinc/83/53/78/537835378.db2.gz BHQNMNSVWMBJGD-WDEREUQCSA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@]12CN1CCC2CC1 685952646 537835386 /nfs/dbraw/zinc/83/53/86/537835386.db2.gz BHQNMNSVWMBJGD-WDEREUQCSA-N 1 3 195.310 0.114 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 685952644 537835450 /nfs/dbraw/zinc/83/54/50/537835450.db2.gz BHQNMNSVWMBJGD-QWRGUYRKSA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@@]12CN1CCC2CC1 685952644 537835457 /nfs/dbraw/zinc/83/54/57/537835457.db2.gz BHQNMNSVWMBJGD-QWRGUYRKSA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@@]12CN1CCC2CC1 685952644 537835459 /nfs/dbraw/zinc/83/54/59/537835459.db2.gz BHQNMNSVWMBJGD-QWRGUYRKSA-N 1 3 195.310 0.114 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 685952639 537836317 /nfs/dbraw/zinc/83/63/17/537836317.db2.gz BHQNMNSVWMBJGD-GHMZBOCLSA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)[C@]12CN1CCC2CC1 685952639 537836325 /nfs/dbraw/zinc/83/63/25/537836325.db2.gz BHQNMNSVWMBJGD-GHMZBOCLSA-N 1 3 195.310 0.114 10 0 ACAEHO C[N@H+]1CC[C@@H](N)[C@]12CN1CCC2CC1 685952639 537836330 /nfs/dbraw/zinc/83/63/30/537836330.db2.gz BHQNMNSVWMBJGD-GHMZBOCLSA-N 1 3 195.310 0.114 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@]12CCCOCC2 685952754 537836495 /nfs/dbraw/zinc/83/64/95/537836495.db2.gz CRVOWRBZULKEFX-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@@]12CCCOCC2 685952756 537836895 /nfs/dbraw/zinc/83/68/95/537836895.db2.gz CRVOWRBZULKEFX-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@]12CCCOCC2 685952749 537838026 /nfs/dbraw/zinc/83/80/26/537838026.db2.gz CRVOWRBZULKEFX-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C12CCC(=O)CC2 685953479 537839131 /nfs/dbraw/zinc/83/91/31/537839131.db2.gz HMINBIWQNNBOSI-VIFPVBQESA-N 1 3 182.267 0.531 10 0 ACAEHO C[N@H+]1CC[C@H](N)C12CCC(=O)CC2 685953479 537839139 /nfs/dbraw/zinc/83/91/39/537839139.db2.gz HMINBIWQNNBOSI-VIFPVBQESA-N 1 3 182.267 0.531 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)C12CCC(=O)CC2 685953478 537840239 /nfs/dbraw/zinc/84/02/39/537840239.db2.gz HMINBIWQNNBOSI-SECBINFHSA-N 1 3 182.267 0.531 10 0 ACAEHO C[N@H+]1CC[C@@H](N)C12CCC(=O)CC2 685953478 537840240 /nfs/dbraw/zinc/84/02/40/537840240.db2.gz HMINBIWQNNBOSI-SECBINFHSA-N 1 3 182.267 0.531 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@]12CCCOCC2 685954429 537843871 /nfs/dbraw/zinc/84/38/71/537843871.db2.gz MMUQMRHKMSMIOJ-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@@]12CCCOCC2 685954425 537845113 /nfs/dbraw/zinc/84/51/13/537845113.db2.gz MMUQMRHKMSMIOJ-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@@]12CCCOCC2 685954427 537845268 /nfs/dbraw/zinc/84/52/68/537845268.db2.gz MMUQMRHKMSMIOJ-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@]12CCCOCC2 685954422 537846339 /nfs/dbraw/zinc/84/63/39/537846339.db2.gz MMUQMRHKMSMIOJ-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H]1C[C@@]2(C[C@@H](C)O1)[C@H]([NH3+])CCN2C 685955473 537852239 /nfs/dbraw/zinc/85/22/39/537852239.db2.gz ZZZJIJGMRJAMSU-YTWAJWBKSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@H]1C[C@]2(C[C@@H](C)O1)[C@H]([NH3+])CCN2C 685955471 537850446 /nfs/dbraw/zinc/85/04/46/537850446.db2.gz ZZZJIJGMRJAMSU-LMLFDSFASA-N 1 3 198.310 0.975 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)[C@@]12CCSC2 685955152 537851217 /nfs/dbraw/zinc/85/12/17/537851217.db2.gz USXDPBSMRJRNPX-SFYZADRCSA-N 1 3 172.297 0.525 10 0 ACAEHO C[N@H+]1CC[C@@H](N)[C@@]12CCSC2 685955152 537851221 /nfs/dbraw/zinc/85/12/21/537851221.db2.gz USXDPBSMRJRNPX-SFYZADRCSA-N 1 3 172.297 0.525 10 0 ACAEHO C[C@H]1C[C@]2(C[C@@H](C)O1)[C@@H]([NH3+])CCN2C 685955472 537851240 /nfs/dbraw/zinc/85/12/40/537851240.db2.gz ZZZJIJGMRJAMSU-VLEAKVRGSA-N 1 3 198.310 0.975 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@]12CCSC2 685955151 537851669 /nfs/dbraw/zinc/85/16/69/537851669.db2.gz USXDPBSMRJRNPX-JGVFFNPUSA-N 1 3 172.297 0.525 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@]12CCSC2 685955151 537851673 /nfs/dbraw/zinc/85/16/73/537851673.db2.gz USXDPBSMRJRNPX-JGVFFNPUSA-N 1 3 172.297 0.525 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)[C@]12CCSC2 685955150 537851691 /nfs/dbraw/zinc/85/16/91/537851691.db2.gz USXDPBSMRJRNPX-HTQZYQBOSA-N 1 3 172.297 0.525 10 0 ACAEHO C[N@H+]1CC[C@@H](N)[C@]12CCSC2 685955150 537851697 /nfs/dbraw/zinc/85/16/97/537851697.db2.gz USXDPBSMRJRNPX-HTQZYQBOSA-N 1 3 172.297 0.525 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@@]12CCSC2 685955153 537852466 /nfs/dbraw/zinc/85/24/66/537852466.db2.gz USXDPBSMRJRNPX-YUMQZZPRSA-N 1 3 172.297 0.525 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@@]12CCSC2 685955153 537852472 /nfs/dbraw/zinc/85/24/72/537852472.db2.gz USXDPBSMRJRNPX-YUMQZZPRSA-N 1 3 172.297 0.525 10 0 ACAEHO C[C@H]1C[C@@]2(C[C@@H](C)O1)[C@@H]([NH3+])CCN2C 685955474 537852723 /nfs/dbraw/zinc/85/27/23/537852723.db2.gz ZZZJIJGMRJAMSU-ZRUFSTJUSA-N 1 3 198.310 0.975 10 0 ACAEHO NC[C@@H]1CC[C@H]2CCC[NH2+][C@H]12 685959855 537863537 /nfs/dbraw/zinc/86/35/37/537863537.db2.gz SYWPJCLOMZMSQJ-VGMNWLOBSA-N 1 3 154.257 0.723 10 0 ACAEHO NC[C@@H]1CC[C@@H]2CCC[NH2+][C@H]12 685959854 537863741 /nfs/dbraw/zinc/86/37/41/537863741.db2.gz SYWPJCLOMZMSQJ-CIUDSAMLSA-N 1 3 154.257 0.723 10 0 ACAEHO [NH3+]CCc1nc2c(s1)CNCC2 75845501 537872948 /nfs/dbraw/zinc/87/29/48/537872948.db2.gz XTEYQOGZKFZJEL-UHFFFAOYSA-N 1 3 183.280 0.290 10 0 ACAEHO Nc1nccn1CC[NH+]1CCCC1 83273837 537896161 /nfs/dbraw/zinc/89/61/61/537896161.db2.gz CJDCXGWQAIJKLG-UHFFFAOYSA-N 1 3 180.255 0.561 10 0 ACAEHO FC1(F)CNCC12CC[NH2+]CC2 725246960 537898435 /nfs/dbraw/zinc/89/84/35/537898435.db2.gz BPJBQLHIPMXDJV-UHFFFAOYSA-N 1 3 176.210 0.595 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](CN2CCOCC2)C1 85014248 537913905 /nfs/dbraw/zinc/91/39/05/537913905.db2.gz GKDOJCSFNDFOAJ-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C1([C@@H]2CCCO2)CCNCC1 725255235 537916943 /nfs/dbraw/zinc/91/69/43/537916943.db2.gz WVVJPOGLICDUJM-QMMMGPOBSA-N 1 3 170.256 0.246 10 0 ACAEHO [NH3+]C1([C@H]2CCCO2)CCNCC1 725255233 537918032 /nfs/dbraw/zinc/91/80/32/537918032.db2.gz WVVJPOGLICDUJM-MRVPVSSYSA-N 1 3 170.256 0.246 10 0 ACAEHO [NH3+]C1CCN([C@@H]2[C@H]3COC[C@H]32)CC1 725269427 537929659 /nfs/dbraw/zinc/92/96/59/537929659.db2.gz KYKHSQQWGWLLSJ-MYJAWHEDSA-N 1 3 182.267 0.054 10 0 ACAEHO COCCNC[C@H]1C[NH2+]CC12CCC2 725268851 537928250 /nfs/dbraw/zinc/92/82/50/537928250.db2.gz CPPPUIOSRBMECW-JTQLQIEISA-N 1 3 198.310 0.612 10 0 ACAEHO C[C@H](CO)NC[C@H]1C[NH2+]CC12CCC2 725269558 537928310 /nfs/dbraw/zinc/92/83/10/537928310.db2.gz WCEWOUSSDYYCMK-NXEZZACHSA-N 1 3 198.310 0.347 10 0 ACAEHO CCNC[C@@H]1C[NH2+]CC12CCC2 725269339 537928766 /nfs/dbraw/zinc/92/87/66/537928766.db2.gz RSUFSGGOFNTOJE-SECBINFHSA-N 1 3 168.284 0.986 10 0 ACAEHO CCNC[C@@](C)([NH3+])C(C)C 725269998 537928806 /nfs/dbraw/zinc/92/88/06/537928806.db2.gz BIDYEBCSSKIPPM-MRVPVSSYSA-N 1 3 144.262 0.969 10 0 ACAEHO CNC[C@@H]1C[NH2+]CC12CCC2 725269456 537929072 /nfs/dbraw/zinc/92/90/72/537929072.db2.gz UKIWMCVKQSHRAF-MRVPVSSYSA-N 1 3 154.257 0.596 10 0 ACAEHO C[C@@H](CO)NC[C@@H]1C[NH2+]CC12CCC2 725269559 537929777 /nfs/dbraw/zinc/92/97/77/537929777.db2.gz WCEWOUSSDYYCMK-UWVGGRQHSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@H](CO)NC[C@@H]1C[NH2+]CC12CCC2 725269561 537929956 /nfs/dbraw/zinc/92/99/56/537929956.db2.gz WCEWOUSSDYYCMK-ZJUUUORDSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H](CO)NC[C@H]1C[NH2+]CC12CCC2 725269560 537930077 /nfs/dbraw/zinc/93/00/77/537930077.db2.gz WCEWOUSSDYYCMK-VHSXEESVSA-N 1 3 198.310 0.347 10 0 ACAEHO CCNC[C@H]1C[NH2+]CC12CCC2 725269340 537930099 /nfs/dbraw/zinc/93/00/99/537930099.db2.gz RSUFSGGOFNTOJE-VIFPVBQESA-N 1 3 168.284 0.986 10 0 ACAEHO CNC[C@H]1C[NH2+]CC12CCC2 725269461 537930153 /nfs/dbraw/zinc/93/01/53/537930153.db2.gz UKIWMCVKQSHRAF-QMMMGPOBSA-N 1 3 154.257 0.596 10 0 ACAEHO COCCNC[C@@H]1C[NH2+]CC12CCC2 725268852 537930830 /nfs/dbraw/zinc/93/08/30/537930830.db2.gz CPPPUIOSRBMECW-SNVBAGLBSA-N 1 3 198.310 0.612 10 0 ACAEHO CC(C)NC[C@@]12CC[C@H]1C[NH2+]C2 725272122 537931510 /nfs/dbraw/zinc/93/15/10/537931510.db2.gz HMRQDGHHDOFMLA-UWVGGRQHSA-N 1 3 168.284 0.984 10 0 ACAEHO CCNC[C@](C)([NH3+])C(C)C 725269999 537931547 /nfs/dbraw/zinc/93/15/47/537931547.db2.gz BIDYEBCSSKIPPM-QMMMGPOBSA-N 1 3 144.262 0.969 10 0 ACAEHO C1CC1NC[C@@]12CC[C@@H]1C[NH2+]C2 725271748 537932024 /nfs/dbraw/zinc/93/20/24/537932024.db2.gz BSRYSOQUQXWJGD-SCZZXKLOSA-N 1 3 166.268 0.738 10 0 ACAEHO C1CC1NC[C@]12CC[C@H]1C[NH2+]C2 725271749 537932548 /nfs/dbraw/zinc/93/25/48/537932548.db2.gz BSRYSOQUQXWJGD-WCBMZHEXSA-N 1 3 166.268 0.738 10 0 ACAEHO CC(C)NC[C@@]12CC[C@@H]1C[NH2+]C2 725272124 537932893 /nfs/dbraw/zinc/93/28/93/537932893.db2.gz HMRQDGHHDOFMLA-ZJUUUORDSA-N 1 3 168.284 0.984 10 0 ACAEHO CC(C)NC[C@]12CC[C@H]1C[NH2+]C2 725272123 537933258 /nfs/dbraw/zinc/93/32/58/537933258.db2.gz HMRQDGHHDOFMLA-VHSXEESVSA-N 1 3 168.284 0.984 10 0 ACAEHO CNC[C@@](C)([NH3+])C(C)C 725270720 537933652 /nfs/dbraw/zinc/93/36/52/537933652.db2.gz QVMLDISKOXHYTF-SSDOTTSWSA-N 1 3 130.235 0.579 10 0 ACAEHO CNC[C@](C)([NH3+])C(C)C 725270727 537934105 /nfs/dbraw/zinc/93/41/05/537934105.db2.gz QVMLDISKOXHYTF-ZETCQYMHSA-N 1 3 130.235 0.579 10 0 ACAEHO C1CC1NC[C@]12CC[C@@H]1C[NH2+]C2 725271745 537934253 /nfs/dbraw/zinc/93/42/53/537934253.db2.gz BSRYSOQUQXWJGD-PSASIEDQSA-N 1 3 166.268 0.738 10 0 ACAEHO CC(C)NC[C@]12CC[C@@H]1C[NH2+]C2 725272121 537934437 /nfs/dbraw/zinc/93/44/37/537934437.db2.gz HMRQDGHHDOFMLA-NXEZZACHSA-N 1 3 168.284 0.984 10 0 ACAEHO C1CC1NC[C@@]12CC[C@H]1C[NH2+]C2 725271750 537934659 /nfs/dbraw/zinc/93/46/59/537934659.db2.gz BSRYSOQUQXWJGD-WPRPVWTQSA-N 1 3 166.268 0.738 10 0 ACAEHO CNC[C@]12CC[C@H]1C[NH2+]C2 725272832 537935205 /nfs/dbraw/zinc/93/52/05/537935205.db2.gz SJZMBMRMACIQPX-YUMQZZPRSA-N 1 3 140.230 0.205 10 0 ACAEHO N[C@@H]1CC[C@@]23CCC[C@@]12C[NH2+]C3 725273545 537935272 /nfs/dbraw/zinc/93/52/72/537935272.db2.gz KESFJZCTMMSJAM-OPRDCNLKSA-N 1 3 166.268 0.867 10 0 ACAEHO CNC[C@@]12CC[C@H]1C[NH2+]C2 725272830 537935758 /nfs/dbraw/zinc/93/57/58/537935758.db2.gz SJZMBMRMACIQPX-JGVFFNPUSA-N 1 3 140.230 0.205 10 0 ACAEHO N[C@@H]1CC[C@]23CCC[C@]12C[NH2+]C3 725273546 537935857 /nfs/dbraw/zinc/93/58/57/537935857.db2.gz KESFJZCTMMSJAM-UTLUCORTSA-N 1 3 166.268 0.867 10 0 ACAEHO CNC[C@@]12CC[C@@H]1C[NH2+]C2 725272829 537936221 /nfs/dbraw/zinc/93/62/21/537936221.db2.gz SJZMBMRMACIQPX-HTQZYQBOSA-N 1 3 140.230 0.205 10 0 ACAEHO CNC[C@]12CC[C@@H]1C[NH2+]C2 725272831 537936580 /nfs/dbraw/zinc/93/65/80/537936580.db2.gz SJZMBMRMACIQPX-SFYZADRCSA-N 1 3 140.230 0.205 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H](N2CCOCC2)C1 107301291 537957789 /nfs/dbraw/zinc/95/77/89/537957789.db2.gz NFSIFVGUHPYHFA-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H](N2CCOCC2)C1 107301287 537958672 /nfs/dbraw/zinc/95/86/72/537958672.db2.gz NFSIFVGUHPYHFA-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H](N2CCOCC2)C1 107301289 537959068 /nfs/dbraw/zinc/95/90/68/537959068.db2.gz NFSIFVGUHPYHFA-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H](N2CCOCC2)C1 107301286 537959782 /nfs/dbraw/zinc/95/97/82/537959782.db2.gz NFSIFVGUHPYHFA-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO CN1CCC(C)([NH+]2CCNCC2)CC1 107140955 537959763 /nfs/dbraw/zinc/95/97/63/537959763.db2.gz LUNLEVSQFJMRLR-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO CC[C@@H]([NH3+])CNCCCOC 107786029 537962752 /nfs/dbraw/zinc/96/27/52/537962752.db2.gz SLLRACYPYRIHSH-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@H]([NH3+])CNCCCOC 107786027 537963787 /nfs/dbraw/zinc/96/37/87/537963787.db2.gz SLLRACYPYRIHSH-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO C1COC2(CC[NH+](C3CC3)CC2)CN1 113630146 537968454 /nfs/dbraw/zinc/96/84/54/537968454.db2.gz AOWQMVJAPPPIOJ-UHFFFAOYSA-N 1 3 196.294 0.603 10 0 ACAEHO [NH3+]Cc1cccc2c1CNC2 117796873 537972460 /nfs/dbraw/zinc/97/24/60/537972460.db2.gz LZIUMOHMCGKXAF-UHFFFAOYSA-N 1 3 148.209 0.749 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@@H]1CN 147250529 538003517 /nfs/dbraw/zinc/00/35/17/538003517.db2.gz PDSAEJNMTLMYNJ-RQJHMYQMSA-N 1 3 128.219 0.191 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@H]1CN 147251176 538005279 /nfs/dbraw/zinc/00/52/79/538005279.db2.gz PDSAEJNMTLMYNJ-NKWVEPMBSA-N 1 3 128.219 0.191 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@@H]1CN 147250749 538005589 /nfs/dbraw/zinc/00/55/89/538005589.db2.gz PDSAEJNMTLMYNJ-BQBZGAKWSA-N 1 3 128.219 0.191 10 0 ACAEHO COC[C@H](C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 163546983 538133242 /nfs/dbraw/zinc/13/32/42/538133242.db2.gz CYETUHBVYPTYRK-GMTAPVOTSA-N 1 3 198.310 0.420 10 0 ACAEHO C[C@@H]1C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 216439835 538192044 /nfs/dbraw/zinc/19/20/44/538192044.db2.gz YFRMFDATFLWCLT-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@@H]1C[NH2+]CC12CC2 222007189 538194594 /nfs/dbraw/zinc/19/45/94/538194594.db2.gz JHPITJFKOJHNHS-SSDOTTSWSA-N 1 3 140.230 0.205 10 0 ACAEHO CNC[C@H]1C[NH2+]CC12CC2 222007240 538195319 /nfs/dbraw/zinc/19/53/19/538195319.db2.gz JHPITJFKOJHNHS-ZETCQYMHSA-N 1 3 140.230 0.205 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CCC[C@@H](N)C1 223029614 538197447 /nfs/dbraw/zinc/19/74/47/538197447.db2.gz GHRMFIUFXJYEJX-AEJSXWLSSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CCN[C@H]1CCC[C@@H]([NH3+])C1 223029614 538197451 /nfs/dbraw/zinc/19/74/51/538197451.db2.gz GHRMFIUFXJYEJX-AEJSXWLSSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 223029505 538197513 /nfs/dbraw/zinc/19/75/13/538197513.db2.gz GHRMFIUFXJYEJX-IVZWLZJFSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 223029505 538197519 /nfs/dbraw/zinc/19/75/19/538197519.db2.gz GHRMFIUFXJYEJX-IVZWLZJFSA-N 1 3 186.299 0.617 10 0 ACAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCOC2)C1 250202772 538256190 /nfs/dbraw/zinc/25/61/90/538256190.db2.gz BQKKAKNCFDYNRH-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCOC2)C1 250202772 538256199 /nfs/dbraw/zinc/25/61/99/538256199.db2.gz BQKKAKNCFDYNRH-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@H+]1CC[C@@H](CN[C@H]2CCOC2)C1 250202772 538256207 /nfs/dbraw/zinc/25/62/07/538256207.db2.gz BQKKAKNCFDYNRH-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CCN1CC[C@H](C[NH2+][C@H]2CCOC2)C1 250202768 538256633 /nfs/dbraw/zinc/25/66/33/538256633.db2.gz BQKKAKNCFDYNRH-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@@H+]1CC[C@H](CN[C@H]2CCOC2)C1 250202768 538256637 /nfs/dbraw/zinc/25/66/37/538256637.db2.gz BQKKAKNCFDYNRH-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@H+]1CC[C@H](CN[C@H]2CCOC2)C1 250202768 538256642 /nfs/dbraw/zinc/25/66/42/538256642.db2.gz BQKKAKNCFDYNRH-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO COCC[C@H](C)N1C[C@@H]2C[NH2+]C[C@H]2C1 251168002 538259939 /nfs/dbraw/zinc/25/99/39/538259939.db2.gz DHLSRUYHCLXTQM-DCAQKATOSA-N 1 3 198.310 0.563 10 0 ACAEHO COC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 253106207 538284144 /nfs/dbraw/zinc/28/41/44/538284144.db2.gz CYETUHBVYPTYRK-VWYCJHECSA-N 1 3 198.310 0.420 10 0 ACAEHO C[NH2+]C[C@H](CN)C1CCC1 258399788 538288113 /nfs/dbraw/zinc/28/81/13/538288113.db2.gz UWSKUOKVRZXHGP-QMMMGPOBSA-N 1 3 142.246 0.581 10 0 ACAEHO C[NH2+]C[C@@H](CN)C1CCC1 258399783 538288814 /nfs/dbraw/zinc/28/88/14/538288814.db2.gz UWSKUOKVRZXHGP-MRVPVSSYSA-N 1 3 142.246 0.581 10 0 ACAEHO NCC[C@@H]([NH3+])C1CCCC1 259288029 538290153 /nfs/dbraw/zinc/29/01/53/538290153.db2.gz JOFLXEZVDDAOMN-MRVPVSSYSA-N 1 3 142.246 0.853 10 0 ACAEHO C[NH2+]CC[C@@H](N)CC(C)C 259322918 538291155 /nfs/dbraw/zinc/29/11/55/538291155.db2.gz KYBKSWQJNQJDOL-MRVPVSSYSA-N 1 3 144.262 0.969 10 0 ACAEHO CNCC[C@@H]([NH3+])CC(C)C 259322918 538291157 /nfs/dbraw/zinc/29/11/57/538291157.db2.gz KYBKSWQJNQJDOL-MRVPVSSYSA-N 1 3 144.262 0.969 10 0 ACAEHO NCC[C@H]([NH3+])C1CCCC1 259288032 538291780 /nfs/dbraw/zinc/29/17/80/538291780.db2.gz JOFLXEZVDDAOMN-QMMMGPOBSA-N 1 3 142.246 0.853 10 0 ACAEHO C[NH+]1CCC(n2cnc(CN)c2)CC1 300727815 538296157 /nfs/dbraw/zinc/29/61/57/538296157.db2.gz GUYOCSWKBUMBPE-UHFFFAOYSA-N 1 3 194.282 0.609 10 0 ACAEHO FCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 379363004 538362807 /nfs/dbraw/zinc/36/28/07/538362807.db2.gz FHZOMWHAKNHERJ-NXEZZACHSA-N 1 3 186.274 0.887 10 0 ACAEHO FCCCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 379362993 538364490 /nfs/dbraw/zinc/36/44/90/538364490.db2.gz FHZOMWHAKNHERJ-AOOOYVTPSA-N 1 3 186.274 0.887 10 0 ACAEHO FCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 379363007 538365032 /nfs/dbraw/zinc/36/50/32/538365032.db2.gz FHZOMWHAKNHERJ-UWVGGRQHSA-N 1 3 186.274 0.887 10 0 ACAEHO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCN(C)C 389369922 538440943 /nfs/dbraw/zinc/44/09/43/538440943.db2.gz XDSKDPWUKQGAJJ-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H]1CN(C)C[C@H]1[NH2+]CCCN(C)C 389369920 538441123 /nfs/dbraw/zinc/44/11/23/538441123.db2.gz XDSKDPWUKQGAJJ-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@H]1CN(C)C[C@H]1[NH2+]CCCN(C)C 389369923 538441228 /nfs/dbraw/zinc/44/12/28/538441228.db2.gz XDSKDPWUKQGAJJ-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN(C)C 389369921 538441362 /nfs/dbraw/zinc/44/13/62/538441362.db2.gz XDSKDPWUKQGAJJ-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO C1CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 667594196 538442137 /nfs/dbraw/zinc/44/21/37/538442137.db2.gz KYXMULLMOWPQKF-GHMZBOCLSA-N 1 3 196.294 0.461 10 0 ACAEHO C1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 667594198 538442109 /nfs/dbraw/zinc/44/21/09/538442109.db2.gz KYXMULLMOWPQKF-QWRGUYRKSA-N 1 3 196.294 0.461 10 0 ACAEHO C1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 667594197 538442187 /nfs/dbraw/zinc/44/21/87/538442187.db2.gz KYXMULLMOWPQKF-MNOVXSKESA-N 1 3 196.294 0.461 10 0 ACAEHO C1CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 667594199 538442236 /nfs/dbraw/zinc/44/22/36/538442236.db2.gz KYXMULLMOWPQKF-WDEREUQCSA-N 1 3 196.294 0.461 10 0 ACAEHO NCc1cn(C2CC[NH2+]CC2)cn1 669374314 538442332 /nfs/dbraw/zinc/44/23/32/538442332.db2.gz GBZSGOFRNCHFQB-UHFFFAOYSA-N 1 3 180.255 0.266 10 0 ACAEHO NCc1cn([C@@H]2CCC[NH2+]C2)cn1 669375351 538442371 /nfs/dbraw/zinc/44/23/71/538442371.db2.gz YXFYHWYDRMOVBM-SECBINFHSA-N 1 3 180.255 0.266 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1n1cnc(CN)c1 669374519 538442414 /nfs/dbraw/zinc/44/24/14/538442414.db2.gz IPPHWQGHUBTQHZ-IONNQARKSA-N 1 3 180.255 0.122 10 0 ACAEHO NCc1cn([C@H]2CCC[NH2+]C2)cn1 669375352 538442493 /nfs/dbraw/zinc/44/24/93/538442493.db2.gz YXFYHWYDRMOVBM-VIFPVBQESA-N 1 3 180.255 0.266 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1n1cnc(CN)c1 669374518 538442613 /nfs/dbraw/zinc/44/26/13/538442613.db2.gz IPPHWQGHUBTQHZ-CBAPKCEASA-N 1 3 180.255 0.122 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1n1cnc(CN)c1 669374520 538442631 /nfs/dbraw/zinc/44/26/31/538442631.db2.gz IPPHWQGHUBTQHZ-VXNVDRBHSA-N 1 3 180.255 0.122 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1n1cnc(CN)c1 669374516 538442751 /nfs/dbraw/zinc/44/27/51/538442751.db2.gz IPPHWQGHUBTQHZ-APPZFPTMSA-N 1 3 180.255 0.122 10 0 ACAEHO CCN(C)Cc1cncc(C[NH3+])c1 669378929 538445298 /nfs/dbraw/zinc/44/52/98/538445298.db2.gz OURHKAAIQXBXQS-UHFFFAOYSA-N 1 3 179.267 0.992 10 0 ACAEHO CN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 669382128 538445708 /nfs/dbraw/zinc/44/57/08/538445708.db2.gz GYKTTXNLHOHODJ-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO CN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 669382121 538445723 /nfs/dbraw/zinc/44/57/23/538445723.db2.gz GYKTTXNLHOHODJ-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO CN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 669382131 538445918 /nfs/dbraw/zinc/44/59/18/538445918.db2.gz GYKTTXNLHOHODJ-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO CN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 669382133 538445960 /nfs/dbraw/zinc/44/59/60/538445960.db2.gz GYKTTXNLHOHODJ-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO [NH3+]CCc1ncc(CNC2CC2)s1 675051050 538447698 /nfs/dbraw/zinc/44/76/98/538447698.db2.gz HPSALVNACVMJTB-UHFFFAOYSA-N 1 3 197.307 0.896 10 0 ACAEHO [NH3+][C@H]1CC2(CNC2)Oc2ccccc21 669385074 538447087 /nfs/dbraw/zinc/44/70/87/538447087.db2.gz WOTSDUOMQJFXNB-VIFPVBQESA-N 1 3 190.246 0.811 10 0 ACAEHO NCc1cnc(CC[NH3+])s1 675051299 538447421 /nfs/dbraw/zinc/44/74/21/538447421.db2.gz PHVHLIGQPAQMKG-UHFFFAOYSA-N 1 3 157.242 0.103 10 0 ACAEHO CNCc1cnc(CC[NH3+])s1 675051302 538447673 /nfs/dbraw/zinc/44/76/73/538447673.db2.gz PPVVWKPQBHTDMR-UHFFFAOYSA-N 1 3 171.269 0.364 10 0 ACAEHO CCNCc1cnc(CC[NH3+])s1 675051038 538447758 /nfs/dbraw/zinc/44/77/58/538447758.db2.gz GSIGXSJNYOQUHB-UHFFFAOYSA-N 1 3 185.296 0.754 10 0 ACAEHO CCN1CCN(C[C@H]2C[C@H]([NH3+])C2)CC1 675054502 538448972 /nfs/dbraw/zinc/44/89/72/538448972.db2.gz VVNBOGKXOXUZLA-XYPYZODXSA-N 1 3 197.326 0.361 10 0 ACAEHO CC(C)CN1CCN(CC[NH3+])CC1 19933470 541301141 /nfs/dbraw/zinc/30/11/41/541301141.db2.gz TXEIWRZSXRAGMY-UHFFFAOYSA-N 1 3 185.315 0.219 10 0 ACAEHO CCNC[C@]12CC[C@H]1C[NH2+]C2 219257995 541317835 /nfs/dbraw/zinc/31/78/35/541317835.db2.gz ANOVQIYHEGPFPU-IUCAKERBSA-N 1 3 154.257 0.596 10 0 ACAEHO CCNC[C@]12CC[C@@H]1C[NH2+]C2 219257890 541317934 /nfs/dbraw/zinc/31/79/34/541317934.db2.gz ANOVQIYHEGPFPU-BDAKNGLRSA-N 1 3 154.257 0.596 10 0 ACAEHO CCNC[C@@]12CC[C@H]1C[NH2+]C2 219257940 541317976 /nfs/dbraw/zinc/31/79/76/541317976.db2.gz ANOVQIYHEGPFPU-DTWKUNHWSA-N 1 3 154.257 0.596 10 0 ACAEHO CCNC[C@@]12CC[C@@H]1C[NH2+]C2 219257835 541318401 /nfs/dbraw/zinc/31/84/01/541318401.db2.gz ANOVQIYHEGPFPU-RKDXNWHRSA-N 1 3 154.257 0.596 10 0 ACAEHO CC[NH+](CC)CCn1ccnc1N 233449936 541322510 /nfs/dbraw/zinc/32/25/10/541322510.db2.gz RLOHWQUGXRIBMA-UHFFFAOYSA-N 1 3 182.271 0.807 10 0 ACAEHO C[N@@H+]1CCC[C@H](Cn2ccnc2N)C1 234351346 541325081 /nfs/dbraw/zinc/32/50/81/541325081.db2.gz VPPROWZNDLASOL-VIFPVBQESA-N 1 3 194.282 0.807 10 0 ACAEHO C[N@H+]1CCC[C@H](Cn2ccnc2N)C1 234351346 541325083 /nfs/dbraw/zinc/32/50/83/541325083.db2.gz VPPROWZNDLASOL-VIFPVBQESA-N 1 3 194.282 0.807 10 0 ACAEHO C[N@@H+]1CCC[C@@H](Cn2ccnc2N)C1 234347299 541325323 /nfs/dbraw/zinc/32/53/23/541325323.db2.gz VPPROWZNDLASOL-SECBINFHSA-N 1 3 194.282 0.807 10 0 ACAEHO C[N@H+]1CCC[C@@H](Cn2ccnc2N)C1 234347299 541325327 /nfs/dbraw/zinc/32/53/27/541325327.db2.gz VPPROWZNDLASOL-SECBINFHSA-N 1 3 194.282 0.807 10 0 ACAEHO CCCN1CC[C@H]([NH3+])C12CCOCC2 606274483 541347385 /nfs/dbraw/zinc/34/73/85/541347385.db2.gz GFPRBHHJWMNRPM-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CCN1CC[C@H]([NH3+])C12CCOCC2 606259769 541347226 /nfs/dbraw/zinc/34/72/26/541347226.db2.gz LJPNHJYDKLWSBS-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO CCCN1CC[C@@H]([NH3+])C12CCOCC2 606274484 541347298 /nfs/dbraw/zinc/34/72/98/541347298.db2.gz GFPRBHHJWMNRPM-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CCN1CC[C@@H]([NH3+])C12CCOCC2 606259768 541347338 /nfs/dbraw/zinc/34/73/38/541347338.db2.gz LJPNHJYDKLWSBS-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO NCCC12CCC(CC1)[NH2+]2 669379923 541348920 /nfs/dbraw/zinc/34/89/20/541348920.db2.gz MTUYCSAOAQPPGI-UHFFFAOYSA-N 1 3 140.230 0.620 10 0 ACAEHO C[C@H]1CCN(CCCO)C[C@@H]1C[NH3+] 163865654 757004036 /nfs/dbraw/zinc/00/40/36/757004036.db2.gz IQVPVUKXOVAROV-UWVGGRQHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H]1CCN(CCCO)C[C@@H]1C[NH3+] 163865536 757008240 /nfs/dbraw/zinc/00/82/40/757008240.db2.gz IQVPVUKXOVAROV-ZJUUUORDSA-N 1 3 186.299 0.286 10 0 ACAEHO OC1(CC[NH2+][C@@H]2CCCCNC2)CC1 214118533 571716458 /nfs/dbraw/zinc/71/64/58/571716458.db2.gz IFDDZLSQYQIZNE-SNVBAGLBSA-N 1 3 198.310 0.633 10 0 ACAEHO [NH3+]CC1CCN(Cc2cn[nH]c2)CC1 306516259 757067579 /nfs/dbraw/zinc/06/75/79/757067579.db2.gz XOSLYVVIJZJJTQ-UHFFFAOYSA-N 1 3 194.282 0.580 10 0 ACAEHO CN1CC(CNc2cccc(N)[nH+]2)C1 306753725 757074141 /nfs/dbraw/zinc/07/41/41/757074141.db2.gz MHKMLKDIBUEYCO-UHFFFAOYSA-N 1 3 192.266 0.637 10 0 ACAEHO CC[N@@H+]1CC[C@H](n2cnc(CN)c2)C1 306775482 757074678 /nfs/dbraw/zinc/07/46/78/757074678.db2.gz WWMZEVCWTNVVMW-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO CC[N@H+]1CC[C@H](n2cnc(CN)c2)C1 306775482 757074694 /nfs/dbraw/zinc/07/46/94/757074694.db2.gz WWMZEVCWTNVVMW-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO C[C@H]1CNCCC[N@@H+]1CCCO 306765241 757075532 /nfs/dbraw/zinc/07/55/32/757075532.db2.gz ZTGPAIJHIIGQDS-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H]1CNCCC[N@H+]1CCCO 306765241 757075538 /nfs/dbraw/zinc/07/55/38/757075538.db2.gz ZTGPAIJHIIGQDS-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC[N@@H+]1CC[C@@H](n2cnc(CN)c2)C1 306775483 757075736 /nfs/dbraw/zinc/07/57/36/757075736.db2.gz WWMZEVCWTNVVMW-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO CC[N@H+]1CC[C@@H](n2cnc(CN)c2)C1 306775483 757075746 /nfs/dbraw/zinc/07/57/46/757075746.db2.gz WWMZEVCWTNVVMW-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO C[C@H](CN(C)C)NC[C@H]1CCCC[NH2+]1 235439520 571903981 /nfs/dbraw/zinc/90/39/81/571903981.db2.gz UDIFFTJLVAGEKC-GHMZBOCLSA-N 1 3 199.342 0.668 10 0 ACAEHO CN1CCC(NC[C@@H]2CCC[NH2+]2)CC1 234309714 571954274 /nfs/dbraw/zinc/95/42/74/571954274.db2.gz HJYVCXHIQGHMOT-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1CC1CCOCC1 307017394 757084449 /nfs/dbraw/zinc/08/44/49/757084449.db2.gz ANENDYYCTSFATQ-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO COCC[NH2+]CC(C)(C)CN 116322192 571713921 /nfs/dbraw/zinc/71/39/21/571713921.db2.gz NWRGHZUHOBASIB-UHFFFAOYSA-N 1 3 160.261 0.207 10 0 ACAEHO COCCNCC(C)(C)C[NH3+] 116322192 571713925 /nfs/dbraw/zinc/71/39/25/571713925.db2.gz NWRGHZUHOBASIB-UHFFFAOYSA-N 1 3 160.261 0.207 10 0 ACAEHO CO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C 234829193 571971598 /nfs/dbraw/zinc/97/15/98/571971598.db2.gz JOZFSVNPXZKQPV-RKDXNWHRSA-N 1 3 198.310 0.881 10 0 ACAEHO CN(C)C1CN(c2cc(N)cc[nH+]2)C1 307599547 757094979 /nfs/dbraw/zinc/09/49/79/757094979.db2.gz QDTHFNOCIXDSLM-UHFFFAOYSA-N 1 3 192.266 0.414 10 0 ACAEHO CN1CC(CNc2cc(N)cc[nH+]2)C1 307598440 757095084 /nfs/dbraw/zinc/09/50/84/757095084.db2.gz PKBXEUPIOWOAQP-UHFFFAOYSA-N 1 3 192.266 0.637 10 0 ACAEHO COC1CC([NH2+]CC2(CN)CC2)C1 234679411 571875852 /nfs/dbraw/zinc/87/58/52/571875852.db2.gz HKGDZYSRBAWHAO-UHFFFAOYSA-N 1 3 184.283 0.492 10 0 ACAEHO COC1CC(NCC2(C[NH3+])CC2)C1 234679411 571875854 /nfs/dbraw/zinc/87/58/54/571875854.db2.gz HKGDZYSRBAWHAO-UHFFFAOYSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H](CN(C)C)NC[C@H]1CCC[NH2+]1 235439590 571903603 /nfs/dbraw/zinc/90/36/03/571903603.db2.gz CJOODKIUICJVCM-NXEZZACHSA-N 1 3 185.315 0.278 10 0 ACAEHO CC(C)[C@@H](O)CN(C)[C@@H](C)CC[NH3+] 300880785 572003760 /nfs/dbraw/zinc/00/37/60/572003760.db2.gz MTDXXQOLJVSBHM-UWVGGRQHSA-N 1 3 188.315 0.672 10 0 ACAEHO CN(C)C/C=C1/CC[NH2+]C1 687677882 571910226 /nfs/dbraw/zinc/91/02/26/571910226.db2.gz IMYSHOPNVPHOKE-YWEYNIOJSA-N 1 3 140.230 0.468 10 0 ACAEHO C[C@@]1([NH2+]CC2(CN)CC2)CCCOC1 235445069 571910301 /nfs/dbraw/zinc/91/03/01/571910301.db2.gz APJBJIXFBGRVOV-SNVBAGLBSA-N 1 3 198.310 0.884 10 0 ACAEHO COC[C@H]1CC[N@@H+]([C@H](C)CCN)C1 81042551 571970755 /nfs/dbraw/zinc/97/07/55/571970755.db2.gz YNLRMXADORICRN-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@H]1CC[N@H+]([C@H](C)CCN)C1 81042551 571970756 /nfs/dbraw/zinc/97/07/56/571970756.db2.gz YNLRMXADORICRN-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C 234830153 571970800 /nfs/dbraw/zinc/97/08/00/571970800.db2.gz KPPJSHIVYQARBC-NXEZZACHSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C 234830153 571970802 /nfs/dbraw/zinc/97/08/02/571970802.db2.gz KPPJSHIVYQARBC-NXEZZACHSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@@H]1CCN(CC(C)(C)C[NH3+])C1 234822901 571971642 /nfs/dbraw/zinc/97/16/42/571971642.db2.gz HXIRBWOLXYEYOM-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CC[N@H+](CC(C)(C)CN)C1 234822901 571971643 /nfs/dbraw/zinc/97/16/43/571971643.db2.gz HXIRBWOLXYEYOM-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CC[N@@H+](CC(C)(C)CN)C1 234822901 571971645 /nfs/dbraw/zinc/97/16/45/571971645.db2.gz HXIRBWOLXYEYOM-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC(C)[NH2+]CCN1CCN(C)[C@H](C)C1 82477849 572038281 /nfs/dbraw/zinc/03/82/81/572038281.db2.gz CXWXXYNOTGBJDP-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO CO[C@@H]1CCN([C@@H](C)CC[NH3+])C1 234838315 571974266 /nfs/dbraw/zinc/97/42/66/571974266.db2.gz PBJAIPOMYHGNNV-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@H]1CCC[C@@H]1N1CCC[C@@H]1C[NH3+] 404172815 571979987 /nfs/dbraw/zinc/97/99/87/571979987.db2.gz PXRRDRBLWSNHGA-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@@H](CO)C1 36227299 572045935 /nfs/dbraw/zinc/04/59/35/572045935.db2.gz MSJXOWZKTRNCTN-MRVPVSSYSA-N 1 3 185.271 0.017 10 0 ACAEHO CC1(C)CN(CCCC(N)=[NH2+])CCO1 36232617 572047178 /nfs/dbraw/zinc/04/71/78/572047178.db2.gz OVIYNMFIIIWLSO-UHFFFAOYSA-N 1 3 199.298 0.813 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])[C@H]1CCOC1 167841906 571986557 /nfs/dbraw/zinc/98/65/57/571986557.db2.gz SODQVMMZCMKWHO-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN1CCN(C)[C@@H](CC[NH2+]C)C1 250215968 572053112 /nfs/dbraw/zinc/05/31/12/572053112.db2.gz DEQCBEQUYCHTAK-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CN(C)CCN(C)C[C@@H]1CCCC[NH2+]1 82541677 572053348 /nfs/dbraw/zinc/05/33/48/572053348.db2.gz CCLHRFLHEOCMCD-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H](CC[NH3+])NC[C@@H](C)n1cccn1 235086348 572054323 /nfs/dbraw/zinc/05/43/23/572054323.db2.gz ADIUDNXHVPYTBJ-VHSXEESVSA-N 1 3 196.298 0.771 10 0 ACAEHO NC/C(Cl)=C/C[NH3+] 13858990 571992961 /nfs/dbraw/zinc/99/29/61/571992961.db2.gz WBZAUALWKYDLKI-RJRFIUFISA-N 1 3 120.583 0.027 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@@]2(CCN(C)C2)O1 686232663 571993297 /nfs/dbraw/zinc/99/32/97/571993297.db2.gz FMPYGXMKOVQDTB-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@]2(CCN(C)C2)O1 686232662 571994197 /nfs/dbraw/zinc/99/41/97/571994197.db2.gz FMPYGXMKOVQDTB-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO CN(CCOC1CC[NH2+]CC1)C1CC1 82666184 572079258 /nfs/dbraw/zinc/07/92/58/572079258.db2.gz MVYPTIRYJVKKIV-UHFFFAOYSA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+]CC[C@H](C)N1CCN(C)C[C@@H]1C 234385398 571995431 /nfs/dbraw/zinc/99/54/31/571995431.db2.gz CPQSJFBWNYIYJZ-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[N@H+](CCN)[C@H]1CCN(C)[C@@H](C)C1 300865577 571995434 /nfs/dbraw/zinc/99/54/34/571995434.db2.gz WEEZWXXRLNEVKM-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@@H+](CCN)[C@H]1CCN(C)[C@@H](C)C1 300865577 571995437 /nfs/dbraw/zinc/99/54/37/571995437.db2.gz WEEZWXXRLNEVKM-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H](C)N(CC)C[C@H](O)C[NH2+]C 37112867 572096891 /nfs/dbraw/zinc/09/68/91/572096891.db2.gz GUKWVDSYHFRITN-NXEZZACHSA-N 1 3 188.315 0.687 10 0 ACAEHO C[C@H](CCO)N[C@H]1C[C@H]([NH3+])C12CCC2 405255399 757197321 /nfs/dbraw/zinc/19/73/21/757197321.db2.gz KHWXGXVFPPUNQN-UTLUCORTSA-N 1 3 198.310 0.617 10 0 ACAEHO COC[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 405326430 757197392 /nfs/dbraw/zinc/19/73/92/757197392.db2.gz UNQWRGJRIMWXSG-GUBZILKMSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 405326430 757197405 /nfs/dbraw/zinc/19/74/05/757197405.db2.gz UNQWRGJRIMWXSG-GUBZILKMSA-N 1 3 198.310 0.881 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CC[C@@H](OC)C1 234388342 571998330 /nfs/dbraw/zinc/99/83/30/571998330.db2.gz JOHNWIFXYBXFCQ-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO COCCN[C@@H]1C[C@H]([NH3+])C12CCC2 405447548 757197721 /nfs/dbraw/zinc/19/77/21/757197721.db2.gz WYGSFZRAWWYPEC-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO COC[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 405326429 757198658 /nfs/dbraw/zinc/19/86/58/757198658.db2.gz UNQWRGJRIMWXSG-AEJSXWLSSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 405326429 757198667 /nfs/dbraw/zinc/19/86/67/757198667.db2.gz UNQWRGJRIMWXSG-AEJSXWLSSA-N 1 3 198.310 0.881 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 405262227 757199112 /nfs/dbraw/zinc/19/91/12/757199112.db2.gz NRSYXZFUHIDVEX-IVZWLZJFSA-N 1 3 198.310 0.617 10 0 ACAEHO C[C@@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 405402723 757199612 /nfs/dbraw/zinc/19/96/12/757199612.db2.gz KQEPNOQQVANQCD-HRDYMLBCSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 405402723 757199642 /nfs/dbraw/zinc/19/96/42/757199642.db2.gz KQEPNOQQVANQCD-HRDYMLBCSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 405402729 757199900 /nfs/dbraw/zinc/19/99/00/757199900.db2.gz KQEPNOQQVANQCD-YIZRAAEISA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 405402729 757199920 /nfs/dbraw/zinc/19/99/20/757199920.db2.gz KQEPNOQQVANQCD-YIZRAAEISA-N 1 3 184.283 0.227 10 0 ACAEHO CO[C@H](C)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 405267911 757200288 /nfs/dbraw/zinc/20/02/88/757200288.db2.gz QIHOPGPNNVLHNN-OPRDCNLKSA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@H](C)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405267911 757200273 /nfs/dbraw/zinc/20/02/73/757200273.db2.gz QIHOPGPNNVLHNN-OPRDCNLKSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405402725 757208612 /nfs/dbraw/zinc/20/86/12/757208612.db2.gz KQEPNOQQVANQCD-IWSPIJDZSA-N 1 3 184.283 0.227 10 0 ACAEHO COC[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 405326433 757201394 /nfs/dbraw/zinc/20/13/94/757201394.db2.gz UNQWRGJRIMWXSG-LPEHRKFASA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 405326433 757201407 /nfs/dbraw/zinc/20/14/07/757201407.db2.gz UNQWRGJRIMWXSG-LPEHRKFASA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H](CO)N[C@@H]1C[C@H]([NH3+])C12CCC2 405440082 757201551 /nfs/dbraw/zinc/20/15/51/757201551.db2.gz VKETVQFITDIXDH-HRDYMLBCSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 405440082 757201564 /nfs/dbraw/zinc/20/15/64/757201564.db2.gz VKETVQFITDIXDH-HRDYMLBCSA-N 1 3 184.283 0.227 10 0 ACAEHO CCOCCN[C@H]1C[C@@H]([NH3+])C12CCC2 405295670 757201778 /nfs/dbraw/zinc/20/17/78/757201778.db2.gz GEYYXOLAUYBYCC-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 405402727 757202724 /nfs/dbraw/zinc/20/27/24/757202724.db2.gz KQEPNOQQVANQCD-XHNCKOQMSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 405402727 757202745 /nfs/dbraw/zinc/20/27/45/757202745.db2.gz KQEPNOQQVANQCD-XHNCKOQMSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCOC2)C12CCC2 405224671 757203030 /nfs/dbraw/zinc/20/30/30/757203030.db2.gz CKGZORUORXVXNK-BBBLOLIVSA-N 1 3 196.294 0.635 10 0 ACAEHO C[C@H](CO)N[C@H]1C[C@@H]([NH3+])C12CCC2 405440075 757203140 /nfs/dbraw/zinc/20/31/40/757203140.db2.gz VKETVQFITDIXDH-HLTSFMKQSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 405440075 757203147 /nfs/dbraw/zinc/20/31/47/757203147.db2.gz VKETVQFITDIXDH-HLTSFMKQSA-N 1 3 184.283 0.227 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 405262224 757203276 /nfs/dbraw/zinc/20/32/76/757203276.db2.gz NRSYXZFUHIDVEX-AEJSXWLSSA-N 1 3 198.310 0.617 10 0 ACAEHO C[C@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 405402718 757203460 /nfs/dbraw/zinc/20/34/60/757203460.db2.gz KQEPNOQQVANQCD-CIUDSAMLSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 405402718 757203483 /nfs/dbraw/zinc/20/34/83/757203483.db2.gz KQEPNOQQVANQCD-CIUDSAMLSA-N 1 3 184.283 0.227 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 405262229 757203550 /nfs/dbraw/zinc/20/35/50/757203550.db2.gz NRSYXZFUHIDVEX-LPEHRKFASA-N 1 3 198.310 0.617 10 0 ACAEHO CCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 405295664 757203637 /nfs/dbraw/zinc/20/36/37/757203637.db2.gz GEYYXOLAUYBYCC-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO NC1CC([NH2+]C[C@]23COC[C@H]2C3)C1 689259363 572001511 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C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405402719 757210645 /nfs/dbraw/zinc/21/06/45/757210645.db2.gz KQEPNOQQVANQCD-DJLDLDEBSA-N 1 3 184.283 0.227 10 0 ACAEHO CC[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 405262228 757210736 /nfs/dbraw/zinc/21/07/36/757210736.db2.gz NRSYXZFUHIDVEX-KXUCPTDWSA-N 1 3 198.310 0.617 10 0 ACAEHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 405402721 757211080 /nfs/dbraw/zinc/21/10/80/757211080.db2.gz KQEPNOQQVANQCD-HLTSFMKQSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 405402721 757211099 /nfs/dbraw/zinc/21/10/99/757211099.db2.gz KQEPNOQQVANQCD-HLTSFMKQSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 405402726 757211306 /nfs/dbraw/zinc/21/13/06/757211306.db2.gz KQEPNOQQVANQCD-VGMNWLOBSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 405402726 757211316 /nfs/dbraw/zinc/21/13/16/757211316.db2.gz KQEPNOQQVANQCD-VGMNWLOBSA-N 1 3 184.283 0.227 10 0 ACAEHO COCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 405447553 757211507 /nfs/dbraw/zinc/21/15/07/757211507.db2.gz WYGSFZRAWWYPEC-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC[C@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 405262225 757212073 /nfs/dbraw/zinc/21/20/73/757212073.db2.gz NRSYXZFUHIDVEX-BBBLOLIVSA-N 1 3 198.310 0.617 10 0 ACAEHO CCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 405295668 757212175 /nfs/dbraw/zinc/21/21/75/757212175.db2.gz GEYYXOLAUYBYCC-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](CO)N[C@@H]1C[C@@H]([NH3+])C12CCC2 405440089 757212433 /nfs/dbraw/zinc/21/24/33/757212433.db2.gz VKETVQFITDIXDH-IWSPIJDZSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 405440089 757212436 /nfs/dbraw/zinc/21/24/36/757212436.db2.gz VKETVQFITDIXDH-IWSPIJDZSA-N 1 3 184.283 0.227 10 0 ACAEHO COC[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 405326432 757212460 /nfs/dbraw/zinc/21/24/60/757212460.db2.gz UNQWRGJRIMWXSG-IVZWLZJFSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 405326432 757212461 /nfs/dbraw/zinc/21/24/61/757212461.db2.gz UNQWRGJRIMWXSG-IVZWLZJFSA-N 1 3 198.310 0.881 10 0 ACAEHO C[NH2+]CC[C@@H]1CN(C)C(C)(C)CN1C 219812173 572113458 /nfs/dbraw/zinc/11/34/58/572113458.db2.gz NFYFTBAGSOPNND-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO [NH3+][C@H](CCO)CN1CC[C@@H]2CCC[C@H]21 393451659 572005987 /nfs/dbraw/zinc/00/59/87/572005987.db2.gz FWFPTBIJEMJDMF-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO CCN1CCN(C2CC([NH2+]C)C2)CC1 219634897 572006375 /nfs/dbraw/zinc/00/63/75/572006375.db2.gz QBMBHGXUGJUKGJ-UHFFFAOYSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@]1(N)CC[N@H+](CCCCCO)C1 405799732 757221534 /nfs/dbraw/zinc/22/15/34/757221534.db2.gz OYFCWEBESHGQKZ-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@@]1(N)CC[N@@H+](CCCCCO)C1 405799732 757221549 /nfs/dbraw/zinc/22/15/49/757221549.db2.gz OYFCWEBESHGQKZ-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO CNC[C@H]1C[N@@H+](C(C)C)C[C@@H](C)N1C 219813816 572113504 /nfs/dbraw/zinc/11/35/04/572113504.db2.gz OERZNNMOEHRCSU-MNOVXSKESA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@H]1C[N@H+](C(C)C)C[C@@H](C)N1C 219813816 572113506 /nfs/dbraw/zinc/11/35/06/572113506.db2.gz OERZNNMOEHRCSU-MNOVXSKESA-N 1 3 199.342 0.619 10 0 ACAEHO COCCCC[N@@H+]1CC[C@](C)(N)C1 405799053 757223324 /nfs/dbraw/zinc/22/33/24/757223324.db2.gz OVQYELSFFDWPSE-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO COCCCC[N@H+]1CC[C@](C)(N)C1 405799053 757223336 /nfs/dbraw/zinc/22/33/36/757223336.db2.gz OVQYELSFFDWPSE-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO COCCCC[N@@H+]1CC[C@@](C)(N)C1 405799054 757227116 /nfs/dbraw/zinc/22/71/16/757227116.db2.gz OVQYELSFFDWPSE-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO COCCCC[N@H+]1CC[C@@](C)(N)C1 405799054 757227149 /nfs/dbraw/zinc/22/71/49/757227149.db2.gz OVQYELSFFDWPSE-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@]1(N)CC[N@H+](CCCCCO)C1 405799730 757232663 /nfs/dbraw/zinc/23/26/63/757232663.db2.gz OYFCWEBESHGQKZ-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO COCCN(C)[C@@H](C)C[C@H](C)[NH3+] 82801724 572116648 /nfs/dbraw/zinc/11/66/48/572116648.db2.gz VFUVYZZNPMXVOL-IUCAKERBSA-N 1 3 174.288 0.690 10 0 ACAEHO CO[C@H](CN)C[N@H+]1CC[C@H](C)C1 300379143 572139521 /nfs/dbraw/zinc/13/95/21/572139521.db2.gz XHPOBNVSCASHTA-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@H]([NH3+])CCN(C)[C@H]1CCCOC1 300230944 572012569 /nfs/dbraw/zinc/01/25/69/572012569.db2.gz FLNBFEHFPIDRQS-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@]1(N)CC[N@@H+](CCCCCO)C1 405799730 757232689 /nfs/dbraw/zinc/23/26/89/757232689.db2.gz OYFCWEBESHGQKZ-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO C[NH2+][C@@H](CO)CCN(C)CC1CC1 82887222 572139810 /nfs/dbraw/zinc/13/98/10/572139810.db2.gz PCRCPFMQEPRQLK-SNVBAGLBSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@@H]1C[C@H]1NC[C@H](C[NH3+])OC 300379171 572139812 /nfs/dbraw/zinc/13/98/12/572139812.db2.gz XYRSQSCLHWGSHV-HRDYMLBCSA-N 1 3 172.272 0.348 10 0 ACAEHO CCN1CCN(C[C@@H](C)[NH2+]C)[C@@H](C)C1 250204529 572016423 /nfs/dbraw/zinc/01/64/23/572016423.db2.gz BUGBOWZLGUAXJM-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]CC[C@@H]1CNCCO1 300379342 572139828 /nfs/dbraw/zinc/13/98/28/572139828.db2.gz HEGLANXGAQAXIK-MXWKQRLJSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H](C[NH3+])CN1CCC[C@H](C)C1 300375882 572141510 /nfs/dbraw/zinc/14/15/10/572141510.db2.gz HFUWPZJKTRAEIM-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CCN(CC)[C@H](C)C[C@](C)([NH3+])CO 82888137 572141515 /nfs/dbraw/zinc/14/15/15/572141515.db2.gz QXKFMVHOGAWSTG-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H](O)C1 42470196 572020257 /nfs/dbraw/zinc/02/02/57/572020257.db2.gz FDFQXQZWJOVPSC-HBNTYKKESA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@H+]1CCC[C@H](O)C1 42470196 572020260 /nfs/dbraw/zinc/02/02/60/572020260.db2.gz FDFQXQZWJOVPSC-HBNTYKKESA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCC[C@H](O)C1 42468743 572020270 /nfs/dbraw/zinc/02/02/70/572020270.db2.gz AJLQOMVVUCKWAA-YUMQZZPRSA-N 1 3 185.271 0.158 10 0 ACAEHO CN(C)CCN1CCCC[C@@H]1CC[NH3+] 82383538 572023428 /nfs/dbraw/zinc/02/34/28/572023428.db2.gz RDVBNVCPUMGTGJ-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[NH2+]CCCN1CCN(C)[C@H](C)C1 82477827 572039447 /nfs/dbraw/zinc/03/94/47/572039447.db2.gz LXVOIKNURORSAT-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[NH2+]C[C@H](C)N1CCN(C)[C@H](C)C1 82485049 572039467 /nfs/dbraw/zinc/03/94/67/572039467.db2.gz NIMSMURDZVCOEH-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCN(C)[C@H](C)C1 82477459 572039811 /nfs/dbraw/zinc/03/98/11/572039811.db2.gz RROJDQPZFWVNPB-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H]1CN(C[C@@H](C)[NH2+]C)CCN1C 82477951 572039854 /nfs/dbraw/zinc/03/98/54/572039854.db2.gz CQSYWDAXZWWMDR-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H]1CN(CCCCC[NH3+])CCN1C 82477449 572039858 /nfs/dbraw/zinc/03/98/58/572039858.db2.gz HGKNQHXQXGMASH-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]CCCCCO)C1 229109196 572041156 /nfs/dbraw/zinc/04/11/56/572041156.db2.gz SJFSFYHTKPUAEJ-ZJUUUORDSA-N 1 3 186.299 0.618 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1CNC[C@@H]1CCCO1 82560561 572048434 /nfs/dbraw/zinc/04/84/34/572048434.db2.gz ALHTZEACCQVVQN-AXFHLTTASA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H](C[NH2+]C1CC1)N(C)CCN(C)C 82543711 572048451 /nfs/dbraw/zinc/04/84/51/572048451.db2.gz OVYOYEHOQOBFKE-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1CN(C)CCN(C)C 82560956 572050045 /nfs/dbraw/zinc/05/00/45/572050045.db2.gz VXVPAZPTQJQOOD-WDEREUQCSA-N 1 3 199.342 0.335 10 0 ACAEHO CCCNC[C@@H]1CC[NH2+]C1 34070477 572051409 /nfs/dbraw/zinc/05/14/09/572051409.db2.gz KYOLWTXOYMKDRP-QMMMGPOBSA-N 1 3 142.246 0.596 10 0 ACAEHO CN(C)CCN(C)CC[NH2+]CC1CC1 82542632 572055579 /nfs/dbraw/zinc/05/55/79/572055579.db2.gz MEUGDGMPSYEEIT-UHFFFAOYSA-N 1 3 199.342 0.479 10 0 ACAEHO C[C@H](O)[C@H](C)N(C)CCC[NH+](C)C 82543217 572055643 /nfs/dbraw/zinc/05/56/43/572055643.db2.gz FIRCFNNGGHKRNN-UWVGGRQHSA-N 1 3 188.315 0.639 10 0 ACAEHO [NH3+]C[C@H](NC1CC1)[C@H]1CCCOC1 82581396 572062477 /nfs/dbraw/zinc/06/24/77/572062477.db2.gz HNITUJRNZKMOJB-WPRPVWTQSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H](O)CN1CC[NH2+]CCC1(C)C 642849887 757276375 /nfs/dbraw/zinc/27/63/75/757276375.db2.gz ADKVIGBQUJKXME-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1C[C@@H]1CN(C)CCC(N)=[NH2+] 82648770 572067846 /nfs/dbraw/zinc/06/78/46/572067846.db2.gz STYIKCRYEIMYTG-JGVFFNPUSA-N 1 3 169.272 0.900 10 0 ACAEHO CCC[C@@H](C)N(C)C[C@H](O)C[NH2+]C 36790406 572069390 /nfs/dbraw/zinc/06/93/90/572069390.db2.gz PVLGSGJVWPQBFZ-NXEZZACHSA-N 1 3 188.315 0.687 10 0 ACAEHO OCC[N@@H+]1CCNCCC12CCC2 642873444 757281435 /nfs/dbraw/zinc/28/14/35/757281435.db2.gz CNICGMXZIVSNNE-UHFFFAOYSA-N 1 3 184.283 0.197 10 0 ACAEHO OCC[N@H+]1CCNCCC12CCC2 642873444 757281450 /nfs/dbraw/zinc/28/14/50/757281450.db2.gz CNICGMXZIVSNNE-UHFFFAOYSA-N 1 3 184.283 0.197 10 0 ACAEHO CC[C@H]1[C@@H]([NH3+])CCN1CC 22943665 572083960 /nfs/dbraw/zinc/08/39/60/572083960.db2.gz BNOYCDQDTWFSTL-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO N[C@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 82922494 572173705 /nfs/dbraw/zinc/17/37/05/572173705.db2.gz WOWNEZAVKYWYNJ-AXFHLTTASA-N 1 3 198.310 0.740 10 0 ACAEHO CCCN(C[C@H](O)C[NH2+]C)C(C)C 37095974 572088597 /nfs/dbraw/zinc/08/85/97/572088597.db2.gz WGZISXMNOAGTNA-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CCC[N@H+](CC)C[C@H](O)CNC 37094860 572088673 /nfs/dbraw/zinc/08/86/73/572088673.db2.gz NFIGCLBHTPLCIF-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CCC[N@@H+](CC)C[C@H](O)CNC 37094860 572088675 /nfs/dbraw/zinc/08/86/75/572088675.db2.gz NFIGCLBHTPLCIF-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CCCN(CC)C[C@H](O)C[NH2+]C 37094860 572088677 /nfs/dbraw/zinc/08/86/77/572088677.db2.gz NFIGCLBHTPLCIF-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CCC[N@@H+](C)C1(CN)CCN(C)CC1 37098121 572092595 /nfs/dbraw/zinc/09/25/95/572092595.db2.gz HYLJRVSVMPKWDN-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN[C@H](C)[C@@H](O)C[NH2+]C1CC1 84994319 572094959 /nfs/dbraw/zinc/09/49/59/572094959.db2.gz DPUXNDKXCIWXNS-APPZFPTMSA-N 1 3 172.272 0.097 10 0 ACAEHO C[NH2+]CC[C@@](C)(O)c1cnccc1N 84997607 572094966 /nfs/dbraw/zinc/09/49/66/572094966.db2.gz DIQKDXYNBQJCIH-SNVBAGLBSA-N 1 3 195.266 0.481 10 0 ACAEHO CCC[NH2+]C[C@H](O)[C@H](C)NCC 84993313 572094999 /nfs/dbraw/zinc/09/49/99/572094999.db2.gz YQYPFQWYCSUYAO-IUCAKERBSA-N 1 3 174.288 0.345 10 0 ACAEHO CCCNC[C@H](O)[C@H](C)[NH2+]CC 84993313 572095004 /nfs/dbraw/zinc/09/50/04/572095004.db2.gz YQYPFQWYCSUYAO-IUCAKERBSA-N 1 3 174.288 0.345 10 0 ACAEHO C[C@@H](C[NH3+])NCC1(O)CCCCC1 235127598 572095047 /nfs/dbraw/zinc/09/50/47/572095047.db2.gz KOQJKEXWIAAMTF-VIFPVBQESA-N 1 3 186.299 0.618 10 0 ACAEHO C[C@@H](C[NH3+])NCCc1ccc(O)cc1 235132416 572100583 /nfs/dbraw/zinc/10/05/83/572100583.db2.gz AGCFEOVARINZAY-VIFPVBQESA-N 1 3 194.278 0.872 10 0 ACAEHO CNC[C@H](O)C[N@H+](C)CC(C)C 37108340 572101309 /nfs/dbraw/zinc/10/13/09/572101309.db2.gz AJAZAAACOKOCMC-VIFPVBQESA-N 1 3 174.288 0.155 10 0 ACAEHO CNC[C@H](O)C[N@@H+](C)CC(C)C 37108340 572101312 /nfs/dbraw/zinc/10/13/12/572101312.db2.gz AJAZAAACOKOCMC-VIFPVBQESA-N 1 3 174.288 0.155 10 0 ACAEHO C[NH2+]C[C@H](O)CN(C)CC(C)C 37108340 572101314 /nfs/dbraw/zinc/10/13/14/572101314.db2.gz AJAZAAACOKOCMC-VIFPVBQESA-N 1 3 174.288 0.155 10 0 ACAEHO CCC[N@H+](C)C1(CN)CCN(C)CC1 37098121 572092594 /nfs/dbraw/zinc/09/25/94/572092594.db2.gz HYLJRVSVMPKWDN-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CN(C)CCN(C)CCC(C)(C)[NH3+] 82773427 572108253 /nfs/dbraw/zinc/10/82/53/572108253.db2.gz CUCJUMNECQOQQQ-UHFFFAOYSA-N 1 3 187.331 0.607 10 0 ACAEHO C[C@H]([NH3+])CCCN1CCN(C)C[C@H]1C 300356896 572132439 /nfs/dbraw/zinc/13/24/39/572132439.db2.gz RJFAUXMRWMPJBG-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN(CC[C@H]([NH3+])CO)C1CC1 82886228 572139843 /nfs/dbraw/zinc/13/98/43/572139843.db2.gz UEIJVAAKUJCNKM-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[C@@H]1C[C@@H]1NC[C@H](C[NH3+])OC 300379196 572139915 /nfs/dbraw/zinc/13/99/15/572139915.db2.gz YAENEDRIDCVUMO-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCN(CCN(C)C)C1 70584719 572236587 /nfs/dbraw/zinc/23/65/87/572236587.db2.gz BUXGCGQGHZHHGO-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H](C1CC1)N(C)CC[C@H]([NH3+])CO 82886719 572140941 /nfs/dbraw/zinc/14/09/41/572140941.db2.gz YUCRWGKLPKBNJS-SCZZXKLOSA-N 1 3 186.299 0.426 10 0 ACAEHO CCCN1C[C@H](C)O[C@H](CC[NH3+])C1 71499835 572157480 /nfs/dbraw/zinc/15/74/80/572157480.db2.gz RQTVFXMOQFPCEI-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[C@H](O)CN1 300389928 572158082 /nfs/dbraw/zinc/15/80/82/572158082.db2.gz SMABOBVMRKPEMW-KATARQTJSA-N 1 3 184.283 0.097 10 0 ACAEHO CN(CC[C@@H]([NH3+])CO)CC1CCC1 82881182 572161800 /nfs/dbraw/zinc/16/18/00/572161800.db2.gz IVDAJJJXAYFRPY-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1[C@H](CN)CC[N@@H+]1C1CC1 18564897 572162893 /nfs/dbraw/zinc/16/28/93/572162893.db2.gz AKPPXHNEFULGEF-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1[C@H](CN)CC[N@H+]1C1CC1 18564897 572162896 /nfs/dbraw/zinc/16/28/96/572162896.db2.gz AKPPXHNEFULGEF-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO CCN1CC[C@H](C[NH2+]CCOC)C1 37484372 572164083 /nfs/dbraw/zinc/16/40/83/572164083.db2.gz LFSWZPISYWTONJ-SNVBAGLBSA-N 1 3 186.299 0.564 10 0 ACAEHO CC[N@@H+]1CC[C@H](CNCCOC)C1 37484372 572164085 /nfs/dbraw/zinc/16/40/85/572164085.db2.gz LFSWZPISYWTONJ-SNVBAGLBSA-N 1 3 186.299 0.564 10 0 ACAEHO CC[N@H+]1CC[C@H](CNCCOC)C1 37484372 572164087 /nfs/dbraw/zinc/16/40/87/572164087.db2.gz LFSWZPISYWTONJ-SNVBAGLBSA-N 1 3 186.299 0.564 10 0 ACAEHO CC[C@@H]1CCCN1C[C@H]([NH3+])CCO 82988406 572164185 /nfs/dbraw/zinc/16/41/85/572164185.db2.gz XOXSDIWWAQCHDI-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]([NH3+])[C@@H](CO)N(C)C1CCCC1 82987062 572165356 /nfs/dbraw/zinc/16/53/56/572165356.db2.gz YGRSBBOPBPTDSC-WCBMZHEXSA-N 1 3 186.299 0.569 10 0 ACAEHO CCN(CC1CC1)[C@@H](CO)[C@@H](C)[NH3+] 82987503 572165377 /nfs/dbraw/zinc/16/53/77/572165377.db2.gz ZMGQYSNDMRITSJ-SCZZXKLOSA-N 1 3 186.299 0.426 10 0 ACAEHO CCCN(CCC)[C@H](CO)[C@@H](C)[NH3+] 82986999 572165385 /nfs/dbraw/zinc/16/53/85/572165385.db2.gz WBDOSWQJJXSUHK-NXEZZACHSA-N 1 3 188.315 0.817 10 0 ACAEHO COCCNC[C@@H]1CCCC[C@H]1[NH3+] 82922474 572175245 /nfs/dbraw/zinc/17/52/45/572175245.db2.gz ZUVJTAGTIXKBCW-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](CN1CCNCC1)[NH+]1CCCC1 19725994 572192463 /nfs/dbraw/zinc/19/24/63/572192463.db2.gz BXOVCNNKTDOVSY-LLVKDONJSA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@@H](C[NH3+])OCCN1CCC1 307880961 572722311 /nfs/dbraw/zinc/72/23/11/572722311.db2.gz RXHBZPCGHORKIP-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO [NH3+][C@H]1C[C@@H](CN2C[C@@H]3CC[C@H](C2)O3)C1 693541980 757390885 /nfs/dbraw/zinc/39/08/85/757390885.db2.gz BFGNQHVIXICYEY-DTIDVZRVSA-N 1 3 196.294 0.587 10 0 ACAEHO CC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 693543524 757391481 /nfs/dbraw/zinc/39/14/81/757391481.db2.gz BWKNMTPSQKJIRH-AXFHLTTASA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 693543528 757394443 /nfs/dbraw/zinc/39/44/43/757394443.db2.gz BWKNMTPSQKJIRH-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C)CN(CCN(C)C)C1 219826494 572207243 /nfs/dbraw/zinc/20/72/43/572207243.db2.gz UUAOCNWRRDLAOG-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO CCn1ccnc1NC[C@H](C)C[NH3+] 83387526 572207267 /nfs/dbraw/zinc/20/72/67/572207267.db2.gz LBPOYYFJADIICG-MRVPVSSYSA-N 1 3 182.271 0.910 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCCN(C)C[C@@H]1C 234413792 572210876 /nfs/dbraw/zinc/21/08/76/572210876.db2.gz XDZCTHPJVHIICL-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]([NH3+])[C@H](C)N1CCCN(C)CC1 20260635 572213998 /nfs/dbraw/zinc/21/39/98/572213998.db2.gz VNQPAGYBLYDLIP-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@](C)(O)C[NH2+]C1CCNCC1 83462371 572224998 /nfs/dbraw/zinc/22/49/98/572224998.db2.gz CMHWNBPMARYFLU-JTQLQIEISA-N 1 3 186.299 0.489 10 0 ACAEHO CC[C@](C)(O)CNC1CC[NH2+]CC1 83462371 572225000 /nfs/dbraw/zinc/22/50/00/572225000.db2.gz CMHWNBPMARYFLU-JTQLQIEISA-N 1 3 186.299 0.489 10 0 ACAEHO CN(CCN1CC[C@H]([NH3+])C1)C1CC1 70585739 572236623 /nfs/dbraw/zinc/23/66/23/572236623.db2.gz BJBOUEIKKWEZHX-VIFPVBQESA-N 1 3 183.299 0.114 10 0 ACAEHO CC[NH2+][C@@H]1CCCN(CCN(C)C)C1 70584717 572236694 /nfs/dbraw/zinc/23/66/94/572236694.db2.gz WCGOJLSXTBBXCY-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO [NH3+]CC[C@@H](O)CN1CCC[C@H](F)C1 689409720 572236701 /nfs/dbraw/zinc/23/67/01/572236701.db2.gz VLMHOVYKYNKVOL-DTWKUNHWSA-N 1 3 190.262 0.130 10 0 ACAEHO OCCNC[C@@H]1CC[N@@H+](C2CC2)C1 37904763 572237082 /nfs/dbraw/zinc/23/70/82/572237082.db2.gz STDYHIFQIVQFLW-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO OCCNC[C@@H]1CC[N@H+](C2CC2)C1 37904763 572237084 /nfs/dbraw/zinc/23/70/84/572237084.db2.gz STDYHIFQIVQFLW-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO CC[C@H](CN)C[NH2+]C 60019291 572333241 /nfs/dbraw/zinc/33/32/41/572333241.db2.gz NVWAYYHSJZGXSI-ZCFIWIBFSA-N 1 3 116.208 0.191 10 0 ACAEHO CN(CCOCC[NH3+])C1CC1 86435370 572937060 /nfs/dbraw/zinc/93/70/60/572937060.db2.gz IEPHLFJIECSALZ-UHFFFAOYSA-N 1 3 158.245 0.056 10 0 ACAEHO C[C@H]([NH3+])CC(=O)O[C@@H](C)CN(C)C 308214381 572948584 /nfs/dbraw/zinc/94/85/84/572948584.db2.gz YPEWOYYNHUFCAW-YUMQZZPRSA-N 1 3 188.271 0.217 10 0 ACAEHO C[C@H]([NH3+])CC(=O)O[C@H](C)CN(C)C 308214379 572948590 /nfs/dbraw/zinc/94/85/90/572948590.db2.gz YPEWOYYNHUFCAW-JGVFFNPUSA-N 1 3 188.271 0.217 10 0 ACAEHO CN1CCC[C@@H]1[C@H](C[NH3+])N1CCC1 250586131 572486648 /nfs/dbraw/zinc/48/66/48/572486648.db2.gz GRCXYZUZLSYGJK-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CC[C@@H]1CN(CCN(C)C)[C@@H](C)C[NH2+]1 238267721 572490241 /nfs/dbraw/zinc/49/02/41/572490241.db2.gz GBWHCHBSSJKARQ-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[N@@H+]1CCC[C@H]1[C@H](CN)N1CCCC1 250608593 572490325 /nfs/dbraw/zinc/49/03/25/572490325.db2.gz MASBQKZVQSZHNX-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@H+]1CCC[C@H]1[C@H](CN)N1CCCC1 250608593 572490327 /nfs/dbraw/zinc/49/03/27/572490327.db2.gz MASBQKZVQSZHNX-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC[C@H]1[C@H](CN)[NH+]1CCCC1 250608593 572490329 /nfs/dbraw/zinc/49/03/29/572490329.db2.gz MASBQKZVQSZHNX-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CC(C)(CN)[C@@H]([NH3+])C1CCOCC1 259302425 572996020 /nfs/dbraw/zinc/99/60/20/572996020.db2.gz KEOHWSJRWPHAQH-VIFPVBQESA-N 1 3 186.299 0.725 10 0 ACAEHO CCCNC[C@H]1C[NH2+]C[C@H]1C 82560511 573100490 /nfs/dbraw/zinc/10/04/90/573100490.db2.gz XBHWGMHSFDJQJO-BDAKNGLRSA-N 1 3 156.273 0.842 10 0 ACAEHO CN1CCN(C(C)(C)C)[C@H](CC[NH3+])C1 250687452 572518921 /nfs/dbraw/zinc/51/89/21/572518921.db2.gz HQESLEDWBUXAFH-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[N@@H+]1CCC[C@@H]([C@H](F)CN)C1 258479486 573109474 /nfs/dbraw/zinc/10/94/74/573109474.db2.gz JDBYZJJSFCTSRA-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCn1cccn1 308277591 573134829 /nfs/dbraw/zinc/13/48/29/573134829.db2.gz WIRISZJYQBJQSV-VIFPVBQESA-N 1 3 182.271 0.068 10 0 ACAEHO C[C@@H](CN)[NH2+]C1CCN(C)CC1 235124962 572528746 /nfs/dbraw/zinc/52/87/46/572528746.db2.gz YHNSWNXHVMFXLA-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[NH2+]CC[C@H]1CN(C(C)C)CCN1C 250783595 572534264 /nfs/dbraw/zinc/53/42/64/572534264.db2.gz XNYJALDCNKLZMV-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO COC1CC(C[N@H+](C)CCCN)C1 703445237 757482740 /nfs/dbraw/zinc/48/27/40/757482740.db2.gz MAOBVMNZVVNEPI-UHFFFAOYSA-N 1 3 186.299 0.692 10 0 ACAEHO COC1CC(C[N@@H+](C)CCCN)C1 703445237 757482755 /nfs/dbraw/zinc/48/27/55/757482755.db2.gz MAOBVMNZVVNEPI-UHFFFAOYSA-N 1 3 186.299 0.692 10 0 ACAEHO CN(C)Cc1ccc([C@@H]([NH3+])CO)cc1 72197710 572611808 /nfs/dbraw/zinc/61/18/08/572611808.db2.gz MDZHEJJNUUOWQZ-NSHDSACASA-N 1 3 194.278 0.740 10 0 ACAEHO C[C@@H]1CCN(C)[C@@H](C[NH3+])CN1C1CC1 251713005 572619868 /nfs/dbraw/zinc/61/98/68/572619868.db2.gz PCJAYVWIXBFDDN-KOLCDFICSA-N 1 3 197.326 0.502 10 0 ACAEHO COC[C@H](C)C[NH2+]C1CC(N)C1 87651835 572639351 /nfs/dbraw/zinc/63/93/51/572639351.db2.gz NWORTAVLFGURFV-AFPNSQJFSA-N 1 3 172.272 0.348 10 0 ACAEHO COC[C@H](C)CNC1CC([NH3+])C1 87651835 572639355 /nfs/dbraw/zinc/63/93/55/572639355.db2.gz NWORTAVLFGURFV-AFPNSQJFSA-N 1 3 172.272 0.348 10 0 ACAEHO NC1CC([NH2+]CCc2ccncc2)C1 87651627 572639434 /nfs/dbraw/zinc/63/94/34/572639434.db2.gz KZQQDFSLWLNCTR-UHFFFAOYSA-N 1 3 191.278 0.703 10 0 ACAEHO CCN1CCN(C/C=C/C[NH3+])C[C@@H]1C 85055116 572641303 /nfs/dbraw/zinc/64/13/03/572641303.db2.gz QHHCUTKZDAFBCD-ZWNMCFTASA-N 1 3 197.326 0.527 10 0 ACAEHO COC[C@@H](C)NC[C@H]1CCC[NH2+]C1 87645982 572641317 /nfs/dbraw/zinc/64/13/17/572641317.db2.gz KMMMTCORQGVRES-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO COC[C@@H](C)[NH2+]C[C@H]1CCCNC1 87645982 572641320 /nfs/dbraw/zinc/64/13/20/572641320.db2.gz KMMMTCORQGVRES-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCC[C@@H]2CO)C1 87652107 572641328 /nfs/dbraw/zinc/64/13/28/572641328.db2.gz UNGBWCNINNZYDK-IZUQBHJASA-N 1 3 198.310 0.474 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCC[C@@H]2CO)C1 87652107 572641330 /nfs/dbraw/zinc/64/13/30/572641330.db2.gz UNGBWCNINNZYDK-IZUQBHJASA-N 1 3 198.310 0.474 10 0 ACAEHO CCOCCN(CC)C/C=C/C[NH3+] 85055130 572641338 /nfs/dbraw/zinc/64/13/38/572641338.db2.gz HCIHPKPXBFTUFC-AATRIKPKSA-N 1 3 186.299 0.860 10 0 ACAEHO COCC1CCN(C/C=C/C[NH3+])CC1 85055158 572641378 /nfs/dbraw/zinc/64/13/78/572641378.db2.gz FQLNVEFFBASNNB-NSCUHMNNSA-N 1 3 198.310 0.860 10 0 ACAEHO COC(=O)C1C(=O)C[C@@H]2CC[N@H+](C)[C@H]12 250550317 572659657 /nfs/dbraw/zinc/65/96/57/572659657.db2.gz ABHKURFOKWRVSI-ZQARSLAVSA-N 1 3 197.234 0.069 10 0 ACAEHO COC(=O)C1C(=O)C[C@@H]2CC[N@@H+](C)[C@H]12 250550317 572659658 /nfs/dbraw/zinc/65/96/58/572659658.db2.gz ABHKURFOKWRVSI-ZQARSLAVSA-N 1 3 197.234 0.069 10 0 ACAEHO CC[C@@H](CO)N[C@@H](C)[C@@H](C)[NH3+] 307859393 572659672 /nfs/dbraw/zinc/65/96/72/572659672.db2.gz GBOFQVWVDHHBEO-CSMHCCOUSA-N 1 3 160.261 0.083 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@H]1C1CC1 250248322 572660470 /nfs/dbraw/zinc/66/04/70/572660470.db2.gz IGGZYVURWXKXLF-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H](CC[NH3+])CNc1nccn1C 85131002 572676582 /nfs/dbraw/zinc/67/65/82/572676582.db2.gz TVDKWHFZAXWFJA-QMMMGPOBSA-N 1 3 182.271 0.817 10 0 ACAEHO CSCC[C@@H]([NH3+])CNC1CC1 307866837 572679063 /nfs/dbraw/zinc/67/90/63/572679063.db2.gz GPXFAOURQDLMJJ-SSDOTTSWSA-N 1 3 174.313 0.819 10 0 ACAEHO Cn1cc(CC[NH2+]C2CC(N)C2)cn1 87765563 572702019 /nfs/dbraw/zinc/70/20/19/572702019.db2.gz SABMHQDJHZVCGF-UHFFFAOYSA-N 1 3 194.282 0.042 10 0 ACAEHO C[C@H]([NH3+])CCN(C)[C@@H]1CCN(C)C1 258692479 573495103 /nfs/dbraw/zinc/49/51/03/573495103.db2.gz FYCPLFKEEVLGCK-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)[N@H+](C)CCn1cncc1CN 85198811 572706541 /nfs/dbraw/zinc/70/65/41/572706541.db2.gz GLIYNKPSEGVHQX-UHFFFAOYSA-N 1 3 196.298 0.682 10 0 ACAEHO CC(C)[N@@H+](C)CCn1cncc1CN 85198811 572706544 /nfs/dbraw/zinc/70/65/44/572706544.db2.gz GLIYNKPSEGVHQX-UHFFFAOYSA-N 1 3 196.298 0.682 10 0 ACAEHO C[C@H](CCO)N1CCC[C@@H]1C[NH3+] 238434764 572706602 /nfs/dbraw/zinc/70/66/02/572706602.db2.gz DBRFENFGGSDTCG-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](Cn1cncc1CN)[NH+](C)C 85198309 572706609 /nfs/dbraw/zinc/70/66/09/572706609.db2.gz YPDBFMJDGJDDEA-QMMMGPOBSA-N 1 3 182.271 0.292 10 0 ACAEHO CC1(C)CC[C@@](C[NH3+])(NCCO)C1 87772595 572706627 /nfs/dbraw/zinc/70/66/27/572706627.db2.gz SNRWIRFGCYLZBL-SNVBAGLBSA-N 1 3 186.299 0.476 10 0 ACAEHO OSCC[NH2+][C@H]1CCCNC1 527079698 572720789 /nfs/dbraw/zinc/72/07/89/572720789.db2.gz WUZGHLVZHCQDNO-ZETCQYMHSA-N 1 3 175.277 0.407 10 0 ACAEHO C[C@H]([NH3+])CSC[C@H]1CNCCO1 85310592 572720825 /nfs/dbraw/zinc/72/08/25/572720825.db2.gz GZUXHBXIMRRAFL-JGVFFNPUSA-N 1 3 190.312 0.055 10 0 ACAEHO C[C@H](C[NH3+])OCCN1CCC1 307880960 572721637 /nfs/dbraw/zinc/72/16/37/572721637.db2.gz RXHBZPCGHORKIP-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO OSCCN[C@H]1CCC[NH2+]CC1 527081063 572722348 /nfs/dbraw/zinc/72/23/48/572722348.db2.gz FCIXQHSTJUGOQZ-QMMMGPOBSA-N 1 3 189.304 0.797 10 0 ACAEHO C[C@@H]([NH3+])CSC[C@H]1CNCCO1 85310593 572722371 /nfs/dbraw/zinc/72/23/71/572722371.db2.gz GZUXHBXIMRRAFL-HTQZYQBOSA-N 1 3 190.312 0.055 10 0 ACAEHO C[C@H](C[NH3+])SC[C@H]1CNCCO1 85302104 572722400 /nfs/dbraw/zinc/72/24/00/572722400.db2.gz YYHHVHKCAQFEEM-HTQZYQBOSA-N 1 3 190.312 0.055 10 0 ACAEHO CC[N@H+](CCO)[C@H](C)[C@H](C)N 307888533 572733224 /nfs/dbraw/zinc/73/32/24/572733224.db2.gz XDLJBMSFRVVRTO-JGVFFNPUSA-N 1 3 160.261 0.036 10 0 ACAEHO CC[N@@H+](CCO)[C@H](C)[C@H](C)N 307888533 572733225 /nfs/dbraw/zinc/73/32/25/572733225.db2.gz XDLJBMSFRVVRTO-JGVFFNPUSA-N 1 3 160.261 0.036 10 0 ACAEHO C[C@H](C[NH3+])CNCCC(F)F 307893981 572733241 /nfs/dbraw/zinc/73/32/41/572733241.db2.gz HBPIXLZKZGNKJU-ZCFIWIBFSA-N 1 3 166.215 0.826 10 0 ACAEHO C[C@H](CN)C[NH2+]CCC(F)F 307893981 572733243 /nfs/dbraw/zinc/73/32/43/572733243.db2.gz HBPIXLZKZGNKJU-ZCFIWIBFSA-N 1 3 166.215 0.826 10 0 ACAEHO COC[C@H](C[NH3+])N[C@H]1CC[C@H](C)C1 393565468 573854517 /nfs/dbraw/zinc/85/45/17/573854517.db2.gz JHZBMJVKTZCLRF-GUBZILKMSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@]1(CN2CCC([NH3+])CC2)CCCO1 87254483 573854518 /nfs/dbraw/zinc/85/45/18/573854518.db2.gz SPVRNWNUDCPZIU-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO CCN(CC)C[C@H]1COC[C@H]1[NH3+] 85375028 572734210 /nfs/dbraw/zinc/73/42/10/572734210.db2.gz CQJILLCOYUNRBA-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CN1CCC[C@]2(CCC[C@@H](C[NH3+])O2)C1 686238270 572735830 /nfs/dbraw/zinc/73/58/30/572735830.db2.gz VZSZNUJLPIQADN-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@@H](O)[C@@H]2CCC[NH2+]2)C1 235328478 572735872 /nfs/dbraw/zinc/73/58/72/572735872.db2.gz WMADDMVGFQYRPS-RCWTZXSCSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1CCN(C)C[C@H](C)C[NH2+]1 49663018 572793800 /nfs/dbraw/zinc/79/38/00/572793800.db2.gz ZQJPLGZOWLDWIO-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO [NH3+]CCCCCSC1=NCCN1 238559772 572820441 /nfs/dbraw/zinc/82/04/41/572820441.db2.gz QXPWBVLEKBIZKS-UHFFFAOYSA-N 1 3 187.312 0.808 10 0 ACAEHO C[C@H](NCC(C)(C)CCO)[C@@H](C)[NH3+] 308141558 572828733 /nfs/dbraw/zinc/82/87/33/572828733.db2.gz UIGKBJGNCPUTQQ-BDAKNGLRSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@@H](CN)C[NH2+]C(C)(C)[C@H](C)O 307957410 572839655 /nfs/dbraw/zinc/83/96/55/572839655.db2.gz HDOCBAVJTJIRJF-YUMQZZPRSA-N 1 3 174.288 0.330 10 0 ACAEHO COC[C@H](C)N(C)[C@@H](C)[C@H](C)C[NH3+] 86312057 572914134 /nfs/dbraw/zinc/91/41/34/572914134.db2.gz KKQQNUBEXZRHLP-UTLUCORTSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@@H](C)[C@H](C)CN 86312057 572914136 /nfs/dbraw/zinc/91/41/36/572914136.db2.gz KKQQNUBEXZRHLP-UTLUCORTSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@@H](C)[C@H](C)CN 86312057 572914137 /nfs/dbraw/zinc/91/41/37/572914137.db2.gz KKQQNUBEXZRHLP-UTLUCORTSA-N 1 3 188.315 0.936 10 0 ACAEHO C[C@@H](C[NH3+])CCN1C[C@@H]2CC[C@H](C1)O2 87999830 572915162 /nfs/dbraw/zinc/91/51/62/572915162.db2.gz BTEKIDVDDJNHGC-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@]1([N@@H+]2CCC[C@@H](N)C2)CCCOC1 235401522 572915949 /nfs/dbraw/zinc/91/59/49/572915949.db2.gz OKUYTYKWMGFPLV-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@]1([N@H+]2CCC[C@@H](N)C2)CCCOC1 235401522 572915952 /nfs/dbraw/zinc/91/59/52/572915952.db2.gz OKUYTYKWMGFPLV-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CN[C@@H]1C=C[C@H](C)[C@H]2C[NH2+]C[C@@H]12 141297728 572927066 /nfs/dbraw/zinc/92/70/66/572927066.db2.gz SFIBLXYGWQPAOY-SGIHWFKDSA-N 1 3 166.268 0.616 10 0 ACAEHO CC(C)(CN)C[NH2+]CC1CC(O)C1 308199047 572927077 /nfs/dbraw/zinc/92/70/77/572927077.db2.gz ORLKXUIWOUZJJK-UHFFFAOYSA-N 1 3 186.299 0.332 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCCc2c[nH]cn2)C1 86401114 572930929 /nfs/dbraw/zinc/93/09/29/572930929.db2.gz IXPJPESSGTUJRF-IUCAKERBSA-N 1 3 194.282 0.422 10 0 ACAEHO CC[C@H](CO)N[C@@H]1CC[C@H]([NH3+])C1 86398021 572930939 /nfs/dbraw/zinc/93/09/39/572930939.db2.gz JRSCAMDFSACBQV-DJLDLDEBSA-N 1 3 172.272 0.227 10 0 ACAEHO C[NH2+]CCN(C)c1cnc(C)n1C 308204858 572933885 /nfs/dbraw/zinc/93/38/85/572933885.db2.gz XXGGVMLKSUOQPY-UHFFFAOYSA-N 1 3 182.271 0.384 10 0 ACAEHO C[C@@H]1CC[C@H](CNC(C)(C)C[NH3+])O1 308205751 572936567 /nfs/dbraw/zinc/93/65/67/572936567.db2.gz YQHXHPIFWSDYFR-RKDXNWHRSA-N 1 3 186.299 0.881 10 0 ACAEHO CCCN(CCO)[C@H]1CC[C@H]([NH3+])C1 86431838 572937066 /nfs/dbraw/zinc/93/70/66/572937066.db2.gz YNMSEPOBXALWPP-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CCC[C@@H]1CCO 308196566 572938508 /nfs/dbraw/zinc/93/85/08/572938508.db2.gz MZGHDLOTJMIHDO-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[N@H+]1CCC[C@@H]1CCO 308196566 572938510 /nfs/dbraw/zinc/93/85/10/572938510.db2.gz MZGHDLOTJMIHDO-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(C)CCN(C)C1(C[NH3+])CCC1 86475190 572943713 /nfs/dbraw/zinc/94/37/13/572943713.db2.gz XWYXIQXIRXLSJI-UHFFFAOYSA-N 1 3 185.315 0.361 10 0 ACAEHO CC(C)(N)c1nc2c([nH]1)C[C@H]([NH3+])CC2 76124939 572945761 /nfs/dbraw/zinc/94/57/61/572945761.db2.gz KLYCWZUDUIKEMA-ZCFIWIBFSA-N 1 3 194.282 0.420 10 0 ACAEHO C[C@H]([NH2+]CCN(C)C1CC1)[C@@H](C)N 308208562 572946920 /nfs/dbraw/zinc/94/69/20/572946920.db2.gz VFIACLHPSVTGSV-BDAKNGLRSA-N 1 3 185.315 0.406 10 0 ACAEHO C[C@H](NCCN(C)C1CC1)[C@@H](C)[NH3+] 308208562 572946922 /nfs/dbraw/zinc/94/69/22/572946922.db2.gz VFIACLHPSVTGSV-BDAKNGLRSA-N 1 3 185.315 0.406 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CCN(C)C1CC1 308208564 572946941 /nfs/dbraw/zinc/94/69/41/572946941.db2.gz VFIACLHPSVTGSV-DTWKUNHWSA-N 1 3 185.315 0.406 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCN(C)C1CC1 308208564 572946942 /nfs/dbraw/zinc/94/69/42/572946942.db2.gz VFIACLHPSVTGSV-DTWKUNHWSA-N 1 3 185.315 0.406 10 0 ACAEHO COCCCC[NH2+]CC(C)(C)CN 308208015 572946953 /nfs/dbraw/zinc/94/69/53/572946953.db2.gz UWDBXWZRKIDDCR-UHFFFAOYSA-N 1 3 188.315 0.988 10 0 ACAEHO CN(C)Cc1cccc([C@H](O)C[NH3+])c1 76166440 572948674 /nfs/dbraw/zinc/94/86/74/572948674.db2.gz OZEGUNQSVVYQNJ-LLVKDONJSA-N 1 3 194.278 0.740 10 0 ACAEHO C[NH2+]CCC(=O)O[C@H](C)CN(C)C 308213997 572948687 /nfs/dbraw/zinc/94/86/87/572948687.db2.gz YEVZFAZDOWPFFH-MRVPVSSYSA-N 1 3 188.271 0.089 10 0 ACAEHO C[C@@H](CN(C)C)OC(=O)C[C@@H](C)[NH3+] 308214380 572949940 /nfs/dbraw/zinc/94/99/40/572949940.db2.gz YPEWOYYNHUFCAW-SFYZADRCSA-N 1 3 188.271 0.217 10 0 ACAEHO CCN(CC)CC[S@](=O)CC[NH3+] 88062398 572950407 /nfs/dbraw/zinc/95/04/07/572950407.db2.gz UYSSCTLDPFCXMK-LBPRGKRZSA-N 1 3 192.328 0.036 10 0 ACAEHO [NH3+]C[C@H]1CC[C@@H]1N1CCCOCC1 87923003 573001215 /nfs/dbraw/zinc/00/12/15/573001215.db2.gz CPNXLDFTULOUFJ-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO CCN1CCN([C@@H]2CC[C@H]2C[NH3+])CC1 87921771 573001271 /nfs/dbraw/zinc/00/12/71/573001271.db2.gz YVDIWAFFUFMUCB-WDEREUQCSA-N 1 3 197.326 0.361 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)C 87921792 573001327 /nfs/dbraw/zinc/00/13/27/573001327.db2.gz GRDKPBFNXOPNCL-HTQZYQBOSA-N 1 3 142.246 0.546 10 0 ACAEHO C[NH2+][C@@H]1COC[C@@H]1CN1CCCCC1 85382250 573001466 /nfs/dbraw/zinc/00/14/66/573001466.db2.gz DLHZGKKCFACNJB-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CN(C)[C@@H]1CC[C@@H]1C[NH3+] 87921793 573002743 /nfs/dbraw/zinc/00/27/43/573002743.db2.gz JWKMQARIGPRDGD-RNFRBKRXSA-N 1 3 128.219 0.285 10 0 ACAEHO N[C@@H]1CCC[C@H]1[NH2+]C/C=C/CO 1118544934 757686128 /nfs/dbraw/zinc/68/61/28/757686128.db2.gz FQUPPWYBAXKBPF-NPIHWTNLSA-N 1 3 170.256 0.004 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[NH2+]C/C=C/CO 1118544933 757686628 /nfs/dbraw/zinc/68/66/28/757686628.db2.gz FQUPPWYBAXKBPF-NFXAZMQOSA-N 1 3 170.256 0.004 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[NH2+]C/C=C\CO 1118544932 757693043 /nfs/dbraw/zinc/69/30/43/757693043.db2.gz FQUPPWYBAXKBPF-ABKJGRNXSA-N 1 3 170.256 0.004 10 0 ACAEHO N[C@@H]1CCC[C@H]1[NH2+]C/C=C\CO 1118544935 757693886 /nfs/dbraw/zinc/69/38/86/757693886.db2.gz FQUPPWYBAXKBPF-WDESOFOKSA-N 1 3 170.256 0.004 10 0 ACAEHO CSC[C@H](N)[C@H]1CC[NH2+]C1 258223269 573016229 /nfs/dbraw/zinc/01/62/29/573016229.db2.gz QXLFACRLQAJXSK-BQBZGAKWSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 1118918532 757721092 /nfs/dbraw/zinc/72/10/92/757721092.db2.gz VKQVGAAOGRYHLX-SFYZADRCSA-N 1 3 195.270 0.050 10 0 ACAEHO C[C@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 1118918530 757722693 /nfs/dbraw/zinc/72/26/93/757722693.db2.gz VKQVGAAOGRYHLX-JGVFFNPUSA-N 1 3 195.270 0.050 10 0 ACAEHO C[C@@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 1118918518 757725151 /nfs/dbraw/zinc/72/51/51/757725151.db2.gz VKQVGAAOGRYHLX-HTQZYQBOSA-N 1 3 195.270 0.050 10 0 ACAEHO C[C@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 1118918533 757725456 /nfs/dbraw/zinc/72/54/56/757725456.db2.gz VKQVGAAOGRYHLX-YUMQZZPRSA-N 1 3 195.270 0.050 10 0 ACAEHO OCCN1CCC[C@@H]1[C@H]1CCC[NH2+]C1 85438402 573023281 /nfs/dbraw/zinc/02/32/81/573023281.db2.gz YZGDYJFDUSMEPQ-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCNC1 85438402 573023285 /nfs/dbraw/zinc/02/32/85/573023285.db2.gz YZGDYJFDUSMEPQ-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@H+]1CCC[C@@H]1[C@H]1CCCNC1 85438402 573023291 /nfs/dbraw/zinc/02/32/91/573023291.db2.gz YZGDYJFDUSMEPQ-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)CCO1 686252421 573026177 /nfs/dbraw/zinc/02/61/77/573026177.db2.gz KISJLIDBKVBONU-FXPVBKGRSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)CCO1 686252422 573026294 /nfs/dbraw/zinc/02/62/94/573026294.db2.gz KISJLIDBKVBONU-KKZNHRDASA-N 1 3 198.310 0.751 10 0 ACAEHO Cc1cc(NCCO)c(C[NH3+])c(C)n1 87974920 573032374 /nfs/dbraw/zinc/03/23/74/573032374.db2.gz LVIAPVKBZONLCV-UHFFFAOYSA-N 1 3 195.266 0.561 10 0 ACAEHO C[C@H](CCN)[NH+]1CCC(C)(O)CC1 88022475 573039202 /nfs/dbraw/zinc/03/92/02/573039202.db2.gz INUWRHQDUWRNTB-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCCC[N@@H+]1CCN[C@@H](CNC)C1 259316243 573039206 /nfs/dbraw/zinc/03/92/06/573039206.db2.gz QQJWSSWUSXZOOY-NSHDSACASA-N 1 3 199.342 0.670 10 0 ACAEHO CCCCC[N@H+]1CCN[C@@H](CNC)C1 259316243 573039211 /nfs/dbraw/zinc/03/92/11/573039211.db2.gz QQJWSSWUSXZOOY-NSHDSACASA-N 1 3 199.342 0.670 10 0 ACAEHO CNCC[C@@H](C)[NH2+]C 104584385 573041775 /nfs/dbraw/zinc/04/17/75/573041775.db2.gz DKZBLXUAJDHZQQ-ZCFIWIBFSA-N 1 3 116.208 0.204 10 0 ACAEHO CN[C@H](C)CC[NH2+]C 104584385 573041780 /nfs/dbraw/zinc/04/17/80/573041780.db2.gz DKZBLXUAJDHZQQ-ZCFIWIBFSA-N 1 3 116.208 0.204 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCCF 88026428 573042002 /nfs/dbraw/zinc/04/20/02/573042002.db2.gz KMEVBBYUUXHHDZ-OPRDCNLKSA-N 1 3 186.274 0.886 10 0 ACAEHO C[C@H]([NH3+])/C=C/[C@@H](N)CF 104585954 573042043 /nfs/dbraw/zinc/04/20/43/573042043.db2.gz LODPZCCHTOTZKQ-KFBNRENSSA-N 1 3 132.182 0.187 10 0 ACAEHO C[N@@H+]1CC[C@H](c2oncc2CN)C1 257928109 573042107 /nfs/dbraw/zinc/04/21/07/573042107.db2.gz SNHMTQPNVKCVPV-ZETCQYMHSA-N 1 3 181.239 0.552 10 0 ACAEHO C[N@H+]1CC[C@H](c2oncc2CN)C1 257928109 573042113 /nfs/dbraw/zinc/04/21/13/573042113.db2.gz SNHMTQPNVKCVPV-ZETCQYMHSA-N 1 3 181.239 0.552 10 0 ACAEHO CN(C[C@@H](O)CC[NH3+])c1ccncc1 259318027 573042147 /nfs/dbraw/zinc/04/21/47/573042147.db2.gz VYWYHWSLPIZCGX-JTQLQIEISA-N 1 3 195.266 0.228 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CCN 308237577 573042221 /nfs/dbraw/zinc/04/22/21/573042221.db2.gz WSNSGDPWQSXJSX-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCC[C@@H]1CCN 308237577 573042230 /nfs/dbraw/zinc/04/22/30/573042230.db2.gz WSNSGDPWQSXJSX-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](NC[C@@H](O)C1CCC1)C1C[NH2+]C1 686252352 573042305 /nfs/dbraw/zinc/04/23/05/573042305.db2.gz UNHANYKRXDRPSD-LDYMZIIASA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)C1CNC1 686252352 573042313 /nfs/dbraw/zinc/04/23/13/573042313.db2.gz UNHANYKRXDRPSD-LDYMZIIASA-N 1 3 198.310 0.345 10 0 ACAEHO CC[C@@H](C[N@@H+]1CCCNCC1)OC 308248951 573049862 /nfs/dbraw/zinc/04/98/62/573049862.db2.gz APVBOIZEKWNLRU-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@@H](C[N@H+]1CCCNCC1)OC 308248951 573049868 /nfs/dbraw/zinc/04/98/68/573049868.db2.gz APVBOIZEKWNLRU-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@@](C)(N)[C@@H](C)[NH3+] 104592768 573050167 /nfs/dbraw/zinc/05/01/67/573050167.db2.gz DXTFUNBMRBRDAN-PHDIDXHHSA-N 1 3 116.208 0.461 10 0 ACAEHO CCN1CCCC[C@H]1N1CC[NH2+]CC1 257932964 573052885 /nfs/dbraw/zinc/05/28/85/573052885.db2.gz BEMALAVGMVAMTI-LLVKDONJSA-N 1 3 197.326 0.724 10 0 ACAEHO CC[C@@H]1CN(C[C@@H](C)[NH3+])CCN1C 82477941 573061449 /nfs/dbraw/zinc/06/14/49/573061449.db2.gz RWFMLPZSEVYFGU-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCN(C)[C@H](C)C1 82477805 573061554 /nfs/dbraw/zinc/06/15/54/573061554.db2.gz GSXAIHIFHPFAJM-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@H]1CN([C@@H](C)C[NH3+])CCN1C 82479764 573061626 /nfs/dbraw/zinc/06/16/26/573061626.db2.gz DJEYWICLYVVECW-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@H]([NH3+])CN1CCN(C)C(C)(C)C1 82478036 573061691 /nfs/dbraw/zinc/06/16/91/573061691.db2.gz ZPCCEWYLWXPLSR-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 88077679 573065420 /nfs/dbraw/zinc/06/54/20/573065420.db2.gz MHMMLWPXQYRLMN-RKDXNWHRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 88077679 573065422 /nfs/dbraw/zinc/06/54/22/573065422.db2.gz MHMMLWPXQYRLMN-RKDXNWHRSA-N 1 3 154.257 0.833 10 0 ACAEHO [NH3+]Cc1cnoc1[C@H]1CCCCN1 259321882 573070787 /nfs/dbraw/zinc/07/07/87/573070787.db2.gz RXHCSTFBDOZTFZ-MRVPVSSYSA-N 1 3 181.239 0.948 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCN(C)C(C)(C)C1 82485174 573073863 /nfs/dbraw/zinc/07/38/63/573073863.db2.gz KSSFWHGHTPGZQX-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]1CNCC[C@H]1[NH2+]C 104618191 573076724 /nfs/dbraw/zinc/07/67/24/573076724.db2.gz JSYULFBQUYEKLN-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H](NC1CC1)[C@@H]1CC[NH2+]C1 114466765 573080014 /nfs/dbraw/zinc/08/00/14/573080014.db2.gz SJWLEMZTEZUPSM-JGVFFNPUSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H](C)CCN1 104621678 573083706 /nfs/dbraw/zinc/08/37/06/573083706.db2.gz MBAYHNRDFVNEPM-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO CC1[C@@H](C)NCC[NH2+][C@@H]1C 104622914 573083820 /nfs/dbraw/zinc/08/38/20/573083820.db2.gz ZOXFAQKJLJVCMV-HTQZYQBOSA-N 1 3 142.246 0.592 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@@](C)(O)C1 235455343 573084152 /nfs/dbraw/zinc/08/41/52/573084152.db2.gz NNQUSLKDZPZFRQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@@](C)(O)C1 235455343 573084155 /nfs/dbraw/zinc/08/41/55/573084155.db2.gz NNQUSLKDZPZFRQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](C[NH3+])CN1CC[C@@](C)(O)C1 235455343 573084164 /nfs/dbraw/zinc/08/41/64/573084164.db2.gz NNQUSLKDZPZFRQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[NH2+][C@H]1CCN(c2ccncc2)C1 114585771 573087108 /nfs/dbraw/zinc/08/71/08/573087108.db2.gz ISEBPXBVBQDKBL-VIFPVBQESA-N 1 3 177.251 0.880 10 0 ACAEHO C1CC[NH+](CC[C@@H]2CNCCO2)C1 85620584 573093905 /nfs/dbraw/zinc/09/39/05/573093905.db2.gz GZZGQHMTRDXZNT-SNVBAGLBSA-N 1 3 184.283 0.461 10 0 ACAEHO C1CC[NH+](CC[C@H]2CNCCO2)C1 85620588 573093990 /nfs/dbraw/zinc/09/39/90/573093990.db2.gz GZZGQHMTRDXZNT-JTQLQIEISA-N 1 3 184.283 0.461 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CNC1CCC1 82569827 573105678 /nfs/dbraw/zinc/10/56/78/573105678.db2.gz WNKNQBCADPBNPA-RKDXNWHRSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1CNC1CCC1 82569829 573106048 /nfs/dbraw/zinc/10/60/48/573106048.db2.gz WNKNQBCADPBNPA-DTWKUNHWSA-N 1 3 168.284 0.984 10 0 ACAEHO C[N@H+]1CCC[C@@H]([C@H](F)CN)C1 258479486 573109480 /nfs/dbraw/zinc/10/94/80/573109480.db2.gz JDBYZJJSFCTSRA-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@@H]1CC[C@H](CN)[C@@H]([NH3+])C1 114726669 573112402 /nfs/dbraw/zinc/11/24/02/573112402.db2.gz ZXWUMSRYMMCECY-PRJMDXOYSA-N 1 3 142.246 0.709 10 0 ACAEHO NC[C@]1(C[NH+]2CCCC2)CCCOC1 82582192 573112459 /nfs/dbraw/zinc/11/24/59/573112459.db2.gz HRZQTPBLQCCZAC-NSHDSACASA-N 1 3 198.310 0.838 10 0 ACAEHO C[NH+](C)[C@H]1CC[C@@H]1N 104643998 573113669 /nfs/dbraw/zinc/11/36/69/573113669.db2.gz WOVCKCWRYAHUDR-WDSKDSINSA-N 1 3 114.192 0.038 10 0 ACAEHO C[C@H]([NH3+])C(C)(C)CN1CC[C@H](O)C1 85679457 573117716 /nfs/dbraw/zinc/11/77/16/573117716.db2.gz ZCJHSRLNEBBNMD-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@H](Nc2nccn2C)CC[NH2+]1 235717217 573121660 /nfs/dbraw/zinc/12/16/60/573121660.db2.gz RMPDUUPZMZVTBX-DTWKUNHWSA-N 1 3 194.282 0.973 10 0 ACAEHO C[C@H](CC[NH+](C)C)N[C@H]1C[C@H]1CO 308274465 573121772 /nfs/dbraw/zinc/12/17/72/573121772.db2.gz UOVZWMINGWGASL-UTLUCORTSA-N 1 3 186.299 0.297 10 0 ACAEHO OC[C@]1([C@@H]2CC[NH2+]C2)CCCCN1 257947856 573121870 /nfs/dbraw/zinc/12/18/70/573121870.db2.gz CEVSZHGFHLOYJB-ZJUUUORDSA-N 1 3 184.283 0.101 10 0 ACAEHO C[C@H]1C[C@H]([N@H+](C)C(C)(C)CN)CO1 401814251 573128397 /nfs/dbraw/zinc/12/83/97/573128397.db2.gz GFAPKXYFALISQT-IUCAKERBSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H]1C[C@H]([N@@H+](C)C(C)(C)CN)CO1 401814251 573128403 /nfs/dbraw/zinc/12/84/03/573128403.db2.gz GFAPKXYFALISQT-IUCAKERBSA-N 1 3 186.299 0.833 10 0 ACAEHO CN[C@@H](CC[NH3+])c1cc[nH]c1 259343627 573146696 /nfs/dbraw/zinc/14/66/96/573146696.db2.gz JNPNMFMHRIBCEC-QMMMGPOBSA-N 1 3 153.229 0.624 10 0 ACAEHO C1C[C@@H]2[C@H]3[NH2+]CC[C@@H]3CCN2C1 257742806 573148152 /nfs/dbraw/zinc/14/81/52/573148152.db2.gz OIVPCVFUNFDHFS-BBBLOLIVSA-N 1 3 166.268 0.833 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@@](C)(O)C1CC1 308282419 573153776 /nfs/dbraw/zinc/15/37/76/573153776.db2.gz YKXUPHGHCQOYAP-WCBMZHEXSA-N 1 3 186.299 0.332 10 0 ACAEHO CN1CC[C@H](C(=O)C[C@@H]2CC[NH2+]C2)C1 259347461 573153814 /nfs/dbraw/zinc/15/38/14/573153814.db2.gz ZMUQZDPFGVURDH-UWVGGRQHSA-N 1 3 196.294 0.507 10 0 ACAEHO CN1CC[C@]2(CC[C@H](CC[NH3+])O2)C1 686240881 573153830 /nfs/dbraw/zinc/15/38/30/573153830.db2.gz HWYQNANGSVWNFV-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO CC[NH2+][C@H]1CCCNCC1 82666747 573153843 /nfs/dbraw/zinc/15/38/43/573153843.db2.gz SKTMHKFZROBWBL-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@@H](F)CN)C1 258544074 573157014 /nfs/dbraw/zinc/15/70/14/573157014.db2.gz OVFCOHPRUDNIOY-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@@H](F)CN)C1 258544074 573157020 /nfs/dbraw/zinc/15/70/20/573157020.db2.gz OVFCOHPRUDNIOY-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@](C)(O)C1CC1 308282421 573157056 /nfs/dbraw/zinc/15/70/56/573157056.db2.gz YKXUPHGHCQOYAP-WPRPVWTQSA-N 1 3 186.299 0.332 10 0 ACAEHO CC(C)(O)C(C)(C)C[NH2+]CCCN 393615953 573162856 /nfs/dbraw/zinc/16/28/56/573162856.db2.gz GGYRKDXJAJWIGV-UHFFFAOYSA-N 1 3 188.315 0.722 10 0 ACAEHO CC(C)(O)C(C)(C)CNCCC[NH3+] 393615953 573162859 /nfs/dbraw/zinc/16/28/59/573162859.db2.gz GGYRKDXJAJWIGV-UHFFFAOYSA-N 1 3 188.315 0.722 10 0 ACAEHO N[C@H](CO)c1ccccc1CC[NH3+] 104675209 573164022 /nfs/dbraw/zinc/16/40/22/573164022.db2.gz UTETWHMRFKNABJ-SNVBAGLBSA-N 1 3 180.251 0.180 10 0 ACAEHO CO[C@@]1(C[NH3+])CCN(C2CC2)C1 258560057 573164028 /nfs/dbraw/zinc/16/40/28/573164028.db2.gz QJGVGEJFJRYEFD-SECBINFHSA-N 1 3 170.256 0.198 10 0 ACAEHO CO[C@@]1(CN)CC[N@@H+](C2CC2)C1 258560057 573164031 /nfs/dbraw/zinc/16/40/31/573164031.db2.gz QJGVGEJFJRYEFD-SECBINFHSA-N 1 3 170.256 0.198 10 0 ACAEHO CO[C@@]1(CN)CC[N@H+](C2CC2)C1 258560057 573164035 /nfs/dbraw/zinc/16/40/35/573164035.db2.gz QJGVGEJFJRYEFD-SECBINFHSA-N 1 3 170.256 0.198 10 0 ACAEHO CN(C)[C@H]1C=C[C@H](O)C12CC[NH2+]CC2 238297571 573164122 /nfs/dbraw/zinc/16/41/22/573164122.db2.gz FROXLPAKFNYVOT-UWVGGRQHSA-N 1 3 196.294 0.217 10 0 ACAEHO CN1CC[C@@H]2CC[C@H](CC1)[NH2+]2 258562027 573169517 /nfs/dbraw/zinc/16/95/17/573169517.db2.gz QNNXKCHVUGNQNP-DTORHVGOSA-N 1 3 154.257 0.833 10 0 ACAEHO CN1CCC[NH2+][C@H]2CCN(C)C[C@H]2C1 238298756 573169536 /nfs/dbraw/zinc/16/95/36/573169536.db2.gz CSTXBDDMUXHRJH-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@H]1C[NH2+]CCCN(CCN(C)C)C1 259351325 573170863 /nfs/dbraw/zinc/17/08/63/573170863.db2.gz JSXZCENVPCEEAP-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO COC[C@]1(CN[C@@H]2C[C@@H]2C)CC[NH2+]C1 308514385 573186566 /nfs/dbraw/zinc/18/65/66/573186566.db2.gz UMQYNIFBKFZMFT-HBNTYKKESA-N 1 3 198.310 0.611 10 0 ACAEHO CNC[C@@H](C[NH3+])c1ccc(C)o1 257962997 573186747 /nfs/dbraw/zinc/18/67/47/573186747.db2.gz BIYSJPHYPKHZAX-MRVPVSSYSA-N 1 3 168.240 0.850 10 0 ACAEHO CN1CC[C@]2(CCC[C@@H](CC[NH3+])O2)C1 686241621 573186828 /nfs/dbraw/zinc/18/68/28/573186828.db2.gz XGODVUUYVIWDIX-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@@H]1CCO[C@@H]1CN[C@H]1CC12CC2 715584605 573186864 /nfs/dbraw/zinc/18/68/64/573186864.db2.gz NQIWZDQDJXKLQW-HLTSFMKQSA-N 1 3 182.267 0.245 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[NH2+][C@H]1CC12CC2 715584605 573186870 /nfs/dbraw/zinc/18/68/70/573186870.db2.gz NQIWZDQDJXKLQW-HLTSFMKQSA-N 1 3 182.267 0.245 10 0 ACAEHO CCCN[C@@H](C)c1cnnn1CC[NH3+] 308515932 573194125 /nfs/dbraw/zinc/19/41/25/573194125.db2.gz VAJGWOSFMRYYCM-QMMMGPOBSA-N 1 3 197.286 0.297 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C2CCNCC2)CCO1 235734516 573198953 /nfs/dbraw/zinc/19/89/53/573198953.db2.gz YXZDNAAHYWTNER-GXSJLCMTSA-N 1 3 198.310 0.896 10 0 ACAEHO CN1CCN(C)[C@]2(CCC[NH2+]CC2)C1 238310987 573202465 /nfs/dbraw/zinc/20/24/65/573202465.db2.gz GULOZQMQAYYKAH-NSHDSACASA-N 1 3 197.326 0.376 10 0 ACAEHO [NH3+]C[C@H]1C[C@@H]1CNCc1cnsc1 715133491 573204707 /nfs/dbraw/zinc/20/47/07/573204707.db2.gz QEGIDQRFGOGWOB-RKDXNWHRSA-N 1 3 197.307 0.828 10 0 ACAEHO NCc1cc([C@@H]2CCC[NH2+]C2)n[nH]1 259369638 573204752 /nfs/dbraw/zinc/20/47/52/573204752.db2.gz VHCRQTJJQMFNLF-SSDOTTSWSA-N 1 3 180.255 0.335 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N1CCCN(C)CC1 82801089 573204756 /nfs/dbraw/zinc/20/47/56/573204756.db2.gz VXVNVHLYVSRDMF-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CCCOCC1 82802280 573204853 /nfs/dbraw/zinc/20/48/53/573204853.db2.gz ZBBBGHQXUMNZCE-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO FC[C@H]1CCN(CC2C[NH2+]C2)C1 642873091 573204866 /nfs/dbraw/zinc/20/48/66/573204866.db2.gz MYXCKJORNCFIAA-MRVPVSSYSA-N 1 3 172.247 0.497 10 0 ACAEHO FC[C@H]1CC[N@H+](CC2CNC2)C1 642873091 573204869 /nfs/dbraw/zinc/20/48/69/573204869.db2.gz MYXCKJORNCFIAA-MRVPVSSYSA-N 1 3 172.247 0.497 10 0 ACAEHO FC[C@H]1CC[N@@H+](CC2CNC2)C1 642873091 573204878 /nfs/dbraw/zinc/20/48/78/573204878.db2.gz MYXCKJORNCFIAA-MRVPVSSYSA-N 1 3 172.247 0.497 10 0 ACAEHO [NH3+]C[C@]1(F)CCN2CCC[C@H]21 258484266 573204881 /nfs/dbraw/zinc/20/48/81/573204881.db2.gz JMRJIKIQPUKGTC-JGVFFNPUSA-N 1 3 158.220 0.522 10 0 ACAEHO CN(C)C1CN([C@@H]2CC[C@H](C[NH3+])C2)C1 107188170 573204910 /nfs/dbraw/zinc/20/49/10/573204910.db2.gz LVABXYMEKOZWMX-VHSXEESVSA-N 1 3 197.326 0.360 10 0 ACAEHO C[NH+](C)CCCOC1(C)CNC1 125878656 573205022 /nfs/dbraw/zinc/20/50/22/573205022.db2.gz JRHBIOIKAFYPKB-UHFFFAOYSA-N 1 3 172.272 0.317 10 0 ACAEHO CC(C)(C[NH3+])N1CC(N2CCCC2)C1 107188198 573205023 /nfs/dbraw/zinc/20/50/23/573205023.db2.gz QKYCWUBTKRYOQD-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO CN(C)C1CN([C@@H]2CC[C@@H](C[NH3+])C2)C1 107188174 573207964 /nfs/dbraw/zinc/20/79/64/573207964.db2.gz LVABXYMEKOZWMX-NXEZZACHSA-N 1 3 197.326 0.360 10 0 ACAEHO CC[C@H]1CC[C@@](C[NH3+])(C2(O)CNC2)C1 85923937 573208263 /nfs/dbraw/zinc/20/82/63/573208263.db2.gz PTLUGGGZQUXFGL-VHSXEESVSA-N 1 3 198.310 0.476 10 0 ACAEHO CC[N@@H+]1C[C@@H]2CNC[C@H](C1)C2(C)F 257965361 573208283 /nfs/dbraw/zinc/20/82/83/573208283.db2.gz XVEIWZPJGDVODC-ULKQDVFKSA-N 1 3 186.274 0.886 10 0 ACAEHO CC[N@H+]1C[C@@H]2CNC[C@H](C1)C2(C)F 257965361 573208287 /nfs/dbraw/zinc/20/82/87/573208287.db2.gz XVEIWZPJGDVODC-ULKQDVFKSA-N 1 3 186.274 0.886 10 0 ACAEHO NC[C@@]1(CCO)CC[N@@H+]2CCCC[C@H]21 257762105 573214645 /nfs/dbraw/zinc/21/46/45/573214645.db2.gz PNXUODRSULMHKG-QWRGUYRKSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)CC[N@H+]2CCCC[C@H]21 257762105 573214651 /nfs/dbraw/zinc/21/46/51/573214651.db2.gz PNXUODRSULMHKG-QWRGUYRKSA-N 1 3 198.310 0.572 10 0 ACAEHO [NH3+][C@@H]1CC[C@](F)(CN2CCC2)C1 257973165 573218563 /nfs/dbraw/zinc/21/85/63/573218563.db2.gz YVNFODGFRSBNTQ-RKDXNWHRSA-N 1 3 172.247 0.912 10 0 ACAEHO Cc1nc(CC2C[NH2+]C2)c(C)[nH]1 258588729 573218043 /nfs/dbraw/zinc/21/80/43/573218043.db2.gz SYQSJGJWNMPEEO-UHFFFAOYSA-N 1 3 165.240 0.788 10 0 ACAEHO NC[C@]1(CCO)CCC[N@@H+]2CCC[C@@H]21 257762136 573218138 /nfs/dbraw/zinc/21/81/38/573218138.db2.gz PZIFTLNYQHFBGN-GHMZBOCLSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)CCC[N@H+]2CCC[C@@H]21 257762136 573218143 /nfs/dbraw/zinc/21/81/43/573218143.db2.gz PZIFTLNYQHFBGN-GHMZBOCLSA-N 1 3 198.310 0.572 10 0 ACAEHO [NH3+][C@@H]1CC[C@@](F)(CN2CCC2)C1 257973157 573218914 /nfs/dbraw/zinc/21/89/14/573218914.db2.gz YVNFODGFRSBNTQ-BDAKNGLRSA-N 1 3 172.247 0.912 10 0 ACAEHO NC[C@]1(CCO)CC[N@@H+]2CCCC[C@H]21 257762106 573218945 /nfs/dbraw/zinc/21/89/45/573218945.db2.gz PNXUODRSULMHKG-WDEREUQCSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)CC[N@H+]2CCCC[C@H]21 257762106 573218951 /nfs/dbraw/zinc/21/89/51/573218951.db2.gz PNXUODRSULMHKG-WDEREUQCSA-N 1 3 198.310 0.572 10 0 ACAEHO NCC1(C[NH2+]Cc2cc[nH]c2)COC1 259036745 573219004 /nfs/dbraw/zinc/21/90/04/573219004.db2.gz QXKMGLLJEGOALB-UHFFFAOYSA-N 1 3 195.266 0.080 10 0 ACAEHO CC[C@@H](CCO)[NH+]1CCC(N)CC1 257763228 573219269 /nfs/dbraw/zinc/21/92/69/573219269.db2.gz ZAOHBMGQKWXBES-JTQLQIEISA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)(F)C1(CN)C[NH2+]C1 258592681 573220664 /nfs/dbraw/zinc/22/06/64/573220664.db2.gz UFRHTDNGWCCDFM-UHFFFAOYSA-N 1 3 146.209 0.283 10 0 ACAEHO CC(C)(F)C1(C[NH3+])CNC1 258592681 573220672 /nfs/dbraw/zinc/22/06/72/573220672.db2.gz UFRHTDNGWCCDFM-UHFFFAOYSA-N 1 3 146.209 0.283 10 0 ACAEHO CN1C[C@@H](C2CC2)C[C@@H]1C[NH3+] 258592591 573220969 /nfs/dbraw/zinc/22/09/69/573220969.db2.gz UEBVKEIZDKSSPR-DTWKUNHWSA-N 1 3 154.257 0.675 10 0 ACAEHO CN(C)CCC1([NH3+])CCC1 82839167 573224287 /nfs/dbraw/zinc/22/42/87/573224287.db2.gz PUMVVQBYUPZCKM-UHFFFAOYSA-N 1 3 142.246 0.820 10 0 ACAEHO CN1C[C@H](C2CC2)C[C@H]1C[NH3+] 258592589 573224315 /nfs/dbraw/zinc/22/43/15/573224315.db2.gz UEBVKEIZDKSSPR-BDAKNGLRSA-N 1 3 154.257 0.675 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@@H]2NCCCO2)C1 258239616 573226971 /nfs/dbraw/zinc/22/69/71/573226971.db2.gz ZOYWWLIXUQJLKB-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@@H]2NCCCO2)C1 258239616 573226977 /nfs/dbraw/zinc/22/69/77/573226977.db2.gz ZOYWWLIXUQJLKB-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO CN(C)C[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH3+] 238321406 573229852 /nfs/dbraw/zinc/22/98/52/573229852.db2.gz LEZQUSSWQQJMAU-XFWSIPNHSA-N 1 3 168.284 0.921 10 0 ACAEHO [NH3+][C@H](C1CCOCC1)[C@H]1CCCCN1 259386651 573229653 /nfs/dbraw/zinc/22/96/53/573229653.db2.gz NKQCAEOEAUGNJW-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H](N)C12CCCCC2 238321855 573229671 /nfs/dbraw/zinc/22/96/71/573229671.db2.gz ILVDBIFVVRGADK-VHSXEESVSA-N 1 3 197.326 0.537 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H](N)C12CCCCC2 238321855 573229673 /nfs/dbraw/zinc/22/96/73/573229673.db2.gz ILVDBIFVVRGADK-VHSXEESVSA-N 1 3 197.326 0.537 10 0 ACAEHO CN(C)C[C@H]1[C@@H]2CC[C@H]1C[NH2+]2 238321454 573229776 /nfs/dbraw/zinc/22/97/76/573229776.db2.gz FSNOPUKNEUKUDN-YIZRAAEISA-N 1 3 154.257 0.546 10 0 ACAEHO CC[NH2+]CCCNC[C@@H]1C[C@H]1OC 689904378 573234333 /nfs/dbraw/zinc/23/43/33/573234333.db2.gz UDOHALKXWAOTJA-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO CCNCCC[NH2+]C[C@@H]1C[C@H]1OC 689904378 573234334 /nfs/dbraw/zinc/23/43/34/573234334.db2.gz UDOHALKXWAOTJA-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO CN1CCC([C@H](O)C[NH+](C)C)CC1 258242661 573234416 /nfs/dbraw/zinc/23/44/16/573234416.db2.gz SDNNHTXWNRNNJW-SNVBAGLBSA-N 1 3 186.299 0.251 10 0 ACAEHO CCN1CC([C@@H](F)CC[NH3+])C1 258601803 573234698 /nfs/dbraw/zinc/23/46/98/573234698.db2.gz UZYMPSGVYZEYAA-QMMMGPOBSA-N 1 3 160.236 0.625 10 0 ACAEHO CCCN(CCO)C(C)(C)C[NH3+] 50091047 573234737 /nfs/dbraw/zinc/23/47/37/573234737.db2.gz SHBLIWHFLMPTGL-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CNCc1cnc([C@H]2CCC[NH2+]C2)o1 258241912 573235246 /nfs/dbraw/zinc/23/52/46/573235246.db2.gz WIFTYBDOZHDBQC-QMMMGPOBSA-N 1 3 195.266 0.861 10 0 ACAEHO CC(C)([NH3+])CCNCCc1ncc[nH]1 308526300 573235689 /nfs/dbraw/zinc/23/56/89/573235689.db2.gz JBKXMCNNISSWIB-UHFFFAOYSA-N 1 3 196.298 0.669 10 0 ACAEHO CCC(CC)NC[C@@H]1C[NH2+]C[C@@H]1O 308526094 573235746 /nfs/dbraw/zinc/23/57/46/573235746.db2.gz XNMHGFGHBAVVJA-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC(CC)[NH2+]C[C@@H]1CNC[C@@H]1O 308526094 573235750 /nfs/dbraw/zinc/23/57/50/573235750.db2.gz XNMHGFGHBAVVJA-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO NC[C@@H]1C[NH2+]C[C@H]1CCF 259387910 573236000 /nfs/dbraw/zinc/23/60/00/573236000.db2.gz REGUZPIBNFGCGM-RNFRBKRXSA-N 1 3 146.209 0.140 10 0 ACAEHO CCCN(CCO)[C@@](C)(CC)C[NH3+] 50091947 573238662 /nfs/dbraw/zinc/23/86/62/573238662.db2.gz YXDOBWHJOGHGMF-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CC(C)CCNCN1CC[NH2+]CC1 258603371 573238749 /nfs/dbraw/zinc/23/87/49/573238749.db2.gz HUMHWDKEXYMGST-UHFFFAOYSA-N 1 3 185.315 0.485 10 0 ACAEHO NC[C@H]1C[NH2+]C[C@@H]1CCF 259387902 573238763 /nfs/dbraw/zinc/23/87/63/573238763.db2.gz REGUZPIBNFGCGM-BQBZGAKWSA-N 1 3 146.209 0.140 10 0 ACAEHO [NH3+]CCOCCN1CCC12CCC2 308520992 573240601 /nfs/dbraw/zinc/24/06/01/573240601.db2.gz OTYLGFYKVAGDHN-UHFFFAOYSA-N 1 3 184.283 0.590 10 0 ACAEHO CNCc1cnn([C@H]2CC[NH2+]C2)c1 257977088 573240984 /nfs/dbraw/zinc/24/09/84/573240984.db2.gz ZHQYIUIGRIJUAR-VIFPVBQESA-N 1 3 180.255 0.137 10 0 ACAEHO CCC[NH2+]C[C@H](C)CNC 86070457 573241448 /nfs/dbraw/zinc/24/14/48/573241448.db2.gz QOEUOWIHUBVIII-MRVPVSSYSA-N 1 3 144.262 0.842 10 0 ACAEHO C[C@H]1C[N@@H+](C(C)(C)C)[C@@H](CN)CN1C 251743895 573241538 /nfs/dbraw/zinc/24/15/38/573241538.db2.gz RQNMRJRNRFIFCZ-UWVGGRQHSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1C[N@H+](C(C)(C)C)[C@@H](CN)CN1C 251743895 573241543 /nfs/dbraw/zinc/24/15/43/573241543.db2.gz RQNMRJRNRFIFCZ-UWVGGRQHSA-N 1 3 199.342 0.748 10 0 ACAEHO CNCc1cnn([C@@H]2CC[NH2+]C2)c1 257977086 573241584 /nfs/dbraw/zinc/24/15/84/573241584.db2.gz ZHQYIUIGRIJUAR-SECBINFHSA-N 1 3 180.255 0.137 10 0 ACAEHO CC[NH2+]CCCN(C)[C@@H](CC)CO 393511429 573242618 /nfs/dbraw/zinc/24/26/18/573242618.db2.gz OJIMCDVVIBEPAH-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO C[N@H+](CCC1CCC1)C[C@@H](N)CN 259047446 573242941 /nfs/dbraw/zinc/24/29/41/573242941.db2.gz POIXEXJNJXDNFE-JTQLQIEISA-N 1 3 185.315 0.394 10 0 ACAEHO C[N@@H+](CCC1CCC1)C[C@@H](N)CN 259047446 573242947 /nfs/dbraw/zinc/24/29/47/573242947.db2.gz POIXEXJNJXDNFE-JTQLQIEISA-N 1 3 185.315 0.394 10 0 ACAEHO CN(CCC1CCC1)C[C@@H](N)C[NH3+] 259047446 573242952 /nfs/dbraw/zinc/24/29/52/573242952.db2.gz POIXEXJNJXDNFE-JTQLQIEISA-N 1 3 185.315 0.394 10 0 ACAEHO CCC[NH2+]C[C@@H](C)CNC 86070454 573243031 /nfs/dbraw/zinc/24/30/31/573243031.db2.gz QOEUOWIHUBVIII-QMMMGPOBSA-N 1 3 144.262 0.842 10 0 ACAEHO OCC1([N@@H+]2CCCNCC2)CCC1 82863410 573243052 /nfs/dbraw/zinc/24/30/52/573243052.db2.gz AROVRLKTVYKYMH-UHFFFAOYSA-N 1 3 184.283 0.197 10 0 ACAEHO OCC1([N@H+]2CCCNCC2)CCC1 82863410 573243059 /nfs/dbraw/zinc/24/30/59/573243059.db2.gz AROVRLKTVYKYMH-UHFFFAOYSA-N 1 3 184.283 0.197 10 0 ACAEHO CC[NH2+]CCCN(C)[C@H](CC)CO 393511431 573243684 /nfs/dbraw/zinc/24/36/84/573243684.db2.gz OJIMCDVVIBEPAH-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CC(C)COCCNC[C@@H](C)C[NH3+] 308320248 573245518 /nfs/dbraw/zinc/24/55/18/573245518.db2.gz ASIQTAXIZZKOKG-JTQLQIEISA-N 1 3 188.315 0.843 10 0 ACAEHO CC(C)COCCNC[C@H](C)C[NH3+] 308320249 573245747 /nfs/dbraw/zinc/24/57/47/573245747.db2.gz ASIQTAXIZZKOKG-SNVBAGLBSA-N 1 3 188.315 0.843 10 0 ACAEHO C[NH2+]C[C@H](C)CNC1CC1 86070478 573245822 /nfs/dbraw/zinc/24/58/22/573245822.db2.gz QJKDKPFDHVKSQJ-ZETCQYMHSA-N 1 3 142.246 0.594 10 0 ACAEHO C[N@H+](CCC1CCC1)C[C@H](N)CN 259047450 573245888 /nfs/dbraw/zinc/24/58/88/573245888.db2.gz POIXEXJNJXDNFE-SNVBAGLBSA-N 1 3 185.315 0.394 10 0 ACAEHO C[N@@H+](CCC1CCC1)C[C@H](N)CN 259047450 573245893 /nfs/dbraw/zinc/24/58/93/573245893.db2.gz POIXEXJNJXDNFE-SNVBAGLBSA-N 1 3 185.315 0.394 10 0 ACAEHO CN(CCC1CCC1)C[C@H](N)C[NH3+] 259047450 573245898 /nfs/dbraw/zinc/24/58/98/573245898.db2.gz POIXEXJNJXDNFE-SNVBAGLBSA-N 1 3 185.315 0.394 10 0 ACAEHO CN(C)[C@@H](CO)[C@@H]1CCC[N@H+](C)C1 259049743 573246539 /nfs/dbraw/zinc/24/65/39/573246539.db2.gz LKVWIHDBFPKDNP-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@@H](CO)[C@@H]1CCC[N@@H+](C)C1 259049743 573246544 /nfs/dbraw/zinc/24/65/44/573246544.db2.gz LKVWIHDBFPKDNP-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO CC(C)[C@@H](CCO)[NH2+]C[C@@H](C)CN 308322095 573246763 /nfs/dbraw/zinc/24/67/63/573246763.db2.gz BYFXSTAKRIUJAV-VHSXEESVSA-N 1 3 188.315 0.578 10 0 ACAEHO NC[C@@H](C[NH+]1CCCC1)[C@@H]1CCOC1 258247343 573249205 /nfs/dbraw/zinc/24/92/05/573249205.db2.gz SKWHUMARYVPHRN-MNOVXSKESA-N 1 3 198.310 0.694 10 0 ACAEHO COCNCC[C@H]1CCC[N@H+](C)C1 259048270 573249275 /nfs/dbraw/zinc/24/92/75/573249275.db2.gz JRTIDDCVFTVGBF-SNVBAGLBSA-N 1 3 186.299 0.912 10 0 ACAEHO COCNCC[C@H]1CCC[N@@H+](C)C1 259048270 573249282 /nfs/dbraw/zinc/24/92/82/573249282.db2.gz JRTIDDCVFTVGBF-SNVBAGLBSA-N 1 3 186.299 0.912 10 0 ACAEHO CC[C@H]([NH2+]C)C1(CNC)CC1 259392481 573249716 /nfs/dbraw/zinc/24/97/16/573249716.db2.gz MJQDIZRTZULHOO-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[N@@H+]1C[C@@H](CN)[C@@H](N)C12CCCCC2 238317314 573249740 /nfs/dbraw/zinc/24/97/40/573249740.db2.gz ILVDBIFVVRGADK-NXEZZACHSA-N 1 3 197.326 0.537 10 0 ACAEHO C[N@H+]1C[C@@H](CN)[C@@H](N)C12CCCCC2 238317314 573249745 /nfs/dbraw/zinc/24/97/45/573249745.db2.gz ILVDBIFVVRGADK-NXEZZACHSA-N 1 3 197.326 0.537 10 0 ACAEHO NC[C@H](C[NH+]1CCCC1)[C@@H]1CCOC1 258247339 573251536 /nfs/dbraw/zinc/25/15/36/573251536.db2.gz SKWHUMARYVPHRN-GHMZBOCLSA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@H]1CCC[C@H]1O 308328125 573253886 /nfs/dbraw/zinc/25/38/86/573253886.db2.gz IHBWWAYFDRLQQH-KXUCPTDWSA-N 1 3 186.299 0.332 10 0 ACAEHO C[C@H](CN)C[NH2+]C(C)(C)C(C)(C)O 308328304 573253983 /nfs/dbraw/zinc/25/39/83/573253983.db2.gz ILMWXBAUQNNMNY-MRVPVSSYSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@H](CO)CCC[NH2+]C[C@H](C)CN 308327938 573255552 /nfs/dbraw/zinc/25/55/52/573255552.db2.gz IDOSEUKRHZCJJT-VHSXEESVSA-N 1 3 188.315 0.579 10 0 ACAEHO C[C@@H](N(C)C[C@H](O)C[NH3+])C(C)(C)C 42746927 573257029 /nfs/dbraw/zinc/25/70/29/573257029.db2.gz QTZOUVDPFYHRGC-RKDXNWHRSA-N 1 3 188.315 0.672 10 0 ACAEHO CN1CCC(C(=O)C2CC([NH3+])C2)CC1 259053275 573257128 /nfs/dbraw/zinc/25/71/28/573257128.db2.gz CCIJFOIPEVSGHO-UHFFFAOYSA-N 1 3 196.294 0.635 10 0 ACAEHO CN1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 259056189 573257207 /nfs/dbraw/zinc/25/72/07/573257207.db2.gz QTSFTYHLPKZSBU-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CCC[N@H+](CC)CC[C@@](C)(N)CO 82886157 573257222 /nfs/dbraw/zinc/25/72/22/573257222.db2.gz MBRMYCHNXAGSSZ-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCC[N@@H+](CC)CC[C@@](C)(N)CO 82886157 573257231 /nfs/dbraw/zinc/25/72/31/573257231.db2.gz MBRMYCHNXAGSSZ-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCCN(CC)CC[C@@](C)([NH3+])CO 82886157 573257237 /nfs/dbraw/zinc/25/72/37/573257237.db2.gz MBRMYCHNXAGSSZ-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO C[C@](N)(CO)CC[NH+]1CCCCC1 82882522 573257307 /nfs/dbraw/zinc/25/73/07/573257307.db2.gz SGCJWHGSLGTNDV-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@@H]1CN(CCN(C)C)CCCC[NH2+]1 259397177 573257838 /nfs/dbraw/zinc/25/78/38/573257838.db2.gz MAIISCDLFLILSF-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN1CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 259056191 573257907 /nfs/dbraw/zinc/25/79/07/573257907.db2.gz QTSFTYHLPKZSBU-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO C[C@H](CO)[C@@H](C)[NH2+][C@H](C)C1CNC1 686243956 573259886 /nfs/dbraw/zinc/25/98/86/573259886.db2.gz WZOVOPGDNDJGPF-IWSPIJDZSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](CO)[C@@H](C)N[C@H](C)C1C[NH2+]C1 686243956 573259892 /nfs/dbraw/zinc/25/98/92/573259892.db2.gz WZOVOPGDNDJGPF-IWSPIJDZSA-N 1 3 186.299 0.201 10 0 ACAEHO CN[C@H](CO)CC[N@@H+]1CC[C@H](C)C1 82887324 573259910 /nfs/dbraw/zinc/25/99/10/573259910.db2.gz JGVCSKDAXGRHDL-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@H](CO)CC[N@H+]1CC[C@H](C)C1 82887324 573259916 /nfs/dbraw/zinc/25/99/16/573259916.db2.gz JGVCSKDAXGRHDL-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+][C@H](CO)CCN1CC[C@H](C)C1 82887324 573259917 /nfs/dbraw/zinc/25/99/17/573259917.db2.gz JGVCSKDAXGRHDL-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H]1CN(CCN(C)C)CCCC[NH2+]1 259397181 573261092 /nfs/dbraw/zinc/26/10/92/573261092.db2.gz MAIISCDLFLILSF-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H](C[NH3+])[C@H](N)c1cc[nH]c1 259393989 573261138 /nfs/dbraw/zinc/26/11/38/573261138.db2.gz LNLIVIQNZRLFNC-APPZFPTMSA-N 1 3 167.256 0.999 10 0 ACAEHO CC[C@@H](C[NH3+])[C@@H](N)c1cc[nH]c1 259393996 573261300 /nfs/dbraw/zinc/26/13/00/573261300.db2.gz LNLIVIQNZRLFNC-IONNQARKSA-N 1 3 167.256 0.999 10 0 ACAEHO C[C@H](CO)[C@H](C)[NH2+][C@H](C)C1CNC1 686243955 573261385 /nfs/dbraw/zinc/26/13/85/573261385.db2.gz WZOVOPGDNDJGPF-HRDYMLBCSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](CO)[C@H](C)N[C@H](C)C1C[NH2+]C1 686243955 573261391 /nfs/dbraw/zinc/26/13/91/573261391.db2.gz WZOVOPGDNDJGPF-HRDYMLBCSA-N 1 3 186.299 0.201 10 0 ACAEHO CCO[C@]1(C[NH3+])CCCNC1 257984816 573261435 /nfs/dbraw/zinc/26/14/35/573261435.db2.gz BGTVTYMQBSNHRV-QMMMGPOBSA-N 1 3 158.245 0.104 10 0 ACAEHO C[C@](O)(C[NH3+])CN1CCCCC1 82906651 573270429 /nfs/dbraw/zinc/27/04/29/573270429.db2.gz LXUNMUVUQIGINE-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO CC[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750467 573270661 /nfs/dbraw/zinc/27/06/61/573270661.db2.gz KXKUCKIEIRLGGM-GYIHNLGQSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750467 573270667 /nfs/dbraw/zinc/27/06/67/573270667.db2.gz KXKUCKIEIRLGGM-GYIHNLGQSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)CN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750467 573270673 /nfs/dbraw/zinc/27/06/73/573270673.db2.gz KXKUCKIEIRLGGM-GYIHNLGQSA-N 1 3 198.310 0.711 10 0 ACAEHO CNC[C@H](C[NH3+])c1ccncc1 258273384 573272978 /nfs/dbraw/zinc/27/29/78/573272978.db2.gz MWODEIZBROENPM-VIFPVBQESA-N 1 3 165.240 0.343 10 0 ACAEHO CN1CC[C@@]2(C[C@H](CC[NH3+])CCO2)C1 74236954 573273041 /nfs/dbraw/zinc/27/30/41/573273041.db2.gz PCHRGCQULUXHKR-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])[C@@H]1CCOC1 258270120 573273137 /nfs/dbraw/zinc/27/31/37/573273137.db2.gz UMRKHCTVZHSUBU-RKDXNWHRSA-N 1 3 172.272 0.159 10 0 ACAEHO [NH3+]C[C@H]([C@@H]1CCCOC1)N1CCCC1 74237002 573273204 /nfs/dbraw/zinc/27/32/04/573273204.db2.gz WMCIIRCMYMKDJF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C1CCC(N[C@H]2CCCN2)=[NH+]C1 257778919 573273309 /nfs/dbraw/zinc/27/33/09/573273309.db2.gz ICPNHXFJBQEJHV-VIFPVBQESA-N 1 3 167.256 0.868 10 0 ACAEHO CC(C)N(C)C[C@@](C)(O)C[NH3+] 82915399 573275877 /nfs/dbraw/zinc/27/58/77/573275877.db2.gz IKUNQWJIBDVYDL-QMMMGPOBSA-N 1 3 160.261 0.036 10 0 ACAEHO [NH3+]C[C@]1(NCCO)CCC[C@@H]2C[C@@H]21 393579690 573275923 /nfs/dbraw/zinc/27/59/23/573275923.db2.gz FOFSJAWFCGQYPF-KXUCPTDWSA-N 1 3 184.283 0.086 10 0 ACAEHO C[NH2+]C[C@H](O)c1[nH]ccc1CN(C)C 74239247 573276034 /nfs/dbraw/zinc/27/60/34/573276034.db2.gz ZUPRJTAZNHLYQB-VIFPVBQESA-N 1 3 197.282 0.329 10 0 ACAEHO CN[C@@H]1CCC[C@H]2[NH2+]CC[C@H]12 238331310 573276089 /nfs/dbraw/zinc/27/60/89/573276089.db2.gz PDGQWTNCCBJJEO-IWSPIJDZSA-N 1 3 154.257 0.736 10 0 ACAEHO CC(C)N(C)C[C@](C)(O)C[NH3+] 82915398 573276208 /nfs/dbraw/zinc/27/62/08/573276208.db2.gz IKUNQWJIBDVYDL-MRVPVSSYSA-N 1 3 160.261 0.036 10 0 ACAEHO C[C@@H]1CN([C@H]2CCCCN2)CCC[NH2+]1 257991674 573277258 /nfs/dbraw/zinc/27/72/58/573277258.db2.gz FSEISYJBKAFJGZ-MNOVXSKESA-N 1 3 197.326 0.770 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCCN2)CCC[NH2+]1 257991670 573279123 /nfs/dbraw/zinc/27/91/23/573279123.db2.gz FSEISYJBKAFJGZ-GHMZBOCLSA-N 1 3 197.326 0.770 10 0 ACAEHO F[C@H]1C[NH2+]C2(CCNCC2)C1 257990385 573279557 /nfs/dbraw/zinc/27/95/57/573279557.db2.gz FJEPPUNDVPAFCT-SSDOTTSWSA-N 1 3 158.220 0.440 10 0 ACAEHO C[C@H](C[NH3+])C(=O)[C@@H]1CCN(C)C1 259065213 573281189 /nfs/dbraw/zinc/28/11/89/573281189.db2.gz DARWTXCXWOPHRQ-HTQZYQBOSA-N 1 3 170.256 0.102 10 0 ACAEHO C1CCCN(CN2CC[NH2+]CC2)CC1 258619216 573281244 /nfs/dbraw/zinc/28/12/44/573281244.db2.gz JIAPAMUBGJIOJC-UHFFFAOYSA-N 1 3 197.326 0.725 10 0 ACAEHO CC(C)CC[N@H+](C)C[C@H](N)CN 259066013 573281639 /nfs/dbraw/zinc/28/16/39/573281639.db2.gz QJXIQIQDCKRQBK-SECBINFHSA-N 1 3 173.304 0.250 10 0 ACAEHO CC(C)CC[N@@H+](C)C[C@H](N)CN 259066013 573281645 /nfs/dbraw/zinc/28/16/45/573281645.db2.gz QJXIQIQDCKRQBK-SECBINFHSA-N 1 3 173.304 0.250 10 0 ACAEHO CC(C)CCN(C)C[C@H](N)C[NH3+] 259066013 573281649 /nfs/dbraw/zinc/28/16/49/573281649.db2.gz QJXIQIQDCKRQBK-SECBINFHSA-N 1 3 173.304 0.250 10 0 ACAEHO CC[NH2+]C[C@@H]1CCC[C@@H]1N 82922288 573283647 /nfs/dbraw/zinc/28/36/47/573283647.db2.gz ZMOQHAXEUVRPQR-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO N=C(NC(N)=[NH2+])c1ccccc1 116439605 573283890 /nfs/dbraw/zinc/28/38/90/573283890.db2.gz IGHJTYXXPIOOIO-UHFFFAOYSA-N 1 3 162.196 0.495 10 0 ACAEHO [NH3+]CCCc1coc([C@H]2CCCN2)n1 257992276 573283928 /nfs/dbraw/zinc/28/39/28/573283928.db2.gz IBHMNYQBNBZFBE-SECBINFHSA-N 1 3 195.266 0.990 10 0 ACAEHO CC(C)C[C@H]([NH3+])C[C@H]1CNCCO1 259402979 573284593 /nfs/dbraw/zinc/28/45/93/573284593.db2.gz LWEQBCYDKLPRHI-UWVGGRQHSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+]C[C@H]1CCCC[C@H]1N 82922279 573284670 /nfs/dbraw/zinc/28/46/70/573284670.db2.gz YSIIKFWNOHVZCU-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CNC[C@H]1CCCC[C@H]1[NH3+] 82922279 573284678 /nfs/dbraw/zinc/28/46/78/573284678.db2.gz YSIIKFWNOHVZCU-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO Cc1ccc(CNC[C@@H]([NH3+])CN)cc1 259069799 573284698 /nfs/dbraw/zinc/28/46/98/573284698.db2.gz XDLGQYYZJVDISN-NSHDSACASA-N 1 3 193.294 0.371 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@@H](CN2CCC2)O1 308538821 573284722 /nfs/dbraw/zinc/28/47/22/573284722.db2.gz NBTJQQFLPIWFHP-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)C[C@H]([NH3+])C[C@@H]1CNCCO1 259402981 573285114 /nfs/dbraw/zinc/28/51/14/573285114.db2.gz LWEQBCYDKLPRHI-VHSXEESVSA-N 1 3 186.299 0.738 10 0 ACAEHO CN(C)CCc1cnc(CC[NH3+])cn1 74245881 573285219 /nfs/dbraw/zinc/28/52/19/573285219.db2.gz UMYKHPVBVPEHGD-UHFFFAOYSA-N 1 3 194.282 0.082 10 0 ACAEHO CC(C)C[C@@H]([NH3+])C[C@H]1CNCCO1 259402983 573285222 /nfs/dbraw/zinc/28/52/22/573285222.db2.gz LWEQBCYDKLPRHI-ZJUUUORDSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@]1([C@@H]2CCC[NH2+]2)CCCN1 258490407 573285487 /nfs/dbraw/zinc/28/54/87/573285487.db2.gz KCWZAYNOKOULDT-DTWKUNHWSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@]1([C@@H]2CCCN2)CCC[NH2+]1 258490407 573285495 /nfs/dbraw/zinc/28/54/95/573285495.db2.gz KCWZAYNOKOULDT-DTWKUNHWSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@H](C[NH3+])c1coc(CCN(C)C)n1 258279224 573286080 /nfs/dbraw/zinc/28/60/80/573286080.db2.gz YIEAHZGQGQZXKN-MRVPVSSYSA-N 1 3 197.282 0.841 10 0 ACAEHO C[NH+]1CCC([C@@H](F)CN)CC1 258490383 573286139 /nfs/dbraw/zinc/28/61/39/573286139.db2.gz KBJRZMLUBZAQPI-QMMMGPOBSA-N 1 3 160.236 0.625 10 0 ACAEHO CNC(=[NH2+])N(C)C[C@H]1CCCN1C 86189305 573286305 /nfs/dbraw/zinc/28/63/05/573286305.db2.gz NIYGVBNPJPKVIM-MRVPVSSYSA-N 1 3 184.287 0.167 10 0 ACAEHO C[C@]1([C@H]2CCC[NH2+]2)CCCN1 258490409 573286451 /nfs/dbraw/zinc/28/64/51/573286451.db2.gz KCWZAYNOKOULDT-RKDXNWHRSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@]1([C@H]2CCCN2)CCC[NH2+]1 258490409 573286458 /nfs/dbraw/zinc/28/64/58/573286458.db2.gz KCWZAYNOKOULDT-RKDXNWHRSA-N 1 3 154.257 0.881 10 0 ACAEHO C[NH+]1CCC([C@H](F)CN)CC1 258490382 573286480 /nfs/dbraw/zinc/28/64/80/573286480.db2.gz KBJRZMLUBZAQPI-MRVPVSSYSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@H](N)c1coc(CC[NH+](C)C)n1 258276919 573288135 /nfs/dbraw/zinc/28/81/35/573288135.db2.gz YEMPENKTSOIONI-ZETCQYMHSA-N 1 3 183.255 0.798 10 0 ACAEHO C[C@@]1([C@H]2CCC[NH2+]2)CCCN1 258490406 573288295 /nfs/dbraw/zinc/28/82/95/573288295.db2.gz KCWZAYNOKOULDT-BDAKNGLRSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@@]1([C@H]2CCCN2)CCC[NH2+]1 258490406 573288299 /nfs/dbraw/zinc/28/82/99/573288299.db2.gz KCWZAYNOKOULDT-BDAKNGLRSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@@H](N)c1coc(CC[NH+](C)C)n1 258276914 573290575 /nfs/dbraw/zinc/29/05/75/573290575.db2.gz YEMPENKTSOIONI-SSDOTTSWSA-N 1 3 183.255 0.798 10 0 ACAEHO CN1CCC[C@@H]1[C@@H]1C[NH2+][C@](C)(CO)C1 258280047 573290669 /nfs/dbraw/zinc/29/06/69/573290669.db2.gz SNQPUAMFENGAPT-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO CN1CCC[C@@H]1[C@@H]1C[NH2+][C@@](C)(CO)C1 258280051 573290682 /nfs/dbraw/zinc/29/06/82/573290682.db2.gz SNQPUAMFENGAPT-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO CN1CC[C@H](C(=O)[C@@H]2CC[NH2+]C2)C1 259071515 573290849 /nfs/dbraw/zinc/29/08/49/573290849.db2.gz DRQLJRVWDGVTPH-BDAKNGLRSA-N 1 3 182.267 0.117 10 0 ACAEHO C[C@@H](C[NH3+])CC(=O)[C@H]1CCN(C)C1 259073413 573293973 /nfs/dbraw/zinc/29/39/73/573293973.db2.gz DSIUGIJMALFLQH-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@@H](N)COC)C1 257995766 573294034 /nfs/dbraw/zinc/29/40/34/573294034.db2.gz DNANFYUSMBGDME-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@@H](N)COC)C1 257995766 573294038 /nfs/dbraw/zinc/29/40/38/573294038.db2.gz DNANFYUSMBGDME-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO C[N@@H+]1CCC[C@H]1C[C@@H](F)CN 258622614 573294041 /nfs/dbraw/zinc/29/40/41/573294041.db2.gz WXDZEIICEQOBOY-SFYZADRCSA-N 1 3 160.236 0.768 10 0 ACAEHO CCN1CC[C@H]([C@@H]([NH3+])COC)C1 257995766 573294042 /nfs/dbraw/zinc/29/40/42/573294042.db2.gz DNANFYUSMBGDME-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO C[N@H+]1CCC[C@H]1C[C@@H](F)CN 258622614 573294044 /nfs/dbraw/zinc/29/40/44/573294044.db2.gz WXDZEIICEQOBOY-SFYZADRCSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@@H](N)c1coc(C[C@H]2CC[NH2+]C2)n1 257996664 573294117 /nfs/dbraw/zinc/29/41/17/573294117.db2.gz IJIBHIHAPUMOLD-HTQZYQBOSA-N 1 3 195.266 0.846 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@H](N)COC)C1 257995769 573294180 /nfs/dbraw/zinc/29/41/80/573294180.db2.gz DNANFYUSMBGDME-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@H](N)COC)C1 257995769 573294183 /nfs/dbraw/zinc/29/41/83/573294183.db2.gz DNANFYUSMBGDME-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN1CC[C@@H]([C@H]([NH3+])COC)C1 257995769 573294188 /nfs/dbraw/zinc/29/41/88/573294188.db2.gz DNANFYUSMBGDME-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CN1CCC[C@H](C(=O)C2(C[NH3+])CC2)C1 259071514 573294310 /nfs/dbraw/zinc/29/43/10/573294310.db2.gz DRPGNEKHOABKOU-VIFPVBQESA-N 1 3 196.294 0.636 10 0 ACAEHO NC1([C@H]2CC[NH2+]C23CC3)CC1 258622445 573296562 /nfs/dbraw/zinc/29/65/62/573296562.db2.gz WUQVLSWJSJRSBQ-SSDOTTSWSA-N 1 3 152.241 0.620 10 0 ACAEHO CN(CC1CCCC1)C[C@H](N)C[NH3+] 259072184 573296575 /nfs/dbraw/zinc/29/65/75/573296575.db2.gz QTYVEHZQGBVCHD-SNVBAGLBSA-N 1 3 185.315 0.394 10 0 ACAEHO CN1[C@H]2CC[C@@H]1[C@H]1C[NH2+]C[C@@H]21 238335497 573298162 /nfs/dbraw/zinc/29/81/62/573298162.db2.gz BRULRIFZNCHLMK-OJOKCITNSA-N 1 3 152.241 0.298 10 0 ACAEHO C[NH2+]CC/C=C\CN1CCN(C)CC1 257998796 573298169 /nfs/dbraw/zinc/29/81/69/573298169.db2.gz AGNRKBVPBZNYDB-HYXAFXHYSA-N 1 3 197.326 0.400 10 0 ACAEHO CNC1(C2CC[NH+](C)CC2)COC1 259076134 573298183 /nfs/dbraw/zinc/29/81/83/573298183.db2.gz CPDMUJDOBZDGBL-UHFFFAOYSA-N 1 3 184.283 0.317 10 0 ACAEHO CC[C@@H]1COC[C@@H]1N[C@H](C)C1C[NH2+]C1 686252820 573306036 /nfs/dbraw/zinc/30/60/36/573306036.db2.gz SFDOAWJQKIEYJP-KKZNHRDASA-N 1 3 198.310 0.609 10 0 ACAEHO CC[C@@H]1COC[C@@H]1[NH2+][C@H](C)C1CNC1 686252820 573306042 /nfs/dbraw/zinc/30/60/42/573306042.db2.gz SFDOAWJQKIEYJP-KKZNHRDASA-N 1 3 198.310 0.609 10 0 ACAEHO CC[C@H](CO)[C@@H]([NH3+])[C@H]1CCN(C)C1 259411882 573308142 /nfs/dbraw/zinc/30/81/42/573308142.db2.gz MHQAFXFALHRQBJ-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO CC[C@@H]1COC[C@H]1N[C@@H](C)C1C[NH2+]C1 686252819 573308159 /nfs/dbraw/zinc/30/81/59/573308159.db2.gz SFDOAWJQKIEYJP-IQJOONFLSA-N 1 3 198.310 0.609 10 0 ACAEHO CC[C@H](CO)[C@@H]([NH3+])[C@@H]1CCN(C)C1 259411884 573308162 /nfs/dbraw/zinc/30/81/62/573308162.db2.gz MHQAFXFALHRQBJ-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO CC[C@@H]1COC[C@H]1[NH2+][C@@H](C)C1CNC1 686252819 573308164 /nfs/dbraw/zinc/30/81/64/573308164.db2.gz SFDOAWJQKIEYJP-IQJOONFLSA-N 1 3 198.310 0.609 10 0 ACAEHO [NH3+]C[C@@H](CNC1CC1)c1cccnc1 258000039 573308176 /nfs/dbraw/zinc/30/81/76/573308176.db2.gz DRJVPDALUBEYFH-JTQLQIEISA-N 1 3 191.278 0.876 10 0 ACAEHO C[N@@H+]1CCCN[C@@H](C2CC2)C1 82942047 573310018 /nfs/dbraw/zinc/31/00/18/573310018.db2.gz FGBFSGPRKUIPHE-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CCCN[C@@H](C2CC2)C1 82942047 573310023 /nfs/dbraw/zinc/31/00/23/573310023.db2.gz FGBFSGPRKUIPHE-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CCC[C@@H]([C@@H]([NH3+])CCO)C1 238346829 573310153 /nfs/dbraw/zinc/31/01/53/573310153.db2.gz KSWSLADFDYTNPK-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO COCC[N@@H+]1C[C@H](C)NCC[C@@H]1C 82942649 573310178 /nfs/dbraw/zinc/31/01/78/573310178.db2.gz ZZAIHIJRQCSCJD-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO COCC[N@H+]1C[C@H](C)NCC[C@@H]1C 82942649 573310182 /nfs/dbraw/zinc/31/01/82/573310182.db2.gz ZZAIHIJRQCSCJD-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H]1CCNCC[N@@H+]1[C@@H]1CCOC1 82942879 573310266 /nfs/dbraw/zinc/31/02/66/573310266.db2.gz FDHMVKREUIBIQK-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1CCNCC[N@H+]1[C@@H]1CCOC1 82942879 573310268 /nfs/dbraw/zinc/31/02/68/573310268.db2.gz FDHMVKREUIBIQK-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO CN1CCC[C@@H](C[C@@H](O)C[NH3+])C1 238346072 573311731 /nfs/dbraw/zinc/31/17/31/573311731.db2.gz JWWOJJTYPDHABN-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[NH2+][C@@H](c1ccc[nH]1)C1(CN)COC1 259413038 573314342 /nfs/dbraw/zinc/31/43/42/573314342.db2.gz XSXRCOOQZJGSLV-VIFPVBQESA-N 1 3 195.266 0.251 10 0 ACAEHO CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCC[NH3+] 82945430 573314467 /nfs/dbraw/zinc/31/44/67/573314467.db2.gz JFOVUDHMSATNLD-BBBLOLIVSA-N 1 3 198.310 0.738 10 0 ACAEHO CC(C)(C)NC[C@@](C)(O)[C@@H]1C=CC[NH2+]1 308552939 573323811 /nfs/dbraw/zinc/32/38/11/573323811.db2.gz QYZNNKPNFBDWQI-GXSJLCMTSA-N 1 3 198.310 0.654 10 0 ACAEHO CC(C)(C)[NH2+]C[C@@](C)(O)[C@@H]1C=CCN1 308552939 573323819 /nfs/dbraw/zinc/32/38/19/573323819.db2.gz QYZNNKPNFBDWQI-GXSJLCMTSA-N 1 3 198.310 0.654 10 0 ACAEHO CN(C)CCN1CC[NH2+]CC2(CC2)C1 106874807 573323851 /nfs/dbraw/zinc/32/38/51/573323851.db2.gz JSWNULSZCGYZMZ-UHFFFAOYSA-N 1 3 197.326 0.233 10 0 ACAEHO C[C@@H]1[C@H](C[NH3+])C2CCN1CC2 259418262 573323866 /nfs/dbraw/zinc/32/38/66/573323866.db2.gz SRONFQHJEASGQL-APPZFPTMSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1[C@H](CN)C2CC[NH+]1CC2 259418262 573323871 /nfs/dbraw/zinc/32/38/71/573323871.db2.gz SRONFQHJEASGQL-APPZFPTMSA-N 1 3 154.257 0.675 10 0 ACAEHO CC(C)(O)CCN1CCC([NH3+])CC1 86233650 573324085 /nfs/dbraw/zinc/32/40/85/573324085.db2.gz WWIIKLVVODLNAH-UHFFFAOYSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)CCNC[C@H]1C[NH2+]C[C@H]1O 308550042 573328217 /nfs/dbraw/zinc/32/82/17/573328217.db2.gz UZKOEGRFEXANTA-VHSXEESVSA-N 1 3 186.299 0.202 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])C(C)(C)O)C1 259418033 573328345 /nfs/dbraw/zinc/32/83/45/573328345.db2.gz MPPPMKCOWYKCLV-HTQZYQBOSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1[C@@H](C[NH3+])C2CCN1CC2 259418265 573328363 /nfs/dbraw/zinc/32/83/63/573328363.db2.gz SRONFQHJEASGQL-VXNVDRBHSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1[C@@H](CN)C2CC[NH+]1CC2 259418265 573328368 /nfs/dbraw/zinc/32/83/68/573328368.db2.gz SRONFQHJEASGQL-VXNVDRBHSA-N 1 3 154.257 0.675 10 0 ACAEHO CO[C@@H]1C[C@@H](NCC[NH3+])C12CCC2 308348752 573328373 /nfs/dbraw/zinc/32/83/73/573328373.db2.gz RREXTXXAUBZWCB-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC1(C)C(NCC[NH3+])C1(C)C 86241140 573328374 /nfs/dbraw/zinc/32/83/74/573328374.db2.gz OFMRBGVPNGZSBC-UHFFFAOYSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H]1CN([C@@H]2CC[NH2+]C2)CCCN1C 258002940 573328383 /nfs/dbraw/zinc/32/83/83/573328383.db2.gz GGPPHZDUFMFOEG-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CO[C@@H]1C[NH2+][C@H](CN[C@@H]2CC[C@@H]2C)C1 308549726 573331106 /nfs/dbraw/zinc/33/11/06/573331106.db2.gz RGJXXXFKZWFARS-XWLWVQCSSA-N 1 3 198.310 0.751 10 0 ACAEHO CO[C@@H](C)CNC[C@H](C)C[NH+](C)C 308349224 573331114 /nfs/dbraw/zinc/33/11/14/573331114.db2.gz XMWVEISQXURDLA-UWVGGRQHSA-N 1 3 188.315 0.809 10 0 ACAEHO N[C@H](c1ccccn1)C1CC([NH3+])C1 259423274 573337416 /nfs/dbraw/zinc/33/74/16/573337416.db2.gz PCTWBRQXELRZGS-KTOWXAHTSA-N 1 3 177.251 0.819 10 0 ACAEHO CC[C@@H](C[C@@H](C)N)[NH2+]C 259421876 573338797 /nfs/dbraw/zinc/33/87/97/573338797.db2.gz MTMIVBYCUKUBFR-RQJHMYQMSA-N 1 3 130.235 0.722 10 0 ACAEHO CCC[C@@H]([NH3+])C[C@H]1CNCCO1 259421877 573338939 /nfs/dbraw/zinc/33/89/39/573338939.db2.gz MTNLQTRPHZRDOI-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO C1CNCC2(CCCC2)[NH2+]C1 82960977 573338953 /nfs/dbraw/zinc/33/89/53/573338953.db2.gz QTPNWONWOKCAES-UHFFFAOYSA-N 1 3 154.257 0.882 10 0 ACAEHO C1CNC2(CCCC2)C[NH2+]C1 82960977 573338957 /nfs/dbraw/zinc/33/89/57/573338957.db2.gz QTPNWONWOKCAES-UHFFFAOYSA-N 1 3 154.257 0.882 10 0 ACAEHO COCC[N@@H+]1C[C@@H](CN)CC1(C)C 259422258 573339065 /nfs/dbraw/zinc/33/90/65/573339065.db2.gz NMYJLACMGDUUTP-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO C1CN[C@@H](C2CC2)C[NH2+]C1 82960986 573339066 /nfs/dbraw/zinc/33/90/66/573339066.db2.gz FJIHGXKQOGGRPX-MRVPVSSYSA-N 1 3 140.230 0.348 10 0 ACAEHO COCC[N@H+]1C[C@@H](CN)CC1(C)C 259422258 573339072 /nfs/dbraw/zinc/33/90/72/573339072.db2.gz NMYJLACMGDUUTP-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCC[C@H]([NH3+])C[C@@H]1CNCCO1 259421880 573339163 /nfs/dbraw/zinc/33/91/63/573339163.db2.gz MTNLQTRPHZRDOI-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO [NH3+][C@@H]1CCN2CCC[C@H]2[C@H]1F 258633321 573339199 /nfs/dbraw/zinc/33/91/99/573339199.db2.gz YAXOQXSUMOPEMO-CSMHCCOUSA-N 1 3 158.220 0.520 10 0 ACAEHO CO[C@H]1C[C@H](C[NH2+]CC2(C)CNC2)C1 714674579 573339201 /nfs/dbraw/zinc/33/92/01/573339201.db2.gz HYNGMPGJYSAMQI-MGCOHNPYSA-N 1 3 198.310 0.611 10 0 ACAEHO CSCC[C@H](C[NH3+])NC1CC1 50271344 573341737 /nfs/dbraw/zinc/34/17/37/573341737.db2.gz HLTMXTKLGFERGV-MRVPVSSYSA-N 1 3 174.313 0.819 10 0 ACAEHO COCC[C@@](C)(C[NH3+])NC1CC1 50271378 573341782 /nfs/dbraw/zinc/34/17/82/573341782.db2.gz XTYSMXIQDMTKHM-VIFPVBQESA-N 1 3 172.272 0.492 10 0 ACAEHO CCN1CCC[C@H]1N1CC[NH2+][C@@H](C)C1 258292411 573341966 /nfs/dbraw/zinc/34/19/66/573341966.db2.gz VTUBHAJXWRTDKW-WDEREUQCSA-N 1 3 197.326 0.722 10 0 ACAEHO C[C@@H](CN[C@H]1CCOC1)C[NH+](C)C 308352611 573343849 /nfs/dbraw/zinc/34/38/49/573343849.db2.gz ZENWDOLMDUKMDR-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO [NH3+]C[C@@H](NC1CC1)[C@H]1CCOC1 50271232 573343285 /nfs/dbraw/zinc/34/32/85/573343285.db2.gz IUQLQVXSDILQTC-IONNQARKSA-N 1 3 170.256 0.102 10 0 ACAEHO CCN1CCC[C@H]1N1CC[NH2+][C@H](C)C1 258292401 573343535 /nfs/dbraw/zinc/34/35/35/573343535.db2.gz VTUBHAJXWRTDKW-GHMZBOCLSA-N 1 3 197.326 0.722 10 0 ACAEHO C[C@H](CN[C@H]1CCOC1)C[NH+](C)C 308352614 573343579 /nfs/dbraw/zinc/34/35/79/573343579.db2.gz ZENWDOLMDUKMDR-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H]1C[C@H](O)C1(C)C 308352558 573343643 /nfs/dbraw/zinc/34/36/43/573343643.db2.gz ZCYIIZNCWFFFGZ-VGMNWLOBSA-N 1 3 186.299 0.330 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1C[C@H](O)C1(C)C 308352558 573343646 /nfs/dbraw/zinc/34/36/46/573343646.db2.gz ZCYIIZNCWFFFGZ-VGMNWLOBSA-N 1 3 186.299 0.330 10 0 ACAEHO C[NH2+]C/C=C\CN1CCN(C)CC1 258292279 573343742 /nfs/dbraw/zinc/34/37/42/573343742.db2.gz UBDUQJRYJMILPO-ARJAWSKDSA-N 1 3 183.299 0.009 10 0 ACAEHO [NH3+]C[C@H](NC1CC1)[C@@H]1CCOC1 50271229 573343835 /nfs/dbraw/zinc/34/38/35/573343835.db2.gz IUQLQVXSDILQTC-APPZFPTMSA-N 1 3 170.256 0.102 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)[C@H]1CCN(C)C1 308557430 573344494 /nfs/dbraw/zinc/34/44/94/573344494.db2.gz BYBONMGJVIBXKZ-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)[C@@H]1CCN(C)C1 308557428 573344834 /nfs/dbraw/zinc/34/48/34/573344834.db2.gz BYBONMGJVIBXKZ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC(C)N1CC[C@@](CN)([NH2+]C2CC2)C1 50271385 573344980 /nfs/dbraw/zinc/34/49/80/573344980.db2.gz CZAVAJFHWVGJRX-NSHDSACASA-N 1 3 197.326 0.550 10 0 ACAEHO CC(C)N1CC[C@@](C[NH3+])(NC2CC2)C1 50271385 573344987 /nfs/dbraw/zinc/34/49/87/573344987.db2.gz CZAVAJFHWVGJRX-NSHDSACASA-N 1 3 197.326 0.550 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])CF 107115250 573344999 /nfs/dbraw/zinc/34/49/99/573344999.db2.gz KRBIIYKWBXONKR-ZCFIWIBFSA-N 1 3 134.198 0.235 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1cnn(C)c1 308557881 573345886 /nfs/dbraw/zinc/34/58/86/573345886.db2.gz CELKRNUFMRCFIC-VIFPVBQESA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1cnn(C)c1 308557881 573345893 /nfs/dbraw/zinc/34/58/93/573345893.db2.gz CELKRNUFMRCFIC-VIFPVBQESA-N 1 3 196.298 0.147 10 0 ACAEHO CC(C)NC[C@@H]1CC[NH2+][C@@H]1C 86272715 573345967 /nfs/dbraw/zinc/34/59/67/573345967.db2.gz GUUIVNMMYPIQPS-BDAKNGLRSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@H]1[NH2+]CC[C@H]1CNC1CC1 86272727 573346005 /nfs/dbraw/zinc/34/60/05/573346005.db2.gz NNMIOQOHCSKMCI-SFYZADRCSA-N 1 3 154.257 0.736 10 0 ACAEHO CC(C)NC[C@H]1CC[NH2+][C@@H]1C 86272717 573346029 /nfs/dbraw/zinc/34/60/29/573346029.db2.gz GUUIVNMMYPIQPS-RKDXNWHRSA-N 1 3 156.273 0.982 10 0 ACAEHO [NH3+]C[C@@H](CNC1CC1)c1ccncc1 258288665 573346079 /nfs/dbraw/zinc/34/60/79/573346079.db2.gz NOWSBSYTYVSDAA-JTQLQIEISA-N 1 3 191.278 0.876 10 0 ACAEHO CCNC[C@H]1CC[NH2+][C@@H]1C 86272744 573346310 /nfs/dbraw/zinc/34/63/10/573346310.db2.gz DKDVMFHRZQWGIH-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H]1C[N@H+](C[C@@H](C)O)CCCN1 258287606 573347092 /nfs/dbraw/zinc/34/70/92/573347092.db2.gz VOZQNFJWTKTTNK-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@H]1C[N@@H+](C[C@@H](C)O)CCCN1 258287606 573347097 /nfs/dbraw/zinc/34/70/97/573347097.db2.gz VOZQNFJWTKTTNK-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO CCCNC[C@H]1CC[NH2+][C@@H]1C 86272708 573347102 /nfs/dbraw/zinc/34/71/02/573347102.db2.gz MWZVKFYRTNFNFR-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)NC[C@@H]1CC[NH2+][C@H]1C 86272716 573350482 /nfs/dbraw/zinc/35/04/82/573350482.db2.gz GUUIVNMMYPIQPS-IUCAKERBSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@H]1C[NH2+][C@](C)([C@H]2CCN(C)C2)O1 258491760 573350610 /nfs/dbraw/zinc/35/06/10/573350610.db2.gz LQAPXRXMDJXOLD-UTLUCORTSA-N 1 3 184.283 0.663 10 0 ACAEHO CC(C)[C@H]1C[C@@H](N)CC[NH2+]1 107115970 573350645 /nfs/dbraw/zinc/35/06/45/573350645.db2.gz IASMJJWINMYULV-JGVFFNPUSA-N 1 3 142.246 0.722 10 0 ACAEHO CC(C)[C@H]1C[C@@H]([NH3+])CCN1 107115970 573350652 /nfs/dbraw/zinc/35/06/52/573350652.db2.gz IASMJJWINMYULV-JGVFFNPUSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1CCN([C@@H](CO)[C@@H](C)[NH3+])C1 82987178 573350789 /nfs/dbraw/zinc/35/07/89/573350789.db2.gz LAXGEFGVEJLCGH-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[C@@H]1C[C@H](N)CC[NH2+]1 107115963 573350797 /nfs/dbraw/zinc/35/07/97/573350797.db2.gz IASMJJWINMYULV-SFYZADRCSA-N 1 3 142.246 0.722 10 0 ACAEHO CC(C)[C@@H]1C[C@H]([NH3+])CCN1 107115963 573350801 /nfs/dbraw/zinc/35/08/01/573350801.db2.gz IASMJJWINMYULV-SFYZADRCSA-N 1 3 142.246 0.722 10 0 ACAEHO COCCN1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 86303395 573351913 /nfs/dbraw/zinc/35/19/13/573351913.db2.gz YOJCMCPUIBZXAF-AEJSXWLSSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238367448 573353249 /nfs/dbraw/zinc/35/32/49/573353249.db2.gz LWCUTBAQODYHJP-CHWFTXMASA-N 1 3 198.310 0.975 10 0 ACAEHO COC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238367448 573353251 /nfs/dbraw/zinc/35/32/51/573353251.db2.gz LWCUTBAQODYHJP-CHWFTXMASA-N 1 3 198.310 0.975 10 0 ACAEHO COC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238367448 573353255 /nfs/dbraw/zinc/35/32/55/573353255.db2.gz LWCUTBAQODYHJP-CHWFTXMASA-N 1 3 198.310 0.975 10 0 ACAEHO CO[C@@H]1C[C@@H]([C@@H]2CCC[NH2+]C2)N(C)C1 238366737 573353323 /nfs/dbraw/zinc/35/33/23/573353323.db2.gz NKMQVYLDVOFCSL-MXWKQRLJSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1C[C@@H]([C@@H]2CCCNC2)[N@H+](C)C1 238366737 573353328 /nfs/dbraw/zinc/35/33/28/573353328.db2.gz NKMQVYLDVOFCSL-MXWKQRLJSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1C[C@@H]([C@@H]2CCCNC2)[N@@H+](C)C1 238366737 573353331 /nfs/dbraw/zinc/35/33/31/573353331.db2.gz NKMQVYLDVOFCSL-MXWKQRLJSA-N 1 3 198.310 0.705 10 0 ACAEHO NC[C@H](CCO)C[NH2+]C1CCC1 258009063 573353383 /nfs/dbraw/zinc/35/33/83/573353383.db2.gz FHHZLYZFNPBTEC-QMMMGPOBSA-N 1 3 172.272 0.086 10 0 ACAEHO COCCN1CC[C@H]([NH3+])[C@H](C)[C@H]1C 86303393 573353800 /nfs/dbraw/zinc/35/38/00/573353800.db2.gz YOJCMCPUIBZXAF-BBBLOLIVSA-N 1 3 186.299 0.690 10 0 ACAEHO COC(C)(C)CNCCC[NH3+] 132959543 573353827 /nfs/dbraw/zinc/35/38/27/573353827.db2.gz NICUVLKRJLGHPR-UHFFFAOYSA-N 1 3 160.261 0.350 10 0 ACAEHO COC(C)(C)C[NH2+]CCCN 132959543 573353834 /nfs/dbraw/zinc/35/38/34/573353834.db2.gz NICUVLKRJLGHPR-UHFFFAOYSA-N 1 3 160.261 0.350 10 0 ACAEHO CO[C@@H](CN)C[NH+]1CCCC1 107119269 573353998 /nfs/dbraw/zinc/35/39/98/573353998.db2.gz MOEPNVYHZMLGIH-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CO[C@@H](C[NH3+])CN1CCCC1 107119269 573354004 /nfs/dbraw/zinc/35/40/04/573354004.db2.gz MOEPNVYHZMLGIH-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO C[C@H]1[C@H](C)[C@@H]([NH3+])CCN1C 86302915 573356960 /nfs/dbraw/zinc/35/69/60/573356960.db2.gz LYRGEXSZZAEQRM-FXQIFTODSA-N 1 3 142.246 0.674 10 0 ACAEHO C[C@@H](CC[NH3+])C(=O)[C@@H]1CCN(C)C1 259089844 573356972 /nfs/dbraw/zinc/35/69/72/573356972.db2.gz GDJBUTWVZQQQFS-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN(C)[C@@H]1C 86302919 573357145 /nfs/dbraw/zinc/35/71/45/573357145.db2.gz LYRGEXSZZAEQRM-RNJXMRFFSA-N 1 3 142.246 0.674 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@@H](O)CN(C)C)C1 258311489 573358811 /nfs/dbraw/zinc/35/88/11/573358811.db2.gz XCWIORCOHUGAMV-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@@H](O)CN(C)C)C1 258311489 573358814 /nfs/dbraw/zinc/35/88/14/573358814.db2.gz XCWIORCOHUGAMV-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO COCC[C@@H](CN)C[NH+]1CCCC1 258300083 573358888 /nfs/dbraw/zinc/35/88/88/573358888.db2.gz WJYFPGJZXOFKCW-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CCC[C@H](CO)C1 107124051 573359222 /nfs/dbraw/zinc/35/92/22/573359222.db2.gz YYLCATIDHWTJSX-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](N)C[N@H+]1CCC[C@H](CO)C1 107124051 573359228 /nfs/dbraw/zinc/35/92/28/573359228.db2.gz YYLCATIDHWTJSX-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@@H](O)CN(C)C)C1 258311485 573359585 /nfs/dbraw/zinc/35/95/85/573359585.db2.gz XCWIORCOHUGAMV-UWVGGRQHSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@@H](O)CN(C)C)C1 258311485 573359588 /nfs/dbraw/zinc/35/95/88/573359588.db2.gz XCWIORCOHUGAMV-UWVGGRQHSA-N 1 3 186.299 0.251 10 0 ACAEHO C[C@@H]([C@H](C)CN)[NH+](C)C 86311351 573359674 /nfs/dbraw/zinc/35/96/74/573359674.db2.gz NWXSDMIIPUTCAK-RQJHMYQMSA-N 1 3 130.235 0.531 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N(C)C 86311351 573359677 /nfs/dbraw/zinc/35/96/77/573359677.db2.gz NWXSDMIIPUTCAK-RQJHMYQMSA-N 1 3 130.235 0.531 10 0 ACAEHO C[NH2+]C[C@H](C)[C@@H](C)N(C)C 86311336 573359699 /nfs/dbraw/zinc/35/96/99/573359699.db2.gz DMYIPTPLMJMNQK-JGVFFNPUSA-N 1 3 144.262 0.792 10 0 ACAEHO [NH3+][C@H]1COC[C@H]1CNCCC(F)F 308369859 573364051 /nfs/dbraw/zinc/36/40/51/573364051.db2.gz KCRDUTCOOLOSAN-RQJHMYQMSA-N 1 3 194.225 0.205 10 0 ACAEHO CC[NH2+]C[C@H](C)N(C)[C@@H]1CCN(C)C1 308564373 573365690 /nfs/dbraw/zinc/36/56/90/573365690.db2.gz HCDMWHDPZMANOE-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CN(C[C@H](O)C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 690177951 573373152 /nfs/dbraw/zinc/37/31/52/573373152.db2.gz JXFLWMIDYHWFMM-MXWKQRLJSA-N 1 3 198.310 0.569 10 0 ACAEHO CC(C)[C@@H]([NH3+])C[C@H]1CNCCO1 259431156 573373290 /nfs/dbraw/zinc/37/32/90/573373290.db2.gz NDMPEBFKRZEPIJ-IUCAKERBSA-N 1 3 172.272 0.348 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCN(C)C2)CCC[NH2+]1 258014790 573374106 /nfs/dbraw/zinc/37/41/06/573374106.db2.gz GVRHRAFWYVNVEV-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1CN([C@H]2CCN(C)C2)CCC[NH2+]1 258014794 573374215 /nfs/dbraw/zinc/37/42/15/573374215.db2.gz GVRHRAFWYVNVEV-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO Nc1ccn2c(CCC[NH3+])ncc2c1 258638708 573374233 /nfs/dbraw/zinc/37/42/33/573374233.db2.gz VYEQSVZVGCNVCX-UHFFFAOYSA-N 1 3 190.250 0.808 10 0 ACAEHO CN(C[C@H](O)C1CC1)[C@H]1CC[C@@H]([NH3+])C1 690177953 573374347 /nfs/dbraw/zinc/37/43/47/573374347.db2.gz JXFLWMIDYHWFMM-VWYCJHECSA-N 1 3 198.310 0.569 10 0 ACAEHO CSC[C@@H]([NH3+])[C@@H]1CCN(C)C1 258331448 573374418 /nfs/dbraw/zinc/37/44/18/573374418.db2.gz YOUGXHHTPIRTKB-HTQZYQBOSA-N 1 3 174.313 0.628 10 0 ACAEHO CN(C[C@H](O)C1CC1)[C@H]1CC[C@H]([NH3+])C1 690177948 573374431 /nfs/dbraw/zinc/37/44/31/573374431.db2.gz JXFLWMIDYHWFMM-DCAQKATOSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@H]1CN([C@@H]2CCN(C)C2)CCC[NH2+]1 258014797 573374830 /nfs/dbraw/zinc/37/48/30/573374830.db2.gz GVRHRAFWYVNVEV-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CN([C@H]2CCN(C)C2)CCC[NH2+]1 258014793 573374856 /nfs/dbraw/zinc/37/48/56/573374856.db2.gz GVRHRAFWYVNVEV-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@@]1(C)[C@@H]([NH3+])CCN1C 107156957 573378623 /nfs/dbraw/zinc/37/86/23/573378623.db2.gz UWDJOXHAWVGLEE-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@H](C[NH2+]CC1(CN)CC1)OC 308376990 573378655 /nfs/dbraw/zinc/37/86/55/573378655.db2.gz OKEIECWAZUSGQK-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@]1(C)[C@@H]([NH3+])CCN1C 107156956 573378678 /nfs/dbraw/zinc/37/86/78/573378678.db2.gz UWDJOXHAWVGLEE-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO C[NH2+]CC[C@@H](N)C1CCC1 259431705 573385392 /nfs/dbraw/zinc/38/53/92/573385392.db2.gz PNIWNFKKMZXXBJ-MRVPVSSYSA-N 1 3 142.246 0.723 10 0 ACAEHO CNCC[C@@H]([NH3+])C1CCC1 259431705 573385397 /nfs/dbraw/zinc/38/53/97/573385397.db2.gz PNIWNFKKMZXXBJ-MRVPVSSYSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN(C)[C@@H]1CCN(C)C1 308570135 573393634 /nfs/dbraw/zinc/39/36/34/573393634.db2.gz JTDBWPYMQWVEQN-GARJFASQSA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+](C)C[C@@H](O)C1CC1 690183545 573393666 /nfs/dbraw/zinc/39/36/66/573393666.db2.gz ZFUNOXGTTYQMJS-QXFUBDJGSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+](C)C[C@@H](O)C1CC1 690183545 573393670 /nfs/dbraw/zinc/39/36/70/573393670.db2.gz ZFUNOXGTTYQMJS-QXFUBDJGSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H](C[NH2+]CC1CNC1)C1CC1 133252187 573393708 /nfs/dbraw/zinc/39/37/08/573393708.db2.gz JVUVKCBZNHTIQK-QMMMGPOBSA-N 1 3 168.284 0.842 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN(C)[C@H]1CCN(C)C1 308570137 573393854 /nfs/dbraw/zinc/39/38/54/573393854.db2.gz JTDBWPYMQWVEQN-VWYCJHECSA-N 1 3 199.342 0.606 10 0 ACAEHO C[NH2+][C@H](C)[C@@H](C)N(C)[C@H]1CCN(C)C1 308570633 573393901 /nfs/dbraw/zinc/39/39/01/573393901.db2.gz KCDMBQLMOYRETJ-MXWKQRLJSA-N 1 3 199.342 0.619 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CC2)CCCN1 83091521 573394076 /nfs/dbraw/zinc/39/40/76/573394076.db2.gz WIAHYIPMQXBHGI-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@@H]1C[N@H+](C2CC2)CCCN1 83091521 573394082 /nfs/dbraw/zinc/39/40/82/573394082.db2.gz WIAHYIPMQXBHGI-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO C[NH2+]CCCN[C@H]1CCC[C@@H]1OC 50375699 573395198 /nfs/dbraw/zinc/39/51/98/573395198.db2.gz JSZMKIAOFTUGPJ-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@H]1CCC[C@@H]1OC 50375699 573395205 /nfs/dbraw/zinc/39/52/05/573395205.db2.gz JSZMKIAOFTUGPJ-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 690183541 573395353 /nfs/dbraw/zinc/39/53/53/573395353.db2.gz ZFUNOXGTTYQMJS-NRPADANISA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)C[C@H](O)C1CC1 690183541 573395357 /nfs/dbraw/zinc/39/53/57/573395357.db2.gz ZFUNOXGTTYQMJS-NRPADANISA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[N@@H+]([C@@H]2CCCOC2)CCCN1 83093369 573395407 /nfs/dbraw/zinc/39/54/07/573395407.db2.gz GAGZSEZXBHCMRZ-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1C[N@H+]([C@@H]2CCCOC2)CCCN1 83093369 573395413 /nfs/dbraw/zinc/39/54/13/573395413.db2.gz GAGZSEZXBHCMRZ-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CNC[C@H](F)CC1CC[NH2+]CC1 257809957 573395431 /nfs/dbraw/zinc/39/54/31/573395431.db2.gz ABGVOWGBKZPNQM-SECBINFHSA-N 1 3 174.263 0.934 10 0 ACAEHO C[NH2+][C@H](C)[C@H](C)N(C)[C@@H]1CCN(C)C1 308570635 573395966 /nfs/dbraw/zinc/39/59/66/573395966.db2.gz KCDMBQLMOYRETJ-OUAUKWLOSA-N 1 3 199.342 0.619 10 0 ACAEHO Cc1noc([C@@H]2CC[N@@H+](C)C2)c1CN 257810353 573396036 /nfs/dbraw/zinc/39/60/36/573396036.db2.gz AHTXDICRUGMPKW-MRVPVSSYSA-N 1 3 195.266 0.861 10 0 ACAEHO Cc1noc([C@@H]2CC[N@H+](C)C2)c1CN 257810353 573396038 /nfs/dbraw/zinc/39/60/38/573396038.db2.gz AHTXDICRUGMPKW-MRVPVSSYSA-N 1 3 195.266 0.861 10 0 ACAEHO CC[C@@H](CCN)[N@H+](C)C(C)(C)CO 133329099 573396284 /nfs/dbraw/zinc/39/62/84/573396284.db2.gz JFZXQJBJNULTJK-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@@H](CCN)[N@@H+](C)C(C)(C)CO 133329099 573396289 /nfs/dbraw/zinc/39/62/89/573396289.db2.gz JFZXQJBJNULTJK-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CN1CC[C@@H]([C@@](C)([NH3+])CCCO)C1 259095225 573401305 /nfs/dbraw/zinc/40/13/05/573401305.db2.gz CBJQJGLDDSIIFG-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO [NH3+][C@H]1CC[C@@](F)(CNC2CC2)C1 257810470 573402801 /nfs/dbraw/zinc/40/28/01/573402801.db2.gz ALACPNXUHBKHJT-CBAPKCEASA-N 1 3 172.247 0.958 10 0 ACAEHO C[NH2+][C@H]1CC[C@H](N)C1 86396758 573403589 /nfs/dbraw/zinc/40/35/89/573403589.db2.gz UVRACRXTNOLTMJ-WDSKDSINSA-N 1 3 114.192 0.086 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NC2CC2)C1 86396724 573404041 /nfs/dbraw/zinc/40/40/41/573404041.db2.gz BBGQFLHPBZPIKK-POYBYMJQSA-N 1 3 140.230 0.618 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 86399251 573404129 /nfs/dbraw/zinc/40/41/29/573404129.db2.gz LCUVZSNLWFXVSO-IVZWLZJFSA-N 1 3 184.283 0.492 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1 86397285 573404140 /nfs/dbraw/zinc/40/41/40/573404140.db2.gz UMQYIPMZROJELC-BZCXBAJXSA-N 1 3 198.310 0.759 10 0 ACAEHO C[C@H]1CN(C)CCN1C/C=C/C[NH3+] 235594777 573404172 /nfs/dbraw/zinc/40/41/72/573404172.db2.gz RGZBSZAVCSSLCR-FSIBCCDJSA-N 1 3 183.299 0.137 10 0 ACAEHO N[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 86397284 573404202 /nfs/dbraw/zinc/40/42/02/573404202.db2.gz UMQYIPMZROJELC-XEAZBWPWSA-N 1 3 198.310 0.759 10 0 ACAEHO CCC[NH2+][C@H]1CC[C@@H](N)C1 86396773 573404219 /nfs/dbraw/zinc/40/42/19/573404219.db2.gz ILOGLNKKMWKLDK-SFYZADRCSA-N 1 3 142.246 0.866 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]CC2CC2)C1 86396937 573404350 /nfs/dbraw/zinc/40/43/50/573404350.db2.gz OZKQIXWDBHUZIB-RKDXNWHRSA-N 1 3 154.257 0.866 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]CC2CC(O)C2)C1 86401297 573404460 /nfs/dbraw/zinc/40/44/60/573404460.db2.gz XVPGBOHKISMGIU-MXAZLMSGSA-N 1 3 184.283 0.227 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 86397287 573404481 /nfs/dbraw/zinc/40/44/81/573404481.db2.gz UMQYIPMZROJELC-VKAADOFISA-N 1 3 198.310 0.759 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]CC2CC2)C1 86396939 573404489 /nfs/dbraw/zinc/40/44/89/573404489.db2.gz OZKQIXWDBHUZIB-BDAKNGLRSA-N 1 3 154.257 0.866 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]CC2CC(O)C2)C1 86401299 573404861 /nfs/dbraw/zinc/40/48/61/573404861.db2.gz XVPGBOHKISMGIU-DSAQSWLYSA-N 1 3 184.283 0.227 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]C2CCOCC2)C1 86398574 573404959 /nfs/dbraw/zinc/40/49/59/573404959.db2.gz QACUDBMICMLIPR-SCZZXKLOSA-N 1 3 184.283 0.635 10 0 ACAEHO CC[C@@H](CN)[N@H+](C)[C@@H]1CCOC1 133503724 573405058 /nfs/dbraw/zinc/40/50/58/573405058.db2.gz KQPMFFODXCXVOF-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@@H](CN)[N@@H+](C)[C@@H]1CCOC1 133503724 573405064 /nfs/dbraw/zinc/40/50/64/573405064.db2.gz KQPMFFODXCXVOF-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[NH2+][C@H]1CC[C@@H](N)C1 86396799 573405105 /nfs/dbraw/zinc/40/51/05/573405105.db2.gz YNVIVCHPDZQKDO-RQJHMYQMSA-N 1 3 128.219 0.476 10 0 ACAEHO COCCN[C@@H]1CC[C@H]([NH3+])C1 86396890 573405117 /nfs/dbraw/zinc/40/51/17/573405117.db2.gz ZVSPPRJNEWQHRX-JGVFFNPUSA-N 1 3 158.245 0.102 10 0 ACAEHO CC(C)[NH2+][C@@H]1CC[C@H](N)C1 86396883 573405153 /nfs/dbraw/zinc/40/51/53/573405153.db2.gz NNOJHQLOXDZFHF-JGVFFNPUSA-N 1 3 142.246 0.864 10 0 ACAEHO CN1CC[C@H](N[C@@H]2CC[C@H]([NH3+])C2)C1 86399753 573405212 /nfs/dbraw/zinc/40/52/12/573405212.db2.gz UOKBCAREPJACNW-AEJSXWLSSA-N 1 3 183.299 0.160 10 0 ACAEHO CSCCN[C@@H]1CC[C@H]([NH3+])C1 86400712 573405262 /nfs/dbraw/zinc/40/52/62/573405262.db2.gz ZLXYPYKCESQCND-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO CCN(CC[C@H](C)O)C[C@@H](C)C[NH3+] 133504882 573405297 /nfs/dbraw/zinc/40/52/97/573405297.db2.gz VCRQORNNQKPVBT-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@H+](CC[C@H](C)O)C[C@@H](C)CN 133504882 573405307 /nfs/dbraw/zinc/40/53/07/573405307.db2.gz VCRQORNNQKPVBT-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@@H+](CC[C@H](C)O)C[C@@H](C)CN 133504882 573405319 /nfs/dbraw/zinc/40/53/19/573405319.db2.gz VCRQORNNQKPVBT-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NC2CC2)C1 86396726 573405550 /nfs/dbraw/zinc/40/55/50/573405550.db2.gz BBGQFLHPBZPIKK-XPUUQOCRSA-N 1 3 140.230 0.618 10 0 ACAEHO N[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 86396934 573405600 /nfs/dbraw/zinc/40/56/00/573405600.db2.gz OZKQIXWDBHUZIB-DTWKUNHWSA-N 1 3 154.257 0.866 10 0 ACAEHO CC[N@H+](CCCN)CC[C@H](C)O 133496157 573405841 /nfs/dbraw/zinc/40/58/41/573405841.db2.gz KGPRVARAKFUISP-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CC[N@@H+](CCCN)CC[C@H](C)O 133496157 573405847 /nfs/dbraw/zinc/40/58/47/573405847.db2.gz KGPRVARAKFUISP-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CO[C@H]1C[C@@H]([NH2+]CCCN)C12CCC2 308383046 573405947 /nfs/dbraw/zinc/40/59/47/573405947.db2.gz YFWIGFMONQBWRD-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO CO[C@H]1C[C@@H](NCCC[NH3+])C12CCC2 308383046 573405948 /nfs/dbraw/zinc/40/59/48/573405948.db2.gz YFWIGFMONQBWRD-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 86399249 573406111 /nfs/dbraw/zinc/40/61/11/573406111.db2.gz LCUVZSNLWFXVSO-AEJSXWLSSA-N 1 3 184.283 0.492 10 0 ACAEHO C[NH2+][C@H]1CC[C@@H](N)C1 86396761 573406201 /nfs/dbraw/zinc/40/62/01/573406201.db2.gz UVRACRXTNOLTMJ-RITPCOANSA-N 1 3 114.192 0.086 10 0 ACAEHO C[C@H](CCN)[NH2+]CCCCO 126181492 573406257 /nfs/dbraw/zinc/40/62/57/573406257.db2.gz HCTCEWFOXJCNGN-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO C[C@@H]([NH3+])c1ccc(CN)n1C 258646797 573407910 /nfs/dbraw/zinc/40/79/10/573407910.db2.gz ZERPLINSVIOQAE-ZCFIWIBFSA-N 1 3 153.229 0.504 10 0 ACAEHO C[C@@H](C[NH2+][C@@H]1CCN(C)C1)CN(C)C 308576225 573407935 /nfs/dbraw/zinc/40/79/35/573407935.db2.gz MTXQMZJJSWVKLC-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H](CN[C@@H]1CCN(C)C1)C[NH+](C)C 308576225 573407939 /nfs/dbraw/zinc/40/79/39/573407939.db2.gz MTXQMZJJSWVKLC-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO CN1CCC[C@H](N[C@@H]2CC[C@H]([NH3+])C2)C1 86399620 573407942 /nfs/dbraw/zinc/40/79/42/573407942.db2.gz MYKPWOIJGIUMEO-AXFHLTTASA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C)CN1[C@@H]1CCN(C)C1 83118048 573407966 /nfs/dbraw/zinc/40/79/66/573407966.db2.gz FEPCDUDEDUDJGB-OUAUKWLOSA-N 1 3 197.326 0.373 10 0 ACAEHO CO[C@@H](CNCC[C@@H](C)[NH3+])C(C)C 381167046 573407975 /nfs/dbraw/zinc/40/79/75/573407975.db2.gz BNYIXEDJXGBMQJ-ZJUUUORDSA-N 1 3 188.315 0.984 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@H]2COCCN2)C1 259097776 573408071 /nfs/dbraw/zinc/40/80/71/573408071.db2.gz JTJBGTKERIGXME-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@H]2COCCN2)C1 259097776 573408075 /nfs/dbraw/zinc/40/80/75/573408075.db2.gz JTJBGTKERIGXME-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO CC(C)[N@H+](CCCN)CC[C@@H](C)O 133496768 573410139 /nfs/dbraw/zinc/41/01/39/573410139.db2.gz MCOPIMSPHGXVGK-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)[N@@H+](CCCN)CC[C@@H](C)O 133496768 573410145 /nfs/dbraw/zinc/41/01/45/573410145.db2.gz MCOPIMSPHGXVGK-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)N(CCC[NH3+])CC[C@@H](C)O 133496768 573410150 /nfs/dbraw/zinc/41/01/50/573410150.db2.gz MCOPIMSPHGXVGK-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO N[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 86404780 573412075 /nfs/dbraw/zinc/41/20/75/573412075.db2.gz YSRZFMJJXVVGLN-WIFZPCQCSA-N 1 3 198.310 0.617 10 0 ACAEHO OC[C@H]1CCNCC[C@@H]1[NH+]1CCCC1 215200167 573414704 /nfs/dbraw/zinc/41/47/04/573414704.db2.gz VKLYLMIIYVYBRA-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CN(C1CC1)[C@H]1CC[C@H]([NH3+])C1 86410081 573416175 /nfs/dbraw/zinc/41/61/75/573416175.db2.gz ABNKZVNYADEQKF-CBAPKCEASA-N 1 3 154.257 0.960 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N2CCC(CO)CC2)C1 86410050 573416285 /nfs/dbraw/zinc/41/62/85/573416285.db2.gz WOMBWGQVYOOCSE-WDEREUQCSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@H]1N(C)CC[C@@]12CC[NH2+]C2 107219977 573418669 /nfs/dbraw/zinc/41/86/69/573418669.db2.gz ZENGSBMRHDBJGT-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])C(C)(C)N1C 107218311 573418695 /nfs/dbraw/zinc/41/86/95/573418695.db2.gz VXPNEQUQTMKJIW-BQBZGAKWSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@]1(CO)C[C@@H](CN2CCCC2)C[NH2+]1 258335352 573418724 /nfs/dbraw/zinc/41/87/24/573418724.db2.gz XHNBRFJNNZKSGS-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@@H+]1C1CC1 107220037 573418748 /nfs/dbraw/zinc/41/87/48/573418748.db2.gz OBOHODNGQGVKRI-IONNQARKSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@H+]1C1CC1 107220037 573418752 /nfs/dbraw/zinc/41/87/52/573418752.db2.gz OBOHODNGQGVKRI-IONNQARKSA-N 1 3 154.257 0.960 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](N2CCC[C@H](O)C2)C1 86410451 573418766 /nfs/dbraw/zinc/41/87/66/573418766.db2.gz HCBYIFYGFBXXND-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])C(C)(C)N1C 107218315 573418771 /nfs/dbraw/zinc/41/87/71/573418771.db2.gz VXPNEQUQTMKJIW-RNFRBKRXSA-N 1 3 142.246 0.816 10 0 ACAEHO CN[C@H]1CC[N@@H+](C(C)C)C[C@H]1CO 215197861 573418784 /nfs/dbraw/zinc/41/87/84/573418784.db2.gz QSXCMNPVUKUTHE-UWVGGRQHSA-N 1 3 186.299 0.297 10 0 ACAEHO CN[C@H]1CC[N@H+](C(C)C)C[C@H]1CO 215197861 573418788 /nfs/dbraw/zinc/41/87/88/573418788.db2.gz QSXCMNPVUKUTHE-UWVGGRQHSA-N 1 3 186.299 0.297 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])C(C)(C)N1C 107218319 573418795 /nfs/dbraw/zinc/41/87/95/573418795.db2.gz VXPNEQUQTMKJIW-NKWVEPMBSA-N 1 3 142.246 0.816 10 0 ACAEHO OC[C@@H]1CCNCC[C@@H]1[NH+]1CCCC1 215200262 573418874 /nfs/dbraw/zinc/41/88/74/573418874.db2.gz VKLYLMIIYVYBRA-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO CNC[C@@H](C[NH3+])c1ccco1 258338312 573419079 /nfs/dbraw/zinc/41/90/79/573419079.db2.gz YZPITRBYLCVTOY-SSDOTTSWSA-N 1 3 154.213 0.541 10 0 ACAEHO CCN(C)[C@H]1CC[C@H]([NH3+])C1 86410065 573418617 /nfs/dbraw/zinc/41/86/17/573418617.db2.gz KYRUOWSTXPUGOG-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])[C@@H]1CCSC1 258019812 573423204 /nfs/dbraw/zinc/42/32/04/573423204.db2.gz FXXPFGJEBDMGQU-RKDXNWHRSA-N 1 3 188.340 0.876 10 0 ACAEHO C[C@H]1[C@H](C)C[C@]1(CN)[NH2+]CCN(C)C 308582684 573423229 /nfs/dbraw/zinc/42/32/29/573423229.db2.gz QDFRZAJDWBEQCA-OUAUKWLOSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@H]1[C@H](C)C[C@]1(C[NH3+])NCCN(C)C 308582684 573423236 /nfs/dbraw/zinc/42/32/36/573423236.db2.gz QDFRZAJDWBEQCA-OUAUKWLOSA-N 1 3 199.342 0.511 10 0 ACAEHO CN1CCC([C@@H]2C[NH2+][C@@H](CO)C2)CC1 258026483 573423302 /nfs/dbraw/zinc/42/33/02/573423302.db2.gz BVISCEOPNBAPQS-WDEREUQCSA-N 1 3 198.310 0.299 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CCCOCC2)C1 86432756 573423467 /nfs/dbraw/zinc/42/34/67/573423467.db2.gz KDHNMFZAVQBJGX-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO CC(C)NCCC(N)=[NH2+] 86456388 573436288 /nfs/dbraw/zinc/43/62/88/573436288.db2.gz CUMLXBOQGFFYLG-UHFFFAOYSA-N 1 3 129.207 0.310 10 0 ACAEHO [NH3+][C@H](CCNC[C@@H]1CCCO1)C1CC1 130042419 573436359 /nfs/dbraw/zinc/43/63/59/573436359.db2.gz HJEMDTCQHNXBCI-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(C)CNCCC(N)=[NH2+] 86456381 573436487 /nfs/dbraw/zinc/43/64/87/573436487.db2.gz NCKLKOGZSUYUBU-UHFFFAOYSA-N 1 3 143.234 0.558 10 0 ACAEHO C[C@H]1OCC[C@@]1(C)NCC1C[NH2+]C1 235595934 573436938 /nfs/dbraw/zinc/43/69/38/573436938.db2.gz DYVPFENXTLDSAN-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]1OCC[C@@]1(C)[NH2+]CC1CNC1 235595934 573436942 /nfs/dbraw/zinc/43/69/42/573436942.db2.gz DYVPFENXTLDSAN-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO CN[C@@H](C)c1cnn([C@H]2CC[NH2+]C2)c1 257813322 573437014 /nfs/dbraw/zinc/43/70/14/573437014.db2.gz CCBLACMYTFMXPJ-WPRPVWTQSA-N 1 3 194.282 0.698 10 0 ACAEHO OC[C@H]1C[C@@H](CN2CCCC2)C[NH2+]1 258355538 573443095 /nfs/dbraw/zinc/44/30/95/573443095.db2.gz YWESTCFHTGGZQD-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO CCCN1C(N)=[NH+]C[C@]12CCN(C)C2 86460065 573445716 /nfs/dbraw/zinc/44/57/16/573445716.db2.gz QHBQZWPVOJOISS-JTQLQIEISA-N 1 3 196.298 0.101 10 0 ACAEHO CC[C@H](C(N)=[NH2+])N(C)[C@H]1CCN(C)C1 308587362 573445949 /nfs/dbraw/zinc/44/59/49/573445949.db2.gz STWTXMHXPOLYDY-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO CC(C)[C@H]([NH3+])CN(C)[C@@H]1CCN(C)C1 308588076 573452178 /nfs/dbraw/zinc/45/21/78/573452178.db2.gz TWLXLMWILARCIB-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC[C@@](C)([NH3+])CN(C)[C@@H]1CCN(C)C1 308591275 573454546 /nfs/dbraw/zinc/45/45/46/573454546.db2.gz VPQJWZKZWGHYHI-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO OC[C@@]1(C[C@H]2CCCCN2)CCC[NH2+]1 258360237 573454760 /nfs/dbraw/zinc/45/47/60/573454760.db2.gz ZYQQJNGNVZRAJW-MNOVXSKESA-N 1 3 198.310 0.633 10 0 ACAEHO CN(C)[C@@H](O)C1CC[NH+](C)CC1 259456413 573455139 /nfs/dbraw/zinc/45/51/39/573455139.db2.gz JLFPGZFVJWEHSR-VIFPVBQESA-N 1 3 172.272 0.208 10 0 ACAEHO OC1(CNC[C@H]2CCCC[NH2+]C2)CC1 214118153 571716497 /nfs/dbraw/zinc/71/64/97/571716497.db2.gz SSKNGOYBOWMNSF-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO OC1(CN[C@H]2CCCC[NH2+]CC2)CC1 214116884 571716548 /nfs/dbraw/zinc/71/65/48/571716548.db2.gz CBXSJHHRNDCDKW-JTQLQIEISA-N 1 3 198.310 0.633 10 0 ACAEHO CN(C)C[C@H](C[NH3+])Cc1cccnc1 11736659 571716890 /nfs/dbraw/zinc/71/68/90/571716890.db2.gz QVPLRFYLJYOBJZ-NSHDSACASA-N 1 3 193.294 0.761 10 0 ACAEHO C[C@H]([NH3+])Cc1nc(CCN(C)C)no1 134760890 571716919 /nfs/dbraw/zinc/71/69/19/571716919.db2.gz MLSVLMAQQOGYKZ-ZETCQYMHSA-N 1 3 198.270 0.063 10 0 ACAEHO OC1(C[NH2+]C[C@H]2CCCCCN2)CC1 214118243 571716996 /nfs/dbraw/zinc/71/69/96/571716996.db2.gz NZKYTHSPAPFCIT-SNVBAGLBSA-N 1 3 198.310 0.633 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCCOC(F)F)C1 398268928 571763674 /nfs/dbraw/zinc/76/36/74/571763674.db2.gz YKHJXFWZPRRCQE-BQBZGAKWSA-N 1 3 194.225 0.695 10 0 ACAEHO N[C@H]1C[C@@H]1[C@H]1CCC[NH2+]1 259454148 573456932 /nfs/dbraw/zinc/45/69/32/573456932.db2.gz VSZHDOFOOOYFNQ-LYFYHCNISA-N 1 3 126.203 0.086 10 0 ACAEHO NC[C@H]1C[NH2+]CC[C@H]1C1CC1 17918200 571763730 /nfs/dbraw/zinc/76/37/30/571763730.db2.gz GPRWRVBOGGIDJU-IUCAKERBSA-N 1 3 154.257 0.581 10 0 ACAEHO [NH3+]C[C@H]1CNCC[C@H]1C1CC1 17918200 571763731 /nfs/dbraw/zinc/76/37/31/571763731.db2.gz GPRWRVBOGGIDJU-IUCAKERBSA-N 1 3 154.257 0.581 10 0 ACAEHO C[C@@H](CN[C@H](C)C[NH3+])n1cccn1 235453795 571912551 /nfs/dbraw/zinc/91/25/51/571912551.db2.gz MIYAHANTTFKTRQ-BDAKNGLRSA-N 1 3 182.271 0.381 10 0 ACAEHO C[C@H](CN)[NH2+]CC1(N(C)C)CCCC1 235449838 571912573 /nfs/dbraw/zinc/91/25/73/571912573.db2.gz IWMGSMSBFVSILZ-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H]([NH3+])CCN[C@@]1(C)CCCOC1 235488856 571919931 /nfs/dbraw/zinc/91/99/31/571919931.db2.gz CVQYWKZWKMZOKR-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CN1CCN(C/C=C/CC[NH3+])CC1 687680388 571922624 /nfs/dbraw/zinc/92/26/24/571922624.db2.gz RGYHFAMSAZTALW-DUXPYHPUSA-N 1 3 183.299 0.139 10 0 ACAEHO NCc1ccc(CC[NH3+])cc1F 39366042 571923294 /nfs/dbraw/zinc/92/32/94/571923294.db2.gz GBAWSNCBWZMPRW-UHFFFAOYSA-N 1 3 168.215 0.786 10 0 ACAEHO CO[C@@H]1CCN(CCC(N)=[NH2+])[C@@H](C)C1 300795272 571928901 /nfs/dbraw/zinc/92/89/01/571928901.db2.gz AGXOTKJGYVRHKA-DTWKUNHWSA-N 1 3 199.298 0.812 10 0 ACAEHO C[C@@H]1CCCN[C@@H]1N1CC[NH2+]CC1 238403758 573459528 /nfs/dbraw/zinc/45/95/28/573459528.db2.gz GNKHMLSPZGWAQB-NXEZZACHSA-N 1 3 183.299 0.237 10 0 ACAEHO CC(C)[C@@H]1C[C@@H](C[NH3+])N(C)C1 258498698 573460538 /nfs/dbraw/zinc/46/05/38/573460538.db2.gz KTBKJYQBAQYSCH-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CN1CCC[C@H](NC[C@@H]2CCC[NH2+]2)C1 234324118 571964075 /nfs/dbraw/zinc/96/40/75/571964075.db2.gz XWGKSJMQHPZLEG-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO OC[C@@]1(C[C@@H]2CCC[NH2+]2)CCCCN1 258035038 573465050 /nfs/dbraw/zinc/46/50/50/573465050.db2.gz HOKIWIPJIAAZJS-QWRGUYRKSA-N 1 3 198.310 0.633 10 0 ACAEHO C[C@H]1CO[C@@H](C2CCN(C)CC2)[NH2+]1 258397135 573465097 /nfs/dbraw/zinc/46/50/97/573465097.db2.gz IDANVRKIWWSNJS-WPRPVWTQSA-N 1 3 184.283 0.663 10 0 ACAEHO COC[C@H]1CC[N@H+](C[C@@H](C)CN)C1 81042630 571972588 /nfs/dbraw/zinc/97/25/88/571972588.db2.gz MTPQQBLUCPYVKE-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H]1CC[N@@H+](C[C@@H](C)CN)C1 81042630 571972590 /nfs/dbraw/zinc/97/25/90/571972590.db2.gz MTPQQBLUCPYVKE-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO CN1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 234335135 571972709 /nfs/dbraw/zinc/97/27/09/571972709.db2.gz LSEYZQJJYCKDKF-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO COC[C@H]1CC[N@@H+]([C@@H](C)CCN)C1 81042549 571972721 /nfs/dbraw/zinc/97/27/21/571972721.db2.gz YNLRMXADORICRN-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@H]1CC[N@H+]([C@@H](C)CCN)C1 81042549 571972723 /nfs/dbraw/zinc/97/27/23/571972723.db2.gz YNLRMXADORICRN-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO NC1(c2nc([C@@H]3CC[NH2+]C3)c[nH]2)CC1 257815568 573465268 /nfs/dbraw/zinc/46/52/68/573465268.db2.gz CYWIALKBJCSOSO-SSDOTTSWSA-N 1 3 192.266 0.434 10 0 ACAEHO C[C@H](C[NH3+])CNc1nccn1C 83387608 573471926 /nfs/dbraw/zinc/47/19/26/573471926.db2.gz SCLGFCYILBCBCB-SSDOTTSWSA-N 1 3 168.244 0.427 10 0 ACAEHO CO[C@H]1CCN(CC2(C[NH3+])CC2)C1 234853161 571977944 /nfs/dbraw/zinc/97/79/44/571977944.db2.gz MQQCCZZEUIQJDH-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO CO[C@H]1CC[N@H+](CC2(CN)CC2)C1 234853161 571977946 /nfs/dbraw/zinc/97/79/46/571977946.db2.gz MQQCCZZEUIQJDH-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO CO[C@H]1CC[N@@H+](CC2(CN)CC2)C1 234853161 571977947 /nfs/dbraw/zinc/97/79/47/571977947.db2.gz MQQCCZZEUIQJDH-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO CO[C@H]1CCN(CC2(C[NH3+])CCC2)C1 234853264 571978059 /nfs/dbraw/zinc/97/80/59/571978059.db2.gz KOKYFACXRATQNA-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CO[C@H]1CC[N@H+](CC2(CN)CCC2)C1 234853264 571978062 /nfs/dbraw/zinc/97/80/62/571978062.db2.gz KOKYFACXRATQNA-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CO[C@H]1CC[N@@H+](CC2(CN)CCC2)C1 234853264 571978063 /nfs/dbraw/zinc/97/80/63/571978063.db2.gz KOKYFACXRATQNA-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CC(C)[C@@H](O)CN(C)C[C@H](C)C[NH3+] 300877839 571997553 /nfs/dbraw/zinc/99/75/53/571997553.db2.gz MEPVIIVVKZLDFI-ZJUUUORDSA-N 1 3 188.315 0.530 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CC[C@@](C)(O)C1 234388377 571997589 /nfs/dbraw/zinc/99/75/89/571997589.db2.gz AUWAIULKVPEYGG-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO COCC[C@@H](C[NH3+])Nc1ccncc1 300854363 571988554 /nfs/dbraw/zinc/98/85/54/571988554.db2.gz LKUAXVCGAIRQDA-JTQLQIEISA-N 1 3 195.266 0.857 10 0 ACAEHO CO[C@H](CNCC[C@@H](C)[NH3+])C1CC1 393443462 571989152 /nfs/dbraw/zinc/98/91/52/571989152.db2.gz PXUHMFXSSUTWQQ-PSASIEDQSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH+](C)CCNc1cccc(CN)n1 81595681 571989197 /nfs/dbraw/zinc/98/91/97/571989197.db2.gz CSVUZZCPCSXRRS-UHFFFAOYSA-N 1 3 194.282 0.514 10 0 ACAEHO CCCC[N@H+](C)C[C@@H](O)CNCC 34978514 572006692 /nfs/dbraw/zinc/00/66/92/572006692.db2.gz BXXBFXVIUFQROV-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCCC[N@@H+](C)C[C@@H](O)CNCC 34978514 572006694 /nfs/dbraw/zinc/00/66/94/572006694.db2.gz BXXBFXVIUFQROV-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CC(C)(C)C[C@H](CO)[NH2+]CCCN 393529019 573481733 /nfs/dbraw/zinc/48/17/33/573481733.db2.gz VMBDZCKRENZHAX-SECBINFHSA-N 1 3 188.315 0.722 10 0 ACAEHO CC(C)(C)C[C@H](CO)NCCC[NH3+] 393529019 573481737 /nfs/dbraw/zinc/48/17/37/573481737.db2.gz VMBDZCKRENZHAX-SECBINFHSA-N 1 3 188.315 0.722 10 0 ACAEHO CCN1CCN(C[C@H](C)[NH2+]C)[C@@H](C)C1 250204534 572014666 /nfs/dbraw/zinc/01/46/66/572014666.db2.gz BUGBOWZLGUAXJM-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCO[C@H]1C1CC1 308597135 573485057 /nfs/dbraw/zinc/48/50/57/573485057.db2.gz ZJIBUPJLJBDTCQ-IEBDPFPHSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@H]1CCO[C@H]1C1CC1 308597135 573485061 /nfs/dbraw/zinc/48/50/61/573485061.db2.gz ZJIBUPJLJBDTCQ-IEBDPFPHSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H](CN(C)C)NC1CC[NH2+]CC1 130142639 573485077 /nfs/dbraw/zinc/48/50/77/573485077.db2.gz KJZNTYHYGRDZAW-SECBINFHSA-N 1 3 185.315 0.278 10 0 ACAEHO CN(C)CCOC1(C[NH3+])CCCC1 83401428 573485119 /nfs/dbraw/zinc/48/51/19/573485119.db2.gz ZGBULTZJKWDROJ-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@H]1CN(C)CCN1CCCC(N)=[NH2+] 235579225 572018423 /nfs/dbraw/zinc/01/84/23/572018423.db2.gz PURIQAOWWBYLHJ-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCC[C@H](O)C1 42468746 572021454 /nfs/dbraw/zinc/02/14/54/572021454.db2.gz AJLQOMVVUCKWAA-SFYZADRCSA-N 1 3 185.271 0.158 10 0 ACAEHO CN(C)CCc1nc(CN)cs1 82392527 572023807 /nfs/dbraw/zinc/02/38/07/572023807.db2.gz OTYOULMLVCLCEJ-UHFFFAOYSA-N 1 3 185.296 0.706 10 0 ACAEHO C[NH+](C)CCc1nc(CN)cs1 82392527 572023809 /nfs/dbraw/zinc/02/38/09/572023809.db2.gz OTYOULMLVCLCEJ-UHFFFAOYSA-N 1 3 185.296 0.706 10 0 ACAEHO C[C@H](C[NH3+])NCCc1ccncc1 143475819 573490521 /nfs/dbraw/zinc/49/05/21/573490521.db2.gz OIDIWEYROCCBRL-SECBINFHSA-N 1 3 179.267 0.561 10 0 ACAEHO CC[C@@H](O)CCN[C@H](C)C1C[NH2+]C1 686245502 573492442 /nfs/dbraw/zinc/49/24/42/573492442.db2.gz XDSUYBCWTYPKMT-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H](O)CC[NH2+][C@H](C)C1CNC1 686245502 573492447 /nfs/dbraw/zinc/49/24/47/573492447.db2.gz XDSUYBCWTYPKMT-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](C[NH3+])CCN1CCOCC1 35822591 572036592 /nfs/dbraw/zinc/03/65/92/572036592.db2.gz BLVVOQIYYWCVTC-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO CC[C@H](C[NH3+])N1CCN(C(C)C)CC1 36170826 572041471 /nfs/dbraw/zinc/04/14/71/572041471.db2.gz KIHJYWWBSPFUSP-LLVKDONJSA-N 1 3 199.342 0.750 10 0 ACAEHO CC(C)n1nc(CN)c2c1C[NH2+]CC2 107299352 573492995 /nfs/dbraw/zinc/49/29/95/573492995.db2.gz KASVEMIBWJZWKN-UHFFFAOYSA-N 1 3 194.282 0.568 10 0 ACAEHO CC[N@@H+]1CCC[C@@](N)(CO)CC1 83423892 573493082 /nfs/dbraw/zinc/49/30/82/573493082.db2.gz QUHVONXTXVVJKO-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO CC[N@H+]1CCC[C@@](N)(CO)CC1 83423892 573493088 /nfs/dbraw/zinc/49/30/88/573493088.db2.gz QUHVONXTXVVJKO-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO CCC[C@@H](O)CN[C@H](C)C1C[NH2+]C1 686245339 573493094 /nfs/dbraw/zinc/49/30/94/573493094.db2.gz SMYYPDPWFKVIRM-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC[C@@H](O)C[NH2+][C@H](C)C1CNC1 686245339 573493097 /nfs/dbraw/zinc/49/30/97/573493097.db2.gz SMYYPDPWFKVIRM-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO CN(C)CCN(C)CC(C)(C)C[NH3+] 82543551 572055171 /nfs/dbraw/zinc/05/51/71/572055171.db2.gz VSHCXIIHOUINKB-UHFFFAOYSA-N 1 3 187.331 0.465 10 0 ACAEHO CN(C)CCN(C)C[C@@]1(C)CC[NH2+]C1 82542609 572055703 /nfs/dbraw/zinc/05/57/03/572055703.db2.gz JACOWRKUBKOGLV-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO CN(C)CCN(C)CC[C@@H]1CCC[NH2+]1 82542742 572055714 /nfs/dbraw/zinc/05/57/14/572055714.db2.gz UVHHRNDKSPCGCF-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H]([NH3+])C(C)(C)N 34109926 572055740 /nfs/dbraw/zinc/05/57/40/572055740.db2.gz KMBLEIWOEVXHQI-YFKPBYRVSA-N 1 3 116.208 0.461 10 0 ACAEHO CN(C)CCN(C)C[C@](C)([NH3+])C1CC1 82542642 572055751 /nfs/dbraw/zinc/05/57/51/572055751.db2.gz SRTVYTQMBSMHIZ-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CCC[C@H](C[C@H]1CN(C)CCN1)[NH2+]C 259474937 573493535 /nfs/dbraw/zinc/49/35/35/573493535.db2.gz QIISTAODKVVUIG-MNOVXSKESA-N 1 3 199.342 0.668 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCN(C)CC1 36677442 572058523 /nfs/dbraw/zinc/05/85/23/572058523.db2.gz QHWVYXSLFFXXCO-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@H](C(N)=O)N1CCC[C@@H]1CCC[NH3+] 82596624 572058534 /nfs/dbraw/zinc/05/85/34/572058534.db2.gz RQGJGNXDABEFKJ-BDAKNGLRSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597338 572058569 /nfs/dbraw/zinc/05/85/69/572058569.db2.gz MFDDNLZAKCLKAA-GKDVJIACSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H](CN)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597338 572058572 /nfs/dbraw/zinc/05/85/72/572058572.db2.gz MFDDNLZAKCLKAA-GKDVJIACSA-N 1 3 198.310 0.569 10 0 ACAEHO CCC[C@H](C)N(C)C[C@H](O)C[NH3+] 36790405 572071928 /nfs/dbraw/zinc/07/19/28/572071928.db2.gz HZQSXSCTVBDHPC-DTWKUNHWSA-N 1 3 174.288 0.426 10 0 ACAEHO COCCN(CCC[NH3+])C(C)C 36883457 572073434 /nfs/dbraw/zinc/07/34/34/572073434.db2.gz FFGFPYBSEOKXGJ-UHFFFAOYSA-N 1 3 174.288 0.692 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCN(C)C[C@H]1C 300357448 572129722 /nfs/dbraw/zinc/12/97/22/572129722.db2.gz ZEZWIPJTLNEHNN-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](C1CC1)N1CCO[C@H](CC[NH3+])C1 308397364 573493786 /nfs/dbraw/zinc/49/37/86/573493786.db2.gz RRVOPKPLVSAUFG-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCCOCC2)C1 83426319 573493854 /nfs/dbraw/zinc/49/38/54/573493854.db2.gz JNVLJRSRYVSMJY-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@@H]2CCCOCC2)C1 83426319 573493859 /nfs/dbraw/zinc/49/38/59/573493859.db2.gz JNVLJRSRYVSMJY-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO CC(C)N1[C@@H](C)CN(C)C[C@@H]1CC[NH3+] 219817384 572111768 /nfs/dbraw/zinc/11/17/68/572111768.db2.gz DCVITPKEJYAPMH-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC[C@@H](O)CCN[C@@H](C)C1C[NH2+]C1 686245504 573493898 /nfs/dbraw/zinc/49/38/98/573493898.db2.gz XDSUYBCWTYPKMT-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H](O)CC[NH2+][C@@H](C)C1CNC1 686245504 573493905 /nfs/dbraw/zinc/49/39/05/573493905.db2.gz XDSUYBCWTYPKMT-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)[C@@H]1CCN(C)C1 258692464 573495209 /nfs/dbraw/zinc/49/52/09/573495209.db2.gz FYCPLFKEEVLGCK-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN(CC[C@H]([NH3+])CO)CC1CCC1 82881180 572161203 /nfs/dbraw/zinc/16/12/03/572161203.db2.gz IVDAJJJXAYFRPY-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO Nc1ccc2cnc(CCC[NH3+])n2c1 258047837 573498247 /nfs/dbraw/zinc/49/82/47/573498247.db2.gz BLHWQEFPVWTSES-UHFFFAOYSA-N 1 3 190.250 0.808 10 0 ACAEHO COCCN[C@]1(C[NH3+])CCC[C@H]1C 83392764 572208228 /nfs/dbraw/zinc/20/82/28/572208228.db2.gz CGWKCYHHBIVFCZ-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CN[C@@H](C[NH2+]C)C1CCOCC1 259477506 573499298 /nfs/dbraw/zinc/49/92/98/573499298.db2.gz PMTDRVKVHNFXAY-VIFPVBQESA-N 1 3 172.272 0.220 10 0 ACAEHO CC(C)[C@H](CN)C[NH2+]C1CC1 83607378 572343402 /nfs/dbraw/zinc/34/34/02/572343402.db2.gz SUDYCTSRKQVRLF-MRVPVSSYSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(C)[C@H](C[NH3+])CNC1CC1 83607378 572343405 /nfs/dbraw/zinc/34/34/05/572343405.db2.gz SUDYCTSRKQVRLF-MRVPVSSYSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)[C@@H](C)COC 83607951 572346766 /nfs/dbraw/zinc/34/67/66/572346766.db2.gz IFHMROKXOPFYDL-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@@H]([NH3+])CCNCc1ccc[nH]1 258711209 573506276 /nfs/dbraw/zinc/50/62/76/573506276.db2.gz HVRIIXMHVISKLK-MRVPVSSYSA-N 1 3 167.256 0.842 10 0 ACAEHO C[NH2+]C[C@@H](CNCCOC)C(C)C 258707419 573507196 /nfs/dbraw/zinc/50/71/96/573507196.db2.gz SBJOTHPQHRFNLZ-JTQLQIEISA-N 1 3 188.315 0.714 10 0 ACAEHO C[C@H]1CCC[C@@](C[NH3+])(NCCO)C1 83758380 572396230 /nfs/dbraw/zinc/39/62/30/572396230.db2.gz UHMVMDIKIXESAH-VHSXEESVSA-N 1 3 186.299 0.476 10 0 ACAEHO [NH3+]C1(CCN2CCC[C@H](CO)C2)CC1 74237009 572437324 /nfs/dbraw/zinc/43/73/24/572437324.db2.gz ZVZKZZJSVUHYCX-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO NC1(CC[N@@H+]2CCC[C@H](CO)C2)CC1 74237009 572437327 /nfs/dbraw/zinc/43/73/27/572437327.db2.gz ZVZKZZJSVUHYCX-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO NC1(CC[N@H+]2CCC[C@H](CO)C2)CC1 74237009 572437329 /nfs/dbraw/zinc/43/73/29/572437329.db2.gz ZVZKZZJSVUHYCX-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO [NH3+]C1(CCN2CCC[C@@H](CO)C2)CC1 74237011 572437370 /nfs/dbraw/zinc/43/73/70/572437370.db2.gz ZVZKZZJSVUHYCX-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO NC1(CC[N@@H+]2CCC[C@@H](CO)C2)CC1 74237011 572437371 /nfs/dbraw/zinc/43/73/71/572437371.db2.gz ZVZKZZJSVUHYCX-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO NC1(CC[N@H+]2CCC[C@@H](CO)C2)CC1 74237011 572437373 /nfs/dbraw/zinc/43/73/73/572437373.db2.gz ZVZKZZJSVUHYCX-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO C[C@H](O)[C@@H](N)[C@@H]1CCC[N@H+](C)C1 259480456 573512587 /nfs/dbraw/zinc/51/25/87/573512587.db2.gz YDBMWZBESFSWAZ-DJLDLDEBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)[C@@H](N)[C@@H]1CCC[N@@H+](C)C1 259480456 573512592 /nfs/dbraw/zinc/51/25/92/573512592.db2.gz YDBMWZBESFSWAZ-DJLDLDEBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](CN)C[NH2+]CCCn1ccnc1 308602155 573512602 /nfs/dbraw/zinc/51/26/02/573512602.db2.gz DOWGYNNAEXKVFC-SNVBAGLBSA-N 1 3 196.298 0.458 10 0 ACAEHO CC(C)N1CCN(C)C[C@H]1CC[NH3+] 250745681 572532748 /nfs/dbraw/zinc/53/27/48/572532748.db2.gz MINWPGGIUQQWBS-SNVBAGLBSA-N 1 3 185.315 0.360 10 0 ACAEHO C[NH2+][C@H]1CCCN2CCC[C@@H]12 250770507 572532784 /nfs/dbraw/zinc/53/27/84/572532784.db2.gz USDUKZHKJLLHBL-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CCC[N@@H+]2CCC[C@@H]12 250770507 572532786 /nfs/dbraw/zinc/53/27/86/572532786.db2.gz USDUKZHKJLLHBL-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CCC[N@H+]2CCC[C@@H]12 250770507 572532788 /nfs/dbraw/zinc/53/27/88/572532788.db2.gz USDUKZHKJLLHBL-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO COCCC[NH2+]C[C@@H](C)CN 258725686 573513232 /nfs/dbraw/zinc/51/32/32/573513232.db2.gz MDLRKWPJEXCEIF-QMMMGPOBSA-N 1 3 160.261 0.207 10 0 ACAEHO CO[C@@H]1C[C@H]([N@H+](C)CCN)C12CCC2 308396402 573513808 /nfs/dbraw/zinc/51/38/08/573513808.db2.gz QDGVDSHRDMJXDN-VHSXEESVSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1C[C@H]([N@@H+](C)CCN)C12CCC2 308396402 573513816 /nfs/dbraw/zinc/51/38/16/573513816.db2.gz QDGVDSHRDMJXDN-VHSXEESVSA-N 1 3 198.310 0.835 10 0 ACAEHO C[NH2+]C[C@H]1CN(C(C)C)CCCN1C 250788145 572535739 /nfs/dbraw/zinc/53/57/39/572535739.db2.gz YXEQHYIMSWXOAR-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@@H](CO)CC[N@@H+]1CC[C@@H](C)C1 223051575 572535775 /nfs/dbraw/zinc/53/57/75/572535775.db2.gz JGVCSKDAXGRHDL-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@@H](CO)CC[N@H+]1CC[C@@H](C)C1 223051575 572535779 /nfs/dbraw/zinc/53/57/79/572535779.db2.gz JGVCSKDAXGRHDL-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+][C@@H](CO)CCN1CC[C@@H](C)C1 223051575 572535781 /nfs/dbraw/zinc/53/57/81/572535781.db2.gz JGVCSKDAXGRHDL-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO OC[C@@H]1CCCN1CC[C@H]1CCC[NH2+]1 250985993 572537249 /nfs/dbraw/zinc/53/72/49/572537249.db2.gz BXPQPDWLWIJLFY-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C)CCN1CCN(C)C 251702628 572615613 /nfs/dbraw/zinc/61/56/13/572615613.db2.gz OECHOJIXOJTMON-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO [NH3+]C[C@]1(NC2CCC2)CCCOC1 257822732 573519076 /nfs/dbraw/zinc/51/90/76/573519076.db2.gz GGZKXTQNKZPFBV-SNVBAGLBSA-N 1 3 184.283 0.636 10 0 ACAEHO C[NH2+][C@H]1CC[C@@H](N(C)C)C1 86618515 573518756 /nfs/dbraw/zinc/51/87/56/573518756.db2.gz HYXQFUNUJXITIU-JGVFFNPUSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@H](N[C@@H]1C[C@H]1C)C1C[NH2+]C1 686245915 573518841 /nfs/dbraw/zinc/51/88/41/573518841.db2.gz RBHRRFWTIFOCRW-BKPPORCPSA-N 1 3 154.257 0.592 10 0 ACAEHO C[C@H]([NH2+][C@@H]1C[C@H]1C)C1CNC1 686245915 573518848 /nfs/dbraw/zinc/51/88/48/573518848.db2.gz RBHRRFWTIFOCRW-BKPPORCPSA-N 1 3 154.257 0.592 10 0 ACAEHO NC[C@]1(F)CC[C@@H]([NH3+])C1 257822933 573518916 /nfs/dbraw/zinc/51/89/16/573518916.db2.gz FLUVKWXUKOSRFI-RITPCOANSA-N 1 3 132.182 0.165 10 0 ACAEHO CC[C@](C)(O)CNC1CC([NH3+])C1 87652059 572637111 /nfs/dbraw/zinc/63/71/11/572637111.db2.gz PWUAAZADDZQBST-HACHORDNSA-N 1 3 172.272 0.227 10 0 ACAEHO CN[C@]1(CO)CCC[C@@H]([NH+](C)C)C1 86617070 573518995 /nfs/dbraw/zinc/51/89/95/573518995.db2.gz LRRIWAUJAHLAJS-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO COC(=O)C1C(=O)C[C@H]2CC[N@@H+](C)[C@H]12 250550315 572657790 /nfs/dbraw/zinc/65/77/90/572657790.db2.gz ABHKURFOKWRVSI-VDAHYXPESA-N 1 3 197.234 0.069 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](N)[C@@H]1CCCO1 238424429 573519043 /nfs/dbraw/zinc/51/90/43/573519043.db2.gz FZRFVGUFGWCXFU-RNJXMRFFSA-N 1 3 158.245 0.230 10 0 ACAEHO N[C@@H](C[NH3+])C1CCSCC1 258058371 573530695 /nfs/dbraw/zinc/53/06/95/573530695.db2.gz HZLHXMXYUSPDIF-ZETCQYMHSA-N 1 3 160.286 0.416 10 0 ACAEHO CN[C@H](C)N1CCC[NH2+][C@@H](C)C1 258058657 573530709 /nfs/dbraw/zinc/53/07/09/573530709.db2.gz ISROXYYPXSNBNZ-IUCAKERBSA-N 1 3 171.288 0.236 10 0 ACAEHO CCN1[C@H](C)CC[N@H+](C)C[C@H]1CNC 250368358 572678127 /nfs/dbraw/zinc/67/81/27/572678127.db2.gz VFCIFSRUBNAMLT-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1[C@H](C)CC[N@@H+](C)C[C@H]1CNC 250368358 572678130 /nfs/dbraw/zinc/67/81/30/572678130.db2.gz VFCIFSRUBNAMLT-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@@H](C)N1CCC[NH2+][C@@H](C)C1 258058654 573531348 /nfs/dbraw/zinc/53/13/48/573531348.db2.gz ISROXYYPXSNBNZ-DTWKUNHWSA-N 1 3 171.288 0.236 10 0 ACAEHO CC[C@@](C)(O)CN[C@@H](C)C1C[NH2+]C1 686246438 573531414 /nfs/dbraw/zinc/53/14/14/573531414.db2.gz LYSWYDQMDMHZPH-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@](C)(O)C[NH2+][C@@H](C)C1CNC1 686246438 573531419 /nfs/dbraw/zinc/53/14/19/573531419.db2.gz LYSWYDQMDMHZPH-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@](C)(O)CN[C@H](C)C1C[NH2+]C1 686246437 573531454 /nfs/dbraw/zinc/53/14/54/573531454.db2.gz LYSWYDQMDMHZPH-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@](C)(O)C[NH2+][C@H](C)C1CNC1 686246437 573531457 /nfs/dbraw/zinc/53/14/57/573531457.db2.gz LYSWYDQMDMHZPH-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[N@H+](C)[C@@H]1CC[C@](N)(CO)C1 86632804 573531460 /nfs/dbraw/zinc/53/14/60/573531460.db2.gz ACBKIQJPMYQVGP-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CC[C@](N)(CO)C1 86632804 573531465 /nfs/dbraw/zinc/53/14/65/573531465.db2.gz ACBKIQJPMYQVGP-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CN)C[NH2+]C1CC1 54345803 572680776 /nfs/dbraw/zinc/68/07/76/572680776.db2.gz IPJCDQWLOVXPQI-ZCFIWIBFSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H](C[NH3+])CNC1CC1 54345803 572680778 /nfs/dbraw/zinc/68/07/78/572680778.db2.gz IPJCDQWLOVXPQI-ZCFIWIBFSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[N@H+](C)[C@H]1CC[C@](N)(CO)C1 86632806 573531658 /nfs/dbraw/zinc/53/16/58/573531658.db2.gz ACBKIQJPMYQVGP-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CN)C[NH2+]CC1CC1 54345818 572680878 /nfs/dbraw/zinc/68/08/78/572680878.db2.gz MNYBXVOIFPFSMB-ZETCQYMHSA-N 1 3 142.246 0.581 10 0 ACAEHO CC[N@@H+](C)[C@H]1CC[C@](N)(CO)C1 86632806 573531663 /nfs/dbraw/zinc/53/16/63/573531663.db2.gz ACBKIQJPMYQVGP-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CN[C@@H](C)N1CCC[NH2+][C@H](C)C1 258058660 573531682 /nfs/dbraw/zinc/53/16/82/573531682.db2.gz ISROXYYPXSNBNZ-RKDXNWHRSA-N 1 3 171.288 0.236 10 0 ACAEHO N[C@@]1(CO)CC[C@H]([NH+]2CCCCC2)C1 86632009 573531948 /nfs/dbraw/zinc/53/19/48/573531948.db2.gz PSNTUHCZJBQOQV-QWRGUYRKSA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@@]1(CO)CC[C@H](N2CCCCC2)C1 86632009 573531953 /nfs/dbraw/zinc/53/19/53/573531953.db2.gz PSNTUHCZJBQOQV-QWRGUYRKSA-N 1 3 198.310 0.715 10 0 ACAEHO CN[C@]1(CO)CC[C@@H]([NH+](C)C)C1 86632611 573535363 /nfs/dbraw/zinc/53/53/63/573535363.db2.gz PNMDMOKOWKKGRT-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO CCCC1=[NH+][C@H]2CCNC[C@H]2N1 258052947 573535376 /nfs/dbraw/zinc/53/53/76/573535376.db2.gz RNBIDSWURAMWCW-JGVFFNPUSA-N 1 3 167.256 0.519 10 0 ACAEHO CN[C@@]1(CO)CC[C@H]([NH+]2CCCC2)C1 86632223 573535457 /nfs/dbraw/zinc/53/54/57/573535457.db2.gz LEDYTZJHOUMDMK-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO C[NH2+][C@@]1(CO)CC[C@H](N2CCCC2)C1 86632223 573535460 /nfs/dbraw/zinc/53/54/60/573535460.db2.gz LEDYTZJHOUMDMK-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO OSCCN[C@@H]1CCC[NH2+]CC1 527081062 572721663 /nfs/dbraw/zinc/72/16/63/572721663.db2.gz FCIXQHSTJUGOQZ-MRVPVSSYSA-N 1 3 189.304 0.797 10 0 ACAEHO CCN(CC)[C@@]1(C[NH3+])CCCNC1 257828559 573535730 /nfs/dbraw/zinc/53/57/30/573535730.db2.gz IIEOGHHFZAIBKG-SNVBAGLBSA-N 1 3 185.315 0.409 10 0 ACAEHO CCCC1=[NH+][C@H]2CCNC[C@@H]2N1 258052955 573536151 /nfs/dbraw/zinc/53/61/51/573536151.db2.gz RNBIDSWURAMWCW-YUMQZZPRSA-N 1 3 167.256 0.519 10 0 ACAEHO COC[C@@H](C)C[NH2+][C@@H](C)C1CNC1 686246564 573536502 /nfs/dbraw/zinc/53/65/02/573536502.db2.gz UHTNEKPCHOIDLS-IUCAKERBSA-N 1 3 186.299 0.466 10 0 ACAEHO C1C[NH2+][C@@H](CCNC2CCOCC2)C1 259104305 573536517 /nfs/dbraw/zinc/53/65/17/573536517.db2.gz USQZNBPAQBGROM-SNVBAGLBSA-N 1 3 198.310 0.897 10 0 ACAEHO CCCC1=[NH+][C@@H]2CCNC[C@@H]2N1 258052951 573536532 /nfs/dbraw/zinc/53/65/32/573536532.db2.gz RNBIDSWURAMWCW-SFYZADRCSA-N 1 3 167.256 0.519 10 0 ACAEHO CN1CCC[C@@]2(CCC[C@@H](C[NH3+])O2)C1 686238268 572736255 /nfs/dbraw/zinc/73/62/55/572736255.db2.gz VZSZNUJLPIQADN-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CCCN(C)CCNC[C@@H]1CCC[NH2+]1 688689111 572738800 /nfs/dbraw/zinc/73/88/00/572738800.db2.gz SNFCGOZARYNANX-NSHDSACASA-N 1 3 199.342 0.670 10 0 ACAEHO CC[C@@H](C)[NH2+][C@H](C)C1CNC1 686246614 573541539 /nfs/dbraw/zinc/54/15/39/573541539.db2.gz WDHYWOXANGCJIT-HTQZYQBOSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@](N)(C[NH3+])CNCc1ccccc1 238434461 573541548 /nfs/dbraw/zinc/54/15/48/573541548.db2.gz INTNCKHPQHWNLD-LLVKDONJSA-N 1 3 193.294 0.452 10 0 ACAEHO C[C@@]([NH3+])(CN)CNCc1ccccc1 238434461 573541552 /nfs/dbraw/zinc/54/15/52/573541552.db2.gz INTNCKHPQHWNLD-LLVKDONJSA-N 1 3 193.294 0.452 10 0 ACAEHO CC[C@]1(NC[C@@H]2CC[NH2+]C2)CCOC1 393532801 573541589 /nfs/dbraw/zinc/54/15/89/573541589.db2.gz YOCWHGLQTZJBKD-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO CC[C@H](C)[NH2+][C@H](C)C1CNC1 686246615 573541754 /nfs/dbraw/zinc/54/17/54/573541754.db2.gz WDHYWOXANGCJIT-JGVFFNPUSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)[C@H](CO)[NH2+][C@@H](C)C1CNC1 686246759 573544205 /nfs/dbraw/zinc/54/42/05/573544205.db2.gz CEGGSYAWFHYTET-WPRPVWTQSA-N 1 3 186.299 0.201 10 0 ACAEHO CC[C@@H](CN[C@@H](C)C1C[NH2+]C1)OC 686246577 573545576 /nfs/dbraw/zinc/54/55/76/573545576.db2.gz URMNGLHXZLZXFA-WPRPVWTQSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@@H](C[NH2+][C@@H](C)C1CNC1)OC 686246577 573545578 /nfs/dbraw/zinc/54/55/78/573545578.db2.gz URMNGLHXZLZXFA-WPRPVWTQSA-N 1 3 186.299 0.609 10 0 ACAEHO CSCCN(C)C/C=C\C[NH3+] 307909361 572754335 /nfs/dbraw/zinc/75/43/35/572754335.db2.gz YCNGTQIIQUKEQX-ARJAWSKDSA-N 1 3 174.313 0.796 10 0 ACAEHO CCN(CCN(C)C)[C@H]1CC[NH2+]C1 70899984 572754366 /nfs/dbraw/zinc/75/43/66/572754366.db2.gz FBYQLCYOJPQFQJ-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@@]1(NC[C@@H]2CC[NH2+]C2)CCOC1 393532799 573545647 /nfs/dbraw/zinc/54/56/47/573545647.db2.gz YOCWHGLQTZJBKD-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@H]([NH3+])CCNCCc1ccccn1 258767509 573546057 /nfs/dbraw/zinc/54/60/57/573546057.db2.gz NSTVWRFZSLIGLH-SNVBAGLBSA-N 1 3 193.294 0.951 10 0 ACAEHO C[C@@H]1CC[C@@]1(C[NH3+])NC[C@@H]1CCCO1 308626249 573546088 /nfs/dbraw/zinc/54/60/88/573546088.db2.gz WMPATMWZZFXRMQ-VWYCJHECSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1CC[C@]1(C[NH3+])NC[C@@H]1CCCO1 308626248 573546136 /nfs/dbraw/zinc/54/61/36/573546136.db2.gz WMPATMWZZFXRMQ-OUAUKWLOSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H](CCC[NH3+])N1C[C@@H]2CC[C@H](C1)O2 85541656 572760394 /nfs/dbraw/zinc/76/03/94/572760394.db2.gz SQSQPVFKVRZEMX-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CN1CC[C@]2(CC[C@](C)(C[NH3+])O2)C1 686236621 572760414 /nfs/dbraw/zinc/76/04/14/572760414.db2.gz ZEIHFQYHRAVKBW-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO CCC[C@H]([NH3+])C[C@@H]1CN(C)CCN1 259119175 573549209 /nfs/dbraw/zinc/54/92/09/573549209.db2.gz AHZBMZDZKBSETL-VHSXEESVSA-N 1 3 185.315 0.408 10 0 ACAEHO COCC[C@@H](C)[NH2+][C@H](C)C1CNC1 686247007 573549214 /nfs/dbraw/zinc/54/92/14/573549214.db2.gz QVVAYGPLPZDEAG-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CCO[C@]1(CN)CCC[N@H+](C)C1 257825995 573549261 /nfs/dbraw/zinc/54/92/61/573549261.db2.gz HHZQYBMBPZWCPB-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CCO[C@]1(CN)CCC[N@@H+](C)C1 257825995 573549265 /nfs/dbraw/zinc/54/92/65/573549265.db2.gz HHZQYBMBPZWCPB-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO NC(=[NH2+])CCCN1C[C@@H]2CC[C@H](C1)O2 85540531 572761346 /nfs/dbraw/zinc/76/13/46/572761346.db2.gz VJOLGSKZGQSEMG-DTORHVGOSA-N 1 3 197.282 0.566 10 0 ACAEHO C1CCC([NH2+]CC[C@H]2CNCCO2)C1 85621125 572776690 /nfs/dbraw/zinc/77/66/90/572776690.db2.gz JPWDYKFQRRUDND-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO CN(C)CCNCC[C@H]1CCCC[NH2+]1 258775697 573557206 /nfs/dbraw/zinc/55/72/06/573557206.db2.gz QHASAFMIVQTUKR-LLVKDONJSA-N 1 3 199.342 0.670 10 0 ACAEHO CC1C[NH+]([C@@H]2CCC[C@@H]2N)C1 86678269 573557210 /nfs/dbraw/zinc/55/72/10/573557210.db2.gz NQLRRWGESLHBDR-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)[N@H+](C)CC[C@H]1CNCCO1 85620704 572776876 /nfs/dbraw/zinc/77/68/76/572776876.db2.gz OUUZAZBXRMAOMK-JTQLQIEISA-N 1 3 186.299 0.705 10 0 ACAEHO CC(C)[N@@H+](C)CC[C@H]1CNCCO1 85620704 572776878 /nfs/dbraw/zinc/77/68/78/572776878.db2.gz OUUZAZBXRMAOMK-JTQLQIEISA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+]CC[C@@H]1CNCCO1 85621437 572776889 /nfs/dbraw/zinc/77/68/89/572776889.db2.gz RGQMJGBIGOBATM-BBBLOLIVSA-N 1 3 184.283 0.363 10 0 ACAEHO CC[C@H](N)C[N@@H+]1CCC[C@H]1CO 307927390 572777014 /nfs/dbraw/zinc/77/70/14/572777014.db2.gz QKAGJIROUVYQFW-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@H](N)C[N@H+]1CCC[C@H]1CO 307927390 572777017 /nfs/dbraw/zinc/77/70/17/572777017.db2.gz QKAGJIROUVYQFW-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](NCCCF)C1C[NH2+]C1 686247072 573557270 /nfs/dbraw/zinc/55/72/70/573557270.db2.gz TWHINCRHUUIRHQ-ZETCQYMHSA-N 1 3 160.236 0.544 10 0 ACAEHO C[C@H]([NH2+]CCCF)C1CNC1 686247072 573557274 /nfs/dbraw/zinc/55/72/74/573557274.db2.gz TWHINCRHUUIRHQ-ZETCQYMHSA-N 1 3 160.236 0.544 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H](C)[C@H](C)CO 308118632 572777746 /nfs/dbraw/zinc/77/77/46/572777746.db2.gz NPLCBSJFSROHBP-XAVMHZPKSA-N 1 3 174.288 0.329 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CCNC[C@H]1C 308118376 572777841 /nfs/dbraw/zinc/77/78/41/572777841.db2.gz BHVSSXLUYXBCLB-KXUCPTDWSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CC[NH2+]C[C@H]1C 308118376 572777844 /nfs/dbraw/zinc/77/78/44/572777844.db2.gz BHVSSXLUYXBCLB-KXUCPTDWSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H](C)C1[NH3+] 107396866 573559586 /nfs/dbraw/zinc/55/95/86/573559586.db2.gz REHGUQDUHGIXBX-RNFRBKRXSA-N 1 3 142.246 0.531 10 0 ACAEHO C[C@@H]([NH3+])CCN1CC[C@H]1C 86678204 573559618 /nfs/dbraw/zinc/55/96/18/573559618.db2.gz PFATURUCIHTNRT-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO COCC[C@@H](CN)C[NH2+]C1CCC1 258060784 573559646 /nfs/dbraw/zinc/55/96/46/573559646.db2.gz ICMVKLREBZHBBO-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO NCc1csc(CC[NH3+])n1 83577082 573559650 /nfs/dbraw/zinc/55/96/50/573559650.db2.gz NEWJTQNWKRXUMK-UHFFFAOYSA-N 1 3 157.242 0.103 10 0 ACAEHO C[NH2+][C@@H](C)CC1CN(C)C1 107396851 573559862 /nfs/dbraw/zinc/55/98/62/573559862.db2.gz OJLDQISIQZTPQI-ZETCQYMHSA-N 1 3 142.246 0.546 10 0 ACAEHO CCC1C[NH+]([C@H](C)CN)C1 86678881 573561214 /nfs/dbraw/zinc/56/12/14/573561214.db2.gz ALUAPIKLQKXOQS-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](C)CN(C)C1 49663025 572795413 /nfs/dbraw/zinc/79/54/13/572795413.db2.gz FOKWCYFSTFRKHM-RKDXNWHRSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCCc1ncc[nH]1 308132069 572798137 /nfs/dbraw/zinc/79/81/37/572798137.db2.gz KAMACSRWNSLNOV-HTQZYQBOSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]CCc1ncc[nH]1 308132069 572798138 /nfs/dbraw/zinc/79/81/38/572798138.db2.gz KAMACSRWNSLNOV-HTQZYQBOSA-N 1 3 182.271 0.278 10 0 ACAEHO CN1CC(CCC2([NH3+])CC2)C1 107398757 573561330 /nfs/dbraw/zinc/56/13/30/573561330.db2.gz NYIUELCUUADAPR-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO O[C@@H]1CN[C@H](C[NH2+]CCCCF)C1 308135147 572817709 /nfs/dbraw/zinc/81/77/09/572817709.db2.gz NMGHDMCVWVIXMO-IUCAKERBSA-N 1 3 190.262 0.049 10 0 ACAEHO C[C@H]1CCN1CC[C@@H](C)[NH3+] 86678206 573561831 /nfs/dbraw/zinc/56/18/31/573561831.db2.gz PFATURUCIHTNRT-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CN1CC[C@H]([NH3+])C2(CCC2)C1 107398834 573561658 /nfs/dbraw/zinc/56/16/58/573561658.db2.gz SZUHNMMGMOCPJV-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CN(C)CCN1C[C@H]2CCC[NH2+][C@H]2C1 299891217 572834890 /nfs/dbraw/zinc/83/48/90/572834890.db2.gz KDFIYBNBLGLUBS-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCNC[C@H](C)C1 299893547 572834908 /nfs/dbraw/zinc/83/49/08/572834908.db2.gz MFOFDHAYNWWKJF-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO COC1CC(N2CCC[C@@H](C[NH3+])C2)C1 234610486 572835717 /nfs/dbraw/zinc/83/57/17/572835717.db2.gz UHHJFROZAHOSSY-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H](CN1CCCC1)NC[C@H](C)C[NH3+] 308621206 573561780 /nfs/dbraw/zinc/56/17/80/573561780.db2.gz VRDHNZLGICJMOF-MNOVXSKESA-N 1 3 199.342 0.655 10 0 ACAEHO CCC1C[NH+]([C@@H](C)CN)C1 86678879 573562901 /nfs/dbraw/zinc/56/29/01/573562901.db2.gz ALUAPIKLQKXOQS-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1C[C@@H](C)[C@@H](C)C1 86009083 572843872 /nfs/dbraw/zinc/84/38/72/572843872.db2.gz GNYJGUKWVRWYQK-KXUCPTDWSA-N 1 3 186.299 0.155 10 0 ACAEHO C[C@H]1[NH2+]CC[C@H]1N(C)CCN(C)C 308150700 572844617 /nfs/dbraw/zinc/84/46/17/572844617.db2.gz QOGZRMGJTIJMNU-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@@H]1N 86678282 573563679 /nfs/dbraw/zinc/56/36/79/573563679.db2.gz LFLYBGRCHHMIKA-HRDYMLBCSA-N 1 3 154.257 0.960 10 0 ACAEHO CNC[C@@H]1C[C@@H]2CCC[N@@H+]2C1 107398807 573563680 /nfs/dbraw/zinc/56/36/80/573563680.db2.gz PEQTZXALEOXFFN-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]1N 86678282 573563684 /nfs/dbraw/zinc/56/36/84/573563684.db2.gz LFLYBGRCHHMIKA-HRDYMLBCSA-N 1 3 154.257 0.960 10 0 ACAEHO CNC[C@@H]1C[C@@H]2CCC[N@H+]2C1 107398807 573563686 /nfs/dbraw/zinc/56/36/86/573563686.db2.gz PEQTZXALEOXFFN-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO COC1CC([N@H+]2CC[C@@H](CN)C2)C1 234615290 572845179 /nfs/dbraw/zinc/84/51/79/572845179.db2.gz JMWTXNXFJFSBSQ-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC2(CCOCC2)C1 86681930 573565261 /nfs/dbraw/zinc/56/52/61/573565261.db2.gz UUOHMCYRQAXSFD-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CN1CC[C@H]2[NH2+]CC[C@]2(C(F)F)C1 257831156 573565268 /nfs/dbraw/zinc/56/52/68/573565268.db2.gz JFRWTKDREXOIGM-APPZFPTMSA-N 1 3 190.237 0.935 10 0 ACAEHO CCN(CCO)[C@H]1CCC[C@@H]([NH3+])C1 223133816 572867466 /nfs/dbraw/zinc/86/74/66/572867466.db2.gz JAUKVFKFCKHGHP-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)[C@@H](CO)[NH2+]C1CCNCC1 86121558 572867480 /nfs/dbraw/zinc/86/74/80/572867480.db2.gz JPWOITFXQDJSQB-SNVBAGLBSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)[C@@H](CO)NC1CC[NH2+]CC1 86121558 572867482 /nfs/dbraw/zinc/86/74/82/572867482.db2.gz JPWOITFXQDJSQB-SNVBAGLBSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)[NH2+]C1(CN)CCN(C)CC1 50270932 572872456 /nfs/dbraw/zinc/87/24/56/572872456.db2.gz YJGJRDTVGZWHHD-UHFFFAOYSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@@H]1CN(C)CCCN1[C@@H]1CC[NH2+]C1 235402019 572915443 /nfs/dbraw/zinc/91/54/43/572915443.db2.gz SEXLHQYKCLXEST-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CCC1CN(C[C@H](C)C[NH3+])C1 86682133 573569545 /nfs/dbraw/zinc/56/95/45/573569545.db2.gz XMPIHHUGMSTMPM-MRVPVSSYSA-N 1 3 156.273 0.923 10 0 ACAEHO CC1CN([C@@H](C)CC[NH3+])C1 86681916 573569599 /nfs/dbraw/zinc/56/95/99/573569599.db2.gz SEZZOHAVRXJUOF-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CCCN(CCO)[C@H]1CC[C@@H]([NH3+])C1 223139698 572903680 /nfs/dbraw/zinc/90/36/80/572903680.db2.gz YNMSEPOBXALWPP-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CN(C)CC(C)(C)O)C(N)=[NH2+] 86273899 572903740 /nfs/dbraw/zinc/90/37/40/572903740.db2.gz SZYFSZCQUGPQKL-SSDOTTSWSA-N 1 3 187.287 0.261 10 0 ACAEHO C[C@@H](C[NH3+])CCN1CCO[C@H](C)C1 87989177 572903796 /nfs/dbraw/zinc/90/37/96/572903796.db2.gz NBOLTHMOPJRYPG-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]1[NH2+]CC[C@H]1CN(C)CCN(C)C 86273172 572903846 /nfs/dbraw/zinc/90/38/46/572903846.db2.gz MLHSLLFZDXWBMB-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1CN(C)CCN(C)C 86273175 572903859 /nfs/dbraw/zinc/90/38/59/572903859.db2.gz MLHSLLFZDXWBMB-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO COCC[C@@]1([NH3+])CCN2CCC[C@H]1C2 250483154 572903876 /nfs/dbraw/zinc/90/38/76/572903876.db2.gz XMPSTPCZNMTBRY-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H](O)CCN(C)CCC(C)(C)[NH3+] 308178220 572903905 /nfs/dbraw/zinc/90/39/05/572903905.db2.gz BIWUYOTWDHIVFO-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@H]1CCCN(C)C1 258778100 573569786 /nfs/dbraw/zinc/56/97/86/573569786.db2.gz OUYCPPLYCYPQDZ-ZJUUUORDSA-N 1 3 185.315 0.408 10 0 ACAEHO CCN(CC)CC[NH2+][C@@H](C)[C@H](C)N 308188443 572915418 /nfs/dbraw/zinc/91/54/18/572915418.db2.gz HKPUFVTVKSFPCD-UWVGGRQHSA-N 1 3 187.331 0.654 10 0 ACAEHO C1C[C@H]2C[C@]3(CC[NH2+]C3)CN2C1 107403179 573572959 /nfs/dbraw/zinc/57/29/59/573572959.db2.gz NRODXTDYNISAED-UWVGGRQHSA-N 1 3 166.268 0.834 10 0 ACAEHO CC[C@@H](C[NH2+]C)O[C@H]1CCN(C)C1 308188501 572917130 /nfs/dbraw/zinc/91/71/30/572917130.db2.gz HNCADJXSKBAQCF-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CNCc1ccnn1C1CC[NH2+]CC1 257829727 573573260 /nfs/dbraw/zinc/57/32/60/573573260.db2.gz IUROHHUHJIWOEC-UHFFFAOYSA-N 1 3 194.282 0.527 10 0 ACAEHO CCN(CCO)[C@@H]1CC[C@H]([NH3+])C1 86431620 572937858 /nfs/dbraw/zinc/93/78/58/572937858.db2.gz NIRRIVGGSQANCN-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N(CCO)C2CC2)C1 86432277 572937881 /nfs/dbraw/zinc/93/78/81/572937881.db2.gz PFAPTUQSSXEVAT-KOLCDFICSA-N 1 3 198.310 0.713 10 0 ACAEHO CCN(CCO)[C@H]1CCC[C@H]([NH3+])C1 86431618 572937914 /nfs/dbraw/zinc/93/79/14/572937914.db2.gz JAUKVFKFCKHGHP-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO COCCN(C)[C@@H]1CCC[C@H]([NH3+])C1 86431848 572937957 /nfs/dbraw/zinc/93/79/57/572937957.db2.gz RVXOWMPCIMLXKP-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(=O)Oc1c(CN)cccc1C[NH3+] 238111530 572937971 /nfs/dbraw/zinc/93/79/71/572937971.db2.gz BNNCSYZJMCHWEP-UHFFFAOYSA-N 1 3 194.234 0.529 10 0 ACAEHO CO[C@H](C)CN(C)C[C@@H](C)[C@H](C)[NH3+] 308203037 572930187 /nfs/dbraw/zinc/93/01/87/572930187.db2.gz FZTIPCKDUGQZBQ-BBBLOLIVSA-N 1 3 188.315 0.936 10 0 ACAEHO COC(=O)CCN[C@@H]1CC[C@@H]([NH3+])C1 86398271 572931004 /nfs/dbraw/zinc/93/10/04/572931004.db2.gz IFDCVRZIGCCNEC-HTQZYQBOSA-N 1 3 186.255 0.019 10 0 ACAEHO CCN(CC)CCN[C@H]1CC[C@@H]([NH3+])C1 86397296 572931019 /nfs/dbraw/zinc/93/10/19/572931019.db2.gz CVELQPPPAXLWCF-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO CC(C)N1CC[C@@H]([NH3+])[C@@H](CO)C1 250533110 572931045 /nfs/dbraw/zinc/93/10/45/572931045.db2.gz XXLCBRUYWGIKSI-RKDXNWHRSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H](N)[C@@H](CO)C1 250533110 572931047 /nfs/dbraw/zinc/93/10/47/572931047.db2.gz XXLCBRUYWGIKSI-RKDXNWHRSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H](N)[C@@H](CO)C1 250533110 572931050 /nfs/dbraw/zinc/93/10/50/572931050.db2.gz XXLCBRUYWGIKSI-RKDXNWHRSA-N 1 3 172.272 0.036 10 0 ACAEHO COCCCC[NH2+][C@H]1CC[C@H](N)C1 86400017 572931079 /nfs/dbraw/zinc/93/10/79/572931079.db2.gz ZRJHTSVQKJVZFF-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NCCn2cccn2)C1 86399751 572931086 /nfs/dbraw/zinc/93/10/86/572931086.db2.gz NRRWAGDEQNUZOA-ZJUUUORDSA-N 1 3 194.282 0.353 10 0 ACAEHO CN(C)CCO[C@@H]1CC[C@@H]([NH3+])C1 86406796 572934791 /nfs/dbraw/zinc/93/47/91/572934791.db2.gz QOMUUGZBBCKARJ-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CCC[C@H]([NH3+])C1 86432879 572937735 /nfs/dbraw/zinc/93/77/35/572937735.db2.gz DAZLELSTOYGDAG-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CCO)[C@@H]1CCC[C@H]([NH3+])C1 86431616 572937745 /nfs/dbraw/zinc/93/77/45/572937745.db2.gz JAUKVFKFCKHGHP-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H]1CCO 308196568 572937758 /nfs/dbraw/zinc/93/77/58/572937758.db2.gz MZGHDLOTJMIHDO-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H]1CCO 308196568 572937760 /nfs/dbraw/zinc/93/77/60/572937760.db2.gz MZGHDLOTJMIHDO-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN(CCOC)[C@H]1CC[C@H]([NH3+])C1 86432022 572937774 /nfs/dbraw/zinc/93/77/74/572937774.db2.gz XFLLCSGQNSPLCT-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CNCN(C)CC[C@H]1CC[N@H+](C)C1 258795098 573576724 /nfs/dbraw/zinc/57/67/24/573576724.db2.gz CTWSOSQUCFTCLF-SNVBAGLBSA-N 1 3 185.315 0.437 10 0 ACAEHO CNCN(C)CC[C@H]1CC[N@@H+](C)C1 258795098 573576729 /nfs/dbraw/zinc/57/67/29/573576729.db2.gz CTWSOSQUCFTCLF-SNVBAGLBSA-N 1 3 185.315 0.437 10 0 ACAEHO CN1CC(C[C@@H]2CCC[NH2+]C2)C1 107404349 573576731 /nfs/dbraw/zinc/57/67/31/573576731.db2.gz PRRHXXXKBUDNLV-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO CC[C@@H]([NH2+]CCCN)[C@@H]1CCOC1 308196655 572940225 /nfs/dbraw/zinc/94/02/25/572940225.db2.gz RMIVKDSMUZOAND-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C1CNC1 686236639 572940243 /nfs/dbraw/zinc/94/02/43/572940243.db2.gz GPZAKTNDZNLJKJ-KKZNHRDASA-N 1 3 198.310 0.609 10 0 ACAEHO CCN(CC)CC[C@H](COC)[NH2+]C 86526897 572947899 /nfs/dbraw/zinc/94/78/99/572947899.db2.gz ROQVNEJIUDWRCE-SNVBAGLBSA-N 1 3 188.315 0.953 10 0 ACAEHO CN1CCC[C@H]([C@H]2[NH2+]CCO2)C1 258065407 573576830 /nfs/dbraw/zinc/57/68/30/573576830.db2.gz GUZMAWUGCWEGPC-IUCAKERBSA-N 1 3 170.256 0.274 10 0 ACAEHO C[C@H](C[NH3+])CN(C)[C@H]1CCN(C)C1 258803323 573585566 /nfs/dbraw/zinc/58/55/66/573585566.db2.gz RPPAMHWDVZIYKS-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO C[NH+](C)CCOc1ccncc1CN 88116055 572966677 /nfs/dbraw/zinc/96/66/77/572966677.db2.gz CFSQTIHACKCHKF-UHFFFAOYSA-N 1 3 195.266 0.481 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N(C)CCN(C)C)C1 86619523 572966680 /nfs/dbraw/zinc/96/66/80/572966680.db2.gz BKVDTRNGPZAFLE-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH+](C)[C@H]1CCC[C@]2(CNCCO2)C1 715227616 572998922 /nfs/dbraw/zinc/99/89/22/572998922.db2.gz HVJCLBJBOCBTJH-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CCC[N@H+](C)[C@H]1CC[C@](N)(CO)C1 86632768 572969052 /nfs/dbraw/zinc/96/90/52/572969052.db2.gz GBFUQQFYSSRYRU-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[N@@H+](C)[C@H]1CC[C@](N)(CO)C1 86632768 572969053 /nfs/dbraw/zinc/96/90/53/572969053.db2.gz GBFUQQFYSSRYRU-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO COCCCC[NH2+][C@@H]1CCNC1 86729505 572974387 /nfs/dbraw/zinc/97/43/87/572974387.db2.gz OATCYUFEZLEABK-SECBINFHSA-N 1 3 172.272 0.365 10 0 ACAEHO CC(C)[C@@H](CN(C)C)N[C@H]1CC[NH2+]C1 86729322 572974838 /nfs/dbraw/zinc/97/48/38/572974838.db2.gz JTSLLSZEPJSHJC-WDEREUQCSA-N 1 3 199.342 0.524 10 0 ACAEHO CCO[C@]1(CN)CC[N@H+](CC)C1 257833601 573587171 /nfs/dbraw/zinc/58/71/71/573587171.db2.gz KJDFFDFTPDPEPL-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CCO[C@]1(CN)CC[N@@H+](CC)C1 257833601 573587177 /nfs/dbraw/zinc/58/71/77/573587177.db2.gz KJDFFDFTPDPEPL-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CCO[C@]1(C[NH3+])CCN(CC)C1 257833601 573587183 /nfs/dbraw/zinc/58/71/83/573587183.db2.gz KJDFFDFTPDPEPL-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@H]([NH3+])CCNCc1cc[nH]c1 258806968 573587193 /nfs/dbraw/zinc/58/71/93/573587193.db2.gz RYQMBFOVEITIHT-QMMMGPOBSA-N 1 3 167.256 0.842 10 0 ACAEHO CC(C)([NH3+])CCNC[C@H](O)C1CC1 308219476 572999863 /nfs/dbraw/zinc/99/98/63/572999863.db2.gz NPDFYDSUVHTMRM-VIFPVBQESA-N 1 3 186.299 0.474 10 0 ACAEHO C1C[NH2+]C[C@H](C[C@H]2NCCO2)C1 258225722 573014529 /nfs/dbraw/zinc/01/45/29/573014529.db2.gz XZVVRSCASZTKBZ-IUCAKERBSA-N 1 3 170.256 0.322 10 0 ACAEHO C[C@@H]1CC[C@@H](N)[C@@H](C)[N@@H+]1C 238443806 573591402 /nfs/dbraw/zinc/59/14/02/573591402.db2.gz ZVQIGWHBPACQQI-BWZBUEFSSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H]1CC[C@@H](N)[C@@H](C)[N@H+]1C 238443806 573591408 /nfs/dbraw/zinc/59/14/08/573591408.db2.gz ZVQIGWHBPACQQI-BWZBUEFSSA-N 1 3 142.246 0.816 10 0 ACAEHO C[NH2+]CCCC(=O)[C@@H]1CCCN(C)C1 259314371 573029955 /nfs/dbraw/zinc/02/99/55/573029955.db2.gz XHTOMMLYOLFNHM-SNVBAGLBSA-N 1 3 198.310 0.897 10 0 ACAEHO [NH3+][C@H]1CC[C@@H]1N1CCCC1 113796278 573028902 /nfs/dbraw/zinc/02/89/02/573028902.db2.gz YWAAFNFTXHNEJP-YUMQZZPRSA-N 1 3 140.230 0.572 10 0 ACAEHO CC[C@H](O)CCNCCC(C)(C)[NH3+] 308230389 573029843 /nfs/dbraw/zinc/02/98/43/573029843.db2.gz SLJCRIZBRQSKMC-VIFPVBQESA-N 1 3 188.315 0.864 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+](C)C1 82411192 573030442 /nfs/dbraw/zinc/03/04/42/573030442.db2.gz AVYLWQISSNDGKL-NKWVEPMBSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+](C)C1 82411192 573030448 /nfs/dbraw/zinc/03/04/48/573030448.db2.gz AVYLWQISSNDGKL-NKWVEPMBSA-N 1 3 128.219 0.285 10 0 ACAEHO CC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 82431900 573035240 /nfs/dbraw/zinc/03/52/40/573035240.db2.gz JETWVHDLUFMNCP-ZJUUUORDSA-N 1 3 197.282 0.436 10 0 ACAEHO C[C@@H](CN)C[NH+]1CCC(C)(O)CC1 88022481 573038074 /nfs/dbraw/zinc/03/80/74/573038074.db2.gz XUYBKYPNLOLBEO-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO N[C@H](C[NH3+])[C@@H]1CC=CCC1 104584451 573040235 /nfs/dbraw/zinc/04/02/35/573040235.db2.gz AGDVMJJUDKWHMP-HTQZYQBOSA-N 1 3 140.230 0.629 10 0 ACAEHO C[C@@H]1[C@@H](CN)[N@@H+](C)[C@@H]1C 104589865 573047444 /nfs/dbraw/zinc/04/74/44/573047444.db2.gz YJKQNRAHNWGZPN-RRKCRQDMSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@@H]1[C@@H](CN)[N@H+](C)[C@@H]1C 104589865 573047446 /nfs/dbraw/zinc/04/74/46/573047446.db2.gz YJKQNRAHNWGZPN-RRKCRQDMSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCCCCCO 308249440 573051323 /nfs/dbraw/zinc/05/13/23/573051323.db2.gz DSQXKJIJGOVTSZ-JTQLQIEISA-N 1 3 188.315 0.724 10 0 ACAEHO CO[C@H](C[NH3+])CN[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 717082020 573051360 /nfs/dbraw/zinc/05/13/60/573051360.db2.gz VYHUWIOMVGXEKZ-VPJKUYQRSA-N 1 3 198.310 0.594 10 0 ACAEHO C/C(=C\[C@@H](N)CF)[C@@H](C)[NH3+] 104601651 573057864 /nfs/dbraw/zinc/05/78/64/573057864.db2.gz MEVPIRRZDMGTMM-DSDBXFMUSA-N 1 3 146.209 0.577 10 0 ACAEHO CC(C)([NH3+])CCNC1(CO)CCC1 308240391 573058195 /nfs/dbraw/zinc/05/81/95/573058195.db2.gz YDFIGCBUAJVHRG-UHFFFAOYSA-N 1 3 186.299 0.618 10 0 ACAEHO COC1CN(C[C@H](C)C2C[NH2+]C2)C1 308239284 573058257 /nfs/dbraw/zinc/05/82/57/573058257.db2.gz XKCDPIGJBJTXCO-QMMMGPOBSA-N 1 3 184.283 0.173 10 0 ACAEHO C[C@@H](N)C[C@H]1CCCC[NH2+]1 78724413 573595161 /nfs/dbraw/zinc/59/51/61/573595161.db2.gz BVFDJJDYLNAQTD-HTQZYQBOSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@@H]([NH3+])C[C@H]1CCCCN1 78724413 573595168 /nfs/dbraw/zinc/59/51/68/573595168.db2.gz BVFDJJDYLNAQTD-HTQZYQBOSA-N 1 3 142.246 0.866 10 0 ACAEHO CN(C)CCN1CCC(C)(C)[C@@H]([NH3+])C1 259134444 573595220 /nfs/dbraw/zinc/59/52/20/573595220.db2.gz DEFAWOJIYXJEQL-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1CN(C2CC[NH2+]CC2)CCN1C 82478215 573063019 /nfs/dbraw/zinc/06/30/19/573063019.db2.gz XNPDABLSLJPFQS-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCN1C 82478220 573063054 /nfs/dbraw/zinc/06/30/54/573063054.db2.gz CGYSBPWZQYALCL-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO NCC(C[NH3+])c1ccc[nH]1 104602203 573063066 /nfs/dbraw/zinc/06/30/66/573063066.db2.gz LRWHLUVZUQKHFR-UHFFFAOYSA-N 1 3 139.202 0.016 10 0 ACAEHO CNCc1cnc([C@H]2CCC[NH2+]2)o1 257940242 573063081 /nfs/dbraw/zinc/06/30/81/573063081.db2.gz FHGQPSMTDOOPSP-MRVPVSSYSA-N 1 3 181.239 0.819 10 0 ACAEHO C[C@@H]1CN(C(C)(C)C[NH3+])CCN1C 82477552 573063087 /nfs/dbraw/zinc/06/30/87/573063087.db2.gz MZDWMYOPICDELI-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H]1CN([C@@H](C)C[NH3+])CCN1C 82479762 573063121 /nfs/dbraw/zinc/06/31/21/573063121.db2.gz DJEYWICLYVVECW-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 82477485 573063140 /nfs/dbraw/zinc/06/31/40/573063140.db2.gz IDKGWLZNIHTJOH-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](C[NH3+])N1CCN(C)C(C)(C)C1 82477483 573063232 /nfs/dbraw/zinc/06/32/32/573063232.db2.gz WUUZCVZKCGTWMD-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCN(C)C(C)(C)C1 82478037 573063404 /nfs/dbraw/zinc/06/34/04/573063404.db2.gz ZPCCEWYLWXPLSR-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](CN1CCN(C)[C@H](C)C1)C(N)=[NH2+] 82483815 573072302 /nfs/dbraw/zinc/07/23/02/573072302.db2.gz FALIFYMHIRMHKB-RKDXNWHRSA-N 1 3 198.314 0.194 10 0 ACAEHO CN[C@H]1C[C@@]2(C)C[NH2+]C[C@@H]12 104612868 573072372 /nfs/dbraw/zinc/07/23/72/573072372.db2.gz KTQHWBXBTBQZNH-FXQIFTODSA-N 1 3 140.230 0.204 10 0 ACAEHO Cc1cnn(CCNC[C@H](C)C[NH3+])c1 308492009 573081123 /nfs/dbraw/zinc/08/11/23/573081123.db2.gz AEQMMJNNGOCZRZ-SECBINFHSA-N 1 3 196.298 0.376 10 0 ACAEHO Cc1cnn(CC[NH2+]C[C@H](C)CN)c1 308492009 573081130 /nfs/dbraw/zinc/08/11/30/573081130.db2.gz AEQMMJNNGOCZRZ-SECBINFHSA-N 1 3 196.298 0.376 10 0 ACAEHO CN1CC[C@@H](N(C)[C@@H]2CCC[NH2+]C2)C1 82499292 573081203 /nfs/dbraw/zinc/08/12/03/573081203.db2.gz HKLNQJFSXFZRJA-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO [NH3+][C@@H]1CCN(C2CC2)CC[C@H]1CO 215049329 573081260 /nfs/dbraw/zinc/08/12/60/573081260.db2.gz AUFUOHLXCOOKLV-WCBMZHEXSA-N 1 3 184.283 0.180 10 0 ACAEHO CN1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 86729500 573596896 /nfs/dbraw/zinc/59/68/96/573596896.db2.gz KSEYZROOWSEDNF-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN)C1 308258348 573091025 /nfs/dbraw/zinc/09/10/25/573091025.db2.gz LAJWBMUSYJZZDF-IVZWLZJFSA-N 1 3 186.299 0.738 10 0 ACAEHO CCO[C@H]1C[C@H]1NC1CC[NH+](C)CC1 308500604 573094301 /nfs/dbraw/zinc/09/43/01/573094301.db2.gz GLGYNKFBIPTZKO-MNOVXSKESA-N 1 3 198.310 0.848 10 0 ACAEHO OC[C@]1([C@H]2CCCNC2)CCCC[NH2+]1 257940983 573103133 /nfs/dbraw/zinc/10/31/33/573103133.db2.gz BQSMFLWIDUOIKS-QWRGUYRKSA-N 1 3 198.310 0.491 10 0 ACAEHO OC[C@]1([C@H]2CCC[NH2+]C2)CCCCN1 257940983 573103139 /nfs/dbraw/zinc/10/31/39/573103139.db2.gz BQSMFLWIDUOIKS-QWRGUYRKSA-N 1 3 198.310 0.491 10 0 ACAEHO CN1[C@H]2CC[C@@H]1[C@@H](C[NH3+])C2 104636322 573103208 /nfs/dbraw/zinc/10/32/08/573103208.db2.gz HSXGDXMSSVOIKV-GJMOJQLCSA-N 1 3 140.230 0.428 10 0 ACAEHO C[N@@H+]1[C@H]2CC[C@@H]1[C@@H](CN)C2 104636322 573103214 /nfs/dbraw/zinc/10/32/14/573103214.db2.gz HSXGDXMSSVOIKV-GJMOJQLCSA-N 1 3 140.230 0.428 10 0 ACAEHO C[N@H+]1[C@H]2CC[C@@H]1[C@@H](CN)C2 104636322 573103220 /nfs/dbraw/zinc/10/32/20/573103220.db2.gz HSXGDXMSSVOIKV-GJMOJQLCSA-N 1 3 140.230 0.428 10 0 ACAEHO COC[C@@](C)(N)C[C@@H](C)[NH3+] 104638377 573103296 /nfs/dbraw/zinc/10/32/96/573103296.db2.gz ZVTIIRNMZWTPLI-RQJHMYQMSA-N 1 3 146.234 0.088 10 0 ACAEHO C[C@@H]([NH3+])CN(C)c1ccncc1 82592609 573115100 /nfs/dbraw/zinc/11/51/00/573115100.db2.gz RGZYAUBAFLRYOY-MRVPVSSYSA-N 1 3 165.240 0.865 10 0 ACAEHO NCC(C[NH3+])[C@H]1CCSC1 258232861 573115156 /nfs/dbraw/zinc/11/51/56/573115156.db2.gz RNJYMZLPRBSQSU-LURJTMIESA-N 1 3 160.286 0.273 10 0 ACAEHO CN1CCC[C@@H]([C@H](O)C2([NH3+])CC2)C1 259036024 573115191 /nfs/dbraw/zinc/11/51/91/573115191.db2.gz FEOFJMFBCZGMCW-BDAKNGLRSA-N 1 3 184.283 0.180 10 0 ACAEHO CC(C)C[C@H](CO)[NH2+]C[C@H](C)CN 308266480 573118634 /nfs/dbraw/zinc/11/86/34/573118634.db2.gz PVVYGKLECWNAJY-NXEZZACHSA-N 1 3 188.315 0.578 10 0 ACAEHO C[C@@H]([NH3+])C(C)(C)CN1CC[C@H](O)C1 85679459 573118656 /nfs/dbraw/zinc/11/86/56/573118656.db2.gz ZCJHSRLNEBBNMD-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO CCO[C@]1(CN)CCC[N@H+](CC)C1 257947737 573121439 /nfs/dbraw/zinc/12/14/39/573121439.db2.gz VWEDICYSFVHDNZ-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CCO[C@]1(CN)CCC[N@@H+](CC)C1 257947737 573121445 /nfs/dbraw/zinc/12/14/45/573121445.db2.gz VWEDICYSFVHDNZ-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CCO[C@]1(C[NH3+])CCCN(CC)C1 257947737 573121451 /nfs/dbraw/zinc/12/14/51/573121451.db2.gz VWEDICYSFVHDNZ-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CC[C@@H]1C[C@H](C[NH3+])N(C)C1 212205259 573122275 /nfs/dbraw/zinc/12/22/75/573122275.db2.gz FCSRGFAOXQWTBG-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+](C)C(C)(C)CN)CO1 401814254 573122276 /nfs/dbraw/zinc/12/22/76/573122276.db2.gz GFAPKXYFALISQT-RKDXNWHRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+](C)C(C)(C)CN)CO1 401814254 573122282 /nfs/dbraw/zinc/12/22/82/573122282.db2.gz GFAPKXYFALISQT-RKDXNWHRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@]1(O)CCNC[C@@H]1C[NH+]1CCC1 257950618 573129000 /nfs/dbraw/zinc/12/90/00/573129000.db2.gz WEQLLFIFEXLMAX-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO CNCC1(C[NH2+]CCCOC)CC1 258551909 573150998 /nfs/dbraw/zinc/15/09/98/573150998.db2.gz ARMZDUVPPQRLOL-UHFFFAOYSA-N 1 3 186.299 0.612 10 0 ACAEHO C[NH2+]CC1(CNCCCOC)CC1 258551909 573151004 /nfs/dbraw/zinc/15/10/04/573151004.db2.gz ARMZDUVPPQRLOL-UHFFFAOYSA-N 1 3 186.299 0.612 10 0 ACAEHO CC(C)[C@@H](N)C(=O)CCC[NH3+] 393576543 573151005 /nfs/dbraw/zinc/15/10/05/573151005.db2.gz VQYUYWPSXGJRBM-MRVPVSSYSA-N 1 3 158.245 0.278 10 0 ACAEHO C[C@H](CN)C[NH2+]CCn1cccn1 308277588 573137043 /nfs/dbraw/zinc/13/70/43/573137043.db2.gz WIRISZJYQBJQSV-SECBINFHSA-N 1 3 182.271 0.068 10 0 ACAEHO CN1CC[C@H](C(=O)CC(C)(C)C[NH3+])C1 259347801 573151030 /nfs/dbraw/zinc/15/10/30/573151030.db2.gz ZQNUDCCEZSKPFR-VIFPVBQESA-N 1 3 198.310 0.882 10 0 ACAEHO CN1CC[C@H](C(=O)[C@@H]2CCC[NH2+]2)C1 259342481 573137873 /nfs/dbraw/zinc/13/78/73/573137873.db2.gz ZEDMZSQRGFTZOY-IUCAKERBSA-N 1 3 182.267 0.259 10 0 ACAEHO C1C[NH2+]CC[C@@H](N2CCCOCC2)C1 82666892 573151110 /nfs/dbraw/zinc/15/11/10/573151110.db2.gz SSEOZGMDHPKSLU-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO CN1CC[C@@H](C(=O)CC(C)(C)C[NH3+])C1 259347797 573153166 /nfs/dbraw/zinc/15/31/66/573153166.db2.gz ZQNUDCCEZSKPFR-SECBINFHSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@]1([C@H]2CCCNC2)CCC[NH2+]1 257961450 573183387 /nfs/dbraw/zinc/18/33/87/573183387.db2.gz GVBQTLVNOXBEGP-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO CCNC[C@@H](O)C[N@H+]1CCC2(CC2)C1 400194590 573164218 /nfs/dbraw/zinc/16/42/18/573164218.db2.gz CWOOVOJGBBYKLS-SNVBAGLBSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](C(N)=O)N(C)C1CCC([NH3+])CC1 85870049 573173842 /nfs/dbraw/zinc/17/38/42/573173842.db2.gz HJLVATKDLSBXAR-UEJVZZJDSA-N 1 3 199.298 0.062 10 0 ACAEHO CC[C@H](C)[NH2+]CC[C@@H]1CN(C)CCN1 258577717 573195468 /nfs/dbraw/zinc/19/54/68/573195468.db2.gz DVHDWFSEHCHGET-WDEREUQCSA-N 1 3 199.342 0.668 10 0 ACAEHO CCCCC[N@@H+]1CCN[C@@H](CN)C1 259365554 573195577 /nfs/dbraw/zinc/19/55/77/573195577.db2.gz UTLGTHJPLNSPLH-JTQLQIEISA-N 1 3 185.315 0.409 10 0 ACAEHO CCCCC[N@H+]1CCN[C@@H](CN)C1 259365554 573195584 /nfs/dbraw/zinc/19/55/84/573195584.db2.gz UTLGTHJPLNSPLH-JTQLQIEISA-N 1 3 185.315 0.409 10 0 ACAEHO CCCCCN1CCN[C@@H](C[NH3+])C1 259365554 573195592 /nfs/dbraw/zinc/19/55/92/573195592.db2.gz UTLGTHJPLNSPLH-JTQLQIEISA-N 1 3 185.315 0.409 10 0 ACAEHO CC[C@@H](C)[NH2+]CC[C@@H]1CN(C)CCN1 258577711 573195632 /nfs/dbraw/zinc/19/56/32/573195632.db2.gz DVHDWFSEHCHGET-GHMZBOCLSA-N 1 3 199.342 0.668 10 0 ACAEHO CC[C@@H](C)[NH2+]CC[C@H]1CN(C)CCN1 258577713 573195750 /nfs/dbraw/zinc/19/57/50/573195750.db2.gz DVHDWFSEHCHGET-MNOVXSKESA-N 1 3 199.342 0.668 10 0 ACAEHO CC[C@H](C)[NH2+]CC[C@H]1CN(C)CCN1 258577716 573195956 /nfs/dbraw/zinc/19/59/56/573195956.db2.gz DVHDWFSEHCHGET-QWRGUYRKSA-N 1 3 199.342 0.668 10 0 ACAEHO CCCCC[N@@H+]1CCN[C@H](CN)C1 259365557 573196150 /nfs/dbraw/zinc/19/61/50/573196150.db2.gz UTLGTHJPLNSPLH-SNVBAGLBSA-N 1 3 185.315 0.409 10 0 ACAEHO CCCCC[N@H+]1CCN[C@H](CN)C1 259365557 573196155 /nfs/dbraw/zinc/19/61/55/573196155.db2.gz UTLGTHJPLNSPLH-SNVBAGLBSA-N 1 3 185.315 0.409 10 0 ACAEHO CCCCCN1CCN[C@H](C[NH3+])C1 259365557 573196158 /nfs/dbraw/zinc/19/61/58/573196158.db2.gz UTLGTHJPLNSPLH-SNVBAGLBSA-N 1 3 185.315 0.409 10 0 ACAEHO NCc1csc(C[C@H]2CC[NH2+]C2)n1 257971586 573212113 /nfs/dbraw/zinc/21/21/13/573212113.db2.gz GZKHRWRYNLBNEY-SSDOTTSWSA-N 1 3 197.307 0.754 10 0 ACAEHO CC[C@H](CC(N)=O)N1CCC([NH3+])CC1 257760632 573212176 /nfs/dbraw/zinc/21/21/76/573212176.db2.gz GWOZQYZFNVLFKN-SECBINFHSA-N 1 3 199.298 0.064 10 0 ACAEHO CN[C@@]1(CN)CC[N@@H+]2CCCC[C@@H]21 123852310 573212455 /nfs/dbraw/zinc/21/24/55/573212455.db2.gz RTLRVOWQWSSBTK-NXEZZACHSA-N 1 3 183.299 0.162 10 0 ACAEHO CN[C@@]1(CN)CC[N@H+]2CCCC[C@@H]21 123852310 573212464 /nfs/dbraw/zinc/21/24/64/573212464.db2.gz RTLRVOWQWSSBTK-NXEZZACHSA-N 1 3 183.299 0.162 10 0 ACAEHO C[NH2+][C@@]1(CN)CCN2CCCC[C@@H]21 123852310 573212466 /nfs/dbraw/zinc/21/24/66/573212466.db2.gz RTLRVOWQWSSBTK-NXEZZACHSA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+][C@H]1CC[C@](F)(CN2CCC2)C1 257973159 573215549 /nfs/dbraw/zinc/21/55/49/573215549.db2.gz YVNFODGFRSBNTQ-DTWKUNHWSA-N 1 3 172.247 0.912 10 0 ACAEHO NC[C@@]1(CCO)CCC[N@@H+]2CCC[C@@H]21 257762137 573215575 /nfs/dbraw/zinc/21/55/75/573215575.db2.gz PZIFTLNYQHFBGN-MNOVXSKESA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)CCC[N@H+]2CCC[C@@H]21 257762137 573215581 /nfs/dbraw/zinc/21/55/81/573215581.db2.gz PZIFTLNYQHFBGN-MNOVXSKESA-N 1 3 198.310 0.572 10 0 ACAEHO COC[C@]1(CN2CCCC2)CC[NH2+]C1 308517372 573215125 /nfs/dbraw/zinc/21/51/25/573215125.db2.gz VUCKRZFBESLVTQ-LLVKDONJSA-N 1 3 198.310 0.708 10 0 ACAEHO NC[C@]1(CCO)CCC[N@@H+]2CCC[C@H]21 257762139 573215174 /nfs/dbraw/zinc/21/51/74/573215174.db2.gz PZIFTLNYQHFBGN-WDEREUQCSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)CCC[N@H+]2CCC[C@H]21 257762139 573215178 /nfs/dbraw/zinc/21/51/78/573215178.db2.gz PZIFTLNYQHFBGN-WDEREUQCSA-N 1 3 198.310 0.572 10 0 ACAEHO CC[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238307720 573217133 /nfs/dbraw/zinc/21/71/33/573217133.db2.gz KXKUCKIEIRLGGM-VLEAKVRGSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238307720 573217134 /nfs/dbraw/zinc/21/71/34/573217134.db2.gz KXKUCKIEIRLGGM-VLEAKVRGSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238307720 573217138 /nfs/dbraw/zinc/21/71/38/573217138.db2.gz KXKUCKIEIRLGGM-VLEAKVRGSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238307705 573217220 /nfs/dbraw/zinc/21/72/20/573217220.db2.gz KXKUCKIEIRLGGM-MMWGEVLESA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238307705 573217225 /nfs/dbraw/zinc/21/72/25/573217225.db2.gz KXKUCKIEIRLGGM-MMWGEVLESA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238307705 573217230 /nfs/dbraw/zinc/21/72/30/573217230.db2.gz KXKUCKIEIRLGGM-MMWGEVLESA-N 1 3 198.310 0.711 10 0 ACAEHO NC[C@@]1(CCO)CCC[N@@H+]2CCC[C@H]21 257762138 573217314 /nfs/dbraw/zinc/21/73/14/573217314.db2.gz PZIFTLNYQHFBGN-QWRGUYRKSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)CCC[N@H+]2CCC[C@H]21 257762138 573217320 /nfs/dbraw/zinc/21/73/20/573217320.db2.gz PZIFTLNYQHFBGN-QWRGUYRKSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)C[C@H]2CCCC[N@@H+]2C1 257763042 573217336 /nfs/dbraw/zinc/21/73/36/573217336.db2.gz WFLUSYDBIWZDJD-GHMZBOCLSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)C[C@H]2CCCC[N@H+]2C1 257763042 573217344 /nfs/dbraw/zinc/21/73/44/573217344.db2.gz WFLUSYDBIWZDJD-GHMZBOCLSA-N 1 3 198.310 0.572 10 0 ACAEHO CN(C)C[C@@H]1C[NH2+]CC12CC2 238320734 573222485 /nfs/dbraw/zinc/22/24/85/573222485.db2.gz FLXGTEGDUVYSEC-QMMMGPOBSA-N 1 3 154.257 0.548 10 0 ACAEHO CN1C[C@H](C2CC2)C[C@@H]1C[NH3+] 258592595 573222499 /nfs/dbraw/zinc/22/24/99/573222499.db2.gz UEBVKEIZDKSSPR-RKDXNWHRSA-N 1 3 154.257 0.675 10 0 ACAEHO CN1CC[C@H]([NH3+])CC12CCOCC2 238309545 573222938 /nfs/dbraw/zinc/22/29/38/573222938.db2.gz DVPGGMHLLGBPPY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO CN1C[C@@H](C2CC2)C[C@H]1C[NH3+] 258592593 573223062 /nfs/dbraw/zinc/22/30/62/573223062.db2.gz UEBVKEIZDKSSPR-IUCAKERBSA-N 1 3 154.257 0.675 10 0 ACAEHO O[C@]1(CNC2CCC2)CCC[NH2+]C1 257836227 573599146 /nfs/dbraw/zinc/59/91/46/573599146.db2.gz KZRPCIVOBWJBFK-SNVBAGLBSA-N 1 3 184.283 0.243 10 0 ACAEHO CNCC[NH+]1C[C@H](C)[C@@H](C)C1 86009586 573228575 /nfs/dbraw/zinc/22/85/75/573228575.db2.gz XPRZHZOJCOUYSY-IUCAKERBSA-N 1 3 156.273 0.794 10 0 ACAEHO [NH3+]CC[C@H]1CC[C@@H](N2CCOCC2)C1 107189027 573228798 /nfs/dbraw/zinc/22/87/98/573228798.db2.gz BXAJACHHWULPRM-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+][C@@H](C1CCOCC1)[C@H]1CCCCN1 259386656 573228903 /nfs/dbraw/zinc/22/89/03/573228903.db2.gz NKQCAEOEAUGNJW-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH2+]CC1(CNCCN(C)C)CC1 258595879 573229004 /nfs/dbraw/zinc/22/90/04/573229004.db2.gz GYAXGXOGVNQUDV-UHFFFAOYSA-N 1 3 185.315 0.137 10 0 ACAEHO NC[C@@H]1C[NH2+]C[C@@H]1CCF 259387906 573236379 /nfs/dbraw/zinc/23/63/79/573236379.db2.gz REGUZPIBNFGCGM-NKWVEPMBSA-N 1 3 146.209 0.140 10 0 ACAEHO CN(C)CCN(C)C(C)(C)C[NH3+] 50090808 573236629 /nfs/dbraw/zinc/23/66/29/573236629.db2.gz FEJQCMWLAXJXMY-UHFFFAOYSA-N 1 3 173.304 0.217 10 0 ACAEHO C[C@@H]([NH3+])C1(C2CCN(C)CC2)COC1 259048027 573250285 /nfs/dbraw/zinc/25/02/85/573250285.db2.gz AJRRZNBLEMNARG-SECBINFHSA-N 1 3 198.310 0.692 10 0 ACAEHO Cc1noc([C@H]2CC[NH2+]C2)c1CN 257835750 573600680 /nfs/dbraw/zinc/60/06/80/573600680.db2.gz KYNPNZONXPINHL-ZETCQYMHSA-N 1 3 181.239 0.519 10 0 ACAEHO CN[C@@H](C)c1ccnn1C1C[NH2+]C1 257836243 573600707 /nfs/dbraw/zinc/60/07/07/573600707.db2.gz LAHWLKWPKDIPPR-ZETCQYMHSA-N 1 3 180.255 0.308 10 0 ACAEHO CC[C@H](COC)N[C@H](C)C1C[NH2+]C1 686243455 573600713 /nfs/dbraw/zinc/60/07/13/573600713.db2.gz OBSPAFKDVDTPJR-PSASIEDQSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@H](COC)[NH2+][C@H](C)C1CNC1 686243455 573600717 /nfs/dbraw/zinc/60/07/17/573600717.db2.gz OBSPAFKDVDTPJR-PSASIEDQSA-N 1 3 186.299 0.609 10 0 ACAEHO CNCN(C)CCC1CC[NH+](C)CC1 258816897 573600735 /nfs/dbraw/zinc/60/07/35/573600735.db2.gz FVRUKQGJJUDYCX-UHFFFAOYSA-N 1 3 199.342 0.827 10 0 ACAEHO CN1CC[C@H]([C@H](O)C[NH+]2CCCC2)C1 258263546 573258152 /nfs/dbraw/zinc/25/81/52/573258152.db2.gz UEBIVWGHJUNXDA-WDEREUQCSA-N 1 3 198.310 0.395 10 0 ACAEHO CN1CCN(C/C=C\CC[NH3+])CC1 258262272 573258188 /nfs/dbraw/zinc/25/81/88/573258188.db2.gz RGYHFAMSAZTALW-RQOWECAXSA-N 1 3 183.299 0.139 10 0 ACAEHO C[C@@H](C[C@@](C)(N)CO)[NH+](C)C 82885178 573258231 /nfs/dbraw/zinc/25/82/31/573258231.db2.gz WLILLCHWKYUMII-JGVFFNPUSA-N 1 3 160.261 0.036 10 0 ACAEHO C[C@H](C[C@@](C)(N)CO)[NH+](C)C 82885179 573258255 /nfs/dbraw/zinc/25/82/55/573258255.db2.gz WLILLCHWKYUMII-HTQZYQBOSA-N 1 3 160.261 0.036 10 0 ACAEHO CCOCCNC[C@@H](C)C[NH+](C)C 308329044 573258416 /nfs/dbraw/zinc/25/84/16/573258416.db2.gz JEWCUYYFNQDXOP-SNVBAGLBSA-N 1 3 188.315 0.810 10 0 ACAEHO C[C@H](C[C@](C)(N)CO)[NH+](C)C 82885177 573259305 /nfs/dbraw/zinc/25/93/05/573259305.db2.gz WLILLCHWKYUMII-SFYZADRCSA-N 1 3 160.261 0.036 10 0 ACAEHO CC[N@@H+]1C[C@@H]2CNC[C@H](C1)C2F 257981302 573259378 /nfs/dbraw/zinc/25/93/78/573259378.db2.gz ZRPVUEPGGGMDII-JVHMLUBASA-N 1 3 172.247 0.496 10 0 ACAEHO COC[C@@H]1C[C@H]([C@H]2CCCN2C)C[NH2+]1 258262264 573258730 /nfs/dbraw/zinc/25/87/30/573258730.db2.gz RGWSHKXEQIFTJS-GARJFASQSA-N 1 3 198.310 0.705 10 0 ACAEHO CC[C@@H](C[NH3+])[C@H](N)c1cc[nH]c1 259393992 573258793 /nfs/dbraw/zinc/25/87/93/573258793.db2.gz LNLIVIQNZRLFNC-CBAPKCEASA-N 1 3 167.256 0.999 10 0 ACAEHO CNC[C@H](C[NH3+])c1cccc(O)c1 257981900 573262481 /nfs/dbraw/zinc/26/24/81/573262481.db2.gz CQDVEKIGBXYTHN-VIFPVBQESA-N 1 3 180.251 0.654 10 0 ACAEHO C[N@@H+]1CC[C@@H](CC[C@H]2COCCN2)C1 259058199 573262659 /nfs/dbraw/zinc/26/26/59/573262659.db2.gz FPNBOWWXZHZTJD-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@@H](CC[C@H]2COCCN2)C1 259058199 573262663 /nfs/dbraw/zinc/26/26/63/573262663.db2.gz FPNBOWWXZHZTJD-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO COC[C@@H]1C[C@@H]([C@@H]2CCCN2C)C[NH2+]1 258262269 573262683 /nfs/dbraw/zinc/26/26/83/573262683.db2.gz RGWSHKXEQIFTJS-VWYCJHECSA-N 1 3 198.310 0.705 10 0 ACAEHO C[N@@H+]1CC[C@H](CC[C@@H]2COCCN2)C1 259058210 573262737 /nfs/dbraw/zinc/26/27/37/573262737.db2.gz FPNBOWWXZHZTJD-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@H](CC[C@@H]2COCCN2)C1 259058210 573262741 /nfs/dbraw/zinc/26/27/41/573262741.db2.gz FPNBOWWXZHZTJD-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[C@@H](C[NH3+])CN[C@@H]1CCN(C)C1 259057633 573262783 /nfs/dbraw/zinc/26/27/83/573262783.db2.gz SPQDRANGFRKXBJ-VHSXEESVSA-N 1 3 185.315 0.265 10 0 ACAEHO CC[C@@H](C)N(C)CC[C@H]([NH3+])CO 82885361 573262792 /nfs/dbraw/zinc/26/27/92/573262792.db2.gz XODNQTLCOMWCDQ-BDAKNGLRSA-N 1 3 174.288 0.426 10 0 ACAEHO CN(C)C[C@H]1C[NH2+]CC12CC2 238326672 573262799 /nfs/dbraw/zinc/26/27/99/573262799.db2.gz FLXGTEGDUVYSEC-MRVPVSSYSA-N 1 3 154.257 0.548 10 0 ACAEHO C[C@@H](CCCO)[NH2+][C@@H](C)C1CNC1 686243977 573262917 /nfs/dbraw/zinc/26/29/17/573262917.db2.gz XHCJRKZKQJHMDI-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CCCO)N[C@@H](C)C1C[NH2+]C1 686243977 573262920 /nfs/dbraw/zinc/26/29/20/573262920.db2.gz XHCJRKZKQJHMDI-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO CN1CC[C@@H](C(=O)C2(C[NH3+])CCC2)C1 259058807 573262959 /nfs/dbraw/zinc/26/29/59/573262959.db2.gz CNAUIHVPVSCFMS-SECBINFHSA-N 1 3 196.294 0.636 10 0 ACAEHO CN1CCN(C[C@@H]2C=C[C@H]([NH3+])C2)CC1 86094104 573263041 /nfs/dbraw/zinc/26/30/41/573263041.db2.gz DUVSETJRHYWVOJ-MNOVXSKESA-N 1 3 195.310 0.137 10 0 ACAEHO C[C@H](CCCO)[NH2+][C@H](C)C1CNC1 686243979 573263065 /nfs/dbraw/zinc/26/30/65/573263065.db2.gz XHCJRKZKQJHMDI-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CCCO)N[C@H](C)C1C[NH2+]C1 686243979 573263069 /nfs/dbraw/zinc/26/30/69/573263069.db2.gz XHCJRKZKQJHMDI-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@]1(CO)C[C@@H]([C@H]2CCCCN2)C[NH2+]1 258275968 573277495 /nfs/dbraw/zinc/27/74/95/573277495.db2.gz SFLQITOBJIODJL-GMTAPVOTSA-N 1 3 198.310 0.489 10 0 ACAEHO CN1CC[C@H](C2CC2)[C@@H]1C[NH3+] 238330239 573277679 /nfs/dbraw/zinc/27/76/79/573277679.db2.gz PZFPIINNOCXLGV-BDAKNGLRSA-N 1 3 154.257 0.675 10 0 ACAEHO NCc1cnoc1[C@H]1CCC[NH2+]1 258617482 573277833 /nfs/dbraw/zinc/27/78/33/573277833.db2.gz WNDVAZIYHSPHNJ-SSDOTTSWSA-N 1 3 167.212 0.558 10 0 ACAEHO CCN1CC([C@@H](F)C[NH3+])C1 258617426 573277953 /nfs/dbraw/zinc/27/79/53/573277953.db2.gz WMLOUGGVJCNXCJ-ZETCQYMHSA-N 1 3 146.209 0.235 10 0 ACAEHO CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H](C)N 308536922 573277983 /nfs/dbraw/zinc/27/79/83/573277983.db2.gz MKSDMXSMRUYXGB-HBNTYKKESA-N 1 3 199.342 0.796 10 0 ACAEHO CC1(C)C[NH2+]C[C@@H](CN)C1 258620068 573290232 /nfs/dbraw/zinc/29/02/32/573290232.db2.gz WOYSDBYAZCEVGS-SSDOTTSWSA-N 1 3 142.246 0.581 10 0 ACAEHO CC(C)C[C@@H](N)[C@H]1CN(C)CC[NH2+]1 259404910 573289752 /nfs/dbraw/zinc/28/97/52/573289752.db2.gz LYESICXOPKXUMI-NXEZZACHSA-N 1 3 185.315 0.263 10 0 ACAEHO Cn1c(NCC[NH3+])nc2c1CCCC2 257993799 573290077 /nfs/dbraw/zinc/29/00/77/573290077.db2.gz FPIRADLFVNVMGG-UHFFFAOYSA-N 1 3 194.282 0.670 10 0 ACAEHO CCCCC[N@H+](C)C[C@@H](N)CN 259080776 573312385 /nfs/dbraw/zinc/31/23/85/573312385.db2.gz REIAINWQTRGDSN-VIFPVBQESA-N 1 3 173.304 0.394 10 0 ACAEHO CCCCC[N@@H+](C)C[C@@H](N)CN 259080776 573312388 /nfs/dbraw/zinc/31/23/88/573312388.db2.gz REIAINWQTRGDSN-VIFPVBQESA-N 1 3 173.304 0.394 10 0 ACAEHO CCCCCN(C)C[C@@H](N)C[NH3+] 259080776 573312396 /nfs/dbraw/zinc/31/23/96/573312396.db2.gz REIAINWQTRGDSN-VIFPVBQESA-N 1 3 173.304 0.394 10 0 ACAEHO CC1(C)C[N@@H+]([C@@H]2CCOC2)CCCN1 82941505 573312162 /nfs/dbraw/zinc/31/21/62/573312162.db2.gz UWVLWWALZQICIR-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO CC1(C)C[N@H+]([C@@H]2CCOC2)CCCN1 82941505 573312167 /nfs/dbraw/zinc/31/21/67/573312167.db2.gz UWVLWWALZQICIR-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCOC2)[C@H](C)CCN1 82942569 573313128 /nfs/dbraw/zinc/31/31/28/573313128.db2.gz RYGMRUMXGXSTFO-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCOC2)[C@H](C)CCN1 82942569 573313133 /nfs/dbraw/zinc/31/31/33/573313133.db2.gz RYGMRUMXGXSTFO-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@H](C)CN[C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 308545964 573313139 /nfs/dbraw/zinc/31/31/39/573313139.db2.gz NVGPJYZZYJBCPB-ZNSHCXBVSA-N 1 3 198.310 0.738 10 0 ACAEHO C1CN=C(NC[C@@H]2CCC[NH2+]C2)OC1 257836877 573601832 /nfs/dbraw/zinc/60/18/32/573601832.db2.gz APVIBASNZXHIMR-SECBINFHSA-N 1 3 197.282 0.352 10 0 ACAEHO CC(C)CC[N@@H+]1CCNC[C@@H]1CN 132531012 573313017 /nfs/dbraw/zinc/31/30/17/573313017.db2.gz HKIJETSLKJVHMN-JTQLQIEISA-N 1 3 185.315 0.265 10 0 ACAEHO CC(C)CC[N@H+]1CCNC[C@@H]1CN 132531012 573313025 /nfs/dbraw/zinc/31/30/25/573313025.db2.gz HKIJETSLKJVHMN-JTQLQIEISA-N 1 3 185.315 0.265 10 0 ACAEHO Cn1nc([C@@H]2CCCCN2)cc1C[NH3+] 259416034 573322502 /nfs/dbraw/zinc/32/25/02/573322502.db2.gz YCEUPNITIIPSTK-VIFPVBQESA-N 1 3 194.282 0.693 10 0 ACAEHO C[C@H](N[C@@H]1CCC[C@@H]1O)C1C[NH2+]C1 686244728 573323083 /nfs/dbraw/zinc/32/30/83/573323083.db2.gz JWXPRYPJEWRMKC-SFGNSQDASA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1O)C1CNC1 686244728 573323088 /nfs/dbraw/zinc/32/30/88/573323088.db2.gz JWXPRYPJEWRMKC-SFGNSQDASA-N 1 3 184.283 0.097 10 0 ACAEHO CC(C)=CCNCCC[NH3+] 74339330 573323161 /nfs/dbraw/zinc/32/31/61/573323161.db2.gz JVCQHRDZJZGMJY-UHFFFAOYSA-N 1 3 142.246 0.891 10 0 ACAEHO C[C@H](C[NH3+])C(=O)C1CCN(C)CC1 259085902 573333469 /nfs/dbraw/zinc/33/34/69/573333469.db2.gz FYKQJOZTLDDQRT-MRVPVSSYSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H]1CC[NH2+]C(C)(C)CN1 82961018 573337028 /nfs/dbraw/zinc/33/70/28/573337028.db2.gz IJHIIHGPZFAZLP-ZETCQYMHSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@H](C[C@@H](C)N)[NH2+]C 259421874 573337086 /nfs/dbraw/zinc/33/70/86/573337086.db2.gz MTMIVBYCUKUBFR-RNFRBKRXSA-N 1 3 130.235 0.722 10 0 ACAEHO CNCC[C@@H](C)[NH2+]CC1CC(O)C1 323137398 573336638 /nfs/dbraw/zinc/33/66/38/573336638.db2.gz IDHVZSGZRQUYKO-XNWIYYODSA-N 1 3 186.299 0.345 10 0 ACAEHO C[NH2+]CC[C@@H](C)NCC1CC(O)C1 323137398 573336641 /nfs/dbraw/zinc/33/66/41/573336641.db2.gz IDHVZSGZRQUYKO-XNWIYYODSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]1CC[NH2+][C@H](C2CC2)CN1 82961046 573336650 /nfs/dbraw/zinc/33/66/50/573336650.db2.gz YYBJTNVMNPBUOA-CBAPKCEASA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1CCN[C@H](C2CC2)C[NH2+]1 82961046 573336657 /nfs/dbraw/zinc/33/66/57/573336657.db2.gz YYBJTNVMNPBUOA-CBAPKCEASA-N 1 3 154.257 0.736 10 0 ACAEHO C1CN[C@H](C2CC2)C[NH2+]C1 82960987 573336813 /nfs/dbraw/zinc/33/68/13/573336813.db2.gz FJIHGXKQOGGRPX-QMMMGPOBSA-N 1 3 140.230 0.348 10 0 ACAEHO CO[C@H](C)[C@@H](C)N1CCC[C@H]1C[NH3+] 252933373 573336893 /nfs/dbraw/zinc/33/68/93/573336893.db2.gz CXAPRYQOTPBECC-BBBLOLIVSA-N 1 3 186.299 0.833 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 50249305 573336921 /nfs/dbraw/zinc/33/69/21/573336921.db2.gz UEFMVYCSDUGEQP-BBBLOLIVSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2O)C1 50249305 573336925 /nfs/dbraw/zinc/33/69/25/573336925.db2.gz UEFMVYCSDUGEQP-BBBLOLIVSA-N 1 3 184.283 0.180 10 0 ACAEHO NCc1cc(C[C@H]2CCC[NH2+]C2)n[nH]1 259425950 573356177 /nfs/dbraw/zinc/35/61/77/573356177.db2.gz YUEJJKJSGZUBPN-MRVPVSSYSA-N 1 3 194.282 0.411 10 0 ACAEHO NCc1cc(C[C@H]2CCC[NH2+]C2)[nH]n1 259425950 573356182 /nfs/dbraw/zinc/35/61/82/573356182.db2.gz YUEJJKJSGZUBPN-MRVPVSSYSA-N 1 3 194.282 0.411 10 0 ACAEHO C[C@H]1CN([C@@H]2CCC[NH2+]2)CCCN1C 258301367 573361326 /nfs/dbraw/zinc/36/13/26/573361326.db2.gz WJRDITOQYGKQQU-WDEREUQCSA-N 1 3 197.326 0.722 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1nccn1C 308562214 573360896 /nfs/dbraw/zinc/36/08/96/573360896.db2.gz FZDFAFAFNJZASL-VIFPVBQESA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1nccn1C 308562214 573360904 /nfs/dbraw/zinc/36/09/04/573360904.db2.gz FZDFAFAFNJZASL-VIFPVBQESA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@@H](CC[NH3+])C(=O)[C@H]1CCN(C)C1 259089849 573360932 /nfs/dbraw/zinc/36/09/32/573360932.db2.gz GDJBUTWVZQQQFS-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](C)N1CCN(C)CC1 86311122 573360938 /nfs/dbraw/zinc/36/09/38/573360938.db2.gz YHSJSDCDKUYKGQ-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1C[C@]1(C)[C@H](CN)[NH2+]CCN(C)C 714681197 573360970 /nfs/dbraw/zinc/36/09/70/573360970.db2.gz UJRIUHVKEWXIGZ-VWYCJHECSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H]1C[C@]1(C)[C@H](C[NH3+])NCCN(C)C 714681197 573360974 /nfs/dbraw/zinc/36/09/74/573360974.db2.gz UJRIUHVKEWXIGZ-VWYCJHECSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N1CCN(C)CC1 86311123 573360980 /nfs/dbraw/zinc/36/09/80/573360980.db2.gz YHSJSDCDKUYKGQ-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1C[C@]1(C)[C@@H](CN)[NH2+]CCN(C)C 714681195 573360989 /nfs/dbraw/zinc/36/09/89/573360989.db2.gz UJRIUHVKEWXIGZ-MXWKQRLJSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H]1C[C@]1(C)[C@@H](C[NH3+])NCCN(C)C 714681195 573360995 /nfs/dbraw/zinc/36/09/95/573360995.db2.gz UJRIUHVKEWXIGZ-MXWKQRLJSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@H](N)C[N@@H+]1CCC[C@H](CO)C1 107124049 573361064 /nfs/dbraw/zinc/36/10/64/573361064.db2.gz YYLCATIDHWTJSX-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](N)C[N@H+]1CCC[C@H](CO)C1 107124049 573361071 /nfs/dbraw/zinc/36/10/71/573361071.db2.gz YYLCATIDHWTJSX-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](O)C[C@H](C)N[C@H](C)C1C[NH2+]C1 686243005 573363153 /nfs/dbraw/zinc/36/31/53/573363153.db2.gz JDMQTUIEHRHZBB-XHNCKOQMSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H](O)C[C@H](C)[NH2+][C@H](C)C1CNC1 686243005 573363159 /nfs/dbraw/zinc/36/31/59/573363159.db2.gz JDMQTUIEHRHZBB-XHNCKOQMSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H](O)C[C@@H](C)N[C@@H](C)C1C[NH2+]C1 686243003 573363224 /nfs/dbraw/zinc/36/32/24/573363224.db2.gz JDMQTUIEHRHZBB-VGMNWLOBSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H](O)C[C@@H](C)[NH2+][C@@H](C)C1CNC1 686243003 573363233 /nfs/dbraw/zinc/36/32/33/573363233.db2.gz JDMQTUIEHRHZBB-VGMNWLOBSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCCc1ncc[nH]1 308562198 573363376 /nfs/dbraw/zinc/36/33/76/573363376.db2.gz FYRXEUQVQZOAAD-VIFPVBQESA-N 1 3 196.298 0.527 10 0 ACAEHO C[C@@H](CN)[C@@H](C)[NH+](C)C 86311348 573363425 /nfs/dbraw/zinc/36/34/25/573363425.db2.gz NWXSDMIIPUTCAK-NKWVEPMBSA-N 1 3 130.235 0.531 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](C)N(C)C 86311348 573363432 /nfs/dbraw/zinc/36/34/32/573363432.db2.gz NWXSDMIIPUTCAK-NKWVEPMBSA-N 1 3 130.235 0.531 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1nccn1C 308562213 573363539 /nfs/dbraw/zinc/36/35/39/573363539.db2.gz FZDFAFAFNJZASL-SECBINFHSA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1nccn1C 308562213 573363543 /nfs/dbraw/zinc/36/35/43/573363543.db2.gz FZDFAFAFNJZASL-SECBINFHSA-N 1 3 196.298 0.147 10 0 ACAEHO C[NH2+][C@H](OC)[C@@H]1CCN(C)C1 259430485 573368971 /nfs/dbraw/zinc/36/89/71/573368971.db2.gz ZCOWDKLUZSIWJB-HTQZYQBOSA-N 1 3 158.245 0.130 10 0 ACAEHO C[NH2+][C@H](OC)[C@H]1CCN(C)C1 259430488 573369399 /nfs/dbraw/zinc/36/93/99/573369399.db2.gz ZCOWDKLUZSIWJB-JGVFFNPUSA-N 1 3 158.245 0.130 10 0 ACAEHO CC(C)(CC[NH3+])N1CCC(O)CC1 107132222 573369453 /nfs/dbraw/zinc/36/94/53/573369453.db2.gz ORQKHQHUTHFVMN-UHFFFAOYSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)(CCN)[NH+]1CCC(O)CC1 107132222 573369458 /nfs/dbraw/zinc/36/94/58/573369458.db2.gz ORQKHQHUTHFVMN-UHFFFAOYSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[NH2+]C[C@H](C)N(C)[C@H]1CCN(C)C1 308564372 573369550 /nfs/dbraw/zinc/36/95/50/573369550.db2.gz HCDMWHDPZMANOE-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H](O)[C@H](C[NH3+])C1CCN(C)CC1 107132180 573369683 /nfs/dbraw/zinc/36/96/83/573369683.db2.gz RTWCVBRRLCWWDZ-WPRPVWTQSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCN(C)CC2)CCN1 83060519 573381333 /nfs/dbraw/zinc/38/13/33/573381333.db2.gz LXGJMVBLQWXIKX-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1C[N@H+](C2CCN(C)CC2)CCN1 83060519 573381335 /nfs/dbraw/zinc/38/13/35/573381335.db2.gz LXGJMVBLQWXIKX-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1[NH2+]CC[C@]1(O)C1CCN(C)CC1 107141820 573380648 /nfs/dbraw/zinc/38/06/48/573380648.db2.gz JANRMTIWJRVYHT-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO CO[C@@]1(C2CCN(C)CC2)CC[NH2+]C1 107141859 573380681 /nfs/dbraw/zinc/38/06/81/573380681.db2.gz KBZNBWMCVBZPFV-NSHDSACASA-N 1 3 198.310 0.707 10 0 ACAEHO CN1CCC([C@@]2(C[NH3+])CCOC2)CC1 107141658 573380777 /nfs/dbraw/zinc/38/07/77/573380777.db2.gz PIVWMFHTKFWJCO-LLVKDONJSA-N 1 3 198.310 0.694 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCO[C@H]2C2CC2)C1 236195727 573380844 /nfs/dbraw/zinc/38/08/44/573380844.db2.gz XUFVMAWNRVNEHO-TVUZUIDESA-N 1 3 196.294 0.633 10 0 ACAEHO OC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 107141685 573381090 /nfs/dbraw/zinc/38/10/90/573381090.db2.gz FODQBUKSHOECKH-MNOVXSKESA-N 1 3 198.310 0.300 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@]1(O)C1CCN(C)CC1 107141817 573381222 /nfs/dbraw/zinc/38/12/22/573381222.db2.gz JANRMTIWJRVYHT-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH2+]CCN(C)c1cc(N)c(C)cn1 133220926 573381844 /nfs/dbraw/zinc/38/18/44/573381844.db2.gz XTDUCIOPEGMKTK-UHFFFAOYSA-N 1 3 194.282 0.628 10 0 ACAEHO C[C@@]1([NH3+])CCCNC1 117991440 573381847 /nfs/dbraw/zinc/38/18/47/573381847.db2.gz ZVBYGKLATVZWEO-ZCFIWIBFSA-N 1 3 114.192 0.087 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCC(C)(C)O 238376129 573382061 /nfs/dbraw/zinc/38/20/61/573382061.db2.gz XCMPAPQGSZVXSN-RNFRBKRXSA-N 1 3 160.261 0.083 10 0 ACAEHO C1C[C@@]2(CCN(C3CC3)C2)C[NH2+]1 118052671 573383785 /nfs/dbraw/zinc/38/37/85/573383785.db2.gz JJJAUSXRQUEOLA-SNVBAGLBSA-N 1 3 166.268 0.834 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCN(C)CC2)CCN1 83060517 573383232 /nfs/dbraw/zinc/38/32/32/573383232.db2.gz LXGJMVBLQWXIKX-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCN(C)CC2)CCN1 83060517 573383239 /nfs/dbraw/zinc/38/32/39/573383239.db2.gz LXGJMVBLQWXIKX-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO N[C@H](C1CCCCC1)N1CC[NH2+]CC1 259610738 573383504 /nfs/dbraw/zinc/38/35/04/573383504.db2.gz XKTIXIUQAGSUCF-NSHDSACASA-N 1 3 197.326 0.757 10 0 ACAEHO C[C@H]1C[C@@H]1CN(C)C[C@@](C)(O)C[NH3+] 223281646 573383624 /nfs/dbraw/zinc/38/36/24/573383624.db2.gz GFCLDFQBEXSNRV-AEJSXWLSSA-N 1 3 186.299 0.284 10 0 ACAEHO C[NH2+]CC1([C@@H](N)C(C)C)CC1 259435098 573390100 /nfs/dbraw/zinc/39/01/00/573390100.db2.gz NHQKGWDDHLGMCA-QMMMGPOBSA-N 1 3 156.273 0.969 10 0 ACAEHO CNCC1([C@@H]([NH3+])C(C)C)CC1 259435098 573390105 /nfs/dbraw/zinc/39/01/05/573390105.db2.gz NHQKGWDDHLGMCA-QMMMGPOBSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H](C[NH2+]CC1CNC1)C1CC1 133252409 573390531 /nfs/dbraw/zinc/39/05/31/573390531.db2.gz JVUVKCBZNHTIQK-MRVPVSSYSA-N 1 3 168.284 0.842 10 0 ACAEHO C[NH2+][C@H](C)[C@H](C)N(C)[C@H]1CCN(C)C1 308570636 573392369 /nfs/dbraw/zinc/39/23/69/573392369.db2.gz KCDMBQLMOYRETJ-VWYCJHECSA-N 1 3 199.342 0.619 10 0 ACAEHO [NH3+]C1(CNCCc2ccncc2)CC1 259094292 573392829 /nfs/dbraw/zinc/39/28/29/573392829.db2.gz NWYTYYKUIQFDMG-UHFFFAOYSA-N 1 3 191.278 0.705 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N(C)CCC[NH3+] 133277193 573392893 /nfs/dbraw/zinc/39/28/93/573392893.db2.gz BKGHRSVCWCTADF-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO CN1CCC[C@@H](NC[C@@H]2CC[NH2+]C2)C1 257810091 573397856 /nfs/dbraw/zinc/39/78/56/573397856.db2.gz ADPSMPAQURBWSR-GHMZBOCLSA-N 1 3 197.326 0.280 10 0 ACAEHO CC[C@H](CCN)[N@H+](C)C(C)(C)CO 133329234 573397390 /nfs/dbraw/zinc/39/73/90/573397390.db2.gz JFZXQJBJNULTJK-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@H](CCN)[N@@H+](C)C(C)(C)CO 133329234 573397394 /nfs/dbraw/zinc/39/73/94/573397394.db2.gz JFZXQJBJNULTJK-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CN1CCC[C@H](NC[C@@H]2CC[NH2+]C2)C1 257810092 573397677 /nfs/dbraw/zinc/39/76/77/573397677.db2.gz ADPSMPAQURBWSR-MNOVXSKESA-N 1 3 197.326 0.280 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)C(C)(C)CO 133322373 573397715 /nfs/dbraw/zinc/39/77/15/573397715.db2.gz YARYEPCVQMPDOF-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)C(C)(C)CO 133322373 573397720 /nfs/dbraw/zinc/39/77/20/573397720.db2.gz YARYEPCVQMPDOF-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO COC[C@H](C)[N@@H+]1CCCN[C@@H](C)C1 83091334 573397741 /nfs/dbraw/zinc/39/77/41/573397741.db2.gz BWODVXKEPGWBRS-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO COC[C@H](C)[N@H+]1CCCN[C@@H](C)C1 83091334 573397745 /nfs/dbraw/zinc/39/77/45/573397745.db2.gz BWODVXKEPGWBRS-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CC(C)[N@H+](CCCN)CC[C@H](C)O 133496997 573409483 /nfs/dbraw/zinc/40/94/83/573409483.db2.gz MCOPIMSPHGXVGK-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)[N@@H+](CCCN)CC[C@H](C)O 133496997 573409488 /nfs/dbraw/zinc/40/94/88/573409488.db2.gz MCOPIMSPHGXVGK-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)N(CCC[NH3+])CC[C@H](C)O 133496997 573409491 /nfs/dbraw/zinc/40/94/91/573409491.db2.gz MCOPIMSPHGXVGK-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO [NH3+][C@H](CCO)CN1C[C@H]2CCC[C@H]2C1 126180802 573409512 /nfs/dbraw/zinc/40/95/12/573409512.db2.gz CXKCAIWXLZBUEJ-OUAUKWLOSA-N 1 3 198.310 0.428 10 0 ACAEHO CN(C/C=C/C[NH3+])[C@H]1CCOC1 133519293 573409555 /nfs/dbraw/zinc/40/95/55/573409555.db2.gz ZSJGSIDLJOGVOL-HPOULIHZSA-N 1 3 170.256 0.222 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCN(C)C2)[C@H](C)C[NH2+]1 83118047 573409113 /nfs/dbraw/zinc/40/91/13/573409113.db2.gz FEPCDUDEDUDJGB-GMTAPVOTSA-N 1 3 197.326 0.373 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@@H]2COCCN2)C1 259097779 573409120 /nfs/dbraw/zinc/40/91/20/573409120.db2.gz JTJBGTKERIGXME-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@@H]2COCCN2)C1 259097779 573409124 /nfs/dbraw/zinc/40/91/24/573409124.db2.gz JTJBGTKERIGXME-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H](CN(C)C(C)(C)CO)C(N)=[NH2+] 133487372 573409348 /nfs/dbraw/zinc/40/93/48/573409348.db2.gz ZFHZUSCRENMVCS-ZETCQYMHSA-N 1 3 187.287 0.261 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](NC2CC(O)C2)C1 86404770 573409456 /nfs/dbraw/zinc/40/94/56/573409456.db2.gz UYAQQPOKRUMMPR-DKEVHCRPSA-N 1 3 184.283 0.369 10 0 ACAEHO C[C@@H](O)CCN1CCC[C@H](C[NH3+])C1 133516756 573410876 /nfs/dbraw/zinc/41/08/76/573410876.db2.gz SPZHDOSZNLXEMW-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](O)CC[N@@H+]1CCC[C@H](CN)C1 133516756 573410879 /nfs/dbraw/zinc/41/08/79/573410879.db2.gz SPZHDOSZNLXEMW-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](O)CC[N@H+]1CCC[C@H](CN)C1 133516756 573410883 /nfs/dbraw/zinc/41/08/83/573410883.db2.gz SPZHDOSZNLXEMW-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](NCc2cnc[nH]2)C1 86404719 573410196 /nfs/dbraw/zinc/41/01/96/573410196.db2.gz PZACIVMBYBRZHF-RKDXNWHRSA-N 1 3 194.282 0.769 10 0 ACAEHO C[C@@H](CCN)[NH2+]CCCCO 126181242 573410245 /nfs/dbraw/zinc/41/02/45/573410245.db2.gz HCTCEWFOXJCNGN-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO CC[C@H](CN)[N@H+](C)[C@@H]1CCOC1 133503931 573410431 /nfs/dbraw/zinc/41/04/31/573410431.db2.gz KQPMFFODXCXVOF-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@H](CN)[N@@H+](C)[C@@H]1CCOC1 133503931 573410436 /nfs/dbraw/zinc/41/04/36/573410436.db2.gz KQPMFFODXCXVOF-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](NC2CC(O)C2)C1 86404772 573410462 /nfs/dbraw/zinc/41/04/62/573410462.db2.gz UYAQQPOKRUMMPR-XHHQTKHESA-N 1 3 184.283 0.369 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](NCc2cnc[nH]2)C1 86404716 573410649 /nfs/dbraw/zinc/41/06/49/573410649.db2.gz PZACIVMBYBRZHF-DTWKUNHWSA-N 1 3 194.282 0.769 10 0 ACAEHO CN1CC=C(CCC[NH3+])CC1 96299052 573606545 /nfs/dbraw/zinc/60/65/45/573606545.db2.gz JHELKEHYYYAEEH-UHFFFAOYSA-N 1 3 154.257 0.987 10 0 ACAEHO C[C@]1(O)CCN(C[C@@H]2CC[NH2+]C2)C1 259527802 573606554 /nfs/dbraw/zinc/60/65/54/573606554.db2.gz AWGCXWYYADVGNN-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1C[C@@]2(CC[NH2+]C2)CN1C 107219963 573417376 /nfs/dbraw/zinc/41/73/76/573417376.db2.gz ARQYEVXMGYOXJK-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO OC[C@H]1CC[NH2+]CC[C@H]1NC1CC1 215195994 573417433 /nfs/dbraw/zinc/41/74/33/573417433.db2.gz FERIAZADUZBTHW-PSASIEDQSA-N 1 3 184.283 0.099 10 0 ACAEHO OC[C@H]1CCNCC[C@H]1[NH2+]C1CC1 215195994 573417435 /nfs/dbraw/zinc/41/74/35/573417435.db2.gz FERIAZADUZBTHW-PSASIEDQSA-N 1 3 184.283 0.099 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N2CCC(O)CC2)C1 86409717 573417506 /nfs/dbraw/zinc/41/75/06/573417506.db2.gz RZPUFNWSQRTCGL-ZJUUUORDSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H]1[C@H]2CNCC[C@@H]2C[N@@H+]1C 107219839 573417694 /nfs/dbraw/zinc/41/76/94/573417694.db2.gz CFNCUWCMYHOYJP-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO C[C@@H]1[C@H]2CNCC[C@@H]2C[N@H+]1C 107219839 573417698 /nfs/dbraw/zinc/41/76/98/573417698.db2.gz CFNCUWCMYHOYJP-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO CN(C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86410079 573417886 /nfs/dbraw/zinc/41/78/86/573417886.db2.gz ABNKZVNYADEQKF-IONNQARKSA-N 1 3 154.257 0.960 10 0 ACAEHO CC(C)N1C[C@@H]([NH3+])C[C@H]1C 107218324 573417964 /nfs/dbraw/zinc/41/79/64/573417964.db2.gz AMGVNOXNXVHSJT-SFYZADRCSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@]1(CO)C[C@H](CN2CCCC2)C[NH2+]1 258335358 573417982 /nfs/dbraw/zinc/41/79/82/573417982.db2.gz XHNBRFJNNZKSGS-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C1CC1 107219985 573417994 /nfs/dbraw/zinc/41/79/94/573417994.db2.gz PRIMYXZHKJTJBX-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C1CC1 107219985 573418002 /nfs/dbraw/zinc/41/80/02/573418002.db2.gz PRIMYXZHKJTJBX-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N2CCCOCC2)C1 86432755 573421988 /nfs/dbraw/zinc/42/19/88/573421988.db2.gz KDHNMFZAVQBJGX-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@@H]1SCC[N@@H+]2CCCC[C@@H]12 258026639 573421994 /nfs/dbraw/zinc/42/19/94/573421994.db2.gz OPAFZTBTQXMWCH-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO NC[C@@H]1SCC[N@H+]2CCCC[C@@H]12 258026639 573421997 /nfs/dbraw/zinc/42/19/97/573421997.db2.gz OPAFZTBTQXMWCH-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO CN(CC1CC(O)C1)C1CC[NH2+]CC1 86433025 573421517 /nfs/dbraw/zinc/42/15/17/573421517.db2.gz NPUMBBGCAWFVJM-UHFFFAOYSA-N 1 3 198.310 0.441 10 0 ACAEHO C[N@@H+]1CCC[C@H](C[C@@H]2NCCO2)C1 258019764 573421669 /nfs/dbraw/zinc/42/16/69/573421669.db2.gz BXDDDUGKHSNBIA-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CCC[C@H](C[C@@H]2NCCO2)C1 258019764 573421675 /nfs/dbraw/zinc/42/16/75/573421675.db2.gz BXDDDUGKHSNBIA-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO CN1CCC([C@@H]2C[NH2+][C@H](CO)C2)CC1 258026478 573421777 /nfs/dbraw/zinc/42/17/77/573421777.db2.gz BVISCEOPNBAPQS-QWRGUYRKSA-N 1 3 198.310 0.299 10 0 ACAEHO NC[C@H]1SCC[N@@H+]2CCCC[C@H]12 258026643 573421803 /nfs/dbraw/zinc/42/18/03/573421803.db2.gz OPAFZTBTQXMWCH-RKDXNWHRSA-N 1 3 186.324 0.915 10 0 ACAEHO NC[C@H]1SCC[N@H+]2CCCC[C@H]12 258026643 573421809 /nfs/dbraw/zinc/42/18/09/573421809.db2.gz OPAFZTBTQXMWCH-RKDXNWHRSA-N 1 3 186.324 0.915 10 0 ACAEHO CN(C)C[C@H](C[NH3+])[C@@H]1CCSC1 258019800 573421882 /nfs/dbraw/zinc/42/18/82/573421882.db2.gz FXXPFGJEBDMGQU-BDAKNGLRSA-N 1 3 188.340 0.876 10 0 ACAEHO C[C@@H]1NCCCc2[nH+]c(N)[nH]c21 238390328 573426302 /nfs/dbraw/zinc/42/63/02/573426302.db2.gz DGXBJMSDSSPQAM-YFKPBYRVSA-N 1 3 166.228 0.589 10 0 ACAEHO [NH3+]C[C@]1(N2CCCCC2)CCCNC1 257811571 573426329 /nfs/dbraw/zinc/42/63/29/573426329.db2.gz BGXYSCBUXCWTKF-LLVKDONJSA-N 1 3 197.326 0.553 10 0 ACAEHO CN(CCO)[C@H]1CCC[C@H]([NH3+])C1 86431610 573426340 /nfs/dbraw/zinc/42/63/40/573426340.db2.gz NIBNWRQYDMCGEQ-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(C[C@@H]1CCCO1)[C@@H]1CC[C@H]([NH3+])C1 86431877 573426441 /nfs/dbraw/zinc/42/64/41/573426441.db2.gz BNCABIQPDYIHDN-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO CCCN(CCC)[C@H](C[NH3+])CO 130012967 573426582 /nfs/dbraw/zinc/42/65/82/573426582.db2.gz BQGUMIJYWNPSDW-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CNCc1ccnn1[C@H]1CC[NH2+]C1 257811695 573426644 /nfs/dbraw/zinc/42/66/44/573426644.db2.gz BHKUEIWGALCHFE-VIFPVBQESA-N 1 3 180.255 0.137 10 0 ACAEHO [NH3+]CCOCCNCc1ccccc1 86435451 573426677 /nfs/dbraw/zinc/42/66/77/573426677.db2.gz MTLOSNQAWGNBGL-UHFFFAOYSA-N 1 3 194.278 0.752 10 0 ACAEHO CN(CC(C)(C)O)[C@@H]1CC[C@H]([NH3+])C1 86433075 573426735 /nfs/dbraw/zinc/42/67/35/573426735.db2.gz HJRCSQMTOBHUHK-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](N2CC[C@H](O)C2)C1 86432723 573426747 /nfs/dbraw/zinc/42/67/47/573426747.db2.gz ZEIGTVJTVMRLIV-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](N2CCCOCC2)C1 86432752 573426827 /nfs/dbraw/zinc/42/68/27/573426827.db2.gz KHJITNJGJFEGDU-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CC(C)(C)[C@@H](N)N1CC[NH2+]CC1 259446589 573426833 /nfs/dbraw/zinc/42/68/33/573426833.db2.gz NWPKCURLEYTJLZ-QMMMGPOBSA-N 1 3 171.288 0.223 10 0 ACAEHO CCC(CC)N(C)[C@@H](C[NH3+])CO 130034105 573430617 /nfs/dbraw/zinc/43/06/17/573430617.db2.gz PMNRIHWINKAICG-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO CNCC[C@@H]([NH2+]C)C1CCC1 259446514 573429839 /nfs/dbraw/zinc/42/98/39/573429839.db2.gz NWJJHPQBBXWSQB-SECBINFHSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@H]1[C@@H]2CNCC[C@@H]2C[N@@H+]1C 107223691 573429960 /nfs/dbraw/zinc/42/99/60/573429960.db2.gz YHAVBBMACDNQIM-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO CC[C@@H]1[C@@H]2CNCC[C@@H]2C[N@H+]1C 107223691 573429965 /nfs/dbraw/zinc/42/99/65/573429965.db2.gz YHAVBBMACDNQIM-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C(C)(C)N1C 107223761 573430133 /nfs/dbraw/zinc/43/01/33/573430133.db2.gz KGQKIENFGADCEN-HLTSFMKQSA-N 1 3 168.284 0.935 10 0 ACAEHO Cc1ccc([C@@H]([NH3+])[C@H](O)CN)c(C)c1 259446678 573430196 /nfs/dbraw/zinc/43/01/96/573430196.db2.gz NXFAMJNJJTVFIU-GHMZBOCLSA-N 1 3 194.278 0.623 10 0 ACAEHO CC(C)N1CCC[C@@](O)(C[NH3+])C1 107225652 573430391 /nfs/dbraw/zinc/43/03/91/573430391.db2.gz XEQUPIFBBSUEPM-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CCN1C 107223778 573430490 /nfs/dbraw/zinc/43/04/90/573430490.db2.gz HPPQCGHAVTYVIG-IVZWLZJFSA-N 1 3 168.284 0.936 10 0 ACAEHO C[NH2+]Cc1cnn([C@H]2CCN(C)C2)c1 257813616 573441949 /nfs/dbraw/zinc/44/19/49/573441949.db2.gz CFYFHZPFXLYWJY-JTQLQIEISA-N 1 3 194.282 0.479 10 0 ACAEHO CN1CCC[C@H]1C1([NH3+])CCC1 258023216 573442046 /nfs/dbraw/zinc/44/20/46/573442046.db2.gz NNJIHVNLJDETJQ-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@@H](C(N)=[NH2+])N(C)[C@H]1CCN(C)C1 308587363 573442069 /nfs/dbraw/zinc/44/20/69/573442069.db2.gz STWTXMHXPOLYDY-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO CC[C@H](C(N)=[NH2+])N(C)[C@@H]1CCN(C)C1 308587364 573445385 /nfs/dbraw/zinc/44/53/85/573445385.db2.gz STWTXMHXPOLYDY-RKDXNWHRSA-N 1 3 198.314 0.337 10 0 ACAEHO C[NH2+][C@@H](C)c1ccc(CN)[nH]1 258656713 573445417 /nfs/dbraw/zinc/44/54/17/573445417.db2.gz ZXZYTKNCQQXFBE-LURJTMIESA-N 1 3 153.229 0.754 10 0 ACAEHO CN1CCC[C@@H](C(=O)C(C)(C)C[NH3+])C1 259103341 573445604 /nfs/dbraw/zinc/44/56/04/573445604.db2.gz HGVOQXSYCBUIEE-SECBINFHSA-N 1 3 198.310 0.882 10 0 ACAEHO N[C@@H]1C[C@@H]1[C@@H]1CCC[NH2+]1 259454152 573454050 /nfs/dbraw/zinc/45/40/50/573454050.db2.gz VSZHDOFOOOYFNQ-XVMARJQXSA-N 1 3 126.203 0.086 10 0 ACAEHO CC(C)N1C(N)=[NH+]C[C@]12CCN(C)C2 86473277 573453312 /nfs/dbraw/zinc/45/33/12/573453312.db2.gz BYVCCGVRESKCLY-JTQLQIEISA-N 1 3 196.298 0.099 10 0 ACAEHO CN(C)C[C@@H](F)C1CC[NH2+]CC1 107256572 573453433 /nfs/dbraw/zinc/45/34/33/573453433.db2.gz YQUDZCDROZYNFI-SECBINFHSA-N 1 3 174.263 0.886 10 0 ACAEHO CN[C@H](C)c1ccnn1[C@@H]1CC[NH2+]C1 257817241 573453477 /nfs/dbraw/zinc/45/34/77/573453477.db2.gz DSQCCUCHZCDRTA-RKDXNWHRSA-N 1 3 194.282 0.698 10 0 ACAEHO CC[C@H]1C[NH2+]CC[C@@H]1N(C)C 142532031 573453479 /nfs/dbraw/zinc/45/34/79/573453479.db2.gz NMAQNNVQRBLRNH-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@H]1CNCC[C@@H]1[NH+](C)C 142532031 573453483 /nfs/dbraw/zinc/45/34/83/573453483.db2.gz NMAQNNVQRBLRNH-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO [NH3+]CCCCN1CC[C@H](F)C1 107260985 573453526 /nfs/dbraw/zinc/45/35/26/573453526.db2.gz JUAMOKLHAOSRFV-QMMMGPOBSA-N 1 3 160.236 0.769 10 0 ACAEHO CC[C@@](C)([NH3+])CN(C)[C@H]1CCN(C)C1 308591281 573453789 /nfs/dbraw/zinc/45/37/89/573453789.db2.gz VPQJWZKZWGHYHI-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO OC[C@]1(C[C@@H]2CCCCN2)CCC[NH2+]1 258360241 573453920 /nfs/dbraw/zinc/45/39/20/573453920.db2.gz ZYQQJNGNVZRAJW-WDEREUQCSA-N 1 3 198.310 0.633 10 0 ACAEHO COc1cc(C[NH3+])c(C)cc1CN 238402980 573458419 /nfs/dbraw/zinc/45/84/19/573458419.db2.gz HCGSYAVEYYTUJY-UHFFFAOYSA-N 1 3 180.251 0.921 10 0 ACAEHO N[C@H]1C[C@@H]1[C@@H]1CCC[NH2+]1 259454144 573458613 /nfs/dbraw/zinc/45/86/13/573458613.db2.gz VSZHDOFOOOYFNQ-ACZMJKKPSA-N 1 3 126.203 0.086 10 0 ACAEHO CO[C@@H]1C[C@H]([C@@H]2CCC[NH2+]C2)N(C)C1 107265070 573458693 /nfs/dbraw/zinc/45/86/93/573458693.db2.gz NKMQVYLDVOFCSL-GMTAPVOTSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1C[C@H]([C@@H]2CCCNC2)[N@H+](C)C1 107265070 573458700 /nfs/dbraw/zinc/45/87/00/573458700.db2.gz NKMQVYLDVOFCSL-GMTAPVOTSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1C[C@H]([C@@H]2CCCNC2)[N@@H+](C)C1 107265070 573458707 /nfs/dbraw/zinc/45/87/07/573458707.db2.gz NKMQVYLDVOFCSL-GMTAPVOTSA-N 1 3 198.310 0.705 10 0 ACAEHO CN1CCCC[C@@H]1[C@@H]1C[NH2+][C@@H](CO)C1 258362477 573458744 /nfs/dbraw/zinc/45/87/44/573458744.db2.gz ZJYCZFODKSHUCL-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO N[C@@H]1C[C@@H]1[C@H]1CCC[NH2+]1 259454150 573458766 /nfs/dbraw/zinc/45/87/66/573458766.db2.gz VSZHDOFOOOYFNQ-RRKCRQDMSA-N 1 3 126.203 0.086 10 0 ACAEHO C[NH+](C)C[C@H](CN)c1ccc(O)cc1 258377210 573459965 /nfs/dbraw/zinc/45/99/65/573459965.db2.gz SOKBHIZYNLRSKI-JTQLQIEISA-N 1 3 194.278 0.996 10 0 ACAEHO NC[C@H](C[NH2+]C1CC1)[C@H]1CCOC1 258033467 573459966 /nfs/dbraw/zinc/45/99/66/573459966.db2.gz GQESUMYEKRNLEG-DTWKUNHWSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+]C[C@H](CNC1CC1)[C@H]1CCOC1 258033467 573459970 /nfs/dbraw/zinc/45/99/70/573459970.db2.gz GQESUMYEKRNLEG-DTWKUNHWSA-N 1 3 184.283 0.350 10 0 ACAEHO NCC1([C@H]([NH3+])c2ccccc2)COC1 259457981 573460028 /nfs/dbraw/zinc/46/00/28/573460028.db2.gz ONHUAAQLRPVLSA-SNVBAGLBSA-N 1 3 192.262 0.662 10 0 ACAEHO C[NH+](C)C[C@@H](CN)c1ccc(O)cc1 258377213 573460903 /nfs/dbraw/zinc/46/09/03/573460903.db2.gz SOKBHIZYNLRSKI-SNVBAGLBSA-N 1 3 194.278 0.996 10 0 ACAEHO COCCNCC[C@@H]([NH3+])C1CC1 130089034 573461127 /nfs/dbraw/zinc/46/11/27/573461127.db2.gz SHHKNMMHTCGGPP-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO NC[C@@H](C[NH2+]C1CC1)[C@@H]1CCOC1 258033459 573461130 /nfs/dbraw/zinc/46/11/30/573461130.db2.gz GQESUMYEKRNLEG-BDAKNGLRSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+]C[C@@H](CNC1CC1)[C@@H]1CCOC1 258033459 573461132 /nfs/dbraw/zinc/46/11/32/573461132.db2.gz GQESUMYEKRNLEG-BDAKNGLRSA-N 1 3 184.283 0.350 10 0 ACAEHO NCc1cnn([C@H]2CCC[NH2+]C2)c1 257814953 573461173 /nfs/dbraw/zinc/46/11/73/573461173.db2.gz CPEPNXKGVMDHMT-VIFPVBQESA-N 1 3 180.255 0.266 10 0 ACAEHO CC(C)[C@@H]1C[C@H]([NH3+])CN1C 107273180 573461244 /nfs/dbraw/zinc/46/12/44/573461244.db2.gz HFLYDSMTBUWDFO-YUMQZZPRSA-N 1 3 142.246 0.674 10 0 ACAEHO C[N@H+](CCCN)CCc1cc[nH]c1 258664057 573467656 /nfs/dbraw/zinc/46/76/56/573467656.db2.gz BZVAIQFYUZSSRM-UHFFFAOYSA-N 1 3 181.283 0.838 10 0 ACAEHO C[N@@H+](CCCN)CCc1cc[nH]c1 258664057 573467662 /nfs/dbraw/zinc/46/76/62/573467662.db2.gz BZVAIQFYUZSSRM-UHFFFAOYSA-N 1 3 181.283 0.838 10 0 ACAEHO C[C@@H](N)c1ccnn1[C@H]1CCC[NH2+]C1 257820631 573467691 /nfs/dbraw/zinc/46/76/91/573467691.db2.gz FSRRZDXPOAEWQC-BDAKNGLRSA-N 1 3 194.282 0.827 10 0 ACAEHO C[C@@H]1CO[C@@H](C2CCN(C)CC2)[NH2+]1 258397132 573467840 /nfs/dbraw/zinc/46/78/40/573467840.db2.gz IDANVRKIWWSNJS-SCZZXKLOSA-N 1 3 184.283 0.663 10 0 ACAEHO CO[C@@H](CN[C@@H](C)C1C[NH2+]C1)C1CC1 686245066 573467258 /nfs/dbraw/zinc/46/72/58/573467258.db2.gz OJHOINTYSOIXHC-KWQFWETISA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@@H](C[NH2+][C@@H](C)C1CNC1)C1CC1 686245066 573467261 /nfs/dbraw/zinc/46/72/61/573467261.db2.gz OJHOINTYSOIXHC-KWQFWETISA-N 1 3 198.310 0.609 10 0 ACAEHO OC[C@@]1(C[C@H]2CCC[NH2+]2)CCCCN1 258035033 573467293 /nfs/dbraw/zinc/46/72/93/573467293.db2.gz HOKIWIPJIAAZJS-MNOVXSKESA-N 1 3 198.310 0.633 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H](CO)CC(C)(C)C 393523342 573467514 /nfs/dbraw/zinc/46/75/14/573467514.db2.gz RBBVMBRVTGOWQT-IUCAKERBSA-N 1 3 188.315 0.720 10 0 ACAEHO C[NH+]1CCC2(CC1)NCC[C@H]2F 107282241 573472095 /nfs/dbraw/zinc/47/20/95/573472095.db2.gz SHYQZDYHEVCDKC-MRVPVSSYSA-N 1 3 172.247 0.782 10 0 ACAEHO CN1CCC2(CC1)[NH2+]CC[C@H]2F 107282241 573472100 /nfs/dbraw/zinc/47/21/00/573472100.db2.gz SHYQZDYHEVCDKC-MRVPVSSYSA-N 1 3 172.247 0.782 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H](CO)CC(C)(C)C 393523341 573472191 /nfs/dbraw/zinc/47/21/91/573472191.db2.gz RBBVMBRVTGOWQT-DTWKUNHWSA-N 1 3 188.315 0.720 10 0 ACAEHO C[NH2+][C@H](C[C@H]1CN(C)CCN1)C(C)C 259100521 573472244 /nfs/dbraw/zinc/47/22/44/573472244.db2.gz AHARQHGHTAZOGT-WDEREUQCSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@@H](C[NH3+])CNc1nccn1C 83387607 573472256 /nfs/dbraw/zinc/47/22/56/573472256.db2.gz SCLGFCYILBCBCB-ZETCQYMHSA-N 1 3 168.244 0.427 10 0 ACAEHO CN1CCC([C@@H]2C[NH2+]C[C@@]2(C)O)CC1 258037552 573472314 /nfs/dbraw/zinc/47/23/14/573472314.db2.gz IZNDBNXRRKNELP-WDEREUQCSA-N 1 3 198.310 0.299 10 0 ACAEHO C[NH2+]CC1(CNCCN(C)C)CCC1 258664947 573472356 /nfs/dbraw/zinc/47/23/56/573472356.db2.gz NVTRRSDQVPQYAX-UHFFFAOYSA-N 1 3 199.342 0.527 10 0 ACAEHO C[NH+]1CCC2(CC1)NCC[C@@H]2F 107282244 573472855 /nfs/dbraw/zinc/47/28/55/573472855.db2.gz SHYQZDYHEVCDKC-QMMMGPOBSA-N 1 3 172.247 0.782 10 0 ACAEHO CN1CCC2(CC1)[NH2+]CC[C@@H]2F 107282244 573472860 /nfs/dbraw/zinc/47/28/60/573472860.db2.gz SHYQZDYHEVCDKC-QMMMGPOBSA-N 1 3 172.247 0.782 10 0 ACAEHO CC(C)(C)C[C@@H](CO)[NH2+]CCCN 393529020 573480764 /nfs/dbraw/zinc/48/07/64/573480764.db2.gz VMBDZCKRENZHAX-VIFPVBQESA-N 1 3 188.315 0.722 10 0 ACAEHO CC(C)(C)C[C@@H](CO)NCCC[NH3+] 393529020 573480771 /nfs/dbraw/zinc/48/07/71/573480771.db2.gz VMBDZCKRENZHAX-VIFPVBQESA-N 1 3 188.315 0.722 10 0 ACAEHO C[C@H](CN(C)C)NC1CC([NH3+])C1 130157036 573481150 /nfs/dbraw/zinc/48/11/50/573481150.db2.gz PJXFZQUERJYXIW-AFPNSQJFSA-N 1 3 171.288 0.016 10 0 ACAEHO C[C@@H](CN(C)C)NC1CC([NH3+])C1 130156774 573481224 /nfs/dbraw/zinc/48/12/24/573481224.db2.gz PJXFZQUERJYXIW-UEJVZZJDSA-N 1 3 171.288 0.016 10 0 ACAEHO C[NH2+][C@H](C1CNC1)C(C)(C)C 259464718 573481226 /nfs/dbraw/zinc/48/12/26/573481226.db2.gz PSQOKZLJSFPOQI-MRVPVSSYSA-N 1 3 156.273 0.840 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCO[C@@H]1C1CC1 308597133 573484319 /nfs/dbraw/zinc/48/43/19/573484319.db2.gz ZJIBUPJLJBDTCQ-DVVUODLYSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H]1CCO[C@@H]1C1CC1 308597133 573484325 /nfs/dbraw/zinc/48/43/25/573484325.db2.gz ZJIBUPJLJBDTCQ-DVVUODLYSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1ccc[nH]1 258675627 573483500 /nfs/dbraw/zinc/48/35/00/573483500.db2.gz DFOLBNWROJGGGC-VIFPVBQESA-N 1 3 181.283 0.742 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1ccc[nH]1 258675627 573483506 /nfs/dbraw/zinc/48/35/06/573483506.db2.gz DFOLBNWROJGGGC-VIFPVBQESA-N 1 3 181.283 0.742 10 0 ACAEHO [NH3+][C@@H]1CCNC[C@H]1CCF 259471520 573483627 /nfs/dbraw/zinc/48/36/27/573483627.db2.gz WQUYSFYTQLXEIM-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO N[C@@H]1CC[NH2+]C[C@H]1CCF 259471520 573483631 /nfs/dbraw/zinc/48/36/31/573483631.db2.gz WQUYSFYTQLXEIM-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO [NH3+][C@@H]1CCNC[C@@H]1CCF 259471516 573483750 /nfs/dbraw/zinc/48/37/50/573483750.db2.gz WQUYSFYTQLXEIM-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO N[C@@H]1CC[NH2+]C[C@@H]1CCF 259471516 573483751 /nfs/dbraw/zinc/48/37/51/573483751.db2.gz WQUYSFYTQLXEIM-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO CC[C@@](C)(C[NH3+])OCCN(C)C 83400955 573484099 /nfs/dbraw/zinc/48/40/99/573484099.db2.gz LBJMEVNYBKUWDC-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO [NH3+]C[C@]1(NC2CC2)CCCOCC1 83426055 573496074 /nfs/dbraw/zinc/49/60/74/573496074.db2.gz ZZNGHHQDRPHSTK-JTQLQIEISA-N 1 3 184.283 0.636 10 0 ACAEHO CC(C)(CCN)[NH2+]C1CCOCC1 258687189 573496143 /nfs/dbraw/zinc/49/61/43/573496143.db2.gz BCNAOEVUPGGSEZ-UHFFFAOYSA-N 1 3 186.299 0.882 10 0 ACAEHO CNc1cc(N[C@H](C)C[NH3+])nc(C)n1 258691688 573495399 /nfs/dbraw/zinc/49/53/99/573495399.db2.gz JSJYAGCEZFSWPU-ZCFIWIBFSA-N 1 3 195.270 0.586 10 0 ACAEHO [NH3+]C[C@@]1(NC2CC2)CCCOCC1 83426053 573495577 /nfs/dbraw/zinc/49/55/77/573495577.db2.gz ZZNGHHQDRPHSTK-SNVBAGLBSA-N 1 3 184.283 0.636 10 0 ACAEHO CN[C@H](C[NH2+]C)C1CCOCC1 259477503 573495590 /nfs/dbraw/zinc/49/55/90/573495590.db2.gz PMTDRVKVHNFXAY-SECBINFHSA-N 1 3 172.272 0.220 10 0 ACAEHO CC[N@@H+]1CCC[C@](N)(CO)CC1 83423891 573495693 /nfs/dbraw/zinc/49/56/93/573495693.db2.gz QUHVONXTXVVJKO-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO COC[C@H]1CCC[N@@H+]1[C@@H](C)C1CNC1 686254680 573495701 /nfs/dbraw/zinc/49/57/01/573495701.db2.gz XNAORGUDSGFISI-GXSJLCMTSA-N 1 3 198.310 0.705 10 0 ACAEHO CC[N@H+]1CCC[C@](N)(CO)CC1 83423891 573495703 /nfs/dbraw/zinc/49/57/03/573495703.db2.gz QUHVONXTXVVJKO-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO COC[C@H]1CCC[N@H+]1[C@@H](C)C1CNC1 686254680 573495709 /nfs/dbraw/zinc/49/57/09/573495709.db2.gz XNAORGUDSGFISI-GXSJLCMTSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@H]1CCCN1[C@@H](C)C1C[NH2+]C1 686254680 573495712 /nfs/dbraw/zinc/49/57/12/573495712.db2.gz XNAORGUDSGFISI-GXSJLCMTSA-N 1 3 198.310 0.705 10 0 ACAEHO CC(C)(CNCC[NH3+])c1cc[nH]c1 258690096 573495763 /nfs/dbraw/zinc/49/57/63/573495763.db2.gz FTKJLWNNDFKFDY-UHFFFAOYSA-N 1 3 181.283 0.841 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@H]2CCCOCC2)C1 83426318 573495827 /nfs/dbraw/zinc/49/58/27/573495827.db2.gz JNVLJRSRYVSMJY-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@H]2CCCOCC2)C1 83426318 573495834 /nfs/dbraw/zinc/49/58/34/573495834.db2.gz JNVLJRSRYVSMJY-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C/C=C/CN1CCC([C@H](O)C[NH3+])CC1 308398657 573503662 /nfs/dbraw/zinc/50/36/62/573503662.db2.gz TZLRRBBUHOUGDI-KXMPLOMGSA-N 1 3 198.310 0.594 10 0 ACAEHO C[C@@H](C[C@@H]1CNCCO1)[NH+](C)C 259477853 573502993 /nfs/dbraw/zinc/50/29/93/573502993.db2.gz KNLDQBJMCYYNAX-DTWKUNHWSA-N 1 3 172.272 0.315 10 0 ACAEHO c1cc(CC[NH2+]C2CCNCC2)c[nH]1 259109175 573503005 /nfs/dbraw/zinc/50/30/05/573503005.db2.gz SNVDDPIDNRRGHA-UHFFFAOYSA-N 1 3 193.294 0.899 10 0 ACAEHO c1cc(CCNC2CC[NH2+]CC2)c[nH]1 259109175 573503010 /nfs/dbraw/zinc/50/30/10/573503010.db2.gz SNVDDPIDNRRGHA-UHFFFAOYSA-N 1 3 193.294 0.899 10 0 ACAEHO C[C@@H]([NH3+])CC(=O)C1CCN(C)CC1 259110104 573503094 /nfs/dbraw/zinc/50/30/94/573503094.db2.gz HSKLDKKCJZYZFB-MRVPVSSYSA-N 1 3 184.283 0.635 10 0 ACAEHO CC[C@H](CN)C[NH2+]C[C@@H](CC)OC 308398862 573503135 /nfs/dbraw/zinc/50/31/35/573503135.db2.gz GXZHHXBXHPSFCN-NXEZZACHSA-N 1 3 188.315 0.986 10 0 ACAEHO CC[C@H](C[NH3+])CNC[C@@H](CC)OC 308398862 573503138 /nfs/dbraw/zinc/50/31/38/573503138.db2.gz GXZHHXBXHPSFCN-NXEZZACHSA-N 1 3 188.315 0.986 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1cccnc1 258716438 573503205 /nfs/dbraw/zinc/50/32/05/573503205.db2.gz ILLALUHZNJADAR-JTQLQIEISA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1cccnc1 258716438 573503209 /nfs/dbraw/zinc/50/32/09/573503209.db2.gz ILLALUHZNJADAR-JTQLQIEISA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@H](C[C@H]1CNCCO1)[NH+](C)C 259477850 573503479 /nfs/dbraw/zinc/50/34/79/573503479.db2.gz KNLDQBJMCYYNAX-BDAKNGLRSA-N 1 3 172.272 0.315 10 0 ACAEHO C[C@H](C[C@@H]1CNCCO1)[NH+](C)C 259477861 573503494 /nfs/dbraw/zinc/50/34/94/573503494.db2.gz KNLDQBJMCYYNAX-RKDXNWHRSA-N 1 3 172.272 0.315 10 0 ACAEHO C[C@H](N)CC[NH2+]CC1CCOCC1 258716522 573505623 /nfs/dbraw/zinc/50/56/23/573505623.db2.gz IMWAMDALMJYVQX-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1cccnc1 258716442 573504928 /nfs/dbraw/zinc/50/49/28/573504928.db2.gz ILLALUHZNJADAR-SNVBAGLBSA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1cccnc1 258716442 573504934 /nfs/dbraw/zinc/50/49/34/573504934.db2.gz ILLALUHZNJADAR-SNVBAGLBSA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@H]2CC[N@H+](C)C2)O1 258712901 573505085 /nfs/dbraw/zinc/50/50/85/573505085.db2.gz VAIHAYXRMNDDAB-BBBLOLIVSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@H]2CC[N@@H+](C)C2)O1 258712901 573505090 /nfs/dbraw/zinc/50/50/90/573505090.db2.gz VAIHAYXRMNDDAB-BBBLOLIVSA-N 1 3 184.283 0.663 10 0 ACAEHO C[NH2+]CC1(CNC[C@@H]2CCCO2)CC1 258715392 573505318 /nfs/dbraw/zinc/50/53/18/573505318.db2.gz SUDBMKBPUVRYEX-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO CNCC1(C[NH2+]C[C@@H]2CCCO2)CC1 258715392 573505325 /nfs/dbraw/zinc/50/53/25/573505325.db2.gz SUDBMKBPUVRYEX-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO C[NH2+][C@@H](C[C@@H](C)N)C(C)C 259480873 573505488 /nfs/dbraw/zinc/50/54/88/573505488.db2.gz PSLDYINIRUQPNI-SFYZADRCSA-N 1 3 144.262 0.968 10 0 ACAEHO C[NH2+]CC1(CNC[C@H]2CCCO2)CC1 258715395 573506654 /nfs/dbraw/zinc/50/66/54/573506654.db2.gz SUDBMKBPUVRYEX-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO CNCC1(C[NH2+]C[C@H]2CCCO2)CC1 258715395 573506658 /nfs/dbraw/zinc/50/66/58/573506658.db2.gz SUDBMKBPUVRYEX-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@H]1C[C@@H](C)N(CCNC(N)=[NH2+])C1 238419398 573506691 /nfs/dbraw/zinc/50/66/91/573506691.db2.gz YIIQOMFNLPCRBU-HTQZYQBOSA-N 1 3 184.287 0.200 10 0 ACAEHO C[C@@H](O)[C@@H]([NH3+])c1ccc(CN)c(F)c1 238419831 573506766 /nfs/dbraw/zinc/50/67/66/573506766.db2.gz DWVSCYWGQNJFKI-LHLIQPBNSA-N 1 3 198.241 0.665 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@@H]2CC[N@H+](C)C2)O1 258712909 573506847 /nfs/dbraw/zinc/50/68/47/573506847.db2.gz VAIHAYXRMNDDAB-KXUCPTDWSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@@H]2CC[N@@H+](C)C2)O1 258712909 573506853 /nfs/dbraw/zinc/50/68/53/573506853.db2.gz VAIHAYXRMNDDAB-KXUCPTDWSA-N 1 3 184.283 0.663 10 0 ACAEHO C[NH2+][C@@H](C[C@H](C)N)C(C)C 259480875 573506880 /nfs/dbraw/zinc/50/68/80/573506880.db2.gz PSLDYINIRUQPNI-YUMQZZPRSA-N 1 3 144.262 0.968 10 0 ACAEHO C[C@H](O)[C@H](N)[C@H]1CCC[N@H+](C)C1 259480454 573508419 /nfs/dbraw/zinc/50/84/19/573508419.db2.gz YDBMWZBESFSWAZ-CIUDSAMLSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)[C@H](N)[C@H]1CCC[N@@H+](C)C1 259480454 573508425 /nfs/dbraw/zinc/50/84/25/573508425.db2.gz YDBMWZBESFSWAZ-CIUDSAMLSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CN)C[NH2+]C1CCOCC1 258716507 573507963 /nfs/dbraw/zinc/50/79/63/573507963.db2.gz IMPUCCJUJMALOH-QMMMGPOBSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@@H]2CC[N@H+](C)C2)O1 258712928 573508299 /nfs/dbraw/zinc/50/82/99/573508299.db2.gz VAIHAYXRMNDDAB-UTLUCORTSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@@H]2CC[N@@H+](C)C2)O1 258712928 573508305 /nfs/dbraw/zinc/50/83/05/573508305.db2.gz VAIHAYXRMNDDAB-UTLUCORTSA-N 1 3 184.283 0.663 10 0 ACAEHO CC(C)[NH2+]CC[C@H]1CN(C)CCN1 258725917 573514221 /nfs/dbraw/zinc/51/42/21/573514221.db2.gz USNCZVJJDTWCPV-JTQLQIEISA-N 1 3 185.315 0.278 10 0 ACAEHO CO[C@H]1C[C@@H]([N@H+](C)CCN)C12CCC2 308396403 573514259 /nfs/dbraw/zinc/51/42/59/573514259.db2.gz QDGVDSHRDMJXDN-ZJUUUORDSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@@H]([N@@H+](C)CCN)C12CCC2 308396403 573514264 /nfs/dbraw/zinc/51/42/64/573514264.db2.gz QDGVDSHRDMJXDN-ZJUUUORDSA-N 1 3 198.310 0.835 10 0 ACAEHO NC[C@@]12CCC[C@H]1C[N@H+](CCCO)C2 308610460 573514285 /nfs/dbraw/zinc/51/42/85/573514285.db2.gz LXILIXKYPUFPSI-WDEREUQCSA-N 1 3 198.310 0.430 10 0 ACAEHO CNCc1ccnn1[C@@H]1CCC[NH2+]C1 257821925 573514287 /nfs/dbraw/zinc/51/42/87/573514287.db2.gz GDPBADNLMHLERK-SECBINFHSA-N 1 3 194.282 0.527 10 0 ACAEHO NC[C@@]12CCC[C@H]1C[N@@H+](CCCO)C2 308610460 573514291 /nfs/dbraw/zinc/51/42/91/573514291.db2.gz LXILIXKYPUFPSI-WDEREUQCSA-N 1 3 198.310 0.430 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@H]1CCN(C)C1 258728756 573514642 /nfs/dbraw/zinc/51/46/42/573514642.db2.gz JRTUFQLJRBFYCH-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO CN(C)CC(C)(C)[NH2+]CC(C)(C)N 308613828 573522059 /nfs/dbraw/zinc/52/20/59/573522059.db2.gz INIZBFVRMPUMEF-UHFFFAOYSA-N 1 3 187.331 0.654 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@@H]1CCC(=O)C1 86618246 573522095 /nfs/dbraw/zinc/52/20/95/573522095.db2.gz UEMIUGPABQQANA-SNVBAGLBSA-N 1 3 196.294 0.792 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@@H]1CCC(=O)C1 86618246 573522100 /nfs/dbraw/zinc/52/21/00/573522100.db2.gz UEMIUGPABQQANA-SNVBAGLBSA-N 1 3 196.294 0.792 10 0 ACAEHO OCC[C@@H]1CCC[N@H+](CC2CNC2)C1 308612702 573522130 /nfs/dbraw/zinc/52/21/30/573522130.db2.gz YYMLLBKPEIDQJE-JTQLQIEISA-N 1 3 198.310 0.300 10 0 ACAEHO OCC[C@@H]1CCC[N@@H+](CC2CNC2)C1 308612702 573522131 /nfs/dbraw/zinc/52/21/31/573522131.db2.gz YYMLLBKPEIDQJE-JTQLQIEISA-N 1 3 198.310 0.300 10 0 ACAEHO C[C@@H](C[C@@H]1CC[NH2+]C1)N1CCOCC1 257826868 573522183 /nfs/dbraw/zinc/52/21/83/573522183.db2.gz FWFWRSCLFXGAEE-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CN1CC[C@H](C[NH2+]C(C)(C)CCN)C1 258737569 573521552 /nfs/dbraw/zinc/52/15/52/573521552.db2.gz FKUJVEHYRHUOPM-SNVBAGLBSA-N 1 3 199.342 0.655 10 0 ACAEHO CN[C@]1(CO)CCC[C@H]([NH+](C)C)C1 86617068 573521670 /nfs/dbraw/zinc/52/16/70/573521670.db2.gz LRRIWAUJAHLAJS-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+][C@H]1CC[C@H](N(C)C)C1 86618513 573521702 /nfs/dbraw/zinc/52/17/02/573521702.db2.gz HYXQFUNUJXITIU-YUMQZZPRSA-N 1 3 142.246 0.689 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@H]2CCC(=O)C2)C1 86618272 573521796 /nfs/dbraw/zinc/52/17/96/573521796.db2.gz DYMXGEXQECISBU-BDAKNGLRSA-N 1 3 182.267 0.389 10 0 ACAEHO C[C@]1(O)CCCN(C[C@@H]2CC[NH2+]C2)C1 258056922 573522009 /nfs/dbraw/zinc/52/20/09/573522009.db2.gz KKYXIHGANCHVRG-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CCc1cnc2n1C[C@@H]([NH3+])CN2 107330049 573522440 /nfs/dbraw/zinc/52/24/40/573522440.db2.gz KYFPMZSFDJAUQE-LURJTMIESA-N 1 3 166.228 0.198 10 0 ACAEHO CC[N@H+](C)[C@H]1CCC[C@](N)(CO)C1 86617103 573522651 /nfs/dbraw/zinc/52/26/51/573522651.db2.gz DZWJALUTFXGSDW-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)C[NH2+][C@@H](C)C1CNC1 686246211 573522664 /nfs/dbraw/zinc/52/26/64/573522664.db2.gz COIMRSXRGFABEH-QMMMGPOBSA-N 1 3 156.273 0.840 10 0 ACAEHO CC[N@@H+](C)[C@H]1CCC[C@](N)(CO)C1 86617103 573522667 /nfs/dbraw/zinc/52/26/67/573522667.db2.gz DZWJALUTFXGSDW-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(C)[C@H]1CCC[C@]([NH3+])(CO)C1 86617103 573522672 /nfs/dbraw/zinc/52/26/72/573522672.db2.gz DZWJALUTFXGSDW-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO N[C@@]1(CO)CCC[C@@H]([NH+]2CCCC2)C1 86617004 573522865 /nfs/dbraw/zinc/52/28/65/573522865.db2.gz PBUCRTDXUMWTGU-MNOVXSKESA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@@]1(CO)CCC[C@@H](N2CCCC2)C1 86617004 573522869 /nfs/dbraw/zinc/52/28/69/573522869.db2.gz PBUCRTDXUMWTGU-MNOVXSKESA-N 1 3 198.310 0.715 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N(C)C)C1 86618512 573522900 /nfs/dbraw/zinc/52/29/00/573522900.db2.gz HYXQFUNUJXITIU-SFYZADRCSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@H]([NH3+])C[C@H](N)[C@@H]1CCCO1 238425264 573522931 /nfs/dbraw/zinc/52/29/31/573522931.db2.gz FZRFVGUFGWCXFU-FXQIFTODSA-N 1 3 158.245 0.230 10 0 ACAEHO CC[NH2+]Cc1cnc(N)n1C 258057816 573523720 /nfs/dbraw/zinc/52/37/20/573523720.db2.gz GEDKGKFCXYXZQU-UHFFFAOYSA-N 1 3 154.217 0.112 10 0 ACAEHO CCNCc1c[nH+]c(N)n1C 258057816 573523731 /nfs/dbraw/zinc/52/37/31/573523731.db2.gz GEDKGKFCXYXZQU-UHFFFAOYSA-N 1 3 154.217 0.112 10 0 ACAEHO CN(C)CC(C)(C)NC[C@@H]1CCC[NH2+]1 308607071 573523992 /nfs/dbraw/zinc/52/39/92/573523992.db2.gz GJGOSNNJFNWFKE-JTQLQIEISA-N 1 3 199.342 0.668 10 0 ACAEHO C[C@]1(O)CCCN(C[C@H]2CC[NH2+]C2)C1 258056923 573524194 /nfs/dbraw/zinc/52/41/94/573524194.db2.gz KKYXIHGANCHVRG-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO CC[C@@H](CN)[C@@H]([NH3+])C1CCOCC1 259490434 573527314 /nfs/dbraw/zinc/52/73/14/573527314.db2.gz QEGKQCUNYULVSJ-WCBMZHEXSA-N 1 3 186.299 0.725 10 0 ACAEHO CC[C@H](CNCCOC)C[NH2+]C 258746324 573526523 /nfs/dbraw/zinc/52/65/23/573526523.db2.gz WPWAZZXONIDEQA-VIFPVBQESA-N 1 3 174.288 0.468 10 0 ACAEHO CCOCCC[NH2+][C@@H](C)C1CNC1 686246312 573527275 /nfs/dbraw/zinc/52/72/75/573527275.db2.gz GRVWHEHXOPHUCW-VIFPVBQESA-N 1 3 186.299 0.611 10 0 ACAEHO CCOCCCN[C@@H](C)C1C[NH2+]C1 686246312 573527281 /nfs/dbraw/zinc/52/72/81/573527281.db2.gz GRVWHEHXOPHUCW-VIFPVBQESA-N 1 3 186.299 0.611 10 0 ACAEHO CCn1nc(CN)c2c1CC[NH2+]C2 257824408 573542702 /nfs/dbraw/zinc/54/27/02/573542702.db2.gz GSXSEEQQMSHLQJ-UHFFFAOYSA-N 1 3 180.255 0.007 10 0 ACAEHO CC[C@H](CN[C@@H](C)C1C[NH2+]C1)OC 686246576 573542703 /nfs/dbraw/zinc/54/27/03/573542703.db2.gz URMNGLHXZLZXFA-WCBMZHEXSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@H](C[NH2+][C@@H](C)C1CNC1)OC 686246576 573542711 /nfs/dbraw/zinc/54/27/11/573542711.db2.gz URMNGLHXZLZXFA-WCBMZHEXSA-N 1 3 186.299 0.609 10 0 ACAEHO CCN(CC)CCN[C@H](C)C1C[NH2+]C1 686246848 573541908 /nfs/dbraw/zinc/54/19/08/573541908.db2.gz ISBGMWVLFDRYRH-SNVBAGLBSA-N 1 3 199.342 0.526 10 0 ACAEHO CO[C@@H](C)CC[NH2+][C@@H](C)C1CNC1 686246799 573541993 /nfs/dbraw/zinc/54/19/93/573541993.db2.gz FEUYODFNPCCFDU-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@@H](C)CCN[C@@H](C)C1C[NH2+]C1 686246799 573542000 /nfs/dbraw/zinc/54/20/00/573542000.db2.gz FEUYODFNPCCFDU-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H](O)CCCN[C@@H](C)C1C[NH2+]C1 686246723 573542014 /nfs/dbraw/zinc/54/20/14/573542014.db2.gz APPCWNVSQIIOKB-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CCC[NH2+][C@@H](C)C1CNC1 686246723 573542019 /nfs/dbraw/zinc/54/20/19/573542019.db2.gz APPCWNVSQIIOKB-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)[C@@H](CO)N[C@@H](C)C1C[NH2+]C1 686246758 573542072 /nfs/dbraw/zinc/54/20/72/573542072.db2.gz CEGGSYAWFHYTET-WCBMZHEXSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@@H](CN(C)C)N[C@@H]1CCC[NH2+]C1 130309576 573542075 /nfs/dbraw/zinc/54/20/75/573542075.db2.gz QWPQIPDKCZBRKD-VHSXEESVSA-N 1 3 185.315 0.278 10 0 ACAEHO CC(C)[C@@H](CO)[NH2+][C@@H](C)C1CNC1 686246758 573542078 /nfs/dbraw/zinc/54/20/78/573542078.db2.gz CEGGSYAWFHYTET-WCBMZHEXSA-N 1 3 186.299 0.201 10 0 ACAEHO CCN(CC)CCN[C@@H](C)C1C[NH2+]C1 686246847 573542094 /nfs/dbraw/zinc/54/20/94/573542094.db2.gz ISBGMWVLFDRYRH-JTQLQIEISA-N 1 3 199.342 0.526 10 0 ACAEHO CO[C@@H](C)CC[NH2+][C@H](C)C1CNC1 686246798 573542247 /nfs/dbraw/zinc/54/22/47/573542247.db2.gz FEUYODFNPCCFDU-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@@H](C)CCN[C@H](C)C1C[NH2+]C1 686246798 573542253 /nfs/dbraw/zinc/54/22/53/573542253.db2.gz FEUYODFNPCCFDU-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@]1(NC[C@H]2CC[NH2+]C2)CCOC1 393532803 573544364 /nfs/dbraw/zinc/54/43/64/573544364.db2.gz YOCWHGLQTZJBKD-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@H](CN(C)C)N[C@@H]1CCC[C@H]([NH3+])C1 130334899 573544674 /nfs/dbraw/zinc/54/46/74/573544674.db2.gz QWCFOSQJSLCEEW-OUAUKWLOSA-N 1 3 199.342 0.796 10 0 ACAEHO CN(C)CCN[C@H]1CC[NH2+]C(C)(C)C1 258770027 573544689 /nfs/dbraw/zinc/54/46/89/573544689.db2.gz PTASVWUWIRTHEY-JTQLQIEISA-N 1 3 199.342 0.668 10 0 ACAEHO CN[C@H](C)c1cnn(C2C[NH2+]C2)c1 257825036 573544792 /nfs/dbraw/zinc/54/47/92/573544792.db2.gz GYKHTJRGVLLXAT-SSDOTTSWSA-N 1 3 180.255 0.308 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C1CC(N)C1 86658222 573544845 /nfs/dbraw/zinc/54/48/45/573544845.db2.gz BEDVQWYSAYCJGF-AFPNSQJFSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C1CC(N)C1 86658222 573544848 /nfs/dbraw/zinc/54/48/48/573544848.db2.gz BEDVQWYSAYCJGF-AFPNSQJFSA-N 1 3 154.257 0.960 10 0 ACAEHO O[C@H]1CC[NH2+]C[C@H]1CN1CCCC1 257826495 573555654 /nfs/dbraw/zinc/55/56/54/573555654.db2.gz HOLCLLIFPVZEIX-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]([NH3+])CNCCc1ccc[nH]1 258775838 573555675 /nfs/dbraw/zinc/55/56/75/573555675.db2.gz OPWRPWXJGRNRAP-QMMMGPOBSA-N 1 3 167.256 0.494 10 0 ACAEHO CC(C)N[C@@H]1C[C@H]1[NH3+] 86662701 573555702 /nfs/dbraw/zinc/55/57/02/573555702.db2.gz RXALJZRQDXARNM-PHDIDXHHSA-N 1 3 114.192 0.084 10 0 ACAEHO COC[C@@H]1C[C@@H]([C@H]2CCCCN2)C[NH2+]1 258061310 573556242 /nfs/dbraw/zinc/55/62/42/573556242.db2.gz DVIUFEHMGIUXHJ-OUAUKWLOSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CCOC1)C1CNC1 686247181 573556291 /nfs/dbraw/zinc/55/62/91/573556291.db2.gz WTAICCMTYUYBAJ-IUCAKERBSA-N 1 3 184.283 0.220 10 0 ACAEHO CC1CN([C@H](C)CC[NH3+])C1 86681918 573567601 /nfs/dbraw/zinc/56/76/01/573567601.db2.gz SEZZOHAVRXJUOF-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]([NH3+])CCNCCc1cc[nH]c1 258779376 573567663 /nfs/dbraw/zinc/56/76/63/573567663.db2.gz OXOVDOJVVQESMR-VIFPVBQESA-N 1 3 181.283 0.884 10 0 ACAEHO C[C@H](N)CC[NH2+]CCc1cc[nH]c1 258779376 573567668 /nfs/dbraw/zinc/56/76/68/573567668.db2.gz OXOVDOJVVQESMR-VIFPVBQESA-N 1 3 181.283 0.884 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC[C@@H]1C 86681969 573567690 /nfs/dbraw/zinc/56/76/90/573567690.db2.gz QHJJSKDTLULLBP-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](C[NH3+])CN1CC[C@@H]1C 86682187 573567204 /nfs/dbraw/zinc/56/72/04/573567204.db2.gz QVKYFWOQDYRNGL-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CN1CC[C@@H]2[NH2+]CC[C@]2(C(F)F)C1 257831158 573567287 /nfs/dbraw/zinc/56/72/87/573567287.db2.gz JFRWTKDREXOIGM-CBAPKCEASA-N 1 3 190.237 0.935 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@@H]1CCCN(C)C1 258778092 573567326 /nfs/dbraw/zinc/56/73/26/573567326.db2.gz OUYCPPLYCYPQDZ-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@@H](C[NH3+])CN1CC2(CCOCC2)C1 86682139 573567369 /nfs/dbraw/zinc/56/73/69/573567369.db2.gz OXLJHKOIMQHONL-JTQLQIEISA-N 1 3 198.310 0.694 10 0 ACAEHO CCC1CN(C[C@@H](C)C[NH3+])C1 86682131 573567496 /nfs/dbraw/zinc/56/74/96/573567496.db2.gz XMPIHHUGMSTMPM-QMMMGPOBSA-N 1 3 156.273 0.923 10 0 ACAEHO C[NH2+]C(C)(C)CN[C@H]1CCN(C)C1 258789351 573575529 /nfs/dbraw/zinc/57/55/29/573575529.db2.gz CIIQSYKDFXYNIS-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H]1C[C@H](C[NH2+]CCCN)CO1 145267323 573575543 /nfs/dbraw/zinc/57/55/43/573575543.db2.gz UDTSMCQHLNIYHC-DTWKUNHWSA-N 1 3 172.272 0.350 10 0 ACAEHO NC1CN(CC[NH+]2CCCCC2)C1 83635887 573575041 /nfs/dbraw/zinc/57/50/41/573575041.db2.gz YSZFZXXAZSSDQL-UHFFFAOYSA-N 1 3 183.299 0.115 10 0 ACAEHO [NH3+]C1CN(CCN2CCCCC2)C1 83635887 573575047 /nfs/dbraw/zinc/57/50/47/573575047.db2.gz YSZFZXXAZSSDQL-UHFFFAOYSA-N 1 3 183.299 0.115 10 0 ACAEHO C[C@@H]1C[C@@H](C[NH2+]CCCN)CO1 145266706 573575112 /nfs/dbraw/zinc/57/51/12/573575112.db2.gz UDTSMCQHLNIYHC-BDAKNGLRSA-N 1 3 172.272 0.350 10 0 ACAEHO N[C@@H](C1CCOCC1)C1([NH3+])CC1 259514208 573575335 /nfs/dbraw/zinc/57/53/35/573575335.db2.gz RUXWCOCNPLWRPZ-QMMMGPOBSA-N 1 3 170.256 0.232 10 0 ACAEHO CC(C)(N)C[NH2+]CCCc1ncc[nH]1 308636890 573575376 /nfs/dbraw/zinc/57/53/76/573575376.db2.gz BIAQKZNVSOSGAP-UHFFFAOYSA-N 1 3 196.298 0.669 10 0 ACAEHO CC(C)([NH3+])CNCCCc1ncc[nH]1 308636890 573575383 /nfs/dbraw/zinc/57/53/83/573575383.db2.gz BIAQKZNVSOSGAP-UHFFFAOYSA-N 1 3 196.298 0.669 10 0 ACAEHO CN1CCC[C@H]([C@@H]2[NH2+]CCO2)C1 258065401 573575479 /nfs/dbraw/zinc/57/54/79/573575479.db2.gz GUZMAWUGCWEGPC-DTWKUNHWSA-N 1 3 170.256 0.274 10 0 ACAEHO CN1CC[C@H](NCC(C)(C)C[NH3+])C1 258791406 573575485 /nfs/dbraw/zinc/57/54/85/573575485.db2.gz QEIJRGHJXWHXOG-VIFPVBQESA-N 1 3 185.315 0.265 10 0 ACAEHO CN1CC[C@H]([NH2+]CC(C)(C)CN)C1 258791406 573575489 /nfs/dbraw/zinc/57/54/89/573575489.db2.gz QEIJRGHJXWHXOG-VIFPVBQESA-N 1 3 185.315 0.265 10 0 ACAEHO COCC[N@@H+]1C[C@@H](N)CCC1(C)C 259520907 573589333 /nfs/dbraw/zinc/58/93/33/573589333.db2.gz VGKUKWBKHONXQS-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[N@H+]1C[C@@H](N)CCC1(C)C 259520907 573589336 /nfs/dbraw/zinc/58/93/36/573589336.db2.gz VGKUKWBKHONXQS-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+]C(C)(C)C(=O)[C@H]1CCN(C)C1 259117349 573589227 /nfs/dbraw/zinc/58/92/27/573589227.db2.gz IMRMSNQBZARXKN-QMMMGPOBSA-N 1 3 184.283 0.505 10 0 ACAEHO CCCOCCNC[C@@H](C)C[NH3+] 714974475 573593541 /nfs/dbraw/zinc/59/35/41/573593541.db2.gz ZVNYQKFTFZYIDA-VIFPVBQESA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@@H](C[C@H]1CNCCO1)[NH2+]C 259136568 573593547 /nfs/dbraw/zinc/59/35/47/573593547.db2.gz BVRYGDUVEBBLBZ-IUCAKERBSA-N 1 3 172.272 0.363 10 0 ACAEHO CCCOCCNC[C@H](C)C[NH3+] 714974474 573593580 /nfs/dbraw/zinc/59/35/80/573593580.db2.gz ZVNYQKFTFZYIDA-SECBINFHSA-N 1 3 174.288 0.597 10 0 ACAEHO C[C@@H](N)C[C@@H]1CCCC[NH2+]1 78724408 573593599 /nfs/dbraw/zinc/59/35/99/573593599.db2.gz BVFDJJDYLNAQTD-SFYZADRCSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H]1CCCCN1 78724408 573593604 /nfs/dbraw/zinc/59/36/04/573593604.db2.gz BVFDJJDYLNAQTD-SFYZADRCSA-N 1 3 142.246 0.866 10 0 ACAEHO C1C[C@@H](N[C@@H]2CCN(C3CC3)C2)C[NH2+]1 86729518 573593015 /nfs/dbraw/zinc/59/30/15/573593015.db2.gz QRWLRSLLXHZBEP-NXEZZACHSA-N 1 3 195.310 0.175 10 0 ACAEHO C1C[C@H]([NH2+]CC2CCOCC2)CN1 86730130 573593067 /nfs/dbraw/zinc/59/30/67/573593067.db2.gz QDXWPQGRBSZBIO-JTQLQIEISA-N 1 3 184.283 0.365 10 0 ACAEHO CC[C@H](C[NH3+])C(=O)[C@@H]1CCN(C)C1 259137883 573597412 /nfs/dbraw/zinc/59/74/12/573597412.db2.gz NARRZFZVNQTITI-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO C[NH+]1CCC(C[C@@H]2NCCO2)CC1 258070999 573597014 /nfs/dbraw/zinc/59/70/14/573597014.db2.gz HJBCGNCYFYKOTD-SNVBAGLBSA-N 1 3 184.283 0.664 10 0 ACAEHO CN1CCC(C[C@@H]2[NH2+]CCO2)CC1 258070999 573597018 /nfs/dbraw/zinc/59/70/18/573597018.db2.gz HJBCGNCYFYKOTD-SNVBAGLBSA-N 1 3 184.283 0.664 10 0 ACAEHO O[C@@]1(CNC2CCC2)CCC[NH2+]C1 257836225 573597054 /nfs/dbraw/zinc/59/70/54/573597054.db2.gz KZRPCIVOBWJBFK-JTQLQIEISA-N 1 3 184.283 0.243 10 0 ACAEHO CC[C@@H](C[NH3+])C(=O)[C@@H]1CCN(C)C1 259137879 573597090 /nfs/dbraw/zinc/59/70/90/573597090.db2.gz NARRZFZVNQTITI-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO C[NH+]1CCC(C[C@H]2NCCO2)CC1 258070995 573597116 /nfs/dbraw/zinc/59/71/16/573597116.db2.gz HJBCGNCYFYKOTD-JTQLQIEISA-N 1 3 184.283 0.664 10 0 ACAEHO CN1CCC(C[C@H]2[NH2+]CCO2)CC1 258070995 573597122 /nfs/dbraw/zinc/59/71/22/573597122.db2.gz HJBCGNCYFYKOTD-JTQLQIEISA-N 1 3 184.283 0.664 10 0 ACAEHO CC[C@@H](CN)[C@@H](C)[NH+](C)C 259522653 573597208 /nfs/dbraw/zinc/59/72/08/573597208.db2.gz MUMALBZEYVYPRN-SFYZADRCSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@@H](C[NH3+])[C@@H](C)N(C)C 259522653 573597211 /nfs/dbraw/zinc/59/72/11/573597211.db2.gz MUMALBZEYVYPRN-SFYZADRCSA-N 1 3 144.262 0.921 10 0 ACAEHO NC[C@H](O)[C@@H]([NH3+])C1CCCCC1 259529261 573611047 /nfs/dbraw/zinc/61/10/47/573611047.db2.gz SRIZICHULOPJDJ-IUCAKERBSA-N 1 3 172.272 0.214 10 0 ACAEHO N[C@@H](C1CCCCC1)[C@@H](O)C[NH3+] 259529261 573611050 /nfs/dbraw/zinc/61/10/50/573611050.db2.gz SRIZICHULOPJDJ-IUCAKERBSA-N 1 3 172.272 0.214 10 0 ACAEHO NC[C@@H](O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 83700342 573599508 /nfs/dbraw/zinc/59/95/08/573599508.db2.gz RQVJLWXZGHRNND-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H](O)C[N@H+]1CCC[C@H]2CCC[C@H]21 83700342 573599512 /nfs/dbraw/zinc/59/95/12/573599512.db2.gz RQVJLWXZGHRNND-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO Cn1ccnc1NCCC[NH2+]C1CC1 50606796 573612943 /nfs/dbraw/zinc/61/29/43/573612943.db2.gz VVYQRAHNTBTFCT-UHFFFAOYSA-N 1 3 194.282 0.974 10 0 ACAEHO C[C@@H]1[C@H]2COCC[C@@H]2NCC[N@@H+]1C 238448819 573614545 /nfs/dbraw/zinc/61/45/45/573614545.db2.gz OFQJGIVFQNKVER-BBBLOLIVSA-N 1 3 184.283 0.315 10 0 ACAEHO C[C@@H]1[C@H]2COCC[C@@H]2NCC[N@H+]1C 238448819 573614551 /nfs/dbraw/zinc/61/45/51/573614551.db2.gz OFQJGIVFQNKVER-BBBLOLIVSA-N 1 3 184.283 0.315 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+](C)[C@@H]1C 107455741 573614611 /nfs/dbraw/zinc/61/46/11/573614611.db2.gz FDQMSQVHPRZOES-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+](C)[C@@H]1C 107455741 573614617 /nfs/dbraw/zinc/61/46/17/573614617.db2.gz FDQMSQVHPRZOES-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@H](C[NH3+])CN(C)[C@@H]1C 107455741 573614621 /nfs/dbraw/zinc/61/46/21/573614621.db2.gz FDQMSQVHPRZOES-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO NCc1cc([C@@H]2CCC[NH2+]2)[nH]n1 259131533 573614089 /nfs/dbraw/zinc/61/40/89/573614089.db2.gz GTSVQGOIIIVVDI-ZETCQYMHSA-N 1 3 166.228 0.293 10 0 ACAEHO C[C@@H](CCN)[NH2+]CCCn1ccnc1 308643046 573614326 /nfs/dbraw/zinc/61/43/26/573614326.db2.gz FAZUGHKCCUWBBU-JTQLQIEISA-N 1 3 196.298 0.600 10 0 ACAEHO CC1(C)C[C@H](N)[C@@H](N)C(C)(C)[NH2+]1 75561692 573616390 /nfs/dbraw/zinc/61/63/90/573616390.db2.gz OXZWRZACXSXEBV-NKWVEPMBSA-N 1 3 171.288 0.192 10 0 ACAEHO CC1(C)C[C@H]([NH3+])[C@@H](N)C(C)(C)N1 75561692 573616392 /nfs/dbraw/zinc/61/63/92/573616392.db2.gz OXZWRZACXSXEBV-NKWVEPMBSA-N 1 3 171.288 0.192 10 0 ACAEHO C[N@@H+]1C[C@H]2CCC[C@@H](C1)NC2 211950815 573615775 /nfs/dbraw/zinc/61/57/75/573615775.db2.gz OCHBGJJNQYRVKD-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1C[C@H]2CCC[C@@H](C1)NC2 211950815 573615779 /nfs/dbraw/zinc/61/57/79/573615779.db2.gz OCHBGJJNQYRVKD-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CC(C)(N)C[NH2+]CCN1CCCCC1 308642371 573616734 /nfs/dbraw/zinc/61/67/34/573616734.db2.gz DTWHJSICJBVSLV-UHFFFAOYSA-N 1 3 199.342 0.799 10 0 ACAEHO CC(C)([NH3+])CNCCN1CCCCC1 308642371 573616740 /nfs/dbraw/zinc/61/67/40/573616740.db2.gz DTWHJSICJBVSLV-UHFFFAOYSA-N 1 3 199.342 0.799 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCN(C2CC2)C1 211950257 573616884 /nfs/dbraw/zinc/61/68/84/573616884.db2.gz YNZVKRUGIVGQIG-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO C1[C@@H]2CN(C[C@H]3C[NH2+]CC34CC4)C[C@H]12 716010762 573621538 /nfs/dbraw/zinc/62/15/38/573621538.db2.gz WECZJIOAQGLNNL-OUAUKWLOSA-N 1 3 192.306 0.938 10 0 ACAEHO CN(Cc1ccoc1)C[C@@H](O)CC[NH3+] 308644392 573621700 /nfs/dbraw/zinc/62/17/00/573621700.db2.gz GFUGZYWUPLGGPT-JTQLQIEISA-N 1 3 198.266 0.421 10 0 ACAEHO CC(C)(CN)C[NH2+]CCn1ccnc1 308644655 573621805 /nfs/dbraw/zinc/62/18/05/573621805.db2.gz GKJVONUQKMZAEK-UHFFFAOYSA-N 1 3 196.298 0.458 10 0 ACAEHO CC(C)(C[NH3+])CNCCn1ccnc1 308644655 573621808 /nfs/dbraw/zinc/62/18/08/573621808.db2.gz GKJVONUQKMZAEK-UHFFFAOYSA-N 1 3 196.298 0.458 10 0 ACAEHO CC[C@@H](C[NH3+])NC[C@@H]1CCCO1 83774271 573621835 /nfs/dbraw/zinc/62/18/35/573621835.db2.gz BYOLSGSGKVWUSA-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CCCC(C[NH3+])(CCC)NCCO 83758174 573625206 /nfs/dbraw/zinc/62/52/06/573625206.db2.gz QBXQHNXCDRZYHF-UHFFFAOYSA-N 1 3 188.315 0.866 10 0 ACAEHO CCN(C)CCN[C@H]1C[C@H]([NH3+])C1(C)C 405209235 573625276 /nfs/dbraw/zinc/62/52/76/573625276.db2.gz HKQGMPJWSRTIGK-UWVGGRQHSA-N 1 3 199.342 0.654 10 0 ACAEHO CC(C)[C@H]([NH3+])[C@@H]1CCN(C)C1 82406155 573625360 /nfs/dbraw/zinc/62/53/60/573625360.db2.gz NCEREWMRNRGUFF-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@H]([NH3+])[C@H]1CCN(C)C1 82406157 573625463 /nfs/dbraw/zinc/62/54/63/573625463.db2.gz NCEREWMRNRGUFF-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO [NH3+]C[C@@]1(NC2CCCC2)CCOC1 83762444 573625507 /nfs/dbraw/zinc/62/55/07/573625507.db2.gz JOTCKEBUSMFNSK-JTQLQIEISA-N 1 3 184.283 0.636 10 0 ACAEHO O[C@@H](CN1CCCCCC1)[C@H]1CC[NH2+]1 259133627 573625808 /nfs/dbraw/zinc/62/58/08/573625808.db2.gz GDUOKERLPJFMEA-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@@H](C[NH+]1CCCCCC1)[C@H]1CCN1 259133627 573625815 /nfs/dbraw/zinc/62/58/15/573625815.db2.gz GDUOKERLPJFMEA-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@H](CCC[NH3+])NCc1ccn(C)n1 308659555 573627153 /nfs/dbraw/zinc/62/71/53/573627153.db2.gz PDFVESSFFHEERO-SECBINFHSA-N 1 3 196.298 0.637 10 0 ACAEHO C[NH2+]CC1([C@@H](N)C2CCOCC2)CC1 259535514 573627235 /nfs/dbraw/zinc/62/72/35/573627235.db2.gz TVMPONACQGZLTM-JTQLQIEISA-N 1 3 198.310 0.740 10 0 ACAEHO Cn1nc(C[C@H]2CCC[NH2+]2)cc1CN 259132325 573627237 /nfs/dbraw/zinc/62/72/37/573627237.db2.gz GWKCWKZQAKKZQE-MRVPVSSYSA-N 1 3 194.282 0.173 10 0 ACAEHO CNCC1([C@@H]([NH3+])C2CCOCC2)CC1 259535514 573627243 /nfs/dbraw/zinc/62/72/43/573627243.db2.gz TVMPONACQGZLTM-JTQLQIEISA-N 1 3 198.310 0.740 10 0 ACAEHO C[C@H](N[C@@H]1CCCOC1)C1C[NH2+]C1 686247537 573627516 /nfs/dbraw/zinc/62/75/16/573627516.db2.gz BPFVXXASQKYENT-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCCOC1)C1CNC1 686247537 573627523 /nfs/dbraw/zinc/62/75/23/573627523.db2.gz BPFVXXASQKYENT-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO O[C@@H](CN1CCCCCC1)[C@@H]1CC[NH2+]1 259133630 573627555 /nfs/dbraw/zinc/62/75/55/573627555.db2.gz GDUOKERLPJFMEA-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@@H](C[NH+]1CCCCCC1)[C@@H]1CCN1 259133630 573627558 /nfs/dbraw/zinc/62/75/58/573627558.db2.gz GDUOKERLPJFMEA-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@H](N[C@@H]1CCCOC1)C1C[NH2+]C1 686247534 573627649 /nfs/dbraw/zinc/62/76/49/573627649.db2.gz BPFVXXASQKYENT-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1CCCOC1)C1CNC1 686247534 573627651 /nfs/dbraw/zinc/62/76/51/573627651.db2.gz BPFVXXASQKYENT-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO CC(C)N(CCO)CCC(C)(C)[NH3+] 393543889 573628801 /nfs/dbraw/zinc/62/88/01/573628801.db2.gz AEJUYQBTBLCKRZ-UHFFFAOYSA-N 1 3 188.315 0.817 10 0 ACAEHO N[C@@H]1CCC[N@@H+](C2CCOCC2)CC1 107465232 573628102 /nfs/dbraw/zinc/62/81/02/573628102.db2.gz PNZRVPYTIKFTFT-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CCC[N@H+](C2CCOCC2)CC1 107465232 573628106 /nfs/dbraw/zinc/62/81/06/573628106.db2.gz PNZRVPYTIKFTFT-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO NCN1CC[N@@H+]2CCCC[C@H]2C1 259132195 573628253 /nfs/dbraw/zinc/62/82/53/573628253.db2.gz IAXDCJBGWDGOND-VIFPVBQESA-N 1 3 169.272 0.073 10 0 ACAEHO NCN1CC[N@H+]2CCCC[C@H]2C1 259132195 573628259 /nfs/dbraw/zinc/62/82/59/573628259.db2.gz IAXDCJBGWDGOND-VIFPVBQESA-N 1 3 169.272 0.073 10 0 ACAEHO O[C@H](CN1CCCCCC1)[C@@H]1CC[NH2+]1 259133633 573628378 /nfs/dbraw/zinc/62/83/78/573628378.db2.gz GDUOKERLPJFMEA-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@H](C[NH+]1CCCCCC1)[C@@H]1CCN1 259133633 573628385 /nfs/dbraw/zinc/62/83/85/573628385.db2.gz GDUOKERLPJFMEA-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)N)C1 308649845 573628486 /nfs/dbraw/zinc/62/84/86/573628486.db2.gz JMDYHJXFPGLCFY-VWYCJHECSA-N 1 3 199.342 0.796 10 0 ACAEHO CC(C)(C)[N@@H+]1CC[C@](O)(CN)C1 259533097 573628487 /nfs/dbraw/zinc/62/84/87/573628487.db2.gz BEJZUFRCWZUCNP-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)(C)[N@H+]1CC[C@](O)(CN)C1 259533097 573628491 /nfs/dbraw/zinc/62/84/91/573628491.db2.gz BEJZUFRCWZUCNP-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CCN1CCC[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1 308649845 573628493 /nfs/dbraw/zinc/62/84/93/573628493.db2.gz JMDYHJXFPGLCFY-VWYCJHECSA-N 1 3 199.342 0.796 10 0 ACAEHO C[NH2+]CC1([C@H](N)C2CCOCC2)CC1 259535517 573628511 /nfs/dbraw/zinc/62/85/11/573628511.db2.gz TVMPONACQGZLTM-SNVBAGLBSA-N 1 3 198.310 0.740 10 0 ACAEHO CNCC1([C@H]([NH3+])C2CCOCC2)CC1 259535517 573628518 /nfs/dbraw/zinc/62/85/18/573628518.db2.gz TVMPONACQGZLTM-SNVBAGLBSA-N 1 3 198.310 0.740 10 0 ACAEHO CCN1CCC[C@H](N[C@@H](C)[C@H](C)[NH3+])C1 308649843 573630502 /nfs/dbraw/zinc/63/05/02/573630502.db2.gz JMDYHJXFPGLCFY-DCAQKATOSA-N 1 3 199.342 0.796 10 0 ACAEHO C1Cc2nc([C@@H]3CC[NH2+]C3)[nH]c2CN1 258824877 573629815 /nfs/dbraw/zinc/62/98/15/573629815.db2.gz RNDFNASMOLAWPU-SSDOTTSWSA-N 1 3 192.266 0.132 10 0 ACAEHO NCN1CC[N@@H+]2CCCC[C@@H]2C1 259132192 573630263 /nfs/dbraw/zinc/63/02/63/573630263.db2.gz IAXDCJBGWDGOND-SECBINFHSA-N 1 3 169.272 0.073 10 0 ACAEHO NCN1CC[N@H+]2CCCC[C@@H]2C1 259132192 573630267 /nfs/dbraw/zinc/63/02/67/573630267.db2.gz IAXDCJBGWDGOND-SECBINFHSA-N 1 3 169.272 0.073 10 0 ACAEHO CCN1CCC[C@H]([NH2+][C@@H](C)[C@H](C)N)C1 308649843 573630496 /nfs/dbraw/zinc/63/04/96/573630496.db2.gz JMDYHJXFPGLCFY-DCAQKATOSA-N 1 3 199.342 0.796 10 0 ACAEHO CCNC[C@](C)([NH3+])CC 86809339 573631471 /nfs/dbraw/zinc/63/14/71/573631471.db2.gz QNXXFKVFGQQRAT-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CC(C)(C)[N@@H+]1CC[C@@](O)(CN)C1 259533096 573631551 /nfs/dbraw/zinc/63/15/51/573631551.db2.gz BEJZUFRCWZUCNP-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)(C)[N@H+]1CC[C@@](O)(CN)C1 259533096 573631554 /nfs/dbraw/zinc/63/15/54/573631554.db2.gz BEJZUFRCWZUCNP-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CNC(=[NH2+])[C@@H]1CCCN(C)C1 259143835 573631718 /nfs/dbraw/zinc/63/17/18/573631718.db2.gz JZUNNEXNNUHPAG-SSDOTTSWSA-N 1 3 155.245 0.525 10 0 ACAEHO C[NH2+]CCc1cnc([C@H]2CCCN2)o1 258072935 573631881 /nfs/dbraw/zinc/63/18/81/573631881.db2.gz MBWBKKCQNPDALS-SECBINFHSA-N 1 3 195.266 0.861 10 0 ACAEHO C1CC[C@@H](CNC2=[NH+]CCCN2)NC1 257834503 573634375 /nfs/dbraw/zinc/63/43/75/573634375.db2.gz ABBNOOWEHPDKMS-VIFPVBQESA-N 1 3 196.298 0.067 10 0 ACAEHO CC(C)(C)O[C@@]1(C[NH3+])CCCNC1 259538303 573634417 /nfs/dbraw/zinc/63/44/17/573634417.db2.gz BNLBNJRXNKNZSM-SNVBAGLBSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@@](C)([NH3+])CNC1CC1 86809311 573634531 /nfs/dbraw/zinc/63/45/31/573634531.db2.gz QNKDWGQWDVGJMW-MRVPVSSYSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H](CCC[NH3+])N1CCC[C@H]1C(N)=O 393667679 573634533 /nfs/dbraw/zinc/63/45/33/573634533.db2.gz FCOYPQZXZAJIOS-BDAKNGLRSA-N 1 3 199.298 0.064 10 0 ACAEHO CC[NH+]1CCC([C@H]2NCCO2)CC1 258073508 573634583 /nfs/dbraw/zinc/63/45/83/573634583.db2.gz HNSPWZKYNMQLFD-JTQLQIEISA-N 1 3 184.283 0.664 10 0 ACAEHO CCN1CCC[C@@H]1[C@@H]1C[NH2+][C@H](CO)C1 258073578 573634599 /nfs/dbraw/zinc/63/45/99/573634599.db2.gz FLJLSPYURVYRIW-GARJFASQSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](N)c1nc([C@@H]2CC[N@H+](C)C2)c[nH]1 259147502 573634712 /nfs/dbraw/zinc/63/47/12/573634712.db2.gz SJLYRNKMRGNKAV-JGVFFNPUSA-N 1 3 194.282 0.849 10 0 ACAEHO C[C@H](N)c1nc([C@@H]2CC[N@@H+](C)C2)c[nH]1 259147502 573634719 /nfs/dbraw/zinc/63/47/19/573634719.db2.gz SJLYRNKMRGNKAV-JGVFFNPUSA-N 1 3 194.282 0.849 10 0 ACAEHO CC[C@@](C)([NH3+])CN1CCCN(C)CC1 86808931 573634746 /nfs/dbraw/zinc/63/47/46/573634746.db2.gz WNVQNHPYHXUBFR-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN1CCC[C@@H]1[C@H]1C[NH2+][C@@H](CO)C1 258073579 573636032 /nfs/dbraw/zinc/63/60/32/573636032.db2.gz FLJLSPYURVYRIW-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](N)c1nc([C@H]2CC[N@H+](C)C2)c[nH]1 259147505 573636209 /nfs/dbraw/zinc/63/62/09/573636209.db2.gz SJLYRNKMRGNKAV-SFYZADRCSA-N 1 3 194.282 0.849 10 0 ACAEHO C[C@@H](N)c1nc([C@H]2CC[N@@H+](C)C2)c[nH]1 259147505 573636215 /nfs/dbraw/zinc/63/62/15/573636215.db2.gz SJLYRNKMRGNKAV-SFYZADRCSA-N 1 3 194.282 0.849 10 0 ACAEHO C[C@H](N)[C@H]([N@H+](C)CCO)C(C)(C)C 43293114 573636370 /nfs/dbraw/zinc/63/63/70/573636370.db2.gz POXJQFBOFMELMD-IUCAKERBSA-N 1 3 188.315 0.672 10 0 ACAEHO C[NH2+]CC[C@@H](C)NC[C@H](C)OC 323201477 573636373 /nfs/dbraw/zinc/63/63/73/573636373.db2.gz GDURXQPBSGZHAE-BDAKNGLRSA-N 1 3 174.288 0.609 10 0 ACAEHO C[C@H](N)[C@H]([N@@H+](C)CCO)C(C)(C)C 43293114 573636376 /nfs/dbraw/zinc/63/63/76/573636376.db2.gz POXJQFBOFMELMD-IUCAKERBSA-N 1 3 188.315 0.672 10 0 ACAEHO CNCC[C@@H](C)[NH2+]C[C@H](C)OC 323201477 573636380 /nfs/dbraw/zinc/63/63/80/573636380.db2.gz GDURXQPBSGZHAE-BDAKNGLRSA-N 1 3 174.288 0.609 10 0 ACAEHO C[C@@H]([NH3+])C1(CN)CC1 259145958 573636486 /nfs/dbraw/zinc/63/64/86/573636486.db2.gz BILSMXJRTFQWMY-RXMQYKEDSA-N 1 3 114.192 0.073 10 0 ACAEHO C[C@H](N)c1nc([C@H]2CC[N@H+](C)C2)c[nH]1 259147509 573637241 /nfs/dbraw/zinc/63/72/41/573637241.db2.gz SJLYRNKMRGNKAV-YUMQZZPRSA-N 1 3 194.282 0.849 10 0 ACAEHO C[C@H](N)c1nc([C@H]2CC[N@@H+](C)C2)c[nH]1 259147509 573637245 /nfs/dbraw/zinc/63/72/45/573637245.db2.gz SJLYRNKMRGNKAV-YUMQZZPRSA-N 1 3 194.282 0.849 10 0 ACAEHO CCN1CCC[C@]([NH3+])(CC(N)=O)CC1 215299800 573637265 /nfs/dbraw/zinc/63/72/65/573637265.db2.gz ZWCGPIHATDDCFZ-SNVBAGLBSA-N 1 3 199.298 0.065 10 0 ACAEHO CC[N@@H+]1CCC[C@](N)(CC(N)=O)CC1 215299800 573637270 /nfs/dbraw/zinc/63/72/70/573637270.db2.gz ZWCGPIHATDDCFZ-SNVBAGLBSA-N 1 3 199.298 0.065 10 0 ACAEHO CC[N@H+]1CCC[C@](N)(CC(N)=O)CC1 215299800 573637274 /nfs/dbraw/zinc/63/72/74/573637274.db2.gz ZWCGPIHATDDCFZ-SNVBAGLBSA-N 1 3 199.298 0.065 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C[C@H](O)C1CC1 308651756 573637730 /nfs/dbraw/zinc/63/77/30/573637730.db2.gz KOSXSZXAFBNWNA-MIMYLULJSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC[C@H](O)C1CC1 308651756 573637734 /nfs/dbraw/zinc/63/77/34/573637734.db2.gz KOSXSZXAFBNWNA-MIMYLULJSA-N 1 3 198.310 0.345 10 0 ACAEHO CC[C@H]1CC[C@@H](N)C[N@@H+]1C 82409562 573640302 /nfs/dbraw/zinc/64/03/02/573640302.db2.gz ZPPWXZFPKMQKGV-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@H]1CC[C@@H](N)C[N@H+]1C 82409562 573640307 /nfs/dbraw/zinc/64/03/07/573640307.db2.gz ZPPWXZFPKMQKGV-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H]1C[C@](C)([NH3+])CCN1C 82409601 573640770 /nfs/dbraw/zinc/64/07/70/573640770.db2.gz BXZUZRVTXXRNRK-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO CN1CCN[C@H](C[C@H]([NH3+])C2CCC2)C1 259145945 573640801 /nfs/dbraw/zinc/64/08/01/573640801.db2.gz BIHSFUHOMOXIDN-MNOVXSKESA-N 1 3 197.326 0.408 10 0 ACAEHO C[C@H](N[C@H]1CCSC1)C1C[NH2+]C1 686247838 573643551 /nfs/dbraw/zinc/64/35/51/573643551.db2.gz CEUFLOZYOWVELM-CBAPKCEASA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCSC1)C1CNC1 686247838 573643556 /nfs/dbraw/zinc/64/35/56/573643556.db2.gz CEUFLOZYOWVELM-CBAPKCEASA-N 1 3 186.324 0.689 10 0 ACAEHO [NH3+]Cc1cnn([C@H]2CN3CC[C@H]2C3)c1 259538730 573643593 /nfs/dbraw/zinc/64/35/93/573643593.db2.gz BQPRWLOGCAZWHB-UWVGGRQHSA-N 1 3 192.266 0.218 10 0 ACAEHO C[C@@H](CCC[NH3+])N1CCC[C@H]1C(N)=O 393667683 573643609 /nfs/dbraw/zinc/64/36/09/573643609.db2.gz FCOYPQZXZAJIOS-IUCAKERBSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H](CN)C12CCC2 107781524 573643641 /nfs/dbraw/zinc/64/36/41/573643641.db2.gz CXWFVMUGNDGCHR-BDAKNGLRSA-N 1 3 168.284 0.971 10 0 ACAEHO CCN1CCC[NH+](CCO)CCC1 224469809 573643646 /nfs/dbraw/zinc/64/36/46/573643646.db2.gz GBHKZMOJGZVJHR-UHFFFAOYSA-N 1 3 186.299 0.396 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@]2(C)NCCO2)C1 258833618 573643306 /nfs/dbraw/zinc/64/33/06/573643306.db2.gz ZFWZCMRFWUMCNW-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@]2(C)NCCO2)C1 258833618 573643311 /nfs/dbraw/zinc/64/33/11/573643311.db2.gz ZFWZCMRFWUMCNW-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H](CN)C12CCC2 107781536 573643350 /nfs/dbraw/zinc/64/33/50/573643350.db2.gz CXWFVMUGNDGCHR-DTWKUNHWSA-N 1 3 168.284 0.971 10 0 ACAEHO CC(C)C[C@H]([C@H](O)CN)[NH+](C)C 259539750 573647105 /nfs/dbraw/zinc/64/71/05/573647105.db2.gz NRMPTLUSPHQPMB-RKDXNWHRSA-N 1 3 174.288 0.282 10 0 ACAEHO CC(C)C[C@H]([C@H](O)C[NH3+])N(C)C 259539750 573647107 /nfs/dbraw/zinc/64/71/07/573647107.db2.gz NRMPTLUSPHQPMB-RKDXNWHRSA-N 1 3 174.288 0.282 10 0 ACAEHO CC[C@@H](CNC)[C@H](C)[NH2+]C 259150773 573647143 /nfs/dbraw/zinc/64/71/43/573647143.db2.gz ICHDFRVHBBKOJD-YUMQZZPRSA-N 1 3 144.262 0.840 10 0 ACAEHO CC[C@@H](C[NH2+]C)[C@H](C)NC 259150773 573647144 /nfs/dbraw/zinc/64/71/44/573647144.db2.gz ICHDFRVHBBKOJD-YUMQZZPRSA-N 1 3 144.262 0.840 10 0 ACAEHO C[C@H](CN[C@H]1CCC[NH2+]C1)N(C)C 43327405 573647228 /nfs/dbraw/zinc/64/72/28/573647228.db2.gz NNYFSVVFSQSSQZ-ZJUUUORDSA-N 1 3 185.315 0.278 10 0 ACAEHO C[NH2+][C@H]1CCN(CCN(C)C)C1(C)C 259539901 573647264 /nfs/dbraw/zinc/64/72/64/573647264.db2.gz WOZVRGGUTOALGA-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C=COCCC[NH2+][C@@H](C)C1CNC1 686248013 573647306 /nfs/dbraw/zinc/64/73/06/573647306.db2.gz GILUWFRVZYEZFI-VIFPVBQESA-N 1 3 184.283 0.734 10 0 ACAEHO C=COCCCN[C@@H](C)C1C[NH2+]C1 686248013 573647310 /nfs/dbraw/zinc/64/73/10/573647310.db2.gz GILUWFRVZYEZFI-VIFPVBQESA-N 1 3 184.283 0.734 10 0 ACAEHO CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2N)C1 258832831 573647364 /nfs/dbraw/zinc/64/73/64/573647364.db2.gz DICJHGHLRSRSMG-DCAQKATOSA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 258832831 573647368 /nfs/dbraw/zinc/64/73/68/573647368.db2.gz DICJHGHLRSRSMG-DCAQKATOSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1ccncc1 258834959 573647459 /nfs/dbraw/zinc/64/74/59/573647459.db2.gz VNPCJVSPYBWMFB-JTQLQIEISA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1ccncc1 258834959 573647463 /nfs/dbraw/zinc/64/74/63/573647463.db2.gz VNPCJVSPYBWMFB-JTQLQIEISA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@H](CN[C@@H]1CCC[NH2+]C1)N(C)C 43327403 573647716 /nfs/dbraw/zinc/64/77/16/573647716.db2.gz NNYFSVVFSQSSQZ-NXEZZACHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@@H]([NH3+])CCNCCc1ccc[nH]1 258831067 573647938 /nfs/dbraw/zinc/64/79/38/573647938.db2.gz VIHSMXCSVANWEP-SECBINFHSA-N 1 3 181.283 0.884 10 0 ACAEHO C[C@@H](N)CC[NH2+]CCc1ccc[nH]1 258831067 573647940 /nfs/dbraw/zinc/64/79/40/573647940.db2.gz VIHSMXCSVANWEP-SECBINFHSA-N 1 3 181.283 0.884 10 0 ACAEHO C[C@@H]1CN(CCO)C[C@H](C[NH3+])C12CC2 107781837 573648836 /nfs/dbraw/zinc/64/88/36/573648836.db2.gz ILHBPXPOOVLEJM-ZJUUUORDSA-N 1 3 198.310 0.286 10 0 ACAEHO C[C@@H]1C[N@H+](CCO)C[C@H](CN)C12CC2 107781837 573648844 /nfs/dbraw/zinc/64/88/44/573648844.db2.gz ILHBPXPOOVLEJM-ZJUUUORDSA-N 1 3 198.310 0.286 10 0 ACAEHO C[C@@H]1C[N@@H+](CCO)C[C@H](CN)C12CC2 107781837 573648849 /nfs/dbraw/zinc/64/88/49/573648849.db2.gz ILHBPXPOOVLEJM-ZJUUUORDSA-N 1 3 198.310 0.286 10 0 ACAEHO C[N@H+](CCC1CCCC1)C[C@@H](N)CN 258829723 573648879 /nfs/dbraw/zinc/64/88/79/573648879.db2.gz DFPVTQCCYAVEHO-NSHDSACASA-N 1 3 199.342 0.785 10 0 ACAEHO C[N@@H+](CCC1CCCC1)C[C@@H](N)CN 258829723 573648884 /nfs/dbraw/zinc/64/88/84/573648884.db2.gz DFPVTQCCYAVEHO-NSHDSACASA-N 1 3 199.342 0.785 10 0 ACAEHO CN(CCC1CCCC1)C[C@@H](N)C[NH3+] 258829723 573648889 /nfs/dbraw/zinc/64/88/89/573648889.db2.gz DFPVTQCCYAVEHO-NSHDSACASA-N 1 3 199.342 0.785 10 0 ACAEHO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2N)C1 258832839 573648924 /nfs/dbraw/zinc/64/89/24/573648924.db2.gz DICJHGHLRSRSMG-HBNTYKKESA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 258832839 573648931 /nfs/dbraw/zinc/64/89/31/573648931.db2.gz DICJHGHLRSRSMG-HBNTYKKESA-N 1 3 197.326 0.550 10 0 ACAEHO CC[C@@H](CNC)[C@@H](C)[NH2+]C 259150771 573648964 /nfs/dbraw/zinc/64/89/64/573648964.db2.gz ICHDFRVHBBKOJD-SFYZADRCSA-N 1 3 144.262 0.840 10 0 ACAEHO CC[C@@H](C[NH2+]C)[C@@H](C)NC 259150771 573648971 /nfs/dbraw/zinc/64/89/71/573648971.db2.gz ICHDFRVHBBKOJD-SFYZADRCSA-N 1 3 144.262 0.840 10 0 ACAEHO CC(C)C[C@@H]([C@H](O)CN)[NH+](C)C 259539743 573648975 /nfs/dbraw/zinc/64/89/75/573648975.db2.gz NRMPTLUSPHQPMB-DTWKUNHWSA-N 1 3 174.288 0.282 10 0 ACAEHO CC(C)C[C@@H]([C@H](O)C[NH3+])N(C)C 259539743 573648982 /nfs/dbraw/zinc/64/89/82/573648982.db2.gz NRMPTLUSPHQPMB-DTWKUNHWSA-N 1 3 174.288 0.282 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@@]2(C)NCCO2)C1 258833638 573649086 /nfs/dbraw/zinc/64/90/86/573649086.db2.gz ZFWZCMRFWUMCNW-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@@]2(C)NCCO2)C1 258833638 573649092 /nfs/dbraw/zinc/64/90/92/573649092.db2.gz ZFWZCMRFWUMCNW-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H](NCC1(O)CCC1)C1C[NH2+]C1 686248154 573651555 /nfs/dbraw/zinc/65/15/55/573651555.db2.gz JFRXXBSYFDDKTI-QMMMGPOBSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@H]([NH2+]CC1(O)CCC1)C1CNC1 686248154 573651564 /nfs/dbraw/zinc/65/15/64/573651564.db2.gz JFRXXBSYFDDKTI-QMMMGPOBSA-N 1 3 184.283 0.099 10 0 ACAEHO CCn1nc(CN)c2c1C[N@H+](C)CC2 257839837 573651652 /nfs/dbraw/zinc/65/16/52/573651652.db2.gz LTUUUGQDCSZJGQ-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO CCn1nc(CN)c2c1C[N@@H+](C)CC2 257839837 573651656 /nfs/dbraw/zinc/65/16/56/573651656.db2.gz LTUUUGQDCSZJGQ-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO C[C@@H](NC[C@@H]([NH3+])CN)c1ccccc1 258839179 573651766 /nfs/dbraw/zinc/65/17/66/573651766.db2.gz AKBRPCFKTNLDIY-KOLCDFICSA-N 1 3 193.294 0.623 10 0 ACAEHO C[C@H](CCC[NH3+])NCc1ccncn1 308658083 573651879 /nfs/dbraw/zinc/65/18/79/573651879.db2.gz OKERBRKGHVZAEO-SECBINFHSA-N 1 3 194.282 0.694 10 0 ACAEHO C[NH2+]CC1(C(=O)[C@@H]2CCN(C)C2)CC1 259151511 573651892 /nfs/dbraw/zinc/65/18/92/573651892.db2.gz LBKPOGKLUJSBQP-SECBINFHSA-N 1 3 196.294 0.507 10 0 ACAEHO C[C@@H](NC[C@H]([NH3+])CN)c1ccccc1 258839221 573651939 /nfs/dbraw/zinc/65/19/39/573651939.db2.gz AKBRPCFKTNLDIY-MWLCHTKSSA-N 1 3 193.294 0.623 10 0 ACAEHO C1C[C@H]([NH2+]CCC2CCOCC2)CN1 258842879 573652085 /nfs/dbraw/zinc/65/20/85/573652085.db2.gz DVAULJUUIGOLKT-NSHDSACASA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@H](C[C@H]1CN(C)CCN1)[NH+](C)C 259543409 573652193 /nfs/dbraw/zinc/65/21/93/573652193.db2.gz NWUQWGVSWPSVSU-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+]CC1(C(=O)[C@H]2CCN(C)C2)CC1 259151517 573653597 /nfs/dbraw/zinc/65/35/97/573653597.db2.gz LBKPOGKLUJSBQP-VIFPVBQESA-N 1 3 196.294 0.507 10 0 ACAEHO C[C@@H](N1CCN(C)CC1)C(C)(C)C[NH3+] 257842013 573653600 /nfs/dbraw/zinc/65/36/00/573653600.db2.gz BYUDLBHLFGUOTN-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)[NH2+]C[C@@]1(F)CCNC1 258508561 573653618 /nfs/dbraw/zinc/65/36/18/573653618.db2.gz LBSSTDZEHSCWNG-MRVPVSSYSA-N 1 3 160.236 0.686 10 0 ACAEHO CC[NH2+]CCC1(N)CCC1 86853907 573653476 /nfs/dbraw/zinc/65/34/76/573653476.db2.gz UTRHJAJYJQFCEK-UHFFFAOYSA-N 1 3 142.246 0.867 10 0 ACAEHO CCNCCC1([NH3+])CCC1 86853907 573653479 /nfs/dbraw/zinc/65/34/79/573653479.db2.gz UTRHJAJYJQFCEK-UHFFFAOYSA-N 1 3 142.246 0.867 10 0 ACAEHO C[C@H]([NH2+]CCC1(CO)CC1)C1CNC1 686248092 573654742 /nfs/dbraw/zinc/65/47/42/573654742.db2.gz HXQWZSFHXWZRBW-VIFPVBQESA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@H](NCCC1(CO)CC1)C1C[NH2+]C1 686248092 573654749 /nfs/dbraw/zinc/65/47/49/573654749.db2.gz HXQWZSFHXWZRBW-VIFPVBQESA-N 1 3 198.310 0.347 10 0 ACAEHO C[NH+]1CCC2(CC1)C[C@@H](F)CN2 258083066 573654774 /nfs/dbraw/zinc/65/47/74/573654774.db2.gz MMMFIOJVLWWLMH-MRVPVSSYSA-N 1 3 172.247 0.782 10 0 ACAEHO CN1CCC2(CC1)C[C@@H](F)C[NH2+]2 258083066 573654780 /nfs/dbraw/zinc/65/47/80/573654780.db2.gz MMMFIOJVLWWLMH-MRVPVSSYSA-N 1 3 172.247 0.782 10 0 ACAEHO CC(C)CC[NH2+]CC1CNC1 258843850 573655136 /nfs/dbraw/zinc/65/51/36/573655136.db2.gz XBTPIPKSKXPKMO-UHFFFAOYSA-N 1 3 156.273 0.842 10 0 ACAEHO CSC[C@H](C)N[C@H](C)C1C[NH2+]C1 686248034 573655244 /nfs/dbraw/zinc/65/52/44/573655244.db2.gz GCMJXKLSFBWHCK-JGVFFNPUSA-N 1 3 188.340 0.935 10 0 ACAEHO CSC[C@H](C)[NH2+][C@H](C)C1CNC1 686248034 573655250 /nfs/dbraw/zinc/65/52/50/573655250.db2.gz GCMJXKLSFBWHCK-JGVFFNPUSA-N 1 3 188.340 0.935 10 0 ACAEHO NCc1csc(C[C@@H]2CCC[NH2+]2)n1 258082456 573657901 /nfs/dbraw/zinc/65/79/01/573657901.db2.gz MMCBMZGDHSRLQS-ZETCQYMHSA-N 1 3 197.307 0.896 10 0 ACAEHO C[C@@H]1CO[C@H](C[C@@H]2CC[N@H+](C)C2)N1 258849800 573657225 /nfs/dbraw/zinc/65/72/25/573657225.db2.gz ZWWKGZSSBIIXEL-KXUCPTDWSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CO[C@H](C[C@@H]2CC[N@@H+](C)C2)N1 258849800 573657229 /nfs/dbraw/zinc/65/72/29/573657229.db2.gz ZWWKGZSSBIIXEL-KXUCPTDWSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CO[C@@H](C[C@H]2CC[N@H+](C)C2)N1 258849794 573657399 /nfs/dbraw/zinc/65/73/99/573657399.db2.gz ZWWKGZSSBIIXEL-BBBLOLIVSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CO[C@@H](C[C@H]2CC[N@@H+](C)C2)N1 258849794 573657403 /nfs/dbraw/zinc/65/74/03/573657403.db2.gz ZWWKGZSSBIIXEL-BBBLOLIVSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@H]([NH3+])CCNCCc1cccnc1 258846160 573657532 /nfs/dbraw/zinc/65/75/32/573657532.db2.gz WUFRTQVSAYJZRR-JTQLQIEISA-N 1 3 193.294 0.951 10 0 ACAEHO C[C@H](N)CC[NH2+]CCc1cccnc1 258846160 573657537 /nfs/dbraw/zinc/65/75/37/573657537.db2.gz WUFRTQVSAYJZRR-JTQLQIEISA-N 1 3 193.294 0.951 10 0 ACAEHO C[C@@H]([NH3+])Cc1cnc([C@H]2CCCN2)o1 258082426 573657574 /nfs/dbraw/zinc/65/75/74/573657574.db2.gz MLQXJJLUDZBCFB-VXNVDRBHSA-N 1 3 195.266 0.989 10 0 ACAEHO CC(C)[NH2+]C[C@]1(F)CCNC1 258508572 573657582 /nfs/dbraw/zinc/65/75/82/573657582.db2.gz LBSSTDZEHSCWNG-QMMMGPOBSA-N 1 3 160.236 0.686 10 0 ACAEHO CN(CN)CC[C@@H]1CC[N@H+](C)C1 258850325 573657640 /nfs/dbraw/zinc/65/76/40/573657640.db2.gz IYXJEMOGUUUFAK-VIFPVBQESA-N 1 3 171.288 0.176 10 0 ACAEHO CN(CN)CC[C@@H]1CC[N@@H+](C)C1 258850325 573657643 /nfs/dbraw/zinc/65/76/43/573657643.db2.gz IYXJEMOGUUUFAK-VIFPVBQESA-N 1 3 171.288 0.176 10 0 ACAEHO CN[C@H](C[NH2+]C1CC1)C(C)C 259544713 573657660 /nfs/dbraw/zinc/65/76/60/573657660.db2.gz VLMCRADUOVGXLJ-SECBINFHSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@H]([NH3+])CCNCCc1cccnc1 258846164 573658851 /nfs/dbraw/zinc/65/88/51/573658851.db2.gz WUFRTQVSAYJZRR-SNVBAGLBSA-N 1 3 193.294 0.951 10 0 ACAEHO C[C@@H](N)CC[NH2+]CCc1cccnc1 258846164 573658859 /nfs/dbraw/zinc/65/88/59/573658859.db2.gz WUFRTQVSAYJZRR-SNVBAGLBSA-N 1 3 193.294 0.951 10 0 ACAEHO CSCCC[NH2+][C@H](C)C1CNC1 686248326 573658894 /nfs/dbraw/zinc/65/88/94/573658894.db2.gz KCMDAVKTHWSVON-MRVPVSSYSA-N 1 3 188.340 0.937 10 0 ACAEHO C[C@H]([NH3+])Cc1cnc([C@@H]2CCCN2)o1 258082422 573658895 /nfs/dbraw/zinc/65/88/95/573658895.db2.gz MLQXJJLUDZBCFB-CBAPKCEASA-N 1 3 195.266 0.989 10 0 ACAEHO CSCCCN[C@H](C)C1C[NH2+]C1 686248326 573658901 /nfs/dbraw/zinc/65/89/01/573658901.db2.gz KCMDAVKTHWSVON-MRVPVSSYSA-N 1 3 188.340 0.937 10 0 ACAEHO CCN1CCC[C@@H]1N1CCC[NH2+]CC1 258081096 573658913 /nfs/dbraw/zinc/65/89/13/573658913.db2.gz JSVQPXNQDOQIFS-NSHDSACASA-N 1 3 197.326 0.724 10 0 ACAEHO CCN1CCN(C(C)(C)CC[NH3+])CC1 258849346 573658118 /nfs/dbraw/zinc/65/81/18/573658118.db2.gz BEGMLMQSRNTXJE-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CNCNCC(C)(C)[C@@H]1CC[N@H+](C)C1 258851249 573658237 /nfs/dbraw/zinc/65/82/37/573658237.db2.gz DMHWCORCHINLFI-SNVBAGLBSA-N 1 3 199.342 0.731 10 0 ACAEHO CNCNCC(C)(C)[C@@H]1CC[N@@H+](C)C1 258851249 573658244 /nfs/dbraw/zinc/65/82/44/573658244.db2.gz DMHWCORCHINLFI-SNVBAGLBSA-N 1 3 199.342 0.731 10 0 ACAEHO C[NH2+]CCCN[C@H]1CCCN(C)C1 258852715 573658307 /nfs/dbraw/zinc/65/83/07/573658307.db2.gz XRPPTFHINGCYON-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO C[C@H](N[C@@H]1CC[C@@H](C)OC1)C1C[NH2+]C1 686248530 573658341 /nfs/dbraw/zinc/65/83/41/573658341.db2.gz PLEOFKASRSLNLV-WCABBAIRSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)OC1)C1CNC1 686248530 573658348 /nfs/dbraw/zinc/65/83/48/573658348.db2.gz PLEOFKASRSLNLV-WCABBAIRSA-N 1 3 198.310 0.751 10 0 ACAEHO C[NH2+]Cc1cnc(N)n1C(C)C 258083688 573658400 /nfs/dbraw/zinc/65/84/00/573658400.db2.gz HPUUTUIBGONQAK-UHFFFAOYSA-N 1 3 168.244 0.766 10 0 ACAEHO CNCc1c[nH+]c(N)n1C(C)C 258083688 573658406 /nfs/dbraw/zinc/65/84/06/573658406.db2.gz HPUUTUIBGONQAK-UHFFFAOYSA-N 1 3 168.244 0.766 10 0 ACAEHO C[C@H]([NH3+])Cc1cnc([C@H]2CCCN2)o1 258082424 573658445 /nfs/dbraw/zinc/65/84/45/573658445.db2.gz MLQXJJLUDZBCFB-IONNQARKSA-N 1 3 195.266 0.989 10 0 ACAEHO CCN1CCC[C@H]1N1CCC[NH2+]CC1 258081093 573658648 /nfs/dbraw/zinc/65/86/48/573658648.db2.gz JSVQPXNQDOQIFS-LLVKDONJSA-N 1 3 197.326 0.724 10 0 ACAEHO CC1(C)CCC[C@@]1(N)C[NH3+] 86865641 573658723 /nfs/dbraw/zinc/65/87/23/573658723.db2.gz UWILAUXFXSUAHC-MRVPVSSYSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@H]1OCC[C@H]1C[NH2+]C1CC(N)C1 235626302 573658741 /nfs/dbraw/zinc/65/87/41/573658741.db2.gz HOMLHGSNWUISQK-XHHQTKHESA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]1OCC[C@H]1CNC1CC([NH3+])C1 235626302 573658750 /nfs/dbraw/zinc/65/87/50/573658750.db2.gz HOMLHGSNWUISQK-XHHQTKHESA-N 1 3 184.283 0.491 10 0 ACAEHO CCC[C@@H]([NH3+])C1(CN)COC1 259617683 573658755 /nfs/dbraw/zinc/65/87/55/573658755.db2.gz XSFROBBRAXXEMC-SSDOTTSWSA-N 1 3 158.245 0.089 10 0 ACAEHO CN1CCC[C@H]([C@]2(C)[NH2+]CCO2)C1 258846840 573659036 /nfs/dbraw/zinc/65/90/36/573659036.db2.gz ZUQOWRXFJRGHRT-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO CN1CCC[C@H](C(=O)[C@H]2CC[NH2+]C2)C1 259153817 573659068 /nfs/dbraw/zinc/65/90/68/573659068.db2.gz LEBIBBSOJDRCMM-UWVGGRQHSA-N 1 3 196.294 0.507 10 0 ACAEHO CSCCC[NH2+][C@@H](C)C1CNC1 686248327 573659087 /nfs/dbraw/zinc/65/90/87/573659087.db2.gz KCMDAVKTHWSVON-QMMMGPOBSA-N 1 3 188.340 0.937 10 0 ACAEHO CSCCCN[C@@H](C)C1C[NH2+]C1 686248327 573659095 /nfs/dbraw/zinc/65/90/95/573659095.db2.gz KCMDAVKTHWSVON-QMMMGPOBSA-N 1 3 188.340 0.937 10 0 ACAEHO C[C@@H]([NH3+])Cc1cnc([C@@H]2CCCN2)o1 258082420 573659097 /nfs/dbraw/zinc/65/90/97/573659097.db2.gz MLQXJJLUDZBCFB-APPZFPTMSA-N 1 3 195.266 0.989 10 0 ACAEHO C[C@H](N[C@H]1CC[C@@H](C)OC1)C1C[NH2+]C1 686248534 573659218 /nfs/dbraw/zinc/65/92/18/573659218.db2.gz PLEOFKASRSLNLV-YWVKMMECSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+][C@H]1CC[C@@H](C)OC1)C1CNC1 686248534 573659223 /nfs/dbraw/zinc/65/92/23/573659223.db2.gz PLEOFKASRSLNLV-YWVKMMECSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1CC[C@H](N[C@H](C)C2C[NH2+]C2)CO1 686248527 573659419 /nfs/dbraw/zinc/65/94/19/573659419.db2.gz PLEOFKASRSLNLV-KKZNHRDASA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1CC[C@H]([NH2+][C@H](C)C2CNC2)CO1 686248527 573659423 /nfs/dbraw/zinc/65/94/23/573659423.db2.gz PLEOFKASRSLNLV-KKZNHRDASA-N 1 3 198.310 0.751 10 0 ACAEHO [NH3+]CCC(=O)CN1CCCC1 107832092 573659435 /nfs/dbraw/zinc/65/94/35/573659435.db2.gz PMIAEADXFMHRAV-UHFFFAOYSA-N 1 3 156.229 0.000 10 0 ACAEHO C[C@@H]1CC[C@@H](N[C@H](C)C2C[NH2+]C2)CO1 686248524 573659651 /nfs/dbraw/zinc/65/96/51/573659651.db2.gz PLEOFKASRSLNLV-FXPVBKGRSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]([NH3+])c1ccnn1[C@H]1CCN(C)C1 257843299 573659653 /nfs/dbraw/zinc/65/96/53/573659653.db2.gz MWQDMUFLWXXICZ-BDAKNGLRSA-N 1 3 194.282 0.779 10 0 ACAEHO C[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CNC2)CO1 686248524 573659658 /nfs/dbraw/zinc/65/96/58/573659658.db2.gz PLEOFKASRSLNLV-FXPVBKGRSA-N 1 3 198.310 0.751 10 0 ACAEHO CC(C)(N)[C@]1(F)CC[NH2+]C1 258509095 573659677 /nfs/dbraw/zinc/65/96/77/573659677.db2.gz LDKUGSMXCVSTNU-ZETCQYMHSA-N 1 3 146.209 0.425 10 0 ACAEHO CC(C)([NH3+])[C@]1(F)CCNC1 258509095 573659682 /nfs/dbraw/zinc/65/96/82/573659682.db2.gz LDKUGSMXCVSTNU-ZETCQYMHSA-N 1 3 146.209 0.425 10 0 ACAEHO CCN1C[C@@H]([NH3+])CC1(C)C 258853909 573659707 /nfs/dbraw/zinc/65/97/07/573659707.db2.gz QUIFIILGAWNXOK-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO CN1CCC[C@@H](C(=O)[C@@H]2CC[NH2+]C2)C1 259153814 573662615 /nfs/dbraw/zinc/66/26/15/573662615.db2.gz LEBIBBSOJDRCMM-NXEZZACHSA-N 1 3 196.294 0.507 10 0 ACAEHO CCOCCN[C@@H](C)CC[NH2+]C 323205386 573662924 /nfs/dbraw/zinc/66/29/24/573662924.db2.gz HLRHJNYBNCCONL-VIFPVBQESA-N 1 3 174.288 0.611 10 0 ACAEHO CC1(C)CCC[C@]1(N)C[NH3+] 86865640 573663029 /nfs/dbraw/zinc/66/30/29/573663029.db2.gz UWILAUXFXSUAHC-QMMMGPOBSA-N 1 3 142.246 0.853 10 0 ACAEHO CN1CCC([NH2+]CCNC2CC2)CC1 258859010 573663197 /nfs/dbraw/zinc/66/31/97/573663197.db2.gz IMQPUXOZBZBBGU-UHFFFAOYSA-N 1 3 197.326 0.422 10 0 ACAEHO C[N@@H+]1CCC[C@H](CCNCN)C1 258859309 573663369 /nfs/dbraw/zinc/66/33/69/573663369.db2.gz JTSRUJLXTIZEEU-SECBINFHSA-N 1 3 171.288 0.224 10 0 ACAEHO C[N@H+]1CCC[C@H](CCNCN)C1 258859309 573663371 /nfs/dbraw/zinc/66/33/71/573663371.db2.gz JTSRUJLXTIZEEU-SECBINFHSA-N 1 3 171.288 0.224 10 0 ACAEHO Cn1nc(C[C@H]2CC[NH2+]C2)cc1CN 258413479 573665276 /nfs/dbraw/zinc/66/52/76/573665276.db2.gz DGBSDPRDBGDSAN-MRVPVSSYSA-N 1 3 194.282 0.031 10 0 ACAEHO CN1CCC[C@H](C(=O)C2CC([NH3+])C2)C1 259153878 573665434 /nfs/dbraw/zinc/66/54/34/573665434.db2.gz LFJDCNFGKCDGDQ-IDKOKCKLSA-N 1 3 196.294 0.635 10 0 ACAEHO Cc1ccc(CC[NH2+]C[C@H](O)CN)o1 258862096 573665679 /nfs/dbraw/zinc/66/56/79/573665679.db2.gz FNBGBPSUZMXLPM-SECBINFHSA-N 1 3 198.266 0.040 10 0 ACAEHO NCCC[NH2+]CCc1cc[nH]c1 258857419 573665727 /nfs/dbraw/zinc/66/57/27/573665727.db2.gz YFDLLDRAYWRVDS-UHFFFAOYSA-N 1 3 167.256 0.496 10 0 ACAEHO [NH3+]CCCNCCc1cc[nH]c1 258857419 573665732 /nfs/dbraw/zinc/66/57/32/573665732.db2.gz YFDLLDRAYWRVDS-UHFFFAOYSA-N 1 3 167.256 0.496 10 0 ACAEHO CN1CC[C@@H]([NH2+]C(C)(C)CN)C1 258859679 573667031 /nfs/dbraw/zinc/66/70/31/573667031.db2.gz OKTPJMJRMIYGER-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO CN1CC[C@@H](NC(C)(C)C[NH3+])C1 258859679 573667038 /nfs/dbraw/zinc/66/70/38/573667038.db2.gz OKTPJMJRMIYGER-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO COC(=O)C(C)(C)CN[C@H](C)C[NH3+] 393546686 573667089 /nfs/dbraw/zinc/66/70/89/573667089.db2.gz MAFKTLBMAYBNOV-SSDOTTSWSA-N 1 3 188.271 0.122 10 0 ACAEHO Cc1ccc(CC[NH2+]C[C@@H](O)CN)o1 258862099 573667126 /nfs/dbraw/zinc/66/71/26/573667126.db2.gz FNBGBPSUZMXLPM-VIFPVBQESA-N 1 3 198.266 0.040 10 0 ACAEHO CO[C@@H](C[NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308662024 573667152 /nfs/dbraw/zinc/66/71/52/573667152.db2.gz QOFBXYFIIGCSRS-UKKRHICBSA-N 1 3 198.310 0.738 10 0 ACAEHO CC(C)(CNCC[NH3+])c1ccncc1 258855896 573667182 /nfs/dbraw/zinc/66/71/82/573667182.db2.gz YAZIPCGWKWPWAB-UHFFFAOYSA-N 1 3 193.294 0.908 10 0 ACAEHO CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 258862227 573667247 /nfs/dbraw/zinc/66/72/47/573667247.db2.gz FOSQAZKLIBPWGJ-LPEHRKFASA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 258862227 573667251 /nfs/dbraw/zinc/66/72/51/573667251.db2.gz FOSQAZKLIBPWGJ-LPEHRKFASA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CCC[C@@H](C(=O)C2CC([NH3+])C2)C1 259153881 573667887 /nfs/dbraw/zinc/66/78/87/573667887.db2.gz LFJDCNFGKCDGDQ-XNWIYYODSA-N 1 3 196.294 0.635 10 0 ACAEHO C[C@@H](C1CNC1)[NH+]1CCCC1 258629610 573668104 /nfs/dbraw/zinc/66/81/04/573668104.db2.gz XQZBAPZHCJPQGL-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H](C1C[NH2+]C1)N1CCCC1 258629610 573668111 /nfs/dbraw/zinc/66/81/11/573668111.db2.gz XQZBAPZHCJPQGL-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@H]([NH2+]C(C)(C)CN)C1 258859680 573668255 /nfs/dbraw/zinc/66/82/55/573668255.db2.gz OKTPJMJRMIYGER-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO CN1CC[C@H](NC(C)(C)C[NH3+])C1 258859680 573668258 /nfs/dbraw/zinc/66/82/58/573668258.db2.gz OKTPJMJRMIYGER-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[N@@H+]1CCC[C@@H](CCNCN)C1 258859313 573668430 /nfs/dbraw/zinc/66/84/30/573668430.db2.gz JTSRUJLXTIZEEU-VIFPVBQESA-N 1 3 171.288 0.224 10 0 ACAEHO C[N@H+]1CCC[C@@H](CCNCN)C1 258859313 573668437 /nfs/dbraw/zinc/66/84/37/573668437.db2.gz JTSRUJLXTIZEEU-VIFPVBQESA-N 1 3 171.288 0.224 10 0 ACAEHO CC(C)CN(C)CC1(C[NH3+])COC1 258871845 573675561 /nfs/dbraw/zinc/67/55/61/573675561.db2.gz BJWSCGPNOOEKPD-UHFFFAOYSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H]1CN(CCCO)CC[C@@H]1[NH3+] 86886494 573676057 /nfs/dbraw/zinc/67/60/57/573676057.db2.gz FCFKZWAYMJWTPJ-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CNc1cc(NCC[NH3+])nc(C)n1 258873330 573676068 /nfs/dbraw/zinc/67/60/68/573676068.db2.gz DCWXVSZYKWCWJU-UHFFFAOYSA-N 1 3 181.243 0.197 10 0 ACAEHO [NH3+]C1(CNC2CC2)CC1 83836947 573676147 /nfs/dbraw/zinc/67/61/47/573676147.db2.gz HQZAXYWPEKLEPT-UHFFFAOYSA-N 1 3 126.203 0.230 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCC[C@@H]2O)CC[C@@H]1[NH3+] 86886863 573676169 /nfs/dbraw/zinc/67/61/69/573676169.db2.gz VDVOYJQQEZWWFI-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO CC(C)N1CCN(CC2([NH3+])CC2)CC1 83836851 573678611 /nfs/dbraw/zinc/67/86/11/573678611.db2.gz PCHFXLUAMAAGDM-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1CN(CCCO)CC[C@@H]1[NH3+] 86886497 573678693 /nfs/dbraw/zinc/67/86/93/573678693.db2.gz FCFKZWAYMJWTPJ-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[NH2+][C@H](CCN)C1CCC1 259548233 573678694 /nfs/dbraw/zinc/67/86/94/573678694.db2.gz UKWSEOXVQFIVJJ-MRVPVSSYSA-N 1 3 142.246 0.723 10 0 ACAEHO C[NH2+][C@@H](CCN)C1CCC1 259548236 573678705 /nfs/dbraw/zinc/67/87/05/573678705.db2.gz UKWSEOXVQFIVJJ-QMMMGPOBSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H](CNC1CC[NH2+]CC1)OC 308413017 573678751 /nfs/dbraw/zinc/67/87/51/573678751.db2.gz PJOZEQQBHYQAPW-SNVBAGLBSA-N 1 3 186.299 0.753 10 0 ACAEHO CC[C@H](C[NH2+]C1CCNCC1)OC 308413017 573678758 /nfs/dbraw/zinc/67/87/58/573678758.db2.gz PJOZEQQBHYQAPW-SNVBAGLBSA-N 1 3 186.299 0.753 10 0 ACAEHO c1cc(CCNCC2C[NH2+]C2)ccn1 258875226 573678845 /nfs/dbraw/zinc/67/88/45/573678845.db2.gz JXFRAXQKBVLELX-UHFFFAOYSA-N 1 3 191.278 0.433 10 0 ACAEHO c1cc(CC[NH2+]CC2CNC2)ccn1 258875226 573678854 /nfs/dbraw/zinc/67/88/54/573678854.db2.gz JXFRAXQKBVLELX-UHFFFAOYSA-N 1 3 191.278 0.433 10 0 ACAEHO C[C@@H]1CCN(CC2([NH3+])CC2)C1 83836985 573679055 /nfs/dbraw/zinc/67/90/55/573679055.db2.gz CJFDLNJGWOCOQM-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CN1CCCN(CC2([NH3+])CC2)CC1 83836669 573681560 /nfs/dbraw/zinc/68/15/60/573681560.db2.gz MSFBNRSPCZLFPM-UHFFFAOYSA-N 1 3 183.299 0.115 10 0 ACAEHO NCCC[NH2+]CC1CCC1 83838652 573681876 /nfs/dbraw/zinc/68/18/76/573681876.db2.gz CKARBBFILXIPDN-UHFFFAOYSA-N 1 3 142.246 0.725 10 0 ACAEHO C[C@@H]([NH3+])CC1(N(C)C)CC1 259158889 573687944 /nfs/dbraw/zinc/68/79/44/573687944.db2.gz HJVNELFQLYFQPI-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@H](C1C[NH2+]C1)N1CC(N(C)C)C1 716100553 573687288 /nfs/dbraw/zinc/68/72/88/573687288.db2.gz BUMOVBFHOYVXGM-LLVKDONJSA-N 1 3 197.326 0.230 10 0 ACAEHO C[NH2+][C@@H](C1CCN(C)CC1)[C@@H](C)O 259157976 573687414 /nfs/dbraw/zinc/68/74/14/573687414.db2.gz GDGNOIPXIZVVGY-PSASIEDQSA-N 1 3 186.299 0.297 10 0 ACAEHO CC1CC([NH2+][C@H](C)C2CNC2)C1 686249503 573687595 /nfs/dbraw/zinc/68/75/95/573687595.db2.gz JFDGYAKWSLPSDJ-CCNFQMFXSA-N 1 3 168.284 0.982 10 0 ACAEHO CC1CC(N[C@H](C)C2C[NH2+]C2)C1 686249503 573687602 /nfs/dbraw/zinc/68/76/02/573687602.db2.gz JFDGYAKWSLPSDJ-CCNFQMFXSA-N 1 3 168.284 0.982 10 0 ACAEHO CC(C)[NH2+]CCN(C)[C@H]1CCN(C)C1 258883267 573690516 /nfs/dbraw/zinc/69/05/16/573690516.db2.gz KOWJMBRNWNLYDG-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO C[N@@H+]1CCC[C@H](C[C@@H]2CNCCO2)C1 259163679 573690944 /nfs/dbraw/zinc/69/09/44/573690944.db2.gz OZABUAIAEGLQOW-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@H](C[C@@H]2CNCCO2)C1 259163679 573690948 /nfs/dbraw/zinc/69/09/48/573690948.db2.gz OZABUAIAEGLQOW-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H](NCC1(O)CCC1)[C@@H]1CC[NH2+]C1 400398741 573691118 /nfs/dbraw/zinc/69/11/18/573691118.db2.gz JZWOKSOGKXRLSO-NXEZZACHSA-N 1 3 198.310 0.489 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C[C@@H]2CNCCO2)C1 259163696 573691861 /nfs/dbraw/zinc/69/18/61/573691861.db2.gz OZABUAIAEGLQOW-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@@H](C[C@@H]2CNCCO2)C1 259163696 573691866 /nfs/dbraw/zinc/69/18/66/573691866.db2.gz OZABUAIAEGLQOW-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO OC([C@@H]1CCCCN1)[C@@H]1CCCC[NH2+]1 236483789 573691910 /nfs/dbraw/zinc/69/19/10/573691910.db2.gz UMVGBJYZTKNUDI-UWVGGRQHSA-N 1 3 198.310 0.632 10 0 ACAEHO OC([C@H]1CCCCN1)[C@H]1CCCC[NH2+]1 236483835 573692127 /nfs/dbraw/zinc/69/21/27/573692127.db2.gz UMVGBJYZTKNUDI-NXEZZACHSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H](NCC1(O)CCC1)[C@H]1CC[NH2+]C1 400398745 573692456 /nfs/dbraw/zinc/69/24/56/573692456.db2.gz JZWOKSOGKXRLSO-ZJUUUORDSA-N 1 3 198.310 0.489 10 0 ACAEHO CCC[C@H](N)C1C[NH2+]C1 259160263 573693000 /nfs/dbraw/zinc/69/30/00/573693000.db2.gz DMIUBYDLBZSCOK-ZETCQYMHSA-N 1 3 128.219 0.333 10 0 ACAEHO CN1CCC[NH+]=C1N[C@H]1CCCNC1 258085033 573693072 /nfs/dbraw/zinc/69/30/72/573693072.db2.gz MPUGJHYMWDQBIF-VIFPVBQESA-N 1 3 196.298 0.020 10 0 ACAEHO C[NH2+]CCC(=O)[C@H]1CCN(C)C1 259163853 573693362 /nfs/dbraw/zinc/69/33/62/573693362.db2.gz LWHMZYNQCNSXFF-QMMMGPOBSA-N 1 3 170.256 0.117 10 0 ACAEHO CN1CCC(CN)([NH2+]C2CCC2)CC1 257851136 573695038 /nfs/dbraw/zinc/69/50/38/573695038.db2.gz OXHWHASUQUJVSS-UHFFFAOYSA-N 1 3 197.326 0.552 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@H]2CCC[NH2+]C2)C1 259160895 573695047 /nfs/dbraw/zinc/69/50/47/573695047.db2.gz LPMGXAIEIKOWPC-VHSXEESVSA-N 1 3 196.294 0.507 10 0 ACAEHO CC[C@@H]1C[C@H]1N[C@@H](C)C1C[NH2+]C1 686249400 573695071 /nfs/dbraw/zinc/69/50/71/573695071.db2.gz DQPQIZKWEOTOBR-QXFUBDJGSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]1CCC[C@@](CO)(NCC[NH3+])C1 393588889 573695072 /nfs/dbraw/zinc/69/50/72/573695072.db2.gz IAPJJINWWQJIFU-VHSXEESVSA-N 1 3 186.299 0.476 10 0 ACAEHO CC[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CNC1 686249400 573695073 /nfs/dbraw/zinc/69/50/73/573695073.db2.gz DQPQIZKWEOTOBR-QXFUBDJGSA-N 1 3 168.284 0.982 10 0 ACAEHO CCCCC[N@@H+]1CCN(C)[C@@H](CN)C1 259170513 573695127 /nfs/dbraw/zinc/69/51/27/573695127.db2.gz GSNNMZYRSARTOK-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCCCC[N@H+]1CCN(C)[C@@H](CN)C1 259170513 573695133 /nfs/dbraw/zinc/69/51/33/573695133.db2.gz GSNNMZYRSARTOK-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CC)[C@@]1(CN)C[C@H](C)[N@H+](C)C1 126834976 573694572 /nfs/dbraw/zinc/69/45/72/573694572.db2.gz JRKFHWMCFWYGOH-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC)[C@@]1(CN)C[C@H](C)[N@@H+](C)C1 126834976 573694576 /nfs/dbraw/zinc/69/45/76/573694576.db2.gz JRKFHWMCFWYGOH-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C1CC[NH+]([C@@]23CCNC[C@@H]2C3)C1 237992642 573694654 /nfs/dbraw/zinc/69/46/54/573694654.db2.gz VFEQMUWNDNZZNE-VHSXEESVSA-N 1 3 166.268 0.834 10 0 ACAEHO C1CCN([C@@]23CC[NH2+]C[C@@H]2C3)C1 237992642 573694658 /nfs/dbraw/zinc/69/46/58/573694658.db2.gz VFEQMUWNDNZZNE-VHSXEESVSA-N 1 3 166.268 0.834 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@@H]2CCC[NH2+]C2)C1 259160890 573694668 /nfs/dbraw/zinc/69/46/68/573694668.db2.gz LPMGXAIEIKOWPC-NXEZZACHSA-N 1 3 196.294 0.507 10 0 ACAEHO CC(C)[NH2+]CC(=O)[C@H]1CCN(C)C1 259170443 573694754 /nfs/dbraw/zinc/69/47/54/573694754.db2.gz MJIWSZGEFFNHAY-VIFPVBQESA-N 1 3 184.283 0.505 10 0 ACAEHO C1CC[NH+]([C@]23CCNC[C@H]2C3)C1 237992883 573694789 /nfs/dbraw/zinc/69/47/89/573694789.db2.gz VFEQMUWNDNZZNE-ZJUUUORDSA-N 1 3 166.268 0.834 10 0 ACAEHO C1CCN([C@]23CC[NH2+]C[C@H]2C3)C1 237992883 573694795 /nfs/dbraw/zinc/69/47/95/573694795.db2.gz VFEQMUWNDNZZNE-ZJUUUORDSA-N 1 3 166.268 0.834 10 0 ACAEHO C[NH2+]CCCC(=O)[C@H]1CCN(C)C1 259170407 573694852 /nfs/dbraw/zinc/69/48/52/573694852.db2.gz MJEBHTFULSCWHU-VIFPVBQESA-N 1 3 184.283 0.507 10 0 ACAEHO CN1CC[C@H](C(=O)[C@@H]2CCC[NH2+]C2)C1 259160898 573694924 /nfs/dbraw/zinc/69/49/24/573694924.db2.gz LPMGXAIEIKOWPC-ZJUUUORDSA-N 1 3 196.294 0.507 10 0 ACAEHO CN1CC[C@H](C(=O)[C@H]2CCC[NH2+]C2)C1 259160892 573694999 /nfs/dbraw/zinc/69/49/99/573694999.db2.gz LPMGXAIEIKOWPC-UWVGGRQHSA-N 1 3 196.294 0.507 10 0 ACAEHO c1cc(N2CC3(C[NH2+]C3)C2)ccn1 237993348 573695003 /nfs/dbraw/zinc/69/50/03/573695003.db2.gz QVZINOBIJGALRG-UHFFFAOYSA-N 1 3 175.235 0.491 10 0 ACAEHO CCNC(=[NH2+])N1CCN2CCC[C@@H]2C1 86932847 573696782 /nfs/dbraw/zinc/69/67/82/573696782.db2.gz QJIXJSXJJQBCLT-SECBINFHSA-N 1 3 196.298 0.311 10 0 ACAEHO [NH3+]C[C@H]1[C@H](CN2CCC2)C1(F)F 715172299 573696859 /nfs/dbraw/zinc/69/68/59/573696859.db2.gz APNKHZYTIWOKPV-BQBZGAKWSA-N 1 3 176.210 0.532 10 0 ACAEHO C[NH2+][C@@H](C1CCOCC1)[C@H](C)CN 259171727 573696283 /nfs/dbraw/zinc/69/62/83/573696283.db2.gz CIFRMEMPHFEGSK-PSASIEDQSA-N 1 3 186.299 0.596 10 0 ACAEHO [NH3+]C[C@@H]1[C@@H](CN2CCC2)C1(F)F 715172301 573696292 /nfs/dbraw/zinc/69/62/92/573696292.db2.gz APNKHZYTIWOKPV-RNFRBKRXSA-N 1 3 176.210 0.532 10 0 ACAEHO C[NH2+][C@H](C1CCOCC1)[C@@H](C)CN 259171735 573696527 /nfs/dbraw/zinc/69/65/27/573696527.db2.gz CIFRMEMPHFEGSK-WPRPVWTQSA-N 1 3 186.299 0.596 10 0 ACAEHO CN1CC[NH2+][C@@H]([C@@H](N)C2CCC2)C1 259171758 573696707 /nfs/dbraw/zinc/69/67/07/573696707.db2.gz CIRBYGOQPKTOBX-ZJUUUORDSA-N 1 3 183.299 0.017 10 0 ACAEHO C[C@@H](C[NH3+])N1CCN2CCCC[C@@H]2C1 86929758 573696753 /nfs/dbraw/zinc/69/67/53/573696753.db2.gz QXHPVJIYVUDRQO-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H](CCO)NCC(C)(C)[NH3+] 393646687 573702469 /nfs/dbraw/zinc/70/24/69/573702469.db2.gz IPGFETYQYIUVRA-SSDOTTSWSA-N 1 3 160.261 0.084 10 0 ACAEHO CCN[C@@]1(C[NH3+])CS[C@H](C)C1 86936780 573702935 /nfs/dbraw/zinc/70/29/35/573702935.db2.gz HRUWMDSWGCMJKO-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1C[C@@](CN)([NH+](C)C)CS1 86936579 573703562 /nfs/dbraw/zinc/70/35/62/573703562.db2.gz OBBPEATWKDTELD-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H]1C[C@H](NCC[NH3+])CS1 86935248 573703724 /nfs/dbraw/zinc/70/37/24/573703724.db2.gz XWZVFGWEJRKVBG-RQJHMYQMSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@@H]1C[C@@](CN)([NH+](C)C)CS1 86936578 573703886 /nfs/dbraw/zinc/70/38/86/573703886.db2.gz OBBPEATWKDTELD-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]CCCN)CS1 86935253 573703964 /nfs/dbraw/zinc/70/39/64/573703964.db2.gz UHPHUWTWBUSOAV-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1C[C@H](NCCC[NH3+])CS1 86935253 573703971 /nfs/dbraw/zinc/70/39/71/573703971.db2.gz UHPHUWTWBUSOAV-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1C[C@H]([N@H+](C)CCN)CS1 86937577 573704017 /nfs/dbraw/zinc/70/40/17/573704017.db2.gz FBNDDXIOKXAXRV-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@H]1C[C@H]([N@@H+](C)CCN)CS1 86937577 573704019 /nfs/dbraw/zinc/70/40/19/573704019.db2.gz FBNDDXIOKXAXRV-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO CN[C@@H](C)C1=CCC[NH2+]C1 258088759 573704132 /nfs/dbraw/zinc/70/41/32/573704132.db2.gz NHHIYCBZASUBNN-ZETCQYMHSA-N 1 3 140.230 0.514 10 0 ACAEHO C[NH2+][C@@H](C)C1=CCCNC1 258088759 573704135 /nfs/dbraw/zinc/70/41/35/573704135.db2.gz NHHIYCBZASUBNN-ZETCQYMHSA-N 1 3 140.230 0.514 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+](C)CCN)CS1 86937578 573704155 /nfs/dbraw/zinc/70/41/55/573704155.db2.gz FBNDDXIOKXAXRV-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+](C)CCN)CS1 86937578 573704159 /nfs/dbraw/zinc/70/41/59/573704159.db2.gz FBNDDXIOKXAXRV-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO CCCN(C)[C@@]1(CN)C[C@H](C)[N@H+](C)C1 126871339 573706387 /nfs/dbraw/zinc/70/63/87/573706387.db2.gz KHBLVMCSCJIJMH-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN(C)[C@@]1(CN)C[C@H](C)[N@@H+](C)C1 126871339 573706391 /nfs/dbraw/zinc/70/63/91/573706391.db2.gz KHBLVMCSCJIJMH-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CN[C@@]1(C[NH3+])CS[C@H](C)C1 86936774 573706411 /nfs/dbraw/zinc/70/64/11/573706411.db2.gz UNMXDHHUJHQKNM-RQJHMYQMSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@@H]1SCCC[C@H]1NCC[NH3+] 86943852 573710725 /nfs/dbraw/zinc/71/07/25/573710725.db2.gz GNEDVQASANPQKF-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1SCCC[C@H]1NCC[NH3+] 86943850 573710969 /nfs/dbraw/zinc/71/09/69/573710969.db2.gz GNEDVQASANPQKF-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO CN[C@]1(C[NH3+])CCCS[C@H]1C 86946232 573711162 /nfs/dbraw/zinc/71/11/62/573711162.db2.gz KUGDSIYGDNFOCK-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO C[NH+](C)CC[C@@H](F)CN 108280640 573713335 /nfs/dbraw/zinc/71/33/35/573713335.db2.gz LMSIPSMASJXMKB-ZCFIWIBFSA-N 1 3 134.198 0.235 10 0 ACAEHO C[NH+](C)CC[C@H](F)CN 108280636 573713385 /nfs/dbraw/zinc/71/33/85/573713385.db2.gz LMSIPSMASJXMKB-LURJTMIESA-N 1 3 134.198 0.235 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCC1 108280284 573713463 /nfs/dbraw/zinc/71/34/63/573713463.db2.gz OHZSTJMOROQXKT-SSDOTTSWSA-N 1 3 128.219 0.429 10 0 ACAEHO C[C@H](N[C@H](C)C1(CO)CC1)C1C[NH2+]C1 686254960 573713468 /nfs/dbraw/zinc/71/34/68/573713468.db2.gz YIAIIIXNPLPYIK-DTWKUNHWSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+][C@H](C)C1(CO)CC1)C1CNC1 686254960 573713473 /nfs/dbraw/zinc/71/34/73/573713473.db2.gz YIAIIIXNPLPYIK-DTWKUNHWSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@]1(C[NH3+])CCNC[C@H]1F 238492337 573713592 /nfs/dbraw/zinc/71/35/92/573713592.db2.gz RQNZBDRXQKJZBG-RQJHMYQMSA-N 1 3 146.209 0.283 10 0 ACAEHO CC(C)[NH2+]C[C@@H](O)CCN1CCC1 393554630 573713913 /nfs/dbraw/zinc/71/39/13/573713913.db2.gz ZXWQTMRKZJRFFA-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CC(C)(C[NH3+])CN1CCC1 108281324 573718807 /nfs/dbraw/zinc/71/88/07/573718807.db2.gz CVUMZVNFSHSGLE-UHFFFAOYSA-N 1 3 142.246 0.677 10 0 ACAEHO CC(C)(CN)C[NH+]1CCC1 108281324 573718817 /nfs/dbraw/zinc/71/88/17/573718817.db2.gz CVUMZVNFSHSGLE-UHFFFAOYSA-N 1 3 142.246 0.677 10 0 ACAEHO C[C@H]1OCC[C@H]1[N@@H+]1CCCNCC1 122296335 573718952 /nfs/dbraw/zinc/71/89/52/573718952.db2.gz IGAHFWFYJBEMSX-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]1OCC[C@H]1[N@H+]1CCCNCC1 122296335 573718957 /nfs/dbraw/zinc/71/89/57/573718957.db2.gz IGAHFWFYJBEMSX-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CCC2)C1 108281034 573719011 /nfs/dbraw/zinc/71/90/11/573719011.db2.gz RXBSFSVINGNCTM-YUMQZZPRSA-N 1 3 140.230 0.572 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N2CCC2)C1 108281032 573719041 /nfs/dbraw/zinc/71/90/41/573719041.db2.gz RXBSFSVINGNCTM-JGVFFNPUSA-N 1 3 140.230 0.572 10 0 ACAEHO CN1CCC[C@H](NCC[NH2+]C2CC2)C1 258891807 573720943 /nfs/dbraw/zinc/72/09/43/573720943.db2.gz LIKQKUZEQZGRAL-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](N2CCC2)C1 108282874 573720944 /nfs/dbraw/zinc/72/09/44/573720944.db2.gz JGCAYHGXJHAICT-DTWKUNHWSA-N 1 3 154.257 0.962 10 0 ACAEHO CN1CCC[C@@H](NCC[NH2+]C2CC2)C1 258891804 573721017 /nfs/dbraw/zinc/72/10/17/573721017.db2.gz LIKQKUZEQZGRAL-LLVKDONJSA-N 1 3 197.326 0.422 10 0 ACAEHO c1cc2c(c(OC3C[NH2+]C3)c1)CNC2 258105994 573723391 /nfs/dbraw/zinc/72/33/91/573723391.db2.gz SHNCNUQWDDHZJI-UHFFFAOYSA-N 1 3 190.246 0.640 10 0 ACAEHO CC1CN([C@H]2CC[C@H]([NH3+])C2)C1 108282907 573723640 /nfs/dbraw/zinc/72/36/40/573723640.db2.gz STRPZFTUJYIJPQ-IUCAKERBSA-N 1 3 154.257 0.818 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1N1CCC1 108282939 573723681 /nfs/dbraw/zinc/72/36/81/573723681.db2.gz OAAKCDHSHAQFBB-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH+]1CCC1 108282939 573723685 /nfs/dbraw/zinc/72/36/85/573723685.db2.gz OAAKCDHSHAQFBB-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO CCN(C1=[NH+]CCN1)[C@H]1CCCNC1 124960999 573723851 /nfs/dbraw/zinc/72/38/51/573723851.db2.gz JEXWNVKWMCZTAE-VIFPVBQESA-N 1 3 196.298 0.020 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CCC1 108282937 573723887 /nfs/dbraw/zinc/72/38/87/573723887.db2.gz OAAKCDHSHAQFBB-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCC1 108282937 573723892 /nfs/dbraw/zinc/72/38/92/573723892.db2.gz OAAKCDHSHAQFBB-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO C[NH2+]CCCN1C[C@H]2C[C@H]2C1 108282976 573724045 /nfs/dbraw/zinc/72/40/45/573724045.db2.gz XFYPMSZXLZUZQK-DTORHVGOSA-N 1 3 154.257 0.548 10 0 ACAEHO CNCCC[N@H+]1C[C@H]2C[C@H]2C1 108282976 573724050 /nfs/dbraw/zinc/72/40/50/573724050.db2.gz XFYPMSZXLZUZQK-DTORHVGOSA-N 1 3 154.257 0.548 10 0 ACAEHO CNCCC[N@@H+]1C[C@H]2C[C@H]2C1 108282976 573724052 /nfs/dbraw/zinc/72/40/52/573724052.db2.gz XFYPMSZXLZUZQK-DTORHVGOSA-N 1 3 154.257 0.548 10 0 ACAEHO CC1CN([C@H]2CC[C@@H]([NH3+])C2)C1 108282912 573725124 /nfs/dbraw/zinc/72/51/24/573725124.db2.gz STRPZFTUJYIJPQ-BDAKNGLRSA-N 1 3 154.257 0.818 10 0 ACAEHO Cc1cc(N[C@H]2CC[NH2+]C2)nc(N)n1 238485641 573725162 /nfs/dbraw/zinc/72/51/62/573725162.db2.gz YFGSLIYYAMLEOL-ZETCQYMHSA-N 1 3 193.254 0.141 10 0 ACAEHO CC1CN([C@@H]2CC[C@@H]([NH3+])C2)C1 108282909 573725375 /nfs/dbraw/zinc/72/53/75/573725375.db2.gz STRPZFTUJYIJPQ-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO N[C@H]1CCCC[C@H]1[NH+]1CCC1 108282923 573725495 /nfs/dbraw/zinc/72/54/95/573725495.db2.gz DQXYPYVWWCRBHO-DTWKUNHWSA-N 1 3 154.257 0.962 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@H]1N(C)C 108283808 573725517 /nfs/dbraw/zinc/72/55/17/573725517.db2.gz BBPLDYUQQRHYIU-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]([NH3+])Cc1noc(CCN(C)C)n1 258106117 573727857 /nfs/dbraw/zinc/72/78/57/573727857.db2.gz SKXIJUOQDHAWTK-SSDOTTSWSA-N 1 3 198.270 0.063 10 0 ACAEHO CCC1=[NH+][C@@H]2CCNC[C@@H]2N1 258107925 573727978 /nfs/dbraw/zinc/72/79/78/573727978.db2.gz VLKBHJHWJJQFRB-RQJHMYQMSA-N 1 3 153.229 0.129 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCCO 126940278 573728054 /nfs/dbraw/zinc/72/80/54/573728054.db2.gz GZVBKHBFRSUWOV-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCCO 126940278 573728059 /nfs/dbraw/zinc/72/80/59/573728059.db2.gz GZVBKHBFRSUWOV-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO COC[C@H](C)[C@H](C)N1CC[C@H]([NH3+])C1 393556560 573728136 /nfs/dbraw/zinc/72/81/36/573728136.db2.gz OYZUHZZARAKUOR-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO CC[NH2+]Cc1cnc(N)n1CC 258108082 573728175 /nfs/dbraw/zinc/72/81/75/573728175.db2.gz IUYWJMUMJLTYCL-UHFFFAOYSA-N 1 3 168.244 0.595 10 0 ACAEHO CCNCc1c[nH+]c(N)n1CC 258108082 573728180 /nfs/dbraw/zinc/72/81/80/573728180.db2.gz IUYWJMUMJLTYCL-UHFFFAOYSA-N 1 3 168.244 0.595 10 0 ACAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC/C=C/CO 717547190 573730598 /nfs/dbraw/zinc/73/05/98/573730598.db2.gz JYNONXUPPUVQET-YHROSDCASA-N 1 3 198.310 0.465 10 0 ACAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC/C=C/CO 717547190 573730604 /nfs/dbraw/zinc/73/06/04/573730604.db2.gz JYNONXUPPUVQET-YHROSDCASA-N 1 3 198.310 0.465 10 0 ACAEHO C[C@H]([NH3+])c1cnn([C@H]2CCN(C)C2)c1 257851925 573730755 /nfs/dbraw/zinc/73/07/55/573730755.db2.gz PEZZDDUNQOUTHN-WPRPVWTQSA-N 1 3 194.282 0.779 10 0 ACAEHO CC(C)NCC1=CCC[NH2+]C1 257860048 573734904 /nfs/dbraw/zinc/73/49/04/573734904.db2.gz BHAXZOKLORQRIO-UHFFFAOYSA-N 1 3 154.257 0.904 10 0 ACAEHO CC(C)[NH2+]CC1=CCCNC1 257860048 573734909 /nfs/dbraw/zinc/73/49/09/573734909.db2.gz BHAXZOKLORQRIO-UHFFFAOYSA-N 1 3 154.257 0.904 10 0 ACAEHO C[C@@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 715006879 573735445 /nfs/dbraw/zinc/73/54/45/573735445.db2.gz LBURTEIUYLNHOK-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCC[C@H]2CNCC[C@H]21 715006879 573735451 /nfs/dbraw/zinc/73/54/51/573735451.db2.gz LBURTEIUYLNHOK-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCC[C@H]2CNCC[C@H]21 715006879 573735456 /nfs/dbraw/zinc/73/54/56/573735456.db2.gz LBURTEIUYLNHOK-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO [NH3+]C[C@H]1CC[C@@H](CN2CC=CCC2)O1 124981129 573735476 /nfs/dbraw/zinc/73/54/76/573735476.db2.gz BNXXKCNKRHZYFU-MNOVXSKESA-N 1 3 196.294 0.755 10 0 ACAEHO CC(C)[C@@H]1CNC[C@@H](C)NCC[NH2+]1 223428076 573736080 /nfs/dbraw/zinc/73/60/80/573736080.db2.gz UEVCEPSTYGZGBM-ZJUUUORDSA-N 1 3 185.315 0.182 10 0 ACAEHO CC(C)[C@@H]1C[NH2+]C[C@@H](C)NCCN1 223428076 573736087 /nfs/dbraw/zinc/73/60/87/573736087.db2.gz UEVCEPSTYGZGBM-ZJUUUORDSA-N 1 3 185.315 0.182 10 0 ACAEHO CC(C)[C@@H]1CNC[C@H](C)NCC[NH2+]1 223428135 573736121 /nfs/dbraw/zinc/73/61/21/573736121.db2.gz UEVCEPSTYGZGBM-UWVGGRQHSA-N 1 3 185.315 0.182 10 0 ACAEHO CC(C)[C@@H]1C[NH2+]C[C@H](C)NCCN1 223428135 573736127 /nfs/dbraw/zinc/73/61/27/573736127.db2.gz UEVCEPSTYGZGBM-UWVGGRQHSA-N 1 3 185.315 0.182 10 0 ACAEHO NC[C@]1(F)CC[NH+]2CCC1CC2 108290062 573736148 /nfs/dbraw/zinc/73/61/48/573736148.db2.gz WFDDBIFXNFBIQS-SECBINFHSA-N 1 3 172.247 0.769 10 0 ACAEHO CC(C)[C@H]1CNC[C@H](C)NCC[NH2+]1 223428022 573736150 /nfs/dbraw/zinc/73/61/50/573736150.db2.gz UEVCEPSTYGZGBM-VHSXEESVSA-N 1 3 185.315 0.182 10 0 ACAEHO CC(C)[C@H]1C[NH2+]C[C@H](C)NCCN1 223428022 573736153 /nfs/dbraw/zinc/73/61/53/573736153.db2.gz UEVCEPSTYGZGBM-VHSXEESVSA-N 1 3 185.315 0.182 10 0 ACAEHO C[C@H]([NH3+])Cc1coc(CCN(C)C)n1 258113260 573736223 /nfs/dbraw/zinc/73/62/23/573736223.db2.gz OGISTGQDOGMXGP-QMMMGPOBSA-N 1 3 197.282 0.668 10 0 ACAEHO C[C@@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 715006863 573736374 /nfs/dbraw/zinc/73/63/74/573736374.db2.gz LBURTEIUYLNHOK-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 715006863 573736381 /nfs/dbraw/zinc/73/63/81/573736381.db2.gz LBURTEIUYLNHOK-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCC[C@@H]2CNCC[C@@H]21 715006863 573736388 /nfs/dbraw/zinc/73/63/88/573736388.db2.gz LBURTEIUYLNHOK-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO CC(C)C1=[NH+][C@H]2CCNC[C@@H]2N1 258114764 573736557 /nfs/dbraw/zinc/73/65/57/573736557.db2.gz VVSIWCAQCRSKGO-YUMQZZPRSA-N 1 3 167.256 0.375 10 0 ACAEHO CC[C@H]([NH3+])C[C@@H]1CN(C)CCN1 259619841 573738296 /nfs/dbraw/zinc/73/82/96/573738296.db2.gz XWCNPEJFIFDNKW-DTWKUNHWSA-N 1 3 171.288 0.017 10 0 ACAEHO [NH3+]CCN1CCCN(C2CC2)CC1 108296332 573738354 /nfs/dbraw/zinc/73/83/54/573738354.db2.gz PMWZZTVQTCJYIS-UHFFFAOYSA-N 1 3 183.299 0.115 10 0 ACAEHO O[C@H]1CC[NH2+]C[C@@H]1CN1CCCCC1 257858927 573738680 /nfs/dbraw/zinc/73/86/80/573738680.db2.gz OHGLZZCWRAFREY-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)C[C@@H](C)OC 393559715 573738868 /nfs/dbraw/zinc/73/88/68/573738868.db2.gz YCCXYYOLROCMBJ-ZJUUUORDSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[C@@H](C1C[NH2+]C1)N1CCC[C@H](O)C1 716144241 573738914 /nfs/dbraw/zinc/73/89/14/573738914.db2.gz LPRQURMUTDRYAE-QWRGUYRKSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@@H](C1CNC1)[N@@H+]1CCC[C@H](O)C1 716144241 573738918 /nfs/dbraw/zinc/73/89/18/573738918.db2.gz LPRQURMUTDRYAE-QWRGUYRKSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@@H](C1CNC1)[N@H+]1CCC[C@H](O)C1 716144241 573738924 /nfs/dbraw/zinc/73/89/24/573738924.db2.gz LPRQURMUTDRYAE-QWRGUYRKSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)C[C@H](C)OC 393559712 573738942 /nfs/dbraw/zinc/73/89/42/573738942.db2.gz YCCXYYOLROCMBJ-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@@H](N)c1coc([C@@H]2CC[NH2+]C2)n1 258115408 573742732 /nfs/dbraw/zinc/74/27/32/573742732.db2.gz OHCLOCFPCJJZOY-RNFRBKRXSA-N 1 3 181.239 0.771 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCO 126915258 573742746 /nfs/dbraw/zinc/74/27/46/573742746.db2.gz URPPKUJQZMVPLD-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCO 126915258 573742750 /nfs/dbraw/zinc/74/27/50/573742750.db2.gz URPPKUJQZMVPLD-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]([NH2+]CC1CCC1)C1CNC1 686250296 573742764 /nfs/dbraw/zinc/74/27/64/573742764.db2.gz XYBQXAMSXLNRFR-QMMMGPOBSA-N 1 3 168.284 0.984 10 0 ACAEHO COC[C@@H](C)N[C@H](C)C1C[NH2+]C1 686250300 573742828 /nfs/dbraw/zinc/74/28/28/573742828.db2.gz YDXINXJOHLBURA-HTQZYQBOSA-N 1 3 172.272 0.219 10 0 ACAEHO COC[C@@H](C)[NH2+][C@H](C)C1CNC1 686250300 573742832 /nfs/dbraw/zinc/74/28/32/573742832.db2.gz YDXINXJOHLBURA-HTQZYQBOSA-N 1 3 172.272 0.219 10 0 ACAEHO CC[C@H](O)C[N@@H+]1C[C@H](CN)C[C@@H]1C 126911625 573743015 /nfs/dbraw/zinc/74/30/15/573743015.db2.gz ASXITOKOGLYSRB-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@H](O)C[N@H+]1C[C@H](CN)C[C@@H]1C 126911625 573743024 /nfs/dbraw/zinc/74/30/24/573743024.db2.gz ASXITOKOGLYSRB-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](N)c1coc([C@H]2CC[NH2+]C2)n1 258115410 573743089 /nfs/dbraw/zinc/74/30/89/573743089.db2.gz OHCLOCFPCJJZOY-RQJHMYQMSA-N 1 3 181.239 0.771 10 0 ACAEHO Cc1cccc(C(=N)NC(N)=[NH2+])c1 238500785 573745826 /nfs/dbraw/zinc/74/58/26/573745826.db2.gz RNYXZYRNFPPWED-UHFFFAOYSA-N 1 3 176.223 0.803 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]CCN1CCCCC1 308700753 573745226 /nfs/dbraw/zinc/74/52/26/573745226.db2.gz UVENQKMIKKKJGG-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCCN1CCCCC1 308700753 573745231 /nfs/dbraw/zinc/74/52/31/573745231.db2.gz UVENQKMIKKKJGG-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO CCN1CCCN(C[C@@H](C)[NH3+])CC1 108298500 573745541 /nfs/dbraw/zinc/74/55/41/573745541.db2.gz GASPXMCXXVNZIL-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CCN1CCCCC1 308700756 573745666 /nfs/dbraw/zinc/74/56/66/573745666.db2.gz UVENQKMIKKKJGG-WDEREUQCSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCN1CCCCC1 308700756 573745670 /nfs/dbraw/zinc/74/56/70/573745670.db2.gz UVENQKMIKKKJGG-WDEREUQCSA-N 1 3 199.342 0.798 10 0 ACAEHO CNCNCCC1CC[NH+](C)CC1 258902480 573747745 /nfs/dbraw/zinc/74/77/45/573747745.db2.gz OITWQTYNUPSXME-UHFFFAOYSA-N 1 3 185.315 0.485 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+](CCCO)C1 87041612 573747066 /nfs/dbraw/zinc/74/70/66/573747066.db2.gz RWZOHMOFNZYUIW-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+](CCCO)C1 87041612 573747069 /nfs/dbraw/zinc/74/70/69/573747069.db2.gz RWZOHMOFNZYUIW-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CN(CCN(C)C)C1 87042516 573747152 /nfs/dbraw/zinc/74/71/52/573747152.db2.gz KPICAWDJWRSRCV-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+](CC(C)(C)O)C1 87042728 573747511 /nfs/dbraw/zinc/74/75/11/573747511.db2.gz AKNHDVYCNAYGSR-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+](CC(C)(C)O)C1 87042728 573747515 /nfs/dbraw/zinc/74/75/15/573747515.db2.gz AKNHDVYCNAYGSR-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+](CC(C)(C)O)C1 87042730 573747598 /nfs/dbraw/zinc/74/75/98/573747598.db2.gz AKNHDVYCNAYGSR-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+](CC(C)(C)O)C1 87042730 573747605 /nfs/dbraw/zinc/74/76/05/573747605.db2.gz AKNHDVYCNAYGSR-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO CN(Cc1ccccc1)C[C@@H]([NH3+])CN 258901511 573747691 /nfs/dbraw/zinc/74/76/91/573747691.db2.gz GOXAWXMARVAPNL-NSHDSACASA-N 1 3 193.294 0.404 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]C[C@H]1CCCCN1C 308704218 573750008 /nfs/dbraw/zinc/75/00/08/573750008.db2.gz WDOKBXREPBKRGT-HBNTYKKESA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NC[C@H]1CCCCN1C 308704218 573750013 /nfs/dbraw/zinc/75/00/13/573750013.db2.gz WDOKBXREPBKRGT-HBNTYKKESA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@@H]([NH2+]CCCCF)C1CNC1 686250347 573750034 /nfs/dbraw/zinc/75/00/34/573750034.db2.gz YITMRVXAWHSPCG-MRVPVSSYSA-N 1 3 174.263 0.934 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+](CC(C)(C)O)C1 87042726 573750173 /nfs/dbraw/zinc/75/01/73/573750173.db2.gz AKNHDVYCNAYGSR-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+](CC(C)(C)O)C1 87042726 573750178 /nfs/dbraw/zinc/75/01/78/573750178.db2.gz AKNHDVYCNAYGSR-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+](CCCO)C1 87041615 573750203 /nfs/dbraw/zinc/75/02/03/573750203.db2.gz RWZOHMOFNZYUIW-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+](CCCO)C1 87041615 573750209 /nfs/dbraw/zinc/75/02/09/573750209.db2.gz RWZOHMOFNZYUIW-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@H](O)[C@H](C)N[C@@H](C)C1C[NH2+]C1 686250159 573750237 /nfs/dbraw/zinc/75/02/37/573750237.db2.gz WHUPOYLBLYJURC-NRPADANISA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@H](O)[C@H](C)[NH2+][C@@H](C)C1CNC1 686250159 573750242 /nfs/dbraw/zinc/75/02/42/573750242.db2.gz WHUPOYLBLYJURC-NRPADANISA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@@H]2CCCOC2)C1 87039649 573750431 /nfs/dbraw/zinc/75/04/31/573750431.db2.gz IETUFVGYIJEUTK-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@@H]2CCCOC2)C1 87039649 573750436 /nfs/dbraw/zinc/75/04/36/573750436.db2.gz IETUFVGYIJEUTK-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@H](O)[C@@H](C)N[C@@H](C)C1C[NH2+]C1 686250162 573750492 /nfs/dbraw/zinc/75/04/92/573750492.db2.gz WHUPOYLBLYJURC-XKSSXDPKSA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@H](O)[C@@H](C)[NH2+][C@@H](C)C1CNC1 686250162 573750497 /nfs/dbraw/zinc/75/04/97/573750497.db2.gz WHUPOYLBLYJURC-XKSSXDPKSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CN(CCN(C)C)C1 87042518 573750597 /nfs/dbraw/zinc/75/05/97/573750597.db2.gz KPICAWDJWRSRCV-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+](C[C@@H](C)O)C1 87042381 573750648 /nfs/dbraw/zinc/75/06/48/573750648.db2.gz XYTNXGHAWKZPPE-DJLDLDEBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+](C[C@@H](C)O)C1 87042381 573750653 /nfs/dbraw/zinc/75/06/53/573750653.db2.gz XYTNXGHAWKZPPE-DJLDLDEBSA-N 1 3 172.272 0.036 10 0 ACAEHO Cc1nc(CC[NH2+][C@H](C)[C@H](C)N)no1 308706071 573754130 /nfs/dbraw/zinc/75/41/30/573754130.db2.gz WVDLQRZWEUGGOF-NKWVEPMBSA-N 1 3 198.270 0.246 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCCCN1C 308704216 573753349 /nfs/dbraw/zinc/75/33/49/573753349.db2.gz WDOKBXREPBKRGT-DCAQKATOSA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NC[C@@H]1CCCCN1C 308704216 573753352 /nfs/dbraw/zinc/75/33/52/573753352.db2.gz WDOKBXREPBKRGT-DCAQKATOSA-N 1 3 199.342 0.796 10 0 ACAEHO CN(C)CCN1CCCC[C@H](C[NH3+])C1 308707596 573753373 /nfs/dbraw/zinc/75/33/73/573753373.db2.gz XILZBLMPYGNFPP-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO COCC[N@@H+]1CC[C@@H](CN)C1(C)C 259175871 573753477 /nfs/dbraw/zinc/75/34/77/573753477.db2.gz AVAYGYYFMDMXLK-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO COCC[N@H+]1CC[C@@H](CN)C1(C)C 259175871 573753481 /nfs/dbraw/zinc/75/34/81/573753481.db2.gz AVAYGYYFMDMXLK-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C(C)(C)CNCCN(C)C1CC1 308707136 573753803 /nfs/dbraw/zinc/75/38/03/573753803.db2.gz XBWSDCSLGAEVHZ-UHFFFAOYSA-N 1 3 199.342 0.668 10 0 ACAEHO Cc1nc(CC[NH2+][C@@H](C)[C@@H](C)N)no1 308706080 573753828 /nfs/dbraw/zinc/75/38/28/573753828.db2.gz WVDLQRZWEUGGOF-RQJHMYQMSA-N 1 3 198.270 0.246 10 0 ACAEHO CN(C)CCN1CCCC[C@@H](C[NH3+])C1 308707597 573753841 /nfs/dbraw/zinc/75/38/41/573753841.db2.gz XILZBLMPYGNFPP-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO Cc1nc(CC[NH3+])c2n1CCN(C)C2 258908025 573753966 /nfs/dbraw/zinc/75/39/66/573753966.db2.gz ZOIYJMPRDHHJLQ-UHFFFAOYSA-N 1 3 194.282 0.138 10 0 ACAEHO C[C@H](CN(C)C)N[C@@H]1CC[NH2+]C[C@H]1C 308697072 573760083 /nfs/dbraw/zinc/76/00/83/573760083.db2.gz TZLDAWPAPDFIEF-GMTAPVOTSA-N 1 3 199.342 0.524 10 0 ACAEHO CCC[N@H+](C)CC[C@@H]1CN(C)CCN1 258913493 573760138 /nfs/dbraw/zinc/76/01/38/573760138.db2.gz MMVWAFCQGOXTIS-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCC[N@@H+](C)CC[C@@H]1CN(C)CCN1 258913493 573760140 /nfs/dbraw/zinc/76/01/40/573760140.db2.gz MMVWAFCQGOXTIS-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N[C@H](C)CN(C)C 308697073 573760175 /nfs/dbraw/zinc/76/01/75/573760175.db2.gz TZLDAWPAPDFIEF-HBNTYKKESA-N 1 3 199.342 0.524 10 0 ACAEHO [NH3+][C@H]1C[C@@H](C2CC2)N(C2CC2)C1 108332212 573760460 /nfs/dbraw/zinc/76/04/60/573760460.db2.gz ONNJRZNCGHCTKI-WPRPVWTQSA-N 1 3 166.268 0.960 10 0 ACAEHO CN(CC1C[NH2+]C1)c1ccncc1 258909853 573760517 /nfs/dbraw/zinc/76/05/17/573760517.db2.gz NHIKLQBDRINCBV-UHFFFAOYSA-N 1 3 177.251 0.737 10 0 ACAEHO CN1CCC[C@H](NC(C)(C)CC[NH3+])C1 258918942 573763820 /nfs/dbraw/zinc/76/38/20/573763820.db2.gz UJERYBDTZSTLCX-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCN(C)C[C@H]1C 108339025 573767293 /nfs/dbraw/zinc/76/72/93/573767293.db2.gz KNAAATXBIJIMIZ-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO Cc1nccn1CC[NH2+][C@@H](C)[C@@H](C)N 308712172 573767652 /nfs/dbraw/zinc/76/76/52/573767652.db2.gz ZIGZTEOZGAOKLM-BDAKNGLRSA-N 1 3 196.298 0.517 10 0 ACAEHO Cc1nccn1CCN[C@@H](C)[C@@H](C)[NH3+] 308712172 573767659 /nfs/dbraw/zinc/76/76/59/573767659.db2.gz ZIGZTEOZGAOKLM-BDAKNGLRSA-N 1 3 196.298 0.517 10 0 ACAEHO CC(C)NCC[NH2+]CCn1ccnc1 308711744 573767746 /nfs/dbraw/zinc/76/77/46/573767746.db2.gz ZEWGVXFNEGNSGK-UHFFFAOYSA-N 1 3 196.298 0.471 10 0 ACAEHO C[C@@H]1CN(C)CCN1CC(C)(C)C[NH3+] 108347666 573770373 /nfs/dbraw/zinc/77/03/73/573770373.db2.gz RUAQJGGAUBULBW-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO CNCNCC[C@H]1CC[N@H+](C)C1 258933995 573770435 /nfs/dbraw/zinc/77/04/35/573770435.db2.gz SDJXKBFHNCSGIN-VIFPVBQESA-N 1 3 171.288 0.095 10 0 ACAEHO CN(C)C/C=C1\CC[NH2+]C1 259185097 573770440 /nfs/dbraw/zinc/77/04/40/573770440.db2.gz IMYSHOPNVPHOKE-XBXARRHUSA-N 1 3 140.230 0.468 10 0 ACAEHO CNCNCC[C@H]1CC[N@@H+](C)C1 258933995 573770441 /nfs/dbraw/zinc/77/04/41/573770441.db2.gz SDJXKBFHNCSGIN-VIFPVBQESA-N 1 3 171.288 0.095 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@H]1CCO 393589623 573770532 /nfs/dbraw/zinc/77/05/32/573770532.db2.gz KXBTYWCDLQFRLW-QMMMGPOBSA-N 1 3 185.271 0.159 10 0 ACAEHO c1cc(CCNCC2C[NH2+]C2)c[nH]1 258932626 573770556 /nfs/dbraw/zinc/77/05/56/573770556.db2.gz POTJTGRLMQQZDK-UHFFFAOYSA-N 1 3 179.267 0.366 10 0 ACAEHO c1cc(CC[NH2+]CC2CNC2)c[nH]1 258932626 573770561 /nfs/dbraw/zinc/77/05/61/573770561.db2.gz POTJTGRLMQQZDK-UHFFFAOYSA-N 1 3 179.267 0.366 10 0 ACAEHO CN(C)C/C=C1\CCC[NH2+]C1 259185004 573770570 /nfs/dbraw/zinc/77/05/70/573770570.db2.gz ILUVOZXLCJZZTR-WEVVVXLNSA-N 1 3 154.257 0.858 10 0 ACAEHO C[C@]([NH3+])(CO)c1ccc(CN)c(F)c1 238509093 573770832 /nfs/dbraw/zinc/77/08/32/573770832.db2.gz IIPWESOCQYIOIF-JTQLQIEISA-N 1 3 198.241 0.451 10 0 ACAEHO CCC[C@@H](C[NH3+])NCCn1ccnc1 308712166 573770925 /nfs/dbraw/zinc/77/09/25/573770925.db2.gz ZHYFFXAHHXIYOA-JTQLQIEISA-N 1 3 196.298 0.600 10 0 ACAEHO Cc1nccn1CC[NH2+][C@H](C)[C@H](C)N 308712173 573771026 /nfs/dbraw/zinc/77/10/26/573771026.db2.gz ZIGZTEOZGAOKLM-DTWKUNHWSA-N 1 3 196.298 0.517 10 0 ACAEHO Cc1nccn1CCN[C@H](C)[C@H](C)[NH3+] 308712173 573771030 /nfs/dbraw/zinc/77/10/30/573771030.db2.gz ZIGZTEOZGAOKLM-DTWKUNHWSA-N 1 3 196.298 0.517 10 0 ACAEHO C[C@H](CO)[N@@H+]1CCC[C@H]2CNCC[C@@H]21 715010507 573772491 /nfs/dbraw/zinc/77/24/91/573772491.db2.gz SFNFKPPWNKIWCX-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](CO)[N@H+]1CCC[C@H]2CNCC[C@@H]21 715010507 573772498 /nfs/dbraw/zinc/77/24/98/573772498.db2.gz SFNFKPPWNKIWCX-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](CO)N1CCC[C@H]2C[NH2+]CC[C@@H]21 715010507 573772503 /nfs/dbraw/zinc/77/25/03/573772503.db2.gz SFNFKPPWNKIWCX-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@@H]2NCCO2)C1 258128285 573772653 /nfs/dbraw/zinc/77/26/53/573772653.db2.gz NNCLWBPSRHCECB-DTWKUNHWSA-N 1 3 170.256 0.274 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@@H]2NCCO2)C1 258128285 573772660 /nfs/dbraw/zinc/77/26/60/573772660.db2.gz NNCLWBPSRHCECB-DTWKUNHWSA-N 1 3 170.256 0.274 10 0 ACAEHO C[C@H](N[C@H](C)C1C[NH2+]C1)C(C)(C)O 686250684 573772953 /nfs/dbraw/zinc/77/29/53/573772953.db2.gz BENNQCXQQIJQMF-SFYZADRCSA-N 1 3 186.299 0.343 10 0 ACAEHO C[NH2+]Cc1ccc(CN)[nH]1 108366144 573772955 /nfs/dbraw/zinc/77/29/55/573772955.db2.gz QKMMZGJJJPFQPH-UHFFFAOYSA-N 1 3 139.202 0.193 10 0 ACAEHO C[C@H]([NH2+][C@H](C)C1CNC1)C(C)(C)O 686250684 573772959 /nfs/dbraw/zinc/77/29/59/573772959.db2.gz BENNQCXQQIJQMF-SFYZADRCSA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@H](CN[C@@H](C)C1C[NH2+]C1)N(C)C 686250639 573773245 /nfs/dbraw/zinc/77/32/45/573773245.db2.gz IWOKXQJXDINNAQ-GXSJLCMTSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@@H](N[C@H](C)C(C)(C)O)C1C[NH2+]C1 686250682 573774223 /nfs/dbraw/zinc/77/42/23/573774223.db2.gz BENNQCXQQIJQMF-HTQZYQBOSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@@H]([NH2+][C@H](C)C(C)(C)O)C1CNC1 686250682 573774230 /nfs/dbraw/zinc/77/42/30/573774230.db2.gz BENNQCXQQIJQMF-HTQZYQBOSA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@@H](CN[C@H](C)C1C[NH2+]C1)N(C)C 686250640 573774569 /nfs/dbraw/zinc/77/45/69/573774569.db2.gz IWOKXQJXDINNAQ-KOLCDFICSA-N 1 3 199.342 0.524 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@@H]2NCCO2)C1 258128293 573774635 /nfs/dbraw/zinc/77/46/35/573774635.db2.gz NNCLWBPSRHCECB-RKDXNWHRSA-N 1 3 170.256 0.274 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@@H]2NCCO2)C1 258128293 573774640 /nfs/dbraw/zinc/77/46/40/573774640.db2.gz NNCLWBPSRHCECB-RKDXNWHRSA-N 1 3 170.256 0.274 10 0 ACAEHO CC[C@@H](CN[C@@H](C)C1C[NH2+]C1)N(C)C 686250642 573774719 /nfs/dbraw/zinc/77/47/19/573774719.db2.gz IWOKXQJXDINNAQ-ONGXEEELSA-N 1 3 199.342 0.524 10 0 ACAEHO NCc1cc(C[NH3+])cs1 108366223 573774731 /nfs/dbraw/zinc/77/47/31/573774731.db2.gz BBXRCNXHGRJCSX-UHFFFAOYSA-N 1 3 142.227 0.666 10 0 ACAEHO C[N@@H+]1CC[C@H](Cc2oncc2CN)C1 258422811 573774817 /nfs/dbraw/zinc/77/48/17/573774817.db2.gz DZRZGRWTNCLRFF-MRVPVSSYSA-N 1 3 195.266 0.628 10 0 ACAEHO C[N@H+]1CC[C@H](Cc2oncc2CN)C1 258422811 573774823 /nfs/dbraw/zinc/77/48/23/573774823.db2.gz DZRZGRWTNCLRFF-MRVPVSSYSA-N 1 3 195.266 0.628 10 0 ACAEHO COCCN(C[C@H](C)C[NH3+])C(C)C 131166063 573774835 /nfs/dbraw/zinc/77/48/35/573774835.db2.gz GKDQUTVFOYYOPI-SNVBAGLBSA-N 1 3 188.315 0.938 10 0 ACAEHO COCC[N@H+](C[C@H](C)CN)C(C)C 131166063 573774840 /nfs/dbraw/zinc/77/48/40/573774840.db2.gz GKDQUTVFOYYOPI-SNVBAGLBSA-N 1 3 188.315 0.938 10 0 ACAEHO COCC[N@@H+](C[C@H](C)CN)C(C)C 131166063 573774847 /nfs/dbraw/zinc/77/48/47/573774847.db2.gz GKDQUTVFOYYOPI-SNVBAGLBSA-N 1 3 188.315 0.938 10 0 ACAEHO CC(=O)C[NH2+]CC1CCN(C)CC1 258934217 573774931 /nfs/dbraw/zinc/77/49/31/573774931.db2.gz PIDWOGMXLSXZHK-UHFFFAOYSA-N 1 3 184.283 0.507 10 0 ACAEHO CC[C@H](CN[C@H](C)C1C[NH2+]C1)N(C)C 686250641 573774938 /nfs/dbraw/zinc/77/49/38/573774938.db2.gz IWOKXQJXDINNAQ-MWLCHTKSSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@@H](C[NH3+])CCCN1CCN(C)CC1 131162393 573776369 /nfs/dbraw/zinc/77/63/69/573776369.db2.gz GHFMVKZTPAXUSN-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO CC(C)[C@H](C[NH3+])N(C)[C@H]1CCN(C)C1 258941296 573776527 /nfs/dbraw/zinc/77/65/27/573776527.db2.gz WEGNTVNKWZLGEV-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H](CN)[N@H+](C)[C@H]1CCN(C)C1 258941296 573776531 /nfs/dbraw/zinc/77/65/31/573776531.db2.gz WEGNTVNKWZLGEV-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H](CN)[N@@H+](C)[C@H]1CCN(C)C1 258941296 573776537 /nfs/dbraw/zinc/77/65/37/573776537.db2.gz WEGNTVNKWZLGEV-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H](C[NH3+])N(C)[C@@H]1CCN(C)C1 258941295 573776893 /nfs/dbraw/zinc/77/68/93/573776893.db2.gz WEGNTVNKWZLGEV-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H](CN)[N@H+](C)[C@@H]1CCN(C)C1 258941295 573776899 /nfs/dbraw/zinc/77/68/99/573776899.db2.gz WEGNTVNKWZLGEV-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H](CN)[N@@H+](C)[C@@H]1CCN(C)C1 258941295 573776905 /nfs/dbraw/zinc/77/69/05/573776905.db2.gz WEGNTVNKWZLGEV-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@@H](C[NH3+])O[C@H]1CCN(C)C1 108367023 573777002 /nfs/dbraw/zinc/77/70/02/573777002.db2.gz TXGUNILWGGZGQM-YUMQZZPRSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[C@@H](NC1CC(OC)C1)C1C[NH2+]C1 716169825 573777069 /nfs/dbraw/zinc/77/70/69/573777069.db2.gz YLSIFBNJRIAFMY-VQXHTEKXSA-N 1 3 198.310 0.751 10 0 ACAEHO CC[C@@H]([NH2+]C1CC(OC)C1)C1CNC1 716169825 573777075 /nfs/dbraw/zinc/77/70/75/573777075.db2.gz YLSIFBNJRIAFMY-VQXHTEKXSA-N 1 3 198.310 0.751 10 0 ACAEHO COC[C@H]1C[C@@H](CN2CCCC2)C[NH2+]1 258118578 573779073 /nfs/dbraw/zinc/77/90/73/573779073.db2.gz IHLGACAOPRSIBZ-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO CC(C)n1c(N)nc2c1CC[C@H]([NH3+])C2 76122444 573778695 /nfs/dbraw/zinc/77/86/95/573778695.db2.gz SONAEBRGRWWGSB-ZETCQYMHSA-N 1 3 194.282 0.862 10 0 ACAEHO C[C@H]([NH3+])CO[C@H]1CCN(C)C1 108366956 573778833 /nfs/dbraw/zinc/77/88/33/573778833.db2.gz APJKVZPPOWLBNB-YUMQZZPRSA-N 1 3 158.245 0.054 10 0 ACAEHO C[C@@H](C[NH3+])O[C@@H]1CCN(C)C1 108367014 573778936 /nfs/dbraw/zinc/77/89/36/573778936.db2.gz TXGUNILWGGZGQM-JGVFFNPUSA-N 1 3 158.245 0.054 10 0 ACAEHO CN1CCN[C@@H](CC[NH2+]C2CCC2)C1 258938125 573781001 /nfs/dbraw/zinc/78/10/01/573781001.db2.gz PHAOIIJLCOHWIQ-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO C[NH2+]Cc1ccc(CN)s1 108366732 573781041 /nfs/dbraw/zinc/78/10/41/573781041.db2.gz GDYNXRLVTUFRGB-UHFFFAOYSA-N 1 3 156.254 0.926 10 0 ACAEHO CN1CC[C@H](NCC2(C[NH3+])CCC2)C1 258939949 573781286 /nfs/dbraw/zinc/78/12/86/573781286.db2.gz PPQYRTULHBATRJ-JTQLQIEISA-N 1 3 197.326 0.409 10 0 ACAEHO CN1CC[C@H]([NH2+]CC2(CN)CCC2)C1 258939949 573781290 /nfs/dbraw/zinc/78/12/90/573781290.db2.gz PPQYRTULHBATRJ-JTQLQIEISA-N 1 3 197.326 0.409 10 0 ACAEHO CC(C)n1c(N)nc2c1CC[C@@H]([NH3+])C2 76122442 573781322 /nfs/dbraw/zinc/78/13/22/573781322.db2.gz SONAEBRGRWWGSB-SSDOTTSWSA-N 1 3 194.282 0.862 10 0 ACAEHO NCc1ccc(CC[NH3+])s1 108366729 573781351 /nfs/dbraw/zinc/78/13/51/573781351.db2.gz AKTUAKHNHNNDQS-UHFFFAOYSA-N 1 3 156.254 0.708 10 0 ACAEHO C[NH2+]CC(C)(C)N(C)[C@H]1CCN(C)C1 258938025 573781373 /nfs/dbraw/zinc/78/13/73/573781373.db2.gz VXPFLCZOROHHIN-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C1CC(CCNCN2CC[NH2+]CC2)C1 258940056 573781662 /nfs/dbraw/zinc/78/16/62/573781662.db2.gz QDFOCUSMPZULNS-UHFFFAOYSA-N 1 3 197.326 0.629 10 0 ACAEHO [NH3+][C@H](C[C@H]1CNCCO1)c1ccc[nH]1 259568439 573786722 /nfs/dbraw/zinc/78/67/22/573786722.db2.gz VLXRFOZQINDHOH-DTWKUNHWSA-N 1 3 195.266 0.393 10 0 ACAEHO [NH3+][C@H](C[C@@H]1CNCCO1)c1ccc[nH]1 259568444 573786884 /nfs/dbraw/zinc/78/68/84/573786884.db2.gz VLXRFOZQINDHOH-RKDXNWHRSA-N 1 3 195.266 0.393 10 0 ACAEHO CCO[C@H](C)CN[C@@H](C)C1C[NH2+]C1 686244256 573792401 /nfs/dbraw/zinc/79/24/01/573792401.db2.gz FBWCJHUYUNEAKE-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO CCO[C@H](C)C[NH2+][C@@H](C)C1CNC1 686244256 573792409 /nfs/dbraw/zinc/79/24/09/573792409.db2.gz FBWCJHUYUNEAKE-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO c1coc([C@@H]2CNC[C@]23CC[NH2+]C3)c1 238120168 573792443 /nfs/dbraw/zinc/79/24/43/573792443.db2.gz RVCXJGVBBJAMKY-GXSJLCMTSA-N 1 3 192.262 0.946 10 0 ACAEHO CC[C@@H](C)N(CCO)C(C)(C)C[NH3+] 393589961 573792602 /nfs/dbraw/zinc/79/26/02/573792602.db2.gz LGSSKBYCXWIFEB-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO c1cc([C@@H]2CNC[C@]23CC[NH2+]C3)co1 238120201 573792756 /nfs/dbraw/zinc/79/27/56/573792756.db2.gz CKHHTWBFXKEFCU-WDEREUQCSA-N 1 3 192.262 0.946 10 0 ACAEHO c1coc([C@H]2CNC[C@]23CC[NH2+]C3)c1 238119936 573792964 /nfs/dbraw/zinc/79/29/64/573792964.db2.gz RVCXJGVBBJAMKY-MWLCHTKSSA-N 1 3 192.262 0.946 10 0 ACAEHO CNCc1cnn([C@@H]2CCC[NH2+]C2)c1 257878188 573793635 /nfs/dbraw/zinc/79/36/35/573793635.db2.gz UYHVPXJRERODSO-SNVBAGLBSA-N 1 3 194.282 0.527 10 0 ACAEHO CCCC[N@@H+]1CCN[C@@H](CN)C1 259185691 573793640 /nfs/dbraw/zinc/79/36/40/573793640.db2.gz HTIULADMRYLGEN-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO CCCC[N@H+]1CCN[C@@H](CN)C1 259185691 573793645 /nfs/dbraw/zinc/79/36/45/573793645.db2.gz HTIULADMRYLGEN-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO CCCCN1CCN[C@@H](C[NH3+])C1 259185691 573793650 /nfs/dbraw/zinc/79/36/50/573793650.db2.gz HTIULADMRYLGEN-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO NCc1cnc(C[C@H]2CC[NH2+]C2)s1 257878267 573793808 /nfs/dbraw/zinc/79/38/08/573793808.db2.gz ACDXKTWFLCUIRK-SSDOTTSWSA-N 1 3 197.307 0.754 10 0 ACAEHO [NH3+]CCCCN1CCO[C@H]2CCC[C@H]21 43424311 573793851 /nfs/dbraw/zinc/79/38/51/573793851.db2.gz DZJHGXAQQDFAKG-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO COCNCC[C@@H]1CC[N@H+](C)C1 259188669 573798870 /nfs/dbraw/zinc/79/88/70/573798870.db2.gz VOBXHURLDYAXFI-SECBINFHSA-N 1 3 172.272 0.522 10 0 ACAEHO COCNCC[C@@H]1CC[N@@H+](C)C1 259188669 573798872 /nfs/dbraw/zinc/79/88/72/573798872.db2.gz VOBXHURLDYAXFI-SECBINFHSA-N 1 3 172.272 0.522 10 0 ACAEHO Cn1ccnc1N[C@@H]1CCC[C@@H]1C[NH3+] 84212817 573799009 /nfs/dbraw/zinc/79/90/09/573799009.db2.gz WSSZRBZFBNNGQL-RKDXNWHRSA-N 1 3 194.282 0.959 10 0 ACAEHO CC[C@@H](CN)[C@H](CC)[NH2+]C 259189477 573799067 /nfs/dbraw/zinc/79/90/67/573799067.db2.gz KHPBDGCCZHWCCI-YUMQZZPRSA-N 1 3 144.262 0.969 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+](C)C1CCNCC1 87140367 573799103 /nfs/dbraw/zinc/79/91/03/573799103.db2.gz SNJBSSOUGCNAOF-IUCAKERBSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+](C)C1CCNCC1 87140367 573799108 /nfs/dbraw/zinc/79/91/08/573799108.db2.gz SNJBSSOUGCNAOF-IUCAKERBSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@H](O)[C@H](C)N(C)C1CC[NH2+]CC1 87140367 573799112 /nfs/dbraw/zinc/79/91/12/573799112.db2.gz SNJBSSOUGCNAOF-IUCAKERBSA-N 1 3 186.299 0.440 10 0 ACAEHO c1coc([C@@H]2CNC[C@@]23CC[NH2+]C3)c1 238125488 573799183 /nfs/dbraw/zinc/79/91/83/573799183.db2.gz RVCXJGVBBJAMKY-ONGXEEELSA-N 1 3 192.262 0.946 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCOCC1 84219120 573799376 /nfs/dbraw/zinc/79/93/76/573799376.db2.gz ZEYAEPNTGKJKEP-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCOC1 84221982 573799494 /nfs/dbraw/zinc/79/94/94/573799494.db2.gz ACOHNHXNVSHVNP-HBNTYKKESA-N 1 3 198.310 0.882 10 0 ACAEHO CC(C)([NH3+])CCN[C@H]1CCC[C@H]1O 323231487 573799551 /nfs/dbraw/zinc/79/95/51/573799551.db2.gz ATSZEXWEMZUEMT-DTWKUNHWSA-N 1 3 186.299 0.617 10 0 ACAEHO O[C@H]1CCC[C@@H]1C[NH2+]C1CCNCC1 84225237 573799760 /nfs/dbraw/zinc/79/97/60/573799760.db2.gz XWMKZZRTIRWQCV-KOLCDFICSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@H]1CCC[C@@H]1CNC1CC[NH2+]CC1 84225237 573799768 /nfs/dbraw/zinc/79/97/68/573799768.db2.gz XWMKZZRTIRWQCV-KOLCDFICSA-N 1 3 198.310 0.489 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCO 84218224 573799797 /nfs/dbraw/zinc/79/97/97/573799797.db2.gz QNTSQXXDTKKASP-IUCAKERBSA-N 1 3 172.272 0.086 10 0 ACAEHO COCNCC[C@H]1CC[N@H+](C)C1 259188671 573799878 /nfs/dbraw/zinc/79/98/78/573799878.db2.gz VOBXHURLDYAXFI-VIFPVBQESA-N 1 3 172.272 0.522 10 0 ACAEHO COCNCC[C@H]1CC[N@@H+](C)C1 259188671 573799884 /nfs/dbraw/zinc/79/98/84/573799884.db2.gz VOBXHURLDYAXFI-VIFPVBQESA-N 1 3 172.272 0.522 10 0 ACAEHO CC[NH2+][C@H]1CCC[C@H]1CN 84214373 573799938 /nfs/dbraw/zinc/79/99/38/573799938.db2.gz GMDIQBPMHPCNRP-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO C[NH2+]C[C@@H](C)CNC[C@@H](C)OC 224282462 573799991 /nfs/dbraw/zinc/79/99/91/573799991.db2.gz RFRCDZHFSUPVRS-RKDXNWHRSA-N 1 3 174.288 0.466 10 0 ACAEHO [NH3+][C@H]1CCC[C@H]1OCCN1CCCC1 131253295 573800060 /nfs/dbraw/zinc/80/00/60/573800060.db2.gz CHWSXDDIQUBUGW-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C1CC[C@@H]2CNC[C@H](C1)[NH2+]C2 238105684 573800169 /nfs/dbraw/zinc/80/01/69/573800169.db2.gz XLHGNFBTAYHMDR-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@H]2C[NH2+]C[C@@H](C1)CN2 238105684 573800175 /nfs/dbraw/zinc/80/01/75/573800175.db2.gz XLHGNFBTAYHMDR-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO CN1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 84220621 573800276 /nfs/dbraw/zinc/80/02/76/573800276.db2.gz FKVIRNROPRYHPZ-OUAUKWLOSA-N 1 3 197.326 0.408 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1OCCN1CCCC1 131253746 573800425 /nfs/dbraw/zinc/80/04/25/573800425.db2.gz CHWSXDDIQUBUGW-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CC(C)C[C@H](N)C1C[NH2+]C1 259193228 573800816 /nfs/dbraw/zinc/80/08/16/573800816.db2.gz FSNZRBWZRPVRRM-QMMMGPOBSA-N 1 3 142.246 0.579 10 0 ACAEHO CC[C@H](C[NH3+])C(=O)[C@H]1CCCN(C)C1 259191753 573801141 /nfs/dbraw/zinc/80/11/41/573801141.db2.gz RETKATRCPGEHFE-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO CCN1CC[C@@H](C[NH2+]CCCO)C1 43444170 573801178 /nfs/dbraw/zinc/80/11/78/573801178.db2.gz BWJRRUBEYOPTRH-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CNCCCO)C1 43444170 573801185 /nfs/dbraw/zinc/80/11/85/573801185.db2.gz BWJRRUBEYOPTRH-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO CC[N@H+]1CC[C@@H](CNCCCO)C1 43444170 573801188 /nfs/dbraw/zinc/80/11/88/573801188.db2.gz BWJRRUBEYOPTRH-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO CN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 84248193 573801378 /nfs/dbraw/zinc/80/13/78/573801378.db2.gz MUFSVXMAMFSAOG-YUMQZZPRSA-N 1 3 154.257 0.546 10 0 ACAEHO C[N@H+](CCCCO)C1CCNCC1 43444759 573801443 /nfs/dbraw/zinc/80/14/43/573801443.db2.gz LLEKQZLXDPASEV-UHFFFAOYSA-N 1 3 186.299 0.443 10 0 ACAEHO C[N@@H+](CCCCO)C1CCNCC1 43444759 573801449 /nfs/dbraw/zinc/80/14/49/573801449.db2.gz LLEKQZLXDPASEV-UHFFFAOYSA-N 1 3 186.299 0.443 10 0 ACAEHO CN(CCCCO)C1CC[NH2+]CC1 43444759 573801454 /nfs/dbraw/zinc/80/14/54/573801454.db2.gz LLEKQZLXDPASEV-UHFFFAOYSA-N 1 3 186.299 0.443 10 0 ACAEHO CCN1CC[C@H](C[NH2+]CCCO)C1 43444169 573801570 /nfs/dbraw/zinc/80/15/70/573801570.db2.gz BWJRRUBEYOPTRH-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO CC[N@@H+]1CC[C@H](CNCCCO)C1 43444169 573801575 /nfs/dbraw/zinc/80/15/75/573801575.db2.gz BWJRRUBEYOPTRH-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO CC[N@H+]1CC[C@H](CNCCCO)C1 43444169 573801586 /nfs/dbraw/zinc/80/15/86/573801586.db2.gz BWJRRUBEYOPTRH-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@H]1OCCN(C)C 87154327 573802862 /nfs/dbraw/zinc/80/28/62/573802862.db2.gz XOXLVCVVJWWTES-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[N@H+](CCCN)CCCCO 43445200 573802082 /nfs/dbraw/zinc/80/20/82/573802082.db2.gz VXYLBMBDHQRLDB-UHFFFAOYSA-N 1 3 160.261 0.040 10 0 ACAEHO C[N@@H+](CCCN)CCCCO 43445200 573802084 /nfs/dbraw/zinc/80/20/84/573802084.db2.gz VXYLBMBDHQRLDB-UHFFFAOYSA-N 1 3 160.261 0.040 10 0 ACAEHO C[NH2+]CCC(=O)C1CCN(C)CC1 259193536 573802110 /nfs/dbraw/zinc/80/21/10/573802110.db2.gz OCEAJGSBDXKTAD-UHFFFAOYSA-N 1 3 184.283 0.507 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H]1OCCN1CCCC1 131253491 573802282 /nfs/dbraw/zinc/80/22/82/573802282.db2.gz CHWSXDDIQUBUGW-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CN1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 84248192 573802331 /nfs/dbraw/zinc/80/23/31/573802331.db2.gz MUFSVXMAMFSAOG-JGVFFNPUSA-N 1 3 154.257 0.546 10 0 ACAEHO COCCN1CC[C@H](C[NH3+])[C@H]1C 259571232 573802357 /nfs/dbraw/zinc/80/23/57/573802357.db2.gz YPZPIYKERWDPFK-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@@H+]1CC[C@H](CN)[C@H]1C 259571232 573802360 /nfs/dbraw/zinc/80/23/60/573802360.db2.gz YPZPIYKERWDPFK-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@H+]1CC[C@H](CN)[C@H]1C 259571232 573802364 /nfs/dbraw/zinc/80/23/64/573802364.db2.gz YPZPIYKERWDPFK-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@H]1C[N@H+](CCCO)CCCN1 258132154 573802492 /nfs/dbraw/zinc/80/24/92/573802492.db2.gz MGKCNKMFJQLHOY-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H]1C[N@@H+](CCCO)CCCN1 258132154 573802499 /nfs/dbraw/zinc/80/24/99/573802499.db2.gz MGKCNKMFJQLHOY-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO COCC[N@@H+]1CCCCN[C@H](C)C1 259571153 573802510 /nfs/dbraw/zinc/80/25/10/573802510.db2.gz YOZKWIALFVVELY-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO COCC[N@H+]1CCCCN[C@H](C)C1 259571153 573802514 /nfs/dbraw/zinc/80/25/14/573802514.db2.gz YOZKWIALFVVELY-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO NCC[C@@H]([NH3+])C1CCOCC1 259193530 573802649 /nfs/dbraw/zinc/80/26/49/573802649.db2.gz FTUSUNLNOISOIF-MRVPVSSYSA-N 1 3 158.245 0.089 10 0 ACAEHO CC(C)C[N@H+](CCCN)CCCO 43444106 573802683 /nfs/dbraw/zinc/80/26/83/573802683.db2.gz VKLMSBZJSCTEPA-UHFFFAOYSA-N 1 3 188.315 0.676 10 0 ACAEHO CC(C)C[N@@H+](CCCN)CCCO 43444106 573802688 /nfs/dbraw/zinc/80/26/88/573802688.db2.gz VKLMSBZJSCTEPA-UHFFFAOYSA-N 1 3 188.315 0.676 10 0 ACAEHO CC(C)CN(CCC[NH3+])CCCO 43444106 573802695 /nfs/dbraw/zinc/80/26/95/573802695.db2.gz VKLMSBZJSCTEPA-UHFFFAOYSA-N 1 3 188.315 0.676 10 0 ACAEHO COCCN1CC[C@@H](C[NH3+])[C@H]1C 259571226 573803797 /nfs/dbraw/zinc/80/37/97/573803797.db2.gz YPZPIYKERWDPFK-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCC[N@H+](CCCN)CCCCO 43445211 573803570 /nfs/dbraw/zinc/80/35/70/573803570.db2.gz CAAKNLOZFPQBOT-UHFFFAOYSA-N 1 3 188.315 0.820 10 0 ACAEHO CCC[N@@H+](CCCN)CCCCO 43445211 573803575 /nfs/dbraw/zinc/80/35/75/573803575.db2.gz CAAKNLOZFPQBOT-UHFFFAOYSA-N 1 3 188.315 0.820 10 0 ACAEHO CCCN(CCC[NH3+])CCCCO 43445211 573803580 /nfs/dbraw/zinc/80/35/80/573803580.db2.gz CAAKNLOZFPQBOT-UHFFFAOYSA-N 1 3 188.315 0.820 10 0 ACAEHO [NH3+]C1C[C@@H]2CC[C@H](C1)N2CCCCO 43444778 573803756 /nfs/dbraw/zinc/80/37/56/573803756.db2.gz BYCURDPEKWZSOJ-FGWVZKOKSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCCO 43444778 573803760 /nfs/dbraw/zinc/80/37/60/573803760.db2.gz BYCURDPEKWZSOJ-FGWVZKOKSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2CCCCO 43444778 573803769 /nfs/dbraw/zinc/80/37/69/573803769.db2.gz BYCURDPEKWZSOJ-FGWVZKOKSA-N 1 3 198.310 0.713 10 0 ACAEHO O[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)CC1 258136046 573805801 /nfs/dbraw/zinc/80/58/01/573805801.db2.gz QPOSTFYFBPLCCE-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO O[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)CC1 258136043 573805817 /nfs/dbraw/zinc/80/58/17/573805817.db2.gz QPOSTFYFBPLCCE-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO OCCCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 43444266 573805885 /nfs/dbraw/zinc/80/58/85/573805885.db2.gz SLUSJFNYKHTLNO-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO OCCCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 43444266 573805891 /nfs/dbraw/zinc/80/58/91/573805891.db2.gz SLUSJFNYKHTLNO-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO NCC[C@H]([NH3+])C1CCOCC1 259193533 573805931 /nfs/dbraw/zinc/80/59/31/573805931.db2.gz FTUSUNLNOISOIF-QMMMGPOBSA-N 1 3 158.245 0.089 10 0 ACAEHO CC[C@H](NC[C@H](C)N(C)C)C1C[NH2+]C1 716193611 573805939 /nfs/dbraw/zinc/80/59/39/573805939.db2.gz LGGMQMZTORVNHJ-ONGXEEELSA-N 1 3 199.342 0.524 10 0 ACAEHO CCN(CCCO)C[C@@H](C)C[NH3+] 43444102 573806021 /nfs/dbraw/zinc/80/60/21/573806021.db2.gz PJWOITNRYOJESF-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO CC[N@H+](CCCO)C[C@@H](C)CN 43444102 573806028 /nfs/dbraw/zinc/80/60/28/573806028.db2.gz PJWOITNRYOJESF-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO CC[N@@H+](CCCO)C[C@@H](C)CN 43444102 573806032 /nfs/dbraw/zinc/80/60/32/573806032.db2.gz PJWOITNRYOJESF-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO CN(C)CCN1C[C@H]([NH3+])CC1(C)C 259571207 573806163 /nfs/dbraw/zinc/80/61/63/573806163.db2.gz YPPYTBUAYUZLSW-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO OCCCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 43444265 573806183 /nfs/dbraw/zinc/80/61/83/573806183.db2.gz SLUSJFNYKHTLNO-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO OCCCN[C@H]1CC[N@H+]2CCCC[C@@H]12 43444265 573806188 /nfs/dbraw/zinc/80/61/88/573806188.db2.gz SLUSJFNYKHTLNO-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CNC1 716193092 573806211 /nfs/dbraw/zinc/80/62/11/573806211.db2.gz IOXUNGLDSAKFBY-LSJOCFKGSA-N 1 3 198.310 0.345 10 0 ACAEHO Cc1nn([C@@H]2CCN(C)C2)cc1C[NH3+] 716191696 573806277 /nfs/dbraw/zinc/80/62/77/573806277.db2.gz VEDJREQIUKQQBX-SNVBAGLBSA-N 1 3 194.282 0.527 10 0 ACAEHO O[C@H]1CCCN(C[C@H]2CC[NH2+]C2)CC1 258136045 573806324 /nfs/dbraw/zinc/80/63/24/573806324.db2.gz QPOSTFYFBPLCCE-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO CC[C@@H](NC[C@H](C)N(C)C)C1C[NH2+]C1 716193604 573806335 /nfs/dbraw/zinc/80/63/35/573806335.db2.gz LGGMQMZTORVNHJ-GXSJLCMTSA-N 1 3 199.342 0.524 10 0 ACAEHO [NH3+][C@]12CCCC[C@@H]1CNCC2 221983117 573806576 /nfs/dbraw/zinc/80/65/76/573806576.db2.gz PVYKDFJSAPIKDZ-BDAKNGLRSA-N 1 3 154.257 0.867 10 0 ACAEHO COCC[N@@H+]1CCCCN[C@@H](C)C1 259571151 573806605 /nfs/dbraw/zinc/80/66/05/573806605.db2.gz YOZKWIALFVVELY-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO COCC[N@H+]1CCCCN[C@@H](C)C1 259571151 573806607 /nfs/dbraw/zinc/80/66/07/573806607.db2.gz YOZKWIALFVVELY-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO F[C@@H]1CCN[C@H](C2C[NH2+]C2)C1 238528881 573809347 /nfs/dbraw/zinc/80/93/47/573809347.db2.gz ZKYOMUWDEOZXCU-SFYZADRCSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@@H]1CC[NH2+][C@H](C2CNC2)C1 238528881 573809351 /nfs/dbraw/zinc/80/93/51/573809351.db2.gz ZKYOMUWDEOZXCU-SFYZADRCSA-N 1 3 158.220 0.296 10 0 ACAEHO CN(CC1CCC1)C[C@@H](N)C[NH3+] 258956079 573809452 /nfs/dbraw/zinc/80/94/52/573809452.db2.gz KRSGKHODBGDKOV-VIFPVBQESA-N 1 3 171.288 0.004 10 0 ACAEHO CNCc1cnc([C@@H]2CC[NH2+]C2)s1 257879787 573809529 /nfs/dbraw/zinc/80/95/29/573809529.db2.gz AGFXZDWKTBPIRR-SSDOTTSWSA-N 1 3 197.307 0.939 10 0 ACAEHO F[C@@H]1CCN[C@H]([C@@H]2CC[NH2+]C2)C1 238528919 573809584 /nfs/dbraw/zinc/80/95/84/573809584.db2.gz OEWKDDRUXYBCEG-HLTSFMKQSA-N 1 3 172.247 0.686 10 0 ACAEHO CNCc1cnc([C@H]2CC[NH2+]C2)s1 257879790 573809659 /nfs/dbraw/zinc/80/96/59/573809659.db2.gz AGFXZDWKTBPIRR-ZETCQYMHSA-N 1 3 197.307 0.939 10 0 ACAEHO F[C@@H]1CNC[C@H]([C@@H]2CCC[NH2+]C2)C1 238529811 573809782 /nfs/dbraw/zinc/80/97/82/573809782.db2.gz DWNCVDDNZCAATL-BBBLOLIVSA-N 1 3 186.274 0.934 10 0 ACAEHO F[C@@H]1CNC[C@@H]([C@@H]2CC[NH2+]C2)C1 238529748 573809825 /nfs/dbraw/zinc/80/98/25/573809825.db2.gz CBLRRRRQPPCQQA-VGMNWLOBSA-N 1 3 172.247 0.544 10 0 ACAEHO Cc1ccc(C)c([C@H]([NH3+])[C@H](O)CN)c1 259622144 573810077 /nfs/dbraw/zinc/81/00/77/573810077.db2.gz XYORPKJDYLSLCJ-MNOVXSKESA-N 1 3 194.278 0.623 10 0 ACAEHO F[C@@H]1CCN[C@@H](C2C[NH2+]C2)C1 238528762 573810088 /nfs/dbraw/zinc/81/00/88/573810088.db2.gz ZKYOMUWDEOZXCU-HTQZYQBOSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@@H]1CC[NH2+][C@@H](C2CNC2)C1 238528762 573810092 /nfs/dbraw/zinc/81/00/92/573810092.db2.gz ZKYOMUWDEOZXCU-HTQZYQBOSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@@H]1CNC[C@H]([C@@H]2CC[NH2+]C2)C1 238529830 573810152 /nfs/dbraw/zinc/81/01/52/573810152.db2.gz CBLRRRRQPPCQQA-HLTSFMKQSA-N 1 3 172.247 0.544 10 0 ACAEHO C[C@H](CCN)[NH+]1CCC(CO)CC1 41042534 573812484 /nfs/dbraw/zinc/81/24/84/573812484.db2.gz RVSVOUMAKOQHSH-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC[C@H](C)NC[C@@]1(O)CC[NH2+]C1 393591326 573812515 /nfs/dbraw/zinc/81/25/15/573812515.db2.gz QZWRJHBBQBGMDA-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[C@@H](N)C1([NH3+])CC1 259200723 573811732 /nfs/dbraw/zinc/81/17/32/573811732.db2.gz DLCFFKASBFLJQZ-ZCFIWIBFSA-N 1 3 128.219 0.605 10 0 ACAEHO C[NH2+]C[C@@H](CN)Cc1ccco1 258141241 573811773 /nfs/dbraw/zinc/81/17/73/573811773.db2.gz GXFZUMUIAPKEAY-MRVPVSSYSA-N 1 3 168.240 0.616 10 0 ACAEHO Cc1ccc(C)c([C@@H]([NH3+])[C@@H](O)CN)c1 259622154 573811774 /nfs/dbraw/zinc/81/17/74/573811774.db2.gz XYORPKJDYLSLCJ-WDEREUQCSA-N 1 3 194.278 0.623 10 0 ACAEHO CNC[C@@H](C[NH3+])Cc1ccco1 258141241 573811777 /nfs/dbraw/zinc/81/17/77/573811777.db2.gz GXFZUMUIAPKEAY-MRVPVSSYSA-N 1 3 168.240 0.616 10 0 ACAEHO F[C@@H]1CNC[C@@H]([C@@H]2CCC[NH2+]C2)C1 238529719 573811792 /nfs/dbraw/zinc/81/17/92/573811792.db2.gz DWNCVDDNZCAATL-UTLUCORTSA-N 1 3 186.274 0.934 10 0 ACAEHO Cc1ncc([C@@H]2[NH2+]C[C@@H]3[C@@H](N)[C@H]23)s1 238529396 573811875 /nfs/dbraw/zinc/81/18/75/573811875.db2.gz IGZIBUNBLWUDBB-HKVUECMASA-N 1 3 195.291 0.669 10 0 ACAEHO C[N@H+](CCC(C)(C)C)C[C@@H](N)CN 259199706 573811902 /nfs/dbraw/zinc/81/19/02/573811902.db2.gz WUMWLNZJBMDKRV-VIFPVBQESA-N 1 3 187.331 0.640 10 0 ACAEHO C[N@@H+](CCC(C)(C)C)C[C@@H](N)CN 259199706 573811906 /nfs/dbraw/zinc/81/19/06/573811906.db2.gz WUMWLNZJBMDKRV-VIFPVBQESA-N 1 3 187.331 0.640 10 0 ACAEHO CN(CCC(C)(C)C)C[C@@H](N)C[NH3+] 259199706 573811912 /nfs/dbraw/zinc/81/19/12/573811912.db2.gz WUMWLNZJBMDKRV-VIFPVBQESA-N 1 3 187.331 0.640 10 0 ACAEHO CN1CCN(C)[C@H]([C@@H]2CC[N@H+](C)C2)C1 258960882 573812112 /nfs/dbraw/zinc/81/21/12/573812112.db2.gz CAOZBMDAWHTOMT-MNOVXSKESA-N 1 3 197.326 0.184 10 0 ACAEHO F[C@@H]1CNC[C@H](C2C[NH2+]C2)C1 238529790 573812113 /nfs/dbraw/zinc/81/21/13/573812113.db2.gz ORVPAKFDEZXTTP-SVRRBLITSA-N 1 3 158.220 0.153 10 0 ACAEHO CN1CCN(C)[C@H]([C@@H]2CC[N@@H+](C)C2)C1 258960882 573812125 /nfs/dbraw/zinc/81/21/25/573812125.db2.gz CAOZBMDAWHTOMT-MNOVXSKESA-N 1 3 197.326 0.184 10 0 ACAEHO CCC[C@H]([NH3+])C1(CN)CC1 259622063 573812238 /nfs/dbraw/zinc/81/22/38/573812238.db2.gz XYJFGTNVAQPDDQ-ZETCQYMHSA-N 1 3 142.246 0.853 10 0 ACAEHO CN1CCN(C)[C@@H]([C@H]2CC[N@H+](C)C2)C1 258960886 573812295 /nfs/dbraw/zinc/81/22/95/573812295.db2.gz CAOZBMDAWHTOMT-WDEREUQCSA-N 1 3 197.326 0.184 10 0 ACAEHO CN1CCN(C)[C@@H]([C@H]2CC[N@@H+](C)C2)C1 258960886 573812300 /nfs/dbraw/zinc/81/23/00/573812300.db2.gz CAOZBMDAWHTOMT-WDEREUQCSA-N 1 3 197.326 0.184 10 0 ACAEHO OC[C@@H]1C[C@H](CN2CCCCC2)C[NH2+]1 258140696 573812328 /nfs/dbraw/zinc/81/23/28/573812328.db2.gz JQHOEPGDKDQEQS-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO CC(C)CCCNCN1CC[NH2+]CC1 258963583 573819408 /nfs/dbraw/zinc/81/94/08/573819408.db2.gz TZYZKDBRWHMNSP-UHFFFAOYSA-N 1 3 199.342 0.875 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1CN1CCOCC1 84311481 573820745 /nfs/dbraw/zinc/82/07/45/573820745.db2.gz VHIXEDSYSGQYSE-QWRGUYRKSA-N 1 3 198.310 0.694 10 0 ACAEHO CN1CC[C@H](C(=O)[C@H]2CCCC[NH2+]2)C1 259203873 573820914 /nfs/dbraw/zinc/82/09/14/573820914.db2.gz OUNNUPXEMBCLCB-VHSXEESVSA-N 1 3 196.294 0.649 10 0 ACAEHO CC1(C[NH2+][C@@H]2CC[C@H](N)C2)COC1 87197383 573822446 /nfs/dbraw/zinc/82/24/46/573822446.db2.gz DAUQSSBALMMLND-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO CC1(CN[C@@H]2CC[C@H]([NH3+])C2)COC1 87197383 573822451 /nfs/dbraw/zinc/82/24/51/573822451.db2.gz DAUQSSBALMMLND-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO CN1CC[C@H](C(=O)[C@@H]2CCCC[NH2+]2)C1 259203871 573822895 /nfs/dbraw/zinc/82/28/95/573822895.db2.gz OUNNUPXEMBCLCB-UWVGGRQHSA-N 1 3 196.294 0.649 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@@H]2CCCC[NH2+]2)C1 259203875 573823119 /nfs/dbraw/zinc/82/31/19/573823119.db2.gz OUNNUPXEMBCLCB-ZJUUUORDSA-N 1 3 196.294 0.649 10 0 ACAEHO CC[N@H+](C)C[C@H](O)CNCCCF 393592769 573823152 /nfs/dbraw/zinc/82/31/52/573823152.db2.gz YASDLWPIRWUNPS-SECBINFHSA-N 1 3 192.278 0.248 10 0 ACAEHO CC[N@@H+](C)C[C@H](O)CNCCCF 393592769 573823156 /nfs/dbraw/zinc/82/31/56/573823156.db2.gz YASDLWPIRWUNPS-SECBINFHSA-N 1 3 192.278 0.248 10 0 ACAEHO CC1(C[NH2+][C@H]2CC[C@@H](N)C2)COC1 87197386 573824437 /nfs/dbraw/zinc/82/44/37/573824437.db2.gz DAUQSSBALMMLND-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC1(CN[C@H]2CC[C@@H]([NH3+])C2)COC1 87197386 573824444 /nfs/dbraw/zinc/82/44/44/573824444.db2.gz DAUQSSBALMMLND-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO C[Si](C)(C)C[NH2+]CCCN 238525660 573824934 /nfs/dbraw/zinc/82/49/34/573824934.db2.gz YDDPFZSDWBWCCM-UHFFFAOYSA-N 1 3 160.337 0.802 10 0 ACAEHO CC1(C[NH2+]C2CCNCC2)COC1 87197283 573825305 /nfs/dbraw/zinc/82/53/05/573825305.db2.gz CFKGFGIMOSIISJ-UHFFFAOYSA-N 1 3 184.283 0.365 10 0 ACAEHO CC1(CNC2CC[NH2+]CC2)COC1 87197283 573825311 /nfs/dbraw/zinc/82/53/11/573825311.db2.gz CFKGFGIMOSIISJ-UHFFFAOYSA-N 1 3 184.283 0.365 10 0 ACAEHO C[NH2+]CCc1coc([C@H]2CCCN2)n1 257884539 573825413 /nfs/dbraw/zinc/82/54/13/573825413.db2.gz AOILBKFHJYUQAY-SECBINFHSA-N 1 3 195.266 0.861 10 0 ACAEHO NC[C@H](F)C[C@H]1CC[NH2+]C1 258431836 573825706 /nfs/dbraw/zinc/82/57/06/573825706.db2.gz DBFXBZITJJHPBS-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO CCC(CC)N(CCO)[C@@H](C)C[NH3+] 43513858 573827039 /nfs/dbraw/zinc/82/70/39/573827039.db2.gz NSPLLQSWYYNMEJ-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO Cc1nc(CN)[nH]c1[C@@H]1CCC[N@H+]1C 258143421 573829621 /nfs/dbraw/zinc/82/96/21/573829621.db2.gz RFKRGRPMYDJRLY-QMMMGPOBSA-N 1 3 194.282 0.944 10 0 ACAEHO Cc1nc(CN)[nH]c1[C@@H]1CCC[N@@H+]1C 258143421 573829627 /nfs/dbraw/zinc/82/96/27/573829627.db2.gz RFKRGRPMYDJRLY-QMMMGPOBSA-N 1 3 194.282 0.944 10 0 ACAEHO CN(C)CC[C@H]([NH3+])C1CC1 84327750 573829716 /nfs/dbraw/zinc/82/97/16/573829716.db2.gz MGXHFNUXKAFRDF-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(=O)CNCC[C@H]1CC[N@@H+](C)C1 258965016 573829987 /nfs/dbraw/zinc/82/99/87/573829987.db2.gz UBYOSZNTPFMYID-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO CC(=O)CNCC[C@H]1CC[N@H+](C)C1 258965016 573829994 /nfs/dbraw/zinc/82/99/94/573829994.db2.gz UBYOSZNTPFMYID-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO COC1CC(C[NH2+][C@H](C)C2CNC2)C1 686255671 573834888 /nfs/dbraw/zinc/83/48/88/573834888.db2.gz QDJVLTOCZXSHMN-FKTRJACZSA-N 1 3 198.310 0.609 10 0 ACAEHO COC1CC(C[NH2+][C@@H](C)C2CNC2)C1 686255672 573834963 /nfs/dbraw/zinc/83/49/63/573834963.db2.gz QDJVLTOCZXSHMN-SILCLGDVSA-N 1 3 198.310 0.609 10 0 ACAEHO CC(C)C[NH2+]C[C@@]1(F)CCNC1 257887248 573835036 /nfs/dbraw/zinc/83/50/36/573835036.db2.gz MSZLIBOJAUIMGD-SECBINFHSA-N 1 3 174.263 0.934 10 0 ACAEHO CN1CC[C@H](c2cncc(C[NH3+])c2)C1 259623149 573838449 /nfs/dbraw/zinc/83/84/49/573838449.db2.gz FMZHFKVOPFQPCK-JTQLQIEISA-N 1 3 191.278 0.959 10 0 ACAEHO CC(F)(F)CCNCCC(=[NH2+])NO 393593342 573839172 /nfs/dbraw/zinc/83/91/72/573839172.db2.gz SPHVZOREAAQMBH-UHFFFAOYSA-N 1 3 195.213 0.967 10 0 ACAEHO CN1CC[C@@H](c2cncc(C[NH3+])c2)C1 259623152 573840571 /nfs/dbraw/zinc/84/05/71/573840571.db2.gz FMZHFKVOPFQPCK-SNVBAGLBSA-N 1 3 191.278 0.959 10 0 ACAEHO NCc1ccc([C@H]2CC[NH2+]C2)[nH]c1=O 259623041 573839931 /nfs/dbraw/zinc/83/99/31/573839931.db2.gz FKGIJZBFNKZCBP-QMMMGPOBSA-N 1 3 193.250 0.323 10 0 ACAEHO NCc1ccc([C@@H]2CC[NH2+]C2)[nH]c1=O 259623035 573840218 /nfs/dbraw/zinc/84/02/18/573840218.db2.gz FKGIJZBFNKZCBP-MRVPVSSYSA-N 1 3 193.250 0.323 10 0 ACAEHO C[NH2+]CC(C)(C)N[C@H]1CCCN(C)C1 258966939 573840471 /nfs/dbraw/zinc/84/04/71/573840471.db2.gz YKKZZNTXJGQXMX-JTQLQIEISA-N 1 3 199.342 0.668 10 0 ACAEHO CC1(C)CC[N@H+](C[C@@H](O)CN)C1 87251977 573843981 /nfs/dbraw/zinc/84/39/81/573843981.db2.gz TVIGEIMSFHHEJN-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC1(C)CC[N@@H+](C[C@@H](O)CN)C1 87251977 573843990 /nfs/dbraw/zinc/84/39/90/573843990.db2.gz TVIGEIMSFHHEJN-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC1(C)CCN(C[C@@H](O)C[NH3+])C1 87251977 573843995 /nfs/dbraw/zinc/84/39/95/573843995.db2.gz TVIGEIMSFHHEJN-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO Nc1[nH]cc(CNC2CC2)[nH+]1 258150031 573844068 /nfs/dbraw/zinc/84/40/68/573844068.db2.gz LGJJVCYLNVFQIL-UHFFFAOYSA-N 1 3 152.201 0.244 10 0 ACAEHO CCCNC[C@]1(O)CCC[NH2+]C1 257887300 573844090 /nfs/dbraw/zinc/84/40/90/573844090.db2.gz MVBSFVPZGJGHSJ-SECBINFHSA-N 1 3 172.272 0.101 10 0 ACAEHO CN1CCC[C@H](c2c[nH]c(N)[nH+]2)C1 259211531 573844163 /nfs/dbraw/zinc/84/41/63/573844163.db2.gz YKHJGYBUJAKVQQ-ZETCQYMHSA-N 1 3 180.255 0.801 10 0 ACAEHO C[N@@H+]1CCC[C@H](c2c[nH]c(N)n2)C1 259211531 573844172 /nfs/dbraw/zinc/84/41/72/573844172.db2.gz YKHJGYBUJAKVQQ-ZETCQYMHSA-N 1 3 180.255 0.801 10 0 ACAEHO C[N@H+]1CCC[C@H](c2c[nH]c(N)n2)C1 259211531 573844177 /nfs/dbraw/zinc/84/41/77/573844177.db2.gz YKHJGYBUJAKVQQ-ZETCQYMHSA-N 1 3 180.255 0.801 10 0 ACAEHO CC1(C)CC[N@@H+]([C@H]2COCC[C@@H]2N)C1 87252041 573844252 /nfs/dbraw/zinc/84/42/52/573844252.db2.gz JEMGWFYKQSJLMW-UWVGGRQHSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1(C)CC[N@H+]([C@H]2COCC[C@@H]2N)C1 87252041 573844255 /nfs/dbraw/zinc/84/42/55/573844255.db2.gz JEMGWFYKQSJLMW-UWVGGRQHSA-N 1 3 198.310 0.835 10 0 ACAEHO CCC1(C[NH2+][C@H](C)C2CNC2)COC1 686251020 573844572 /nfs/dbraw/zinc/84/45/72/573844572.db2.gz RCVYIFLBFMYEAP-SECBINFHSA-N 1 3 198.310 0.611 10 0 ACAEHO CCC1(CN[C@H](C)C2C[NH2+]C2)COC1 686251020 573844576 /nfs/dbraw/zinc/84/45/76/573844576.db2.gz RCVYIFLBFMYEAP-SECBINFHSA-N 1 3 198.310 0.611 10 0 ACAEHO CC1(C)CC[N@@H+]([C@@H]2COCC[C@@H]2N)C1 87252040 573845761 /nfs/dbraw/zinc/84/57/61/573845761.db2.gz JEMGWFYKQSJLMW-VHSXEESVSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1(C)CC[N@H+]([C@@H]2COCC[C@@H]2N)C1 87252040 573845765 /nfs/dbraw/zinc/84/57/65/573845765.db2.gz JEMGWFYKQSJLMW-VHSXEESVSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1C[NH2+]CCN([C@@H]2CCCCN2)C1 258160442 573845812 /nfs/dbraw/zinc/84/58/12/573845812.db2.gz NRNFNLMBMWHPBZ-WDEREUQCSA-N 1 3 197.326 0.627 10 0 ACAEHO [NH3+][C@H](CNC1CCC1)C1CCOCC1 258158295 573846065 /nfs/dbraw/zinc/84/60/65/573846065.db2.gz NIIDWNMOYKZVAI-LLVKDONJSA-N 1 3 198.310 0.882 10 0 ACAEHO CN1C(=[NH2+])NC(=N)Nc2ccccc21 238536923 573846148 /nfs/dbraw/zinc/84/61/48/573846148.db2.gz KLBFAWORDMFPAU-UHFFFAOYSA-N 1 3 189.222 0.397 10 0 ACAEHO CN1C(=N)NC(=[NH2+])Nc2ccccc21 238536923 573846156 /nfs/dbraw/zinc/84/61/56/573846156.db2.gz KLBFAWORDMFPAU-UHFFFAOYSA-N 1 3 189.222 0.397 10 0 ACAEHO CCC(C)(C)CNCN1CC[NH2+]CC1 258970347 573846406 /nfs/dbraw/zinc/84/64/06/573846406.db2.gz UZTDSRNYTDLOSU-UHFFFAOYSA-N 1 3 199.342 0.875 10 0 ACAEHO C[NH2+]CC1(CN[C@H]2CCN(C)C2)CC1 258971791 573849117 /nfs/dbraw/zinc/84/91/17/573849117.db2.gz SZYBJMOSDWIGPW-JTQLQIEISA-N 1 3 197.326 0.280 10 0 ACAEHO CC(C)=CC[N@@H+]1CCC[C@](O)(CN)C1 238151463 573849502 /nfs/dbraw/zinc/84/95/02/573849502.db2.gz RFJLILCAHNGRFJ-NSHDSACASA-N 1 3 198.310 0.738 10 0 ACAEHO CC(C)=CC[N@H+]1CCC[C@](O)(CN)C1 238151463 573849507 /nfs/dbraw/zinc/84/95/07/573849507.db2.gz RFJLILCAHNGRFJ-NSHDSACASA-N 1 3 198.310 0.738 10 0 ACAEHO CC[C@H]([NH3+])[C@@H]1CCN(C)C1 84327719 573851282 /nfs/dbraw/zinc/85/12/82/573851282.db2.gz COAPSZGLBFUZGR-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)=CC[N@@H+]1CCC[C@@](O)(CN)C1 238151429 573851295 /nfs/dbraw/zinc/85/12/95/573851295.db2.gz RFJLILCAHNGRFJ-LLVKDONJSA-N 1 3 198.310 0.738 10 0 ACAEHO CC(C)=CC[N@H+]1CCC[C@@](O)(CN)C1 238151429 573851302 /nfs/dbraw/zinc/85/13/02/573851302.db2.gz RFJLILCAHNGRFJ-LLVKDONJSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@@]1(C[N@@H+]2CCCNCC2)CCCO1 87257829 573851362 /nfs/dbraw/zinc/85/13/62/573851362.db2.gz YMQGOFHPTVXVIQ-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@@]1(C[N@H+]2CCCNCC2)CCCO1 87257829 573851368 /nfs/dbraw/zinc/85/13/68/573851368.db2.gz YMQGOFHPTVXVIQ-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@]1(CN2CC[C@H](C[NH3+])C2)CCCO1 87254680 573850960 /nfs/dbraw/zinc/85/09/60/573850960.db2.gz TYQHDXCEXNUOTF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(C[N@@H+]2CC[C@H](CN)C2)CCCO1 87254680 573850965 /nfs/dbraw/zinc/85/09/65/573850965.db2.gz TYQHDXCEXNUOTF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(C[N@H+]2CC[C@H](CN)C2)CCCO1 87254680 573850975 /nfs/dbraw/zinc/85/09/75/573850975.db2.gz TYQHDXCEXNUOTF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO CC[C@H]([NH3+])[C@H]1CCN(C)C1 84327722 573851147 /nfs/dbraw/zinc/85/11/47/573851147.db2.gz COAPSZGLBFUZGR-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@]1(C[N@@H+]2CCCNCC2)CCCO1 87257827 573852727 /nfs/dbraw/zinc/85/27/27/573852727.db2.gz YMQGOFHPTVXVIQ-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@]1(CN2CCC([NH3+])CC2)CCCO1 87254482 573853402 /nfs/dbraw/zinc/85/34/02/573853402.db2.gz SPVRNWNUDCPZIU-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@]1(C[N@H+]2CCCNCC2)CCCO1 87257827 573852736 /nfs/dbraw/zinc/85/27/36/573852736.db2.gz YMQGOFHPTVXVIQ-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H]1CCN(C)C1 84327721 573852803 /nfs/dbraw/zinc/85/28/03/573852803.db2.gz COAPSZGLBFUZGR-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO COC[C@H](C[NH3+])N[C@@H]1CC[C@@H](C)C1 393565465 573853176 /nfs/dbraw/zinc/85/31/76/573853176.db2.gz JHZBMJVKTZCLRF-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H]([NH3+])CCC(=O)[C@@H]1CCN(C)C1 259211883 573854573 /nfs/dbraw/zinc/85/45/73/573854573.db2.gz PJZUSPGPDJMENG-RKDXNWHRSA-N 1 3 184.283 0.635 10 0 ACAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@@H](O)CN 259212110 573854592 /nfs/dbraw/zinc/85/45/92/573854592.db2.gz FUNSIGAIIBLGDK-WDEREUQCSA-N 1 3 194.278 0.575 10 0 ACAEHO CC[C@@H]([NH3+])[C@H]1CCN(C)C1 84327723 573854598 /nfs/dbraw/zinc/85/45/98/573854598.db2.gz COAPSZGLBFUZGR-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]([NH3+])CCC(=O)[C@H]1CCN(C)C1 259211881 573854822 /nfs/dbraw/zinc/85/48/22/573854822.db2.gz PJZUSPGPDJMENG-IUCAKERBSA-N 1 3 184.283 0.635 10 0 ACAEHO C[NH2+]CCCNC[C@H]1CCCCO1 43606526 573856326 /nfs/dbraw/zinc/85/63/26/573856326.db2.gz PFNASFWRMLHHFN-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO [NH3+][C@H](CO)CCN1CC2CCC1CC2 308456395 573856544 /nfs/dbraw/zinc/85/65/44/573856544.db2.gz BSWGMJHIJGULKB-YVNMAJEFSA-N 1 3 198.310 0.571 10 0 ACAEHO CN(C)CCc1nc(CC[NH3+])co1 257890556 573856880 /nfs/dbraw/zinc/85/68/80/573856880.db2.gz AZTBAORQQULRBZ-UHFFFAOYSA-N 1 3 183.255 0.280 10 0 ACAEHO OC[C@@H]1C[C@@H]([C@@H]2CCCCN2)C[NH2+]1 258156490 573856932 /nfs/dbraw/zinc/85/69/32/573856932.db2.gz KSIDSBRTHAXLEK-UTLUCORTSA-N 1 3 184.283 0.099 10 0 ACAEHO C[NH2+]CCCNC[C@@H]1CCCCO1 43606523 573856939 /nfs/dbraw/zinc/85/69/39/573856939.db2.gz PFNASFWRMLHHFN-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO OC[C@@H]1C[C@@H]([C@H]2CCCCN2)C[NH2+]1 258156485 573857087 /nfs/dbraw/zinc/85/70/87/573857087.db2.gz KSIDSBRTHAXLEK-KXUCPTDWSA-N 1 3 184.283 0.099 10 0 ACAEHO OC[C@@H]1C[C@H]([C@@H]2CCCCN2)C[NH2+]1 258156483 573857338 /nfs/dbraw/zinc/85/73/38/573857338.db2.gz KSIDSBRTHAXLEK-GUBZILKMSA-N 1 3 184.283 0.099 10 0 ACAEHO F[C@H]1CNCC[C@H]1C1C[NH2+]C1 238544004 573857397 /nfs/dbraw/zinc/85/73/97/573857397.db2.gz RWROSFNASGNHPY-YUMQZZPRSA-N 1 3 158.220 0.153 10 0 ACAEHO c1cc2c(c[nH+]1)NC[C@H]1CNCCN21 87262627 573858398 /nfs/dbraw/zinc/85/83/98/573858398.db2.gz FZXOJXIETHSRRV-MRVPVSSYSA-N 1 3 190.250 0.285 10 0 ACAEHO CCN(CC)[C@@H](C[NH3+])[C@H]1CCCCN1 214991704 573860933 /nfs/dbraw/zinc/86/09/33/573860933.db2.gz QLQSGQDFNMVBQZ-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO CC[C@H]([NH2+]C)[C@H]1CCN(C)C1 84329101 573861102 /nfs/dbraw/zinc/86/11/02/573861102.db2.gz XIVMHCAWCLKNQK-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO NCc1cnoc1C[C@@H]1CCC[NH2+]1 259216124 573861498 /nfs/dbraw/zinc/86/14/98/573861498.db2.gz LNJGLXPGCYIOLO-QMMMGPOBSA-N 1 3 181.239 0.428 10 0 ACAEHO CCN(CC)[C@@H](CN)[C@H]1CCC[N@@H+]1C 214992236 573864194 /nfs/dbraw/zinc/86/41/94/573864194.db2.gz WXIPNGCWIXKUJG-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC)[C@@H](CN)[C@H]1CCC[N@H+]1C 214992236 573864197 /nfs/dbraw/zinc/86/41/97/573864197.db2.gz WXIPNGCWIXKUJG-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](N[C@@H]1CCOC1(C)C)C1C[NH2+]C1 686251062 573864198 /nfs/dbraw/zinc/86/41/98/573864198.db2.gz CPDNBFQPFXFIBR-PSASIEDQSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)C1CNC1 686251062 573864202 /nfs/dbraw/zinc/86/42/02/573864202.db2.gz CPDNBFQPFXFIBR-PSASIEDQSA-N 1 3 198.310 0.751 10 0 ACAEHO F[C@H]1CNCC[C@@H]1C1C[NH2+]C1 238540436 573864374 /nfs/dbraw/zinc/86/43/74/573864374.db2.gz RWROSFNASGNHPY-SFYZADRCSA-N 1 3 158.220 0.153 10 0 ACAEHO CCN(CC)[C@H](C[NH3+])[C@@H]1CCCCN1 214991658 573864616 /nfs/dbraw/zinc/86/46/16/573864616.db2.gz QLQSGQDFNMVBQZ-WDEREUQCSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H](NCCN1CC=CC1)C1C[NH2+]C1 686251160 573864637 /nfs/dbraw/zinc/86/46/37/573864637.db2.gz UQTQBAXFAATWFL-JTQLQIEISA-N 1 3 195.310 0.056 10 0 ACAEHO [NH3+]CCc1cnc([C@H]2CCCN2)o1 258164938 573864738 /nfs/dbraw/zinc/86/47/38/573864738.db2.gz RFHKZWNDFJGJOV-MRVPVSSYSA-N 1 3 181.239 0.600 10 0 ACAEHO NCc1cnoc1[C@@H]1CCC[NH2+]C1 257891209 573864864 /nfs/dbraw/zinc/86/48/64/573864864.db2.gz NMBJTHNKKDCFSL-SSDOTTSWSA-N 1 3 181.239 0.600 10 0 ACAEHO F[C@H]1CNC[C@@H](C2C[NH2+]C2)C1 238549634 573871506 /nfs/dbraw/zinc/87/15/06/573871506.db2.gz ORVPAKFDEZXTTP-POYBYMJQSA-N 1 3 158.220 0.153 10 0 ACAEHO C[C@]1(O)CC[N@H+](C[C@@H]2CCCNC2)C1 235757924 573874659 /nfs/dbraw/zinc/87/46/59/573874659.db2.gz MRHWEPARFSBMOG-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1(O)CC[N@@H+](C[C@@H]2CCCNC2)C1 235757924 573874662 /nfs/dbraw/zinc/87/46/62/573874662.db2.gz MRHWEPARFSBMOG-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CN(C)CCO[C@@H]1CCCC[C@H]1[NH3+] 131522944 573873952 /nfs/dbraw/zinc/87/39/52/573873952.db2.gz VTFHGCYXTWUPMB-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@]1(O)CCN(C[C@@H]2CCC[NH2+]C2)C1 235757924 573874651 /nfs/dbraw/zinc/87/46/51/573874651.db2.gz MRHWEPARFSBMOG-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CN1CC[C@H](N(C)CC2(C[NH3+])CC2)C1 258980420 573877471 /nfs/dbraw/zinc/87/74/71/573877471.db2.gz UOGJTVHAIVVHJB-JTQLQIEISA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@@H](CCO)[N@@H+]1CCC[C@H](CN)C1 215004955 573877726 /nfs/dbraw/zinc/87/77/26/573877726.db2.gz KQBHRFJOAIWSHX-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CCO)[N@H+]1CCC[C@H](CN)C1 215004955 573877732 /nfs/dbraw/zinc/87/77/32/573877732.db2.gz KQBHRFJOAIWSHX-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CCO)N1CCC[C@H](C[NH3+])C1 215004955 573877738 /nfs/dbraw/zinc/87/77/38/573877738.db2.gz KQBHRFJOAIWSHX-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CN[C@@H](CC(C)C)N1CC[NH2+]CC1 259578807 573877874 /nfs/dbraw/zinc/87/78/74/573877874.db2.gz XBQHJGJBDIQREN-SNVBAGLBSA-N 1 3 185.315 0.483 10 0 ACAEHO CNCNCC1CC[NH+](C)CC1 258980361 573879316 /nfs/dbraw/zinc/87/93/16/573879316.db2.gz XXWMKCSSRKILPC-UHFFFAOYSA-N 1 3 171.288 0.095 10 0 ACAEHO C[C@@H]1CCC[N@H+](C)C[C@@H]1N 76575675 573879359 /nfs/dbraw/zinc/87/93/59/573879359.db2.gz MTPLKKVTKLTENA-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CCC[N@@H+](C)C[C@@H]1N 76575675 573879364 /nfs/dbraw/zinc/87/93/64/573879364.db2.gz MTPLKKVTKLTENA-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CCN1CCC[C@@H](NC2C[NH2+]C2)C1 84418521 573879626 /nfs/dbraw/zinc/87/96/26/573879626.db2.gz TYPDEEBOYTVPMC-SECBINFHSA-N 1 3 183.299 0.032 10 0 ACAEHO C1CC[N@H+]2CC[C@@H](NC3CNC3)[C@@H]2C1 84417421 573879817 /nfs/dbraw/zinc/87/98/17/573879817.db2.gz XZMHLAAQEHSVNE-MNOVXSKESA-N 1 3 195.310 0.175 10 0 ACAEHO C1CC[N@@H+]2CC[C@@H](NC3CNC3)[C@@H]2C1 84417421 573879821 /nfs/dbraw/zinc/87/98/21/573879821.db2.gz XZMHLAAQEHSVNE-MNOVXSKESA-N 1 3 195.310 0.175 10 0 ACAEHO CC(C)(CCN)[NH2+]C[C@@H]1CCCO1 258981375 573879866 /nfs/dbraw/zinc/87/98/66/573879866.db2.gz OQPUEXJGKPTNLD-VIFPVBQESA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)(CC[NH3+])NC[C@@H]1CCCO1 258981375 573879869 /nfs/dbraw/zinc/87/98/69/573879869.db2.gz OQPUEXJGKPTNLD-VIFPVBQESA-N 1 3 186.299 0.882 10 0 ACAEHO N[C@@H](CC[NH3+])c1cc[nH]c1 259218487 573880685 /nfs/dbraw/zinc/88/06/85/573880685.db2.gz GSRIOPDVDDVIFR-ZETCQYMHSA-N 1 3 139.202 0.363 10 0 ACAEHO CC(C)(C[NH3+])NCCc1cccnc1 258981785 573880745 /nfs/dbraw/zinc/88/07/45/573880745.db2.gz ZYUCZEGREBAVHQ-UHFFFAOYSA-N 1 3 193.294 0.951 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1NC1CC(O)C1 84422388 573883847 /nfs/dbraw/zinc/88/38/47/573883847.db2.gz ZXWJPTALPNEODN-SEZDTBSWSA-N 1 3 184.283 0.227 10 0 ACAEHO NCc1cnc(C[C@H]2CCC[NH2+]2)s1 258172094 573883734 /nfs/dbraw/zinc/88/37/34/573883734.db2.gz RMNAHZZAVACBDP-SSDOTTSWSA-N 1 3 197.307 0.896 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(O)C1 84422388 573883843 /nfs/dbraw/zinc/88/38/43/573883843.db2.gz ZXWJPTALPNEODN-SEZDTBSWSA-N 1 3 184.283 0.227 10 0 ACAEHO COCCN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 144940311 573890081 /nfs/dbraw/zinc/89/00/81/573890081.db2.gz BRABITSTNVWVQJ-ILWJIGKKSA-N 1 3 184.283 0.587 10 0 ACAEHO Cc1noc([C@H]2CCC[NH2+]2)c1CN 257894708 573889432 /nfs/dbraw/zinc/88/94/32/573889432.db2.gz NXOPFASFXGHQCK-MRVPVSSYSA-N 1 3 181.239 0.866 10 0 ACAEHO CN1CC[C@@H](NCC2(C[NH3+])CC2)C1 258987628 573889588 /nfs/dbraw/zinc/88/95/88/573889588.db2.gz VGKDBEADRYGBNZ-SECBINFHSA-N 1 3 183.299 0.019 10 0 ACAEHO CN1CC[C@@H]([NH2+]CC2(CN)CC2)C1 258987628 573889592 /nfs/dbraw/zinc/88/95/92/573889592.db2.gz VGKDBEADRYGBNZ-SECBINFHSA-N 1 3 183.299 0.019 10 0 ACAEHO C[C@H]([NH3+])c1ccc(CN)[nH]1 258445660 573894943 /nfs/dbraw/zinc/89/49/43/573894943.db2.gz FLPPXHBEYHOEBJ-YFKPBYRVSA-N 1 3 139.202 0.493 10 0 ACAEHO CC[N@@H+]1CC[C@H](c2cc(CN)[nH]n2)C1 259223821 573895279 /nfs/dbraw/zinc/89/52/79/573895279.db2.gz LXMIYTZKZCBAPT-QMMMGPOBSA-N 1 3 194.282 0.678 10 0 ACAEHO CC[N@H+]1CC[C@H](c2cc(CN)[nH]n2)C1 259223821 573895291 /nfs/dbraw/zinc/89/52/91/573895291.db2.gz LXMIYTZKZCBAPT-QMMMGPOBSA-N 1 3 194.282 0.678 10 0 ACAEHO C[C@@H]([NH3+])c1ccc(CN)[nH]1 258445659 573895346 /nfs/dbraw/zinc/89/53/46/573895346.db2.gz FLPPXHBEYHOEBJ-RXMQYKEDSA-N 1 3 139.202 0.493 10 0 ACAEHO Cc1ccsc1CNC[C@@H](N)C[NH3+] 258991071 573895423 /nfs/dbraw/zinc/89/54/23/573895423.db2.gz MNOBAIOAUMEZGT-QMMMGPOBSA-N 1 3 199.323 0.432 10 0 ACAEHO Cc1ccsc1CNC[C@@H]([NH3+])CN 258991071 573895428 /nfs/dbraw/zinc/89/54/28/573895428.db2.gz MNOBAIOAUMEZGT-QMMMGPOBSA-N 1 3 199.323 0.432 10 0 ACAEHO Cn1ccnc1NCC1CC([NH3+])C1 84447942 573895460 /nfs/dbraw/zinc/89/54/60/573895460.db2.gz BFABIZSSQGQXCA-UHFFFAOYSA-N 1 3 180.255 0.569 10 0 ACAEHO OC1CC(C[NH2+]C2CCNCC2)C1 84447082 573895520 /nfs/dbraw/zinc/89/55/20/573895520.db2.gz MBTKUBVYHVCGFX-UHFFFAOYSA-N 1 3 184.283 0.099 10 0 ACAEHO OC1CC(CNC2CC[NH2+]CC2)C1 84447082 573895525 /nfs/dbraw/zinc/89/55/25/573895525.db2.gz MBTKUBVYHVCGFX-UHFFFAOYSA-N 1 3 184.283 0.099 10 0 ACAEHO C[NH2+][C@@H](C(C)C)[C@@H](C)CN 259228031 573895607 /nfs/dbraw/zinc/89/56/07/573895607.db2.gz FKJRIABVPDDGFT-YUMQZZPRSA-N 1 3 144.262 0.825 10 0 ACAEHO C[C@@H]([NH2+][C@H]1CCCOCC1)C1CNC1 686251098 573895655 /nfs/dbraw/zinc/89/56/55/573895655.db2.gz DOKWUTBVAHZPKZ-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](CN)[C@H]([NH3+])C(C)(C)C 259224546 573895675 /nfs/dbraw/zinc/89/56/75/573895675.db2.gz GZAKQMGRXCXUDH-RQJHMYQMSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@H](C[NH3+])[C@H](N)C(C)(C)C 259224546 573895681 /nfs/dbraw/zinc/89/56/81/573895681.db2.gz GZAKQMGRXCXUDH-RQJHMYQMSA-N 1 3 144.262 0.955 10 0 ACAEHO CC[N@@H+]1CC[C@@H](c2cc(CN)[nH]n2)C1 259223818 573895838 /nfs/dbraw/zinc/89/58/38/573895838.db2.gz LXMIYTZKZCBAPT-MRVPVSSYSA-N 1 3 194.282 0.678 10 0 ACAEHO CC[N@H+]1CC[C@@H](c2cc(CN)[nH]n2)C1 259223818 573895842 /nfs/dbraw/zinc/89/58/42/573895842.db2.gz LXMIYTZKZCBAPT-MRVPVSSYSA-N 1 3 194.282 0.678 10 0 ACAEHO CC1([C@](C)(N)C[NH3+])CC1 87363661 573895852 /nfs/dbraw/zinc/89/58/52/573895852.db2.gz XLZNSQAJGGTLHQ-SSDOTTSWSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@]1(CNC[C@H]2CC[NH2+]C2)CCOC1 397331275 573896154 /nfs/dbraw/zinc/89/61/54/573896154.db2.gz ZKGBDWPIJHWWFW-QWRGUYRKSA-N 1 3 198.310 0.612 10 0 ACAEHO CN1CCC[C@H](C[C@H](O)C[NH3+])C1 76599465 573896172 /nfs/dbraw/zinc/89/61/72/573896172.db2.gz JWWOJJTYPDHABN-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO NCC1([C@H]([NH3+])C2CCOCC2)CC1 259578447 573896661 /nfs/dbraw/zinc/89/66/61/573896661.db2.gz WAGDISSQQSKHMC-SECBINFHSA-N 1 3 184.283 0.479 10 0 ACAEHO CN(C)CCOC1CC([NH3+])C1 84451082 573898000 /nfs/dbraw/zinc/89/80/00/573898000.db2.gz IVWUZFOGJQLDAZ-UHFFFAOYSA-N 1 3 158.245 0.054 10 0 ACAEHO CN1CCCNCCC[NH2+]CCC1 102314108 573898039 /nfs/dbraw/zinc/89/80/39/573898039.db2.gz FVJJNHIHGONSTE-UHFFFAOYSA-N 1 3 185.315 0.281 10 0 ACAEHO NC[C@H](F)C[C@@H]1CCC[NH2+]C1 258443222 573898137 /nfs/dbraw/zinc/89/81/37/573898137.db2.gz FEWAMTRNZDVPDA-JGVFFNPUSA-N 1 3 160.236 0.673 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCCOCC1)C1CNC1 686251096 573898165 /nfs/dbraw/zinc/89/81/65/573898165.db2.gz DOKWUTBVAHZPKZ-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H](CN)[C@@H]([NH3+])C(C)(C)C 259224541 573898295 /nfs/dbraw/zinc/89/82/95/573898295.db2.gz GZAKQMGRXCXUDH-NKWVEPMBSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](N)C(C)(C)C 259224541 573898303 /nfs/dbraw/zinc/89/83/03/573898303.db2.gz GZAKQMGRXCXUDH-NKWVEPMBSA-N 1 3 144.262 0.955 10 0 ACAEHO CN(C)CCOC1CC(C[NH3+])C1 84450402 573900435 /nfs/dbraw/zinc/90/04/35/573900435.db2.gz RSKFZLAMAWAXSX-UHFFFAOYSA-N 1 3 172.272 0.302 10 0 ACAEHO NC[C@@H](F)C[C@H]1CCC[NH2+]C1 258443226 573900488 /nfs/dbraw/zinc/90/04/88/573900488.db2.gz FEWAMTRNZDVPDA-SFYZADRCSA-N 1 3 160.236 0.673 10 0 ACAEHO Cc1ccc([C@H]([NH3+])[C@@H](O)CN)cc1C 259226055 573900782 /nfs/dbraw/zinc/90/07/82/573900782.db2.gz FJDLALFJYMGQJH-QWRGUYRKSA-N 1 3 194.278 0.623 10 0 ACAEHO NC[C@@H](F)C[C@@H]1CCC[NH2+]C1 258443231 573900921 /nfs/dbraw/zinc/90/09/21/573900921.db2.gz FEWAMTRNZDVPDA-YUMQZZPRSA-N 1 3 160.236 0.673 10 0 ACAEHO C[NH2+][C@H]([C@H]1CCN(C)C1)C(C)(C)CN 259230163 573901999 /nfs/dbraw/zinc/90/19/99/573901999.db2.gz GKHLOILYAKTXOW-VHSXEESVSA-N 1 3 199.342 0.511 10 0 ACAEHO CN1CC[C@H](NCC[NH2+]C2CC2)C1 258997984 573902034 /nfs/dbraw/zinc/90/20/34/573902034.db2.gz WKHAQUKYUSPEGM-JTQLQIEISA-N 1 3 183.299 0.032 10 0 ACAEHO C[NH2+][C@H](C(C)C)[C@H](C)CN 259226279 573902042 /nfs/dbraw/zinc/90/20/42/573902042.db2.gz FKJRIABVPDDGFT-HTQZYQBOSA-N 1 3 144.262 0.825 10 0 ACAEHO Cc1ccc([C@H]([NH3+])[C@H](O)CN)cc1C 259226051 573902113 /nfs/dbraw/zinc/90/21/13/573902113.db2.gz FJDLALFJYMGQJH-MNOVXSKESA-N 1 3 194.278 0.623 10 0 ACAEHO C[NH2+][C@@H]([C@@H]1CCN(C)C1)C(C)(C)CN 259230165 573902219 /nfs/dbraw/zinc/90/22/19/573902219.db2.gz GKHLOILYAKTXOW-ZJUUUORDSA-N 1 3 199.342 0.511 10 0 ACAEHO Cc1ccc([C@@H]([NH3+])[C@H](O)CN)cc1C 259226047 573902249 /nfs/dbraw/zinc/90/22/49/573902249.db2.gz FJDLALFJYMGQJH-GHMZBOCLSA-N 1 3 194.278 0.623 10 0 ACAEHO CO[C@@]1(C[NH3+])CCCN(C(C)C)C1 257902682 573902310 /nfs/dbraw/zinc/90/23/10/573902310.db2.gz PBDYEQSMTKCCRI-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](C[NH3+])[C@]1(F)CCN(C)C1 258450277 573904247 /nfs/dbraw/zinc/90/42/47/573904247.db2.gz FXYQYFIHPCZUPH-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@H](C[NH3+])[C@@]1(F)CCN(C)C1 258450273 573904323 /nfs/dbraw/zinc/90/43/23/573904323.db2.gz FXYQYFIHPCZUPH-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@H]1CC[N@H+](C)C[C@@H](CCO)N1 251811304 573904946 /nfs/dbraw/zinc/90/49/46/573904946.db2.gz YVCVGEFFVUYNSX-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@H]1CC[N@@H+](C)C[C@@H](CCO)N1 251811304 573904951 /nfs/dbraw/zinc/90/49/51/573904951.db2.gz YVCVGEFFVUYNSX-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO CN(C)C[C@@]1(F)CC[C@H]([NH3+])C1 258450178 573906907 /nfs/dbraw/zinc/90/69/07/573906907.db2.gz FSEQANURTJQCOL-JGVFFNPUSA-N 1 3 160.236 0.768 10 0 ACAEHO CCCN(CC[NH3+])CCN(C)C 44376571 573906470 /nfs/dbraw/zinc/90/64/70/573906470.db2.gz NVNWMALXEQDRJP-UHFFFAOYSA-N 1 3 173.304 0.219 10 0 ACAEHO CN(C)C[C@]1(F)CC[C@H]([NH3+])C1 258450181 573906767 /nfs/dbraw/zinc/90/67/67/573906767.db2.gz FSEQANURTJQCOL-YUMQZZPRSA-N 1 3 160.236 0.768 10 0 ACAEHO CN(C)C[C@@]1(F)CC[C@@H]([NH3+])C1 258450176 573906828 /nfs/dbraw/zinc/90/68/28/573906828.db2.gz FSEQANURTJQCOL-HTQZYQBOSA-N 1 3 160.236 0.768 10 0 ACAEHO CN(C)CCS[C@@H]1CC[NH2+]C1 87417192 573906860 /nfs/dbraw/zinc/90/68/60/573906860.db2.gz RPVGBJFJXUIZGD-MRVPVSSYSA-N 1 3 174.313 0.643 10 0 ACAEHO CN(C)CCSC1C[NH2+]C1 87417170 573906873 /nfs/dbraw/zinc/90/68/73/573906873.db2.gz HHZALGIWGVQTOF-UHFFFAOYSA-N 1 3 160.286 0.253 10 0 ACAEHO C[N@H+](CC[C@@H]1CNCCO1)C1CCC1 127545787 573908467 /nfs/dbraw/zinc/90/84/67/573908467.db2.gz SRIMQJPPOCPTNK-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@@H+](CC[C@@H]1CNCCO1)C1CCC1 127545787 573908471 /nfs/dbraw/zinc/90/84/71/573908471.db2.gz SRIMQJPPOCPTNK-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@@H+]1CCC[C@]2(CC1)CNCCO2 76629284 573908483 /nfs/dbraw/zinc/90/84/83/573908483.db2.gz MUQNKGSTLNYLIK-JTQLQIEISA-N 1 3 184.283 0.461 10 0 ACAEHO C[N@H+]1CCC[C@]2(CC1)CNCCO2 76629284 573908484 /nfs/dbraw/zinc/90/84/84/573908484.db2.gz MUQNKGSTLNYLIK-JTQLQIEISA-N 1 3 184.283 0.461 10 0 ACAEHO CCCN1CCN(CC[NH2+]CC)CC1 44380398 573908841 /nfs/dbraw/zinc/90/88/41/573908841.db2.gz HCJNVBXWMHCNQR-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO C[C@H]1C[C@]2(CC[N@@H+]1C)CNCCO2 76629306 573908889 /nfs/dbraw/zinc/90/88/89/573908889.db2.gz GSKVZIICXWDHGW-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]1C[C@]2(CC[N@H+]1C)CNCCO2 76629306 573908894 /nfs/dbraw/zinc/90/88/94/573908894.db2.gz GSKVZIICXWDHGW-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[C@@](O)(C[NH3+])[C@@H]1CCCCN1 123046210 573909000 /nfs/dbraw/zinc/90/90/00/573909000.db2.gz ZIJUJGRKHWBGTK-DTWKUNHWSA-N 1 3 172.272 0.228 10 0 ACAEHO C[C@H]1C[C@@]2(CC[N@@H+]1C)CNCCO2 76629297 573909111 /nfs/dbraw/zinc/90/91/11/573909111.db2.gz GSKVZIICXWDHGW-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]1C[C@@]2(CC[N@H+]1C)CNCCO2 76629297 573909120 /nfs/dbraw/zinc/90/91/20/573909120.db2.gz GSKVZIICXWDHGW-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO COCC[C@@H](N)C[N@H+](C)C1CCC1 127550899 573909122 /nfs/dbraw/zinc/90/91/22/573909122.db2.gz MVZVTJNJTMENCG-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[C@@H](N)C[N@@H+](C)C1CCC1 127550899 573909130 /nfs/dbraw/zinc/90/91/30/573909130.db2.gz MVZVTJNJTMENCG-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@H](CCN)[C@H](O)C1 76631938 573909148 /nfs/dbraw/zinc/90/91/48/573909148.db2.gz GAJPWXHVEPDYBP-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@H](CCN)[C@H](O)C1 76631938 573909153 /nfs/dbraw/zinc/90/91/53/573909153.db2.gz GAJPWXHVEPDYBP-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO CCC[NH2+]C[C@@]1(F)CCNC1 258454908 573909213 /nfs/dbraw/zinc/90/92/13/573909213.db2.gz GKDNIDXCKRARDO-QMMMGPOBSA-N 1 3 160.236 0.688 10 0 ACAEHO CC[C@](O)(C[NH3+])[C@@H]1CCCCN1 123046341 573909899 /nfs/dbraw/zinc/90/98/99/573909899.db2.gz ZIJUJGRKHWBGTK-IUCAKERBSA-N 1 3 172.272 0.228 10 0 ACAEHO C[NH+](C)[C@H](C1CCOCC1)C1CNC1 259228525 573910175 /nfs/dbraw/zinc/91/01/75/573910175.db2.gz ASWPJJJOKRMZMF-LLVKDONJSA-N 1 3 198.310 0.563 10 0 ACAEHO CN(C)[C@H](C1CCOCC1)C1C[NH2+]C1 259228525 573910179 /nfs/dbraw/zinc/91/01/79/573910179.db2.gz ASWPJJJOKRMZMF-LLVKDONJSA-N 1 3 198.310 0.563 10 0 ACAEHO [NH3+]Cc1cccc2c1CNCC2 258178421 573910211 /nfs/dbraw/zinc/91/02/11/573910211.db2.gz OOODMVWHCZTNJC-UHFFFAOYSA-N 1 3 162.236 0.791 10 0 ACAEHO C[C@@](F)(CN)C1=CC[NH2+]CC1 258454917 573910314 /nfs/dbraw/zinc/91/03/14/573910314.db2.gz GKIDQKPMLCMOLQ-MRVPVSSYSA-N 1 3 158.220 0.593 10 0 ACAEHO CCCN(CC[NH2+]C)CCN(C)C 44412532 573910326 /nfs/dbraw/zinc/91/03/26/573910326.db2.gz ABSWQUOFKAPXGL-UHFFFAOYSA-N 1 3 187.331 0.479 10 0 ACAEHO CCN1CCC[C@@H]1C1([NH3+])CC1 258179002 573910577 /nfs/dbraw/zinc/91/05/77/573910577.db2.gz XZBZXOYJYVUTCM-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO CCC[NH2+]CCN1CCCN(C)CC1 44380545 573910806 /nfs/dbraw/zinc/91/08/06/573910806.db2.gz RFNSVFVWUCNTSL-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO C[NH2+]C[C@@H](CN)C1CC1 258454402 573910968 /nfs/dbraw/zinc/91/09/68/573910968.db2.gz XOFIOXYWMZHCHM-SSDOTTSWSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]1C[C@]2(CC[N@@H+]1C)CNCCO2 76629301 573910980 /nfs/dbraw/zinc/91/09/80/573910980.db2.gz GSKVZIICXWDHGW-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1C[C@]2(CC[N@H+]1C)CNCCO2 76629301 573910984 /nfs/dbraw/zinc/91/09/84/573910984.db2.gz GSKVZIICXWDHGW-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH2+][C@H](C1CCCC1)C1CNC1 259580557 573911119 /nfs/dbraw/zinc/91/11/19/573911119.db2.gz XFAFGEDJXPHOOP-SNVBAGLBSA-N 1 3 168.284 0.984 10 0 ACAEHO COCC[C@H](N)C[N@H+](C)C1CCC1 127551121 573911210 /nfs/dbraw/zinc/91/12/10/573911210.db2.gz MVZVTJNJTMENCG-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[C@H](N)C[N@@H+](C)C1CCC1 127551121 573911214 /nfs/dbraw/zinc/91/12/14/573911214.db2.gz MVZVTJNJTMENCG-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CC12CC3(N)CC1(C)CC3([NH3+])C2 238183252 573911257 /nfs/dbraw/zinc/91/12/57/573911257.db2.gz ZZYUQKXAVQHWCN-UHFFFAOYSA-N 1 3 166.268 0.995 10 0 ACAEHO C[NH+](C)[C@@H](C1CCOCC1)C1CNC1 259228526 573911288 /nfs/dbraw/zinc/91/12/88/573911288.db2.gz ASWPJJJOKRMZMF-NSHDSACASA-N 1 3 198.310 0.563 10 0 ACAEHO CN(C)[C@@H](C1CCOCC1)C1C[NH2+]C1 259228526 573911293 /nfs/dbraw/zinc/91/12/93/573911293.db2.gz ASWPJJJOKRMZMF-NSHDSACASA-N 1 3 198.310 0.563 10 0 ACAEHO CN(C)CCS[C@H]1CC[NH2+]C1 87417193 573911465 /nfs/dbraw/zinc/91/14/65/573911465.db2.gz RPVGBJFJXUIZGD-QMMMGPOBSA-N 1 3 174.313 0.643 10 0 ACAEHO C[C@](F)(CN)C1=CC[NH2+]CC1 258454919 573913575 /nfs/dbraw/zinc/91/35/75/573913575.db2.gz GKIDQKPMLCMOLQ-QMMMGPOBSA-N 1 3 158.220 0.593 10 0 ACAEHO CCC[NH2+]C[C@]1(F)CCNC1 258454906 573912966 /nfs/dbraw/zinc/91/29/66/573912966.db2.gz GKDNIDXCKRARDO-MRVPVSSYSA-N 1 3 160.236 0.688 10 0 ACAEHO NC[C@H]([NH3+])CNCc1cccc(F)c1 259235881 573913133 /nfs/dbraw/zinc/91/31/33/573913133.db2.gz YGBQRTLLQVNQBH-JTQLQIEISA-N 1 3 197.257 0.201 10 0 ACAEHO C1C[C@@H](CN[C@H]2CCSC2)C[NH2+]1 257899311 573916446 /nfs/dbraw/zinc/91/64/46/573916446.db2.gz OPUXFMIIRHHSLL-BDAKNGLRSA-N 1 3 186.324 0.691 10 0 ACAEHO C[NH2+][C@H]1COC[C@@H]1CN(C)C1CCC1 127558758 573916821 /nfs/dbraw/zinc/91/68/21/573916821.db2.gz AAZXMCADCOBLAD-ONGXEEELSA-N 1 3 198.310 0.705 10 0 ACAEHO C[N@@H+]1CCC[C@H]1[C@H]1C[C@@H]1N 259236589 573916981 /nfs/dbraw/zinc/91/69/81/573916981.db2.gz KNICKJKOPVWFGJ-FXQIFTODSA-N 1 3 140.230 0.428 10 0 ACAEHO C[N@H+]1CCC[C@H]1[C@H]1C[C@@H]1N 259236589 573916990 /nfs/dbraw/zinc/91/69/90/573916990.db2.gz KNICKJKOPVWFGJ-FXQIFTODSA-N 1 3 140.230 0.428 10 0 ACAEHO C1C[C@H](CN[C@@H]2CCSC2)C[NH2+]1 257899313 573917097 /nfs/dbraw/zinc/91/70/97/573917097.db2.gz OPUXFMIIRHHSLL-DTWKUNHWSA-N 1 3 186.324 0.691 10 0 ACAEHO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCN(C)C2)OC1 258455971 573917185 /nfs/dbraw/zinc/91/71/85/573917185.db2.gz KHTUMSLBWAJVRF-GMTAPVOTSA-N 1 3 198.310 0.910 10 0 ACAEHO CC(C)(C)CNCN1CC[NH2+]CC1 259008458 573917304 /nfs/dbraw/zinc/91/73/04/573917304.db2.gz ZYIWWKRFALVRPK-UHFFFAOYSA-N 1 3 185.315 0.485 10 0 ACAEHO C1C[C@@H](CN[C@@H]2CCSC2)C[NH2+]1 257899316 573918561 /nfs/dbraw/zinc/91/85/61/573918561.db2.gz OPUXFMIIRHHSLL-RKDXNWHRSA-N 1 3 186.324 0.691 10 0 ACAEHO C[NH2+][C@@H]1COC[C@H]1CN(C)C1CCC1 127558960 573918666 /nfs/dbraw/zinc/91/86/66/573918666.db2.gz AAZXMCADCOBLAD-MWLCHTKSSA-N 1 3 198.310 0.705 10 0 ACAEHO CN1CCC[C@@H]1[C@H]1C[NH2+][C@@H](CO)C1 258180739 573918679 /nfs/dbraw/zinc/91/86/79/573918679.db2.gz MADZCIZZMXZWFH-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C1C[C@H](CN[C@H]2CCSC2)C[NH2+]1 257899315 573918737 /nfs/dbraw/zinc/91/87/37/573918737.db2.gz OPUXFMIIRHHSLL-IUCAKERBSA-N 1 3 186.324 0.691 10 0 ACAEHO CC[NH2+]CCN(C)[C@@H]1CCN(C)C1 259006588 573920614 /nfs/dbraw/zinc/92/06/14/573920614.db2.gz XHPCDVZSWCQFQQ-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO COCCCC[NH2+]C1CCNCC1 44658153 573920648 /nfs/dbraw/zinc/92/06/48/573920648.db2.gz CHCKCQGCDCQJAM-UHFFFAOYSA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@@H]([NH2+]CC1CSC1)C1CNC1 686251257 573920657 /nfs/dbraw/zinc/92/06/57/573920657.db2.gz JDVVWUHHHLBIJO-SSDOTTSWSA-N 1 3 186.324 0.547 10 0 ACAEHO COCCCCN[C@@H]1CCC[NH2+]C1 44658360 573920943 /nfs/dbraw/zinc/92/09/43/573920943.db2.gz DQKCGGDDHIDRNI-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO NCc1ccccc1[C@@]1(O)CC[NH2+]C1 257900492 573922172 /nfs/dbraw/zinc/92/21/72/573922172.db2.gz YSBVSQNWVAZFKX-LLVKDONJSA-N 1 3 192.262 0.326 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1N1CCCN(C)CC1 123073988 573922208 /nfs/dbraw/zinc/92/22/08/573922208.db2.gz XJKWZRUAYURFII-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CO[C@@](C)(CNCC1C[NH2+]C1)C1CC1 308464094 573922283 /nfs/dbraw/zinc/92/22/83/573922283.db2.gz FLILMNFPDLHWIG-NSHDSACASA-N 1 3 198.310 0.611 10 0 ACAEHO CO[C@@](C)(C[NH2+]CC1CNC1)C1CC1 308464094 573922288 /nfs/dbraw/zinc/92/22/88/573922288.db2.gz FLILMNFPDLHWIG-NSHDSACASA-N 1 3 198.310 0.611 10 0 ACAEHO COC1CC(NC[C@@H]([NH3+])CC2CC2)C1 308463805 573922499 /nfs/dbraw/zinc/92/24/99/573922499.db2.gz HAVHANFIVTZSPD-WHXUTIOJSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC(NC[C@H]([NH3+])CC2CC2)C1 308463804 573922794 /nfs/dbraw/zinc/92/27/94/573922794.db2.gz HAVHANFIVTZSPD-KPPDAEKUSA-N 1 3 198.310 0.881 10 0 ACAEHO CN1CCC[C@@H](C2([NH3+])CC(C)(O)C2)C1 258182318 573923493 /nfs/dbraw/zinc/92/34/93/573923493.db2.gz VEQPABAQSOAWFH-KPPDAEKUSA-N 1 3 198.310 0.571 10 0 ACAEHO CN1CCC[C@H](C2([NH3+])CC(C)(O)C2)C1 258182321 573923554 /nfs/dbraw/zinc/92/35/54/573923554.db2.gz VEQPABAQSOAWFH-WHXUTIOJSA-N 1 3 198.310 0.571 10 0 ACAEHO CN1CCC[C@H]([C@H]([NH3+])CCCO)C1 215021296 573930648 /nfs/dbraw/zinc/93/06/48/573930648.db2.gz FBKJLRCJNYTVQV-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO Nc1cc(OCCC[NH3+])ccn1 222652661 573930674 /nfs/dbraw/zinc/93/06/74/573930674.db2.gz UQXCOGPYVVLCST-UHFFFAOYSA-N 1 3 167.212 0.391 10 0 ACAEHO NCC1(C[NH3+])CC2(CC2)C1 259241359 573930025 /nfs/dbraw/zinc/93/00/25/573930025.db2.gz KQOMCCJBGDMVFQ-UHFFFAOYSA-N 1 3 140.230 0.464 10 0 ACAEHO CN1CCC[C@@H]([C@H]([NH3+])CCCO)C1 215021344 573930430 /nfs/dbraw/zinc/93/04/30/573930430.db2.gz FBKJLRCJNYTVQV-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO COC[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH3+])C1 81051475 573930451 /nfs/dbraw/zinc/93/04/51/573930451.db2.gz LFHGCNUFPVIXGU-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C)[C@@H]1C 259243460 573931876 /nfs/dbraw/zinc/93/18/76/573931876.db2.gz LULRSIFBVPRBIJ-HTQZYQBOSA-N 1 3 142.246 0.546 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C)[C@H]1C 259243464 573933087 /nfs/dbraw/zinc/93/30/87/573933087.db2.gz LULRSIFBVPRBIJ-JGVFFNPUSA-N 1 3 142.246 0.546 10 0 ACAEHO CCC[C@@H](C[C@@H]1CNCCO1)[NH2+]C 259585932 573933255 /nfs/dbraw/zinc/93/32/55/573933255.db2.gz XMLOGUDGDZZWPP-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO CCC[C@H](C[C@H]1CNCCO1)[NH2+]C 259585933 573933530 /nfs/dbraw/zinc/93/35/30/573933530.db2.gz XMLOGUDGDZZWPP-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO Cc1[nH]c(N)[nH+]c1[C@H]1CCN(C)C1 259243802 573933552 /nfs/dbraw/zinc/93/35/52/573933552.db2.gz SOXZYYDLDCSHRQ-ZETCQYMHSA-N 1 3 180.255 0.719 10 0 ACAEHO CC[C@@H]([NH3+])CCN1CCN(CC)CC1 127770484 573936507 /nfs/dbraw/zinc/93/65/07/573936507.db2.gz QJSQMTOHYLOECR-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CO[C@@H]1CCC[C@H](N2CC(C[NH3+])C2)C1 84987649 573937265 /nfs/dbraw/zinc/93/72/65/573937265.db2.gz XGMBQMIOZOIJKI-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CCC[C@H]([NH+]2CC(CN)C2)C1 84987649 573937269 /nfs/dbraw/zinc/93/72/69/573937269.db2.gz XGMBQMIOZOIJKI-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@@H](C)CN1CC(C[NH3+])C1 84987733 573936719 /nfs/dbraw/zinc/93/67/19/573936719.db2.gz WNSVSCTZCKYVLV-MRVPVSSYSA-N 1 3 156.273 0.923 10 0 ACAEHO CO[C@H]1CCC[C@H](N2CC(C[NH3+])C2)C1 84987651 573936808 /nfs/dbraw/zinc/93/68/08/573936808.db2.gz XGMBQMIOZOIJKI-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1CCC[C@H]([NH+]2CC(CN)C2)C1 84987651 573936812 /nfs/dbraw/zinc/93/68/12/573936812.db2.gz XGMBQMIOZOIJKI-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO [NH3+]CC1CN(CC2CCC2)C1 84988029 573936918 /nfs/dbraw/zinc/93/69/18/573936918.db2.gz LGEPFLGSWGTBIK-UHFFFAOYSA-N 1 3 154.257 0.677 10 0 ACAEHO NCC1C[NH+](CC2CCC2)C1 84988029 573936921 /nfs/dbraw/zinc/93/69/21/573936921.db2.gz LGEPFLGSWGTBIK-UHFFFAOYSA-N 1 3 154.257 0.677 10 0 ACAEHO NC[C@@H]([NH3+])CNCc1cccs1 259021528 573937013 /nfs/dbraw/zinc/93/70/13/573937013.db2.gz OFSRREJFSFRMBQ-SSDOTTSWSA-N 1 3 185.296 0.124 10 0 ACAEHO CC(C)CCN1CC(C[NH3+])C1 84987644 573937103 /nfs/dbraw/zinc/93/71/03/573937103.db2.gz QOCWIZJIUYNXAM-UHFFFAOYSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@](C[NH3+])(NCCO)C1CCC1 393598730 573938251 /nfs/dbraw/zinc/93/82/51/573938251.db2.gz NKUGGXDHKVTPJI-SECBINFHSA-N 1 3 172.272 0.086 10 0 ACAEHO NC[C@H]([NH3+])CNCc1cccs1 259021530 573938296 /nfs/dbraw/zinc/93/82/96/573938296.db2.gz OFSRREJFSFRMBQ-ZETCQYMHSA-N 1 3 185.296 0.124 10 0 ACAEHO [NH3+]CC1CN(CC2CCOCC2)C1 84988073 573938374 /nfs/dbraw/zinc/93/83/74/573938374.db2.gz DZCWLFHBUHVWBA-UHFFFAOYSA-N 1 3 184.283 0.304 10 0 ACAEHO CC[C@H]([NH3+])CCN1CCCN(C)CC1 127772642 573938621 /nfs/dbraw/zinc/93/86/21/573938621.db2.gz GKKYCLKNALJQRI-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO C[C@H](NC[C@@](C)(O)C1CC1)C1C[NH2+]C1 686251334 573938622 /nfs/dbraw/zinc/93/86/22/573938622.db2.gz LPRPGLVVFSTCME-GZMMTYOYSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)C1CNC1 686251334 573938627 /nfs/dbraw/zinc/93/86/27/573938627.db2.gz LPRPGLVVFSTCME-GZMMTYOYSA-N 1 3 198.310 0.345 10 0 ACAEHO CC[C@@H]([NH3+])CCN1CCCN(C)CC1 127772870 573938652 /nfs/dbraw/zinc/93/86/52/573938652.db2.gz GKKYCLKNALJQRI-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO C[C@H](CCC[NH3+])NCc1nncn1C 308468486 573938795 /nfs/dbraw/zinc/93/87/95/573938795.db2.gz ATBWQGCQHWCBMF-MRVPVSSYSA-N 1 3 197.286 0.032 10 0 ACAEHO C[C@@](C[NH3+])(NCCO)C1CCC1 393598732 573938923 /nfs/dbraw/zinc/93/89/23/573938923.db2.gz NKUGGXDHKVTPJI-VIFPVBQESA-N 1 3 172.272 0.086 10 0 ACAEHO CC[C@H](C)N1CC(C[NH3+])C1 84987701 573938977 /nfs/dbraw/zinc/93/89/77/573938977.db2.gz XNHAANKJUYUPCZ-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@H](C)[NH+]1CC(CN)C1 84987701 573938980 /nfs/dbraw/zinc/93/89/80/573938980.db2.gz XNHAANKJUYUPCZ-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](N[C@@H]1CO[C@H](C)[C@@H]1C)C1C[NH2+]C1 686251419 573940354 /nfs/dbraw/zinc/94/03/54/573940354.db2.gz HSJXKRVXJRSLLR-WYOJIJJFSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@@H]1C)C1CNC1 686251419 573940359 /nfs/dbraw/zinc/94/03/59/573940359.db2.gz HSJXKRVXJRSLLR-WYOJIJJFSA-N 1 3 198.310 0.607 10 0 ACAEHO CCCN1CCN([C@@H](C)[C@H](C)[NH3+])CC1 42373580 573939836 /nfs/dbraw/zinc/93/98/36/573939836.db2.gz QNRAOVIGEDKBTC-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+]CC1CN(C2CCCC2)C1 84987787 573939854 /nfs/dbraw/zinc/93/98/54/573939854.db2.gz MKEPIJDDBSUENF-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO CCC[C@@](O)(C[NH3+])[C@@H]1CCCCN1 123148065 573939891 /nfs/dbraw/zinc/93/98/91/573939891.db2.gz XCRNURYABOZMRQ-VHSXEESVSA-N 1 3 186.299 0.618 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N)C1)[C@@H]1CCOC1 222818634 573940011 /nfs/dbraw/zinc/94/00/11/573940011.db2.gz ZOWGLWIRRLZBTQ-LNFKQOIKSA-N 1 3 198.310 0.881 10 0 ACAEHO CC[N@@H+]1CC[C@@H](c2oncc2CN)C1 259246771 573942015 /nfs/dbraw/zinc/94/20/15/573942015.db2.gz NKAFAQQAGIMPHF-MRVPVSSYSA-N 1 3 195.266 0.943 10 0 ACAEHO CC[N@H+]1CC[C@@H](c2oncc2CN)C1 259246771 573942018 /nfs/dbraw/zinc/94/20/18/573942018.db2.gz NKAFAQQAGIMPHF-MRVPVSSYSA-N 1 3 195.266 0.943 10 0 ACAEHO CCCN1CCN([C@@H](C)[C@@H](C)[NH3+])CC1 42373578 573942155 /nfs/dbraw/zinc/94/21/55/573942155.db2.gz QNRAOVIGEDKBTC-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+]C[C@H]1C[C@H]1CNCc1ccoc1 715077094 573942291 /nfs/dbraw/zinc/94/22/91/573942291.db2.gz NIQWENLAXIXFDT-ZJUUUORDSA-N 1 3 180.251 0.964 10 0 ACAEHO CC[N@@H+]1CC[C@H](c2oncc2CN)C1 259246774 573942324 /nfs/dbraw/zinc/94/23/24/573942324.db2.gz NKAFAQQAGIMPHF-QMMMGPOBSA-N 1 3 195.266 0.943 10 0 ACAEHO CC[N@H+]1CC[C@H](c2oncc2CN)C1 259246774 573942328 /nfs/dbraw/zinc/94/23/28/573942328.db2.gz NKAFAQQAGIMPHF-QMMMGPOBSA-N 1 3 195.266 0.943 10 0 ACAEHO C[NH2+]CC[C@@H](N)C1CCOCC1 259246524 573942346 /nfs/dbraw/zinc/94/23/46/573942346.db2.gz HXSCWNJVBGKUNI-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO CNCC[C@@H]([NH3+])C1CCOCC1 259246524 573942348 /nfs/dbraw/zinc/94/23/48/573942348.db2.gz HXSCWNJVBGKUNI-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO CC[C@H]([NH3+])[C@H](CN)C(C)C 259247588 573942664 /nfs/dbraw/zinc/94/26/64/573942664.db2.gz GGKNQNGNXTVDNB-SFYZADRCSA-N 1 3 144.262 0.955 10 0 ACAEHO CNC[C@H](O)[C@@H]1CCCCC[NH2+]1 84992130 573942738 /nfs/dbraw/zinc/94/27/38/573942738.db2.gz HWRUISCQBZUKHM-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@H](O)[C@@H]1CCCCCN1 84992130 573942744 /nfs/dbraw/zinc/94/27/44/573942744.db2.gz HWRUISCQBZUKHM-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO [NH3+]C[C@H]1C[C@@H]1CNCc1ccoc1 715077084 573942760 /nfs/dbraw/zinc/94/27/60/573942760.db2.gz NIQWENLAXIXFDT-NXEZZACHSA-N 1 3 180.251 0.964 10 0 ACAEHO CC[NH2+]CCCN1CCCN(C)CC1 42409424 573943607 /nfs/dbraw/zinc/94/36/07/573943607.db2.gz MBVPZPUDUFCOEB-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO CCCN1CCN([C@H](C)[C@@H](C)[NH3+])CC1 42373579 573942952 /nfs/dbraw/zinc/94/29/52/573942952.db2.gz QNRAOVIGEDKBTC-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCNC[C@H]1C[C@@H](OC)C[NH2+]1 40637586 573943159 /nfs/dbraw/zinc/94/31/59/573943159.db2.gz VVKGZHUUUCYRJI-RKDXNWHRSA-N 1 3 172.272 0.363 10 0 ACAEHO [NH3+]C[C@@H]1C[C@@H]1CNCc1ccoc1 715077091 573943222 /nfs/dbraw/zinc/94/32/22/573943222.db2.gz NIQWENLAXIXFDT-VHSXEESVSA-N 1 3 180.251 0.964 10 0 ACAEHO CCCNC[C@H]1C[C@H](OC)C[NH2+]1 40637584 573943490 /nfs/dbraw/zinc/94/34/90/573943490.db2.gz VVKGZHUUUCYRJI-BDAKNGLRSA-N 1 3 172.272 0.363 10 0 ACAEHO CCCCNC[C@@H]1C[C@H](OC)C[NH2+]1 40637631 573944490 /nfs/dbraw/zinc/94/44/90/573944490.db2.gz ZEVKCHVRVIPODP-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO CC(C)(C)NC[C@H](O)[C@@H]1CCC[NH2+]1 84994650 573944682 /nfs/dbraw/zinc/94/46/82/573944682.db2.gz IIBZWXLPKCHNOA-IUCAKERBSA-N 1 3 186.299 0.487 10 0 ACAEHO CN(C[C@H](O)C[NH3+])CC(C)(C)C 45072022 573944996 /nfs/dbraw/zinc/94/49/96/573944996.db2.gz ISQVOWFZCZFJAU-MRVPVSSYSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@](O)(CC[NH3+])c1cnccc1N 84996978 573946075 /nfs/dbraw/zinc/94/60/75/573946075.db2.gz YTUOWSQIHHZKTH-VIFPVBQESA-N 1 3 181.239 0.220 10 0 ACAEHO CO[C@@H]1CN(CCC(N)=[NH2+])CC[C@H]1C 299914648 573945525 /nfs/dbraw/zinc/94/55/25/573945525.db2.gz QMLZZLYKPAULPS-RKDXNWHRSA-N 1 3 199.298 0.669 10 0 ACAEHO CC(C)[NH2+]CCN[C@H]1CCCN(C)C1 259025005 573945605 /nfs/dbraw/zinc/94/56/05/573945605.db2.gz ZDBMIQSWJNGTEV-NSHDSACASA-N 1 3 199.342 0.668 10 0 ACAEHO COC1(C)CCN(CCC(N)=[NH2+])CC1 308470747 573945623 /nfs/dbraw/zinc/94/56/23/573945623.db2.gz HXLZOVQAHQSYNU-UHFFFAOYSA-N 1 3 199.298 0.813 10 0 ACAEHO CC(C)[NH2+]CCN[C@@H]1CCCN(C)C1 259025003 573945746 /nfs/dbraw/zinc/94/57/46/573945746.db2.gz ZDBMIQSWJNGTEV-LLVKDONJSA-N 1 3 199.342 0.668 10 0 ACAEHO CCCCNC[C@H]1C[C@H](OC)C[NH2+]1 40637632 573947392 /nfs/dbraw/zinc/94/73/92/573947392.db2.gz ZEVKCHVRVIPODP-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO CC[C@]([NH3+])(CO)[C@H]1CCN(C)C1 215019449 573947449 /nfs/dbraw/zinc/94/74/49/573947449.db2.gz NXIHYRFPKKXVHO-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO [NH3+]C[C@@H]1C[C@H]1CNCc1ccoc1 715077087 573947055 /nfs/dbraw/zinc/94/70/55/573947055.db2.gz NIQWENLAXIXFDT-UWVGGRQHSA-N 1 3 180.251 0.964 10 0 ACAEHO CC[C@@H]([NH3+])[C@H](CN)C(C)C 259247583 573947126 /nfs/dbraw/zinc/94/71/26/573947126.db2.gz GGKNQNGNXTVDNB-HTQZYQBOSA-N 1 3 144.262 0.955 10 0 ACAEHO CCCCNC[C@H]1C[C@@H](OC)C[NH2+]1 40637634 573947144 /nfs/dbraw/zinc/94/71/44/573947144.db2.gz ZEVKCHVRVIPODP-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO CCOCCN(CC)C[C@@H](C)C[NH3+] 42442999 573951702 /nfs/dbraw/zinc/95/17/02/573951702.db2.gz CJMFWRMPNRSRPD-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CNC[C@@H](F)C[C@@H]1CC[NH2+]C1 257909831 573951157 /nfs/dbraw/zinc/95/11/57/573951157.db2.gz AIGOVNXSMDPYPT-YUMQZZPRSA-N 1 3 160.236 0.544 10 0 ACAEHO C[NH+](C)C[C@@H](O)CN[C@@H]1CC1(C)C 45119267 573951304 /nfs/dbraw/zinc/95/13/04/573951304.db2.gz BIHNFLZKEUTEPE-DTWKUNHWSA-N 1 3 186.299 0.297 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 85014312 573951490 /nfs/dbraw/zinc/95/14/90/573951490.db2.gz CJUJHFGUVJRBOM-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO CNC[C@H](F)C[C@H]1CC[NH2+]C1 257909825 573953263 /nfs/dbraw/zinc/95/32/63/573953263.db2.gz AIGOVNXSMDPYPT-HTQZYQBOSA-N 1 3 160.236 0.544 10 0 ACAEHO C[NH+](C)C[C@H](O)CN[C@@H]1CC1(C)C 45119271 573953540 /nfs/dbraw/zinc/95/35/40/573953540.db2.gz BIHNFLZKEUTEPE-RKDXNWHRSA-N 1 3 186.299 0.297 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](CN2CCOCC2)C1 85014241 573953543 /nfs/dbraw/zinc/95/35/43/573953543.db2.gz GKDOJCSFNDFOAJ-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO CCN(CCN(C)C)C[C@@H](C)C[NH3+] 42443579 573953677 /nfs/dbraw/zinc/95/36/77/573953677.db2.gz HHBPYXVUNPFRHD-JTQLQIEISA-N 1 3 187.331 0.465 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCN(C)C 42427399 573954008 /nfs/dbraw/zinc/95/40/08/573954008.db2.gz KLQMIBWTZLXXLK-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO COCCN1C[C@H](C[NH3+])CC[C@H]1C 42427302 573954054 /nfs/dbraw/zinc/95/40/54/573954054.db2.gz NNNIKLJRFMOIBY-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CCOC1CC(N[C@H](C)C2C[NH2+]C2)C1 686251488 573954550 /nfs/dbraw/zinc/95/45/50/573954550.db2.gz NANPQTCOUTVOIR-MFAVDMRSSA-N 1 3 198.310 0.751 10 0 ACAEHO CCOC1CC([NH2+][C@H](C)C2CNC2)C1 686251488 573954554 /nfs/dbraw/zinc/95/45/54/573954554.db2.gz NANPQTCOUTVOIR-MFAVDMRSSA-N 1 3 198.310 0.751 10 0 ACAEHO CN(C)C1([C@H]2CC[NH2+]C2)CC1 259249937 573954704 /nfs/dbraw/zinc/95/47/04/573954704.db2.gz LCUQBMGLFQIPIB-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO CCN(CCN(C)C)C[C@H](C)C[NH3+] 42443581 573954820 /nfs/dbraw/zinc/95/48/20/573954820.db2.gz HHBPYXVUNPFRHD-SNVBAGLBSA-N 1 3 187.331 0.465 10 0 ACAEHO CC[N@H+](CCCOC)C[C@@H](C)CN 42443070 573954937 /nfs/dbraw/zinc/95/49/37/573954937.db2.gz YCOVENUMELJZEP-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC[N@@H+](CCCOC)C[C@@H](C)CN 42443070 573954943 /nfs/dbraw/zinc/95/49/43/573954943.db2.gz YCOVENUMELJZEP-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CCN(CCCOC)C[C@@H](C)C[NH3+] 42443070 573954948 /nfs/dbraw/zinc/95/49/48/573954948.db2.gz YCOVENUMELJZEP-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO C[NH2+][C@H](C)[C@H](CN)C(C)C 259250368 573955002 /nfs/dbraw/zinc/95/50/02/573955002.db2.gz NRKCVKPTIRKRNG-HTQZYQBOSA-N 1 3 144.262 0.825 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@](C)(F)CN)C1 258461983 573955028 /nfs/dbraw/zinc/95/50/28/573955028.db2.gz HEECORQAVYUUFP-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@](C)(F)CN)C1 258461983 573955033 /nfs/dbraw/zinc/95/50/33/573955033.db2.gz HEECORQAVYUUFP-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCC[C@H]1CO)C1CNC1 686251497 573955072 /nfs/dbraw/zinc/95/50/72/573955072.db2.gz NBNMENNBPGYUSM-QXEWZRGKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](N[C@H]1CCC[C@H]1CO)C1C[NH2+]C1 686251497 573955074 /nfs/dbraw/zinc/95/50/74/573955074.db2.gz NBNMENNBPGYUSM-QXEWZRGKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@@](C)(F)CN)C1 258461986 573955121 /nfs/dbraw/zinc/95/51/21/573955121.db2.gz HEECORQAVYUUFP-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CC[C@H]([C@@](C)(F)CN)C1 258461986 573955128 /nfs/dbraw/zinc/95/51/28/573955128.db2.gz HEECORQAVYUUFP-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO CN1CC=C([C@@H](F)C[NH3+])CC1 258462078 573955160 /nfs/dbraw/zinc/95/51/60/573955160.db2.gz HGMCDNKXACYFBA-QMMMGPOBSA-N 1 3 158.220 0.545 10 0 ACAEHO C[NH2+][C@@H](C)[C@H](CN)C(C)C 259250369 573955161 /nfs/dbraw/zinc/95/51/61/573955161.db2.gz NRKCVKPTIRKRNG-JGVFFNPUSA-N 1 3 144.262 0.825 10 0 ACAEHO CN1CC=C([C@H](F)C[NH3+])CC1 258462075 573955204 /nfs/dbraw/zinc/95/52/04/573955204.db2.gz HGMCDNKXACYFBA-MRVPVSSYSA-N 1 3 158.220 0.545 10 0 ACAEHO C[C@@H](C[NH3+])[C@]1(F)CCCNC1 257911570 573955223 /nfs/dbraw/zinc/95/52/23/573955223.db2.gz AMDVWOZQASWNPD-YUMQZZPRSA-N 1 3 160.236 0.673 10 0 ACAEHO CCC1CC[NH+](C[C@@H](O)CN)CC1 42446572 573955246 /nfs/dbraw/zinc/95/52/46/573955246.db2.gz UVCSZFXZMYNWGM-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO CCC1CCN(C[C@@H](O)C[NH3+])CC1 42446572 573955251 /nfs/dbraw/zinc/95/52/51/573955251.db2.gz UVCSZFXZMYNWGM-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO CCCN(CCO)[C@@H](C)CC(N)=[NH2+] 42452862 573957190 /nfs/dbraw/zinc/95/71/90/573957190.db2.gz RRDSGFSUSKWUDY-QMMMGPOBSA-N 1 3 187.287 0.405 10 0 ACAEHO CCC[N@H+](CCO)[C@@H](C)CCN 42452600 573957269 /nfs/dbraw/zinc/95/72/69/573957269.db2.gz VEFPYDRAVGMTAJ-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CCC[N@@H+](CCO)[C@@H](C)CCN 42452600 573957272 /nfs/dbraw/zinc/95/72/72/573957272.db2.gz VEFPYDRAVGMTAJ-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(CCO)[C@@H](C)CC[NH3+] 42452600 573957276 /nfs/dbraw/zinc/95/72/76/573957276.db2.gz VEFPYDRAVGMTAJ-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@@H](N)CC[NH2+]C[C@H]1CCOC1 127881052 573957388 /nfs/dbraw/zinc/95/73/88/573957388.db2.gz LPRZWQGIMMWRAH-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO CCC[N@H+](CCO)[C@H](C)CCN 42452602 573957433 /nfs/dbraw/zinc/95/74/33/573957433.db2.gz VEFPYDRAVGMTAJ-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CCC[N@@H+](CCO)[C@H](C)CCN 42452602 573957436 /nfs/dbraw/zinc/95/74/36/573957436.db2.gz VEFPYDRAVGMTAJ-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(CCO)[C@H](C)CC[NH3+] 42452602 573957442 /nfs/dbraw/zinc/95/74/42/573957442.db2.gz VEFPYDRAVGMTAJ-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(CCO)CCC[NH2+]CC 42453238 573957458 /nfs/dbraw/zinc/95/74/58/573957458.db2.gz MOEXLYHWCVUAIN-UHFFFAOYSA-N 1 3 188.315 0.690 10 0 ACAEHO NCC[C@@H]([NH3+])C1CCC1 259251895 573957511 /nfs/dbraw/zinc/95/75/11/573957511.db2.gz IDJWAFNTLRWMOO-SSDOTTSWSA-N 1 3 128.219 0.463 10 0 ACAEHO NCC[C@H]([NH3+])C1CCC1 259251900 573957639 /nfs/dbraw/zinc/95/76/39/573957639.db2.gz IDJWAFNTLRWMOO-ZETCQYMHSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@H](C[NH3+])[C@@]1(F)CCCNC1 257911560 573957741 /nfs/dbraw/zinc/95/77/41/573957741.db2.gz AMDVWOZQASWNPD-JGVFFNPUSA-N 1 3 160.236 0.673 10 0 ACAEHO C[C@H](C[NH3+])CN(C)C[C@@H]1CCCO1 42463458 573959522 /nfs/dbraw/zinc/95/95/22/573959522.db2.gz YSVFCIQFXHFDJK-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]([NH3+])c1c[nH]c(CN)c1 257911520 573958636 /nfs/dbraw/zinc/95/86/36/573958636.db2.gz ALNQPGAXWNXUEV-RXMQYKEDSA-N 1 3 139.202 0.493 10 0 ACAEHO C[NH2+]CCCN[C@H]1CC1(C)C 45137813 573958845 /nfs/dbraw/zinc/95/88/45/573958845.db2.gz AWDAVADKDLZTSH-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@H](CN(C)CCN(C)C)C(N)=[NH2+] 42459686 573958939 /nfs/dbraw/zinc/95/89/39/573958939.db2.gz NTLCLUHXCJIARJ-MRVPVSSYSA-N 1 3 186.303 0.052 10 0 ACAEHO CC(C)N(CCC[NH3+])CCCO 42498859 573959015 /nfs/dbraw/zinc/95/90/15/573959015.db2.gz ZRDWIGWZYFAHAF-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CC(C)[N@H+](CCCN)CCCO 42498859 573959019 /nfs/dbraw/zinc/95/90/19/573959019.db2.gz ZRDWIGWZYFAHAF-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CC(C)[N@@H+](CCCN)CCCO 42498859 573959023 /nfs/dbraw/zinc/95/90/23/573959023.db2.gz ZRDWIGWZYFAHAF-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CNC2)C1 686251527 573959095 /nfs/dbraw/zinc/95/90/95/573959095.db2.gz NVULTVOSKOIWTP-FBIMIBRVSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1(CN[C@@H](C)C2C[NH2+]C2)CCC1 686251594 573959152 /nfs/dbraw/zinc/95/91/52/573959152.db2.gz QOYYWLAXUVKNDT-VIFPVBQESA-N 1 3 198.310 0.753 10 0 ACAEHO COC1(C[NH2+][C@@H](C)C2CNC2)CCC1 686251594 573959156 /nfs/dbraw/zinc/95/91/56/573959156.db2.gz QOYYWLAXUVKNDT-VIFPVBQESA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@H]([NH3+])CCNCCOC 127877605 573959169 /nfs/dbraw/zinc/95/91/69/573959169.db2.gz ZVNXGDOXPJPABF-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)CCOC 42458444 573959201 /nfs/dbraw/zinc/95/92/01/573959201.db2.gz RVUZAMRZGKBMST-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CC(C)[N@H+](CCCO)C[C@H](C)CN 42498886 573959230 /nfs/dbraw/zinc/95/92/30/573959230.db2.gz GPOIGBFSTCLVEX-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)[N@@H+](CCCO)C[C@H](C)CN 42498886 573959234 /nfs/dbraw/zinc/95/92/34/573959234.db2.gz GPOIGBFSTCLVEX-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)N(CCCO)C[C@H](C)C[NH3+] 42498886 573959237 /nfs/dbraw/zinc/95/92/37/573959237.db2.gz GPOIGBFSTCLVEX-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)[N@H+](CCCO)[C@@H](C)CCN 42499092 573959423 /nfs/dbraw/zinc/95/94/23/573959423.db2.gz VNVQCQYLDSSTLA-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)[N@@H+](CCCO)[C@@H](C)CCN 42499092 573959428 /nfs/dbraw/zinc/95/94/28/573959428.db2.gz VNVQCQYLDSSTLA-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)N(CCCO)[C@@H](C)CC[NH3+] 42499092 573959435 /nfs/dbraw/zinc/95/94/35/573959435.db2.gz VNVQCQYLDSSTLA-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H](CC[NH3+])N(C)C[C@@H]1CCCO1 42463488 573962300 /nfs/dbraw/zinc/96/23/00/573962300.db2.gz OSCUOVGIOHHLFL-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)[N@H+](CCCO)C[C@@H](C)CN 42498885 573962341 /nfs/dbraw/zinc/96/23/41/573962341.db2.gz GPOIGBFSTCLVEX-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)[N@@H+](CCCO)C[C@@H](C)CN 42498885 573962347 /nfs/dbraw/zinc/96/23/47/573962347.db2.gz GPOIGBFSTCLVEX-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)N(CCCO)C[C@@H](C)C[NH3+] 42498885 573962352 /nfs/dbraw/zinc/96/23/52/573962352.db2.gz GPOIGBFSTCLVEX-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@H]1CSCCN1C/C=C/C[NH3+] 85055162 573962530 /nfs/dbraw/zinc/96/25/30/573962530.db2.gz XJOMWYHFTMANSF-HPOULIHZSA-N 1 3 186.324 0.939 10 0 ACAEHO CC[C@H](CN)[N@H+](C)CCOC 42458698 573962591 /nfs/dbraw/zinc/96/25/91/573962591.db2.gz KWBRTYURNALLTQ-MRVPVSSYSA-N 1 3 160.261 0.302 10 0 ACAEHO CC[C@H](CN)[N@@H+](C)CCOC 42458698 573962593 /nfs/dbraw/zinc/96/25/93/573962593.db2.gz KWBRTYURNALLTQ-MRVPVSSYSA-N 1 3 160.261 0.302 10 0 ACAEHO C[C@H]1CN(C/C=C/C[NH3+])CCN1C 85055114 573962711 /nfs/dbraw/zinc/96/27/11/573962711.db2.gz DWAZQBALMMHNOE-FSIBCCDJSA-N 1 3 183.299 0.137 10 0 ACAEHO CC[C@@H](C[NH3+])C(=O)C1CCN(C)CC1 259252269 573962714 /nfs/dbraw/zinc/96/27/14/573962714.db2.gz WUQWPVMKJUYANR-VIFPVBQESA-N 1 3 198.310 0.882 10 0 ACAEHO C1CN[C@@H](C[C@@H]2CCC[NH2+]C2)OC1 258463469 573962763 /nfs/dbraw/zinc/96/27/63/573962763.db2.gz KOZUYPVSKGLZJO-VHSXEESVSA-N 1 3 184.283 0.712 10 0 ACAEHO C[C@@H]1CSCCN1C/C=C/C[NH3+] 85055160 573963014 /nfs/dbraw/zinc/96/30/14/573963014.db2.gz XJOMWYHFTMANSF-GKQMSVHHSA-N 1 3 186.324 0.939 10 0 ACAEHO COCCN(C1CC1)[C@H](C)CC[NH3+] 42517623 573967462 /nfs/dbraw/zinc/96/74/62/573967462.db2.gz OXKDITACZDXTOZ-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)N(CCCO)CCC(N)=[NH2+] 42508074 573967484 /nfs/dbraw/zinc/96/74/84/573967484.db2.gz FUZQBOUCEPQELG-UHFFFAOYSA-N 1 3 187.287 0.405 10 0 ACAEHO CC[C@H]([NH3+])CCNC[C@H]1CCCO1 127807492 573967649 /nfs/dbraw/zinc/96/76/49/573967649.db2.gz ADASWJJTLAJANJ-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CNC[C@@](C)(O)[C@H]1CCCC[NH2+]1 85075513 573967803 /nfs/dbraw/zinc/96/78/03/573967803.db2.gz JIHNYEGWGVQCJU-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@@](C)(O)[C@H]1CCCCN1 85075513 573967806 /nfs/dbraw/zinc/96/78/06/573967806.db2.gz JIHNYEGWGVQCJU-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO COC[C@@H](C)[N@H+](C)[C@@H](C)[C@@H](C)N 42518133 573967922 /nfs/dbraw/zinc/96/79/22/573967922.db2.gz RBCYXQLVSAJZTL-HLTSFMKQSA-N 1 3 174.288 0.689 10 0 ACAEHO COC[C@@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 42518133 573967927 /nfs/dbraw/zinc/96/79/27/573967927.db2.gz RBCYXQLVSAJZTL-HLTSFMKQSA-N 1 3 174.288 0.689 10 0 ACAEHO C[NH2+]C[C@@H](CN)C1CCOCC1 258193172 573969278 /nfs/dbraw/zinc/96/92/78/573969278.db2.gz PEKFXKWZPWCXJF-SECBINFHSA-N 1 3 172.272 0.207 10 0 ACAEHO CC[C@@H]([NH3+])CCNC[C@H]1CCCO1 127807699 573969288 /nfs/dbraw/zinc/96/92/88/573969288.db2.gz ADASWJJTLAJANJ-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)CN(C[C@H](O)C[NH3+])C1CC1 42556017 573969385 /nfs/dbraw/zinc/96/93/85/573969385.db2.gz GAVUKVIRRSPTBT-SNVBAGLBSA-N 1 3 186.299 0.426 10 0 ACAEHO CNC[C@](C)(O)[C@H]1CCCCC[NH2+]1 85075221 573969799 /nfs/dbraw/zinc/96/97/99/573969799.db2.gz VVDQVNJWWBQPSL-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO C[NH2+]C[C@](C)(O)[C@H]1CCCCCN1 85075221 573969802 /nfs/dbraw/zinc/96/98/02/573969802.db2.gz VVDQVNJWWBQPSL-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[C@@H]1CCN[C@H]([C@](C)(O)C[NH3+])C1 85075005 573969997 /nfs/dbraw/zinc/96/99/97/573969997.db2.gz KMBXOVBDQWRVTB-KXUCPTDWSA-N 1 3 186.299 0.474 10 0 ACAEHO CNC[C@](C)(O)[C@@H]1CCCC[NH2+]1 85075511 573970005 /nfs/dbraw/zinc/97/00/05/573970005.db2.gz JIHNYEGWGVQCJU-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@](C)(O)[C@@H]1CCCCN1 85075511 573970008 /nfs/dbraw/zinc/97/00/08/573970008.db2.gz JIHNYEGWGVQCJU-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]CCCN(CCCO)C(C)C 42513661 573970084 /nfs/dbraw/zinc/97/00/84/573970084.db2.gz YDKFFSWVBFAISJ-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO CNCCC[N@H+](CCCO)C(C)C 42513661 573970087 /nfs/dbraw/zinc/97/00/87/573970087.db2.gz YDKFFSWVBFAISJ-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO CNCCC[N@@H+](CCCO)C(C)C 42513661 573970090 /nfs/dbraw/zinc/97/00/90/573970090.db2.gz YDKFFSWVBFAISJ-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO c1cnn(CCNC2CC[NH2+]CC2)c1 42539628 573972134 /nfs/dbraw/zinc/97/21/34/573972134.db2.gz NLDOKZUPLZBITN-UHFFFAOYSA-N 1 3 194.282 0.225 10 0 ACAEHO c1cnn(CC[NH2+]C2CCNCC2)c1 42539628 573972139 /nfs/dbraw/zinc/97/21/39/573972139.db2.gz NLDOKZUPLZBITN-UHFFFAOYSA-N 1 3 194.282 0.225 10 0 ACAEHO C[N@H+](CCC[C@](C)(N)C(N)=O)C1CC1 45383320 573972669 /nfs/dbraw/zinc/97/26/69/573972669.db2.gz YTIJIADIVWDNLI-JTQLQIEISA-N 1 3 199.298 0.064 10 0 ACAEHO C[N@@H+](CCC[C@](C)(N)C(N)=O)C1CC1 45383320 573972673 /nfs/dbraw/zinc/97/26/73/573972673.db2.gz YTIJIADIVWDNLI-JTQLQIEISA-N 1 3 199.298 0.064 10 0 ACAEHO CCCNC(=N)SC(N)=[NH2+] 238229408 573972734 /nfs/dbraw/zinc/97/27/34/573972734.db2.gz FWODJCSHFGVMTK-UHFFFAOYSA-N 1 3 160.246 0.547 10 0 ACAEHO CCC[C@@H](N(C)C)C1(C[NH3+])COC1 259588429 573972808 /nfs/dbraw/zinc/97/28/08/573972808.db2.gz QDFUTMYBUUMUGG-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC1(C)CNCC(C)(CO)C[NH2+]C1 238230033 573974838 /nfs/dbraw/zinc/97/48/38/573974838.db2.gz YHWSODWELLTOCT-UHFFFAOYSA-N 1 3 186.299 0.204 10 0 ACAEHO C[C@](N)(CCC[NH+]1CCCC1)C(N)=O 45375362 573975145 /nfs/dbraw/zinc/97/51/45/573975145.db2.gz ZZPOFJXHEHRZFW-JTQLQIEISA-N 1 3 199.298 0.065 10 0 ACAEHO C[NH2+][C@H]1CN(CCN(C)C)C(C)(C)C1 259255094 573975755 /nfs/dbraw/zinc/97/57/55/573975755.db2.gz FIBWQEOPNXCRAB-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@@H]1CN(CCN(C)C)C(C)(C)C1 259255087 573975770 /nfs/dbraw/zinc/97/57/70/573975770.db2.gz FIBWQEOPNXCRAB-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[C@@H](CCO)NCC[NH3+] 716883941 573975966 /nfs/dbraw/zinc/97/59/66/573975966.db2.gz GQURTSPSXCUAPJ-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO NCc1csc([C@@H]2CC[NH2+]C2)n1 258195617 573985954 /nfs/dbraw/zinc/98/59/54/573985954.db2.gz STPNJMOEDLTKJM-ZCFIWIBFSA-N 1 3 183.280 0.679 10 0 ACAEHO C[NH2+][C@@H](c1ccccc1C)[C@H](O)CN 259589527 573986068 /nfs/dbraw/zinc/98/60/68/573986068.db2.gz XSGHIUSLZYLMCJ-MNOVXSKESA-N 1 3 194.278 0.575 10 0 ACAEHO CC[C@@H]([C@@H](C)CN)[NH+](C)C 259592247 573987298 /nfs/dbraw/zinc/98/72/98/573987298.db2.gz QFSJRZBCSLOSAQ-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@@H]([C@@H](C)C[NH3+])N(C)C 259592247 573987304 /nfs/dbraw/zinc/98/73/04/573987304.db2.gz QFSJRZBCSLOSAQ-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@H]([NH3+])CCCCN1CCN(C)CC1 45598648 573987345 /nfs/dbraw/zinc/98/73/45/573987345.db2.gz IRSGSHSLAUWZHC-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO C1C[C@@H]([C@@H]2C3CCN2CC3)C[NH2+]1 104456137 573989120 /nfs/dbraw/zinc/98/91/20/573989120.db2.gz LRRZEOUUOZOTAA-ZJUUUORDSA-N 1 3 166.268 0.690 10 0 ACAEHO C[C@H]([NH3+])CCCN1CCN(C)CC1 45598650 573989447 /nfs/dbraw/zinc/98/94/47/573989447.db2.gz ILIKWPXZXZUHHL-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@H]1CN(CCC[C@@H](C)[NH3+])CCO1 45598743 573990521 /nfs/dbraw/zinc/99/05/21/573990521.db2.gz AJRWZYDIAMGGGG-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1COCCN1CCC[C@@H](C)[NH3+] 45599864 573990565 /nfs/dbraw/zinc/99/05/65/573990565.db2.gz CEZWVWDDJOJNLC-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)N1CC[C@@H]([NH2+]CCN)C1 45654836 573992681 /nfs/dbraw/zinc/99/26/81/573992681.db2.gz GCZHUZZYKNDRPZ-SECBINFHSA-N 1 3 171.288 0.017 10 0 ACAEHO CN1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 87646838 573992835 /nfs/dbraw/zinc/99/28/35/573992835.db2.gz GZBUWKIJEOLSKF-MNOVXSKESA-N 1 3 197.326 0.280 10 0 ACAEHO CCCN(CCN(C)C)C[C@H](C)[NH3+] 45686769 573993050 /nfs/dbraw/zinc/99/30/50/573993050.db2.gz DYQNYAUFBINMHL-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO CO[C@H]1CCC[C@H]1NC1CC([NH3+])C1 87651847 573997522 /nfs/dbraw/zinc/99/75/22/573997522.db2.gz LGAUPWBNTIHUOK-BMNUFHGDSA-N 1 3 184.283 0.633 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCCCO2)C1 87651788 573997552 /nfs/dbraw/zinc/99/75/52/573997552.db2.gz OFXNAVSVNNKPHX-UDNWOFFPSA-N 1 3 184.283 0.635 10 0 ACAEHO NC1CC([NH2+]C2CCOCC2)C1 87651368 573993451 /nfs/dbraw/zinc/99/34/51/573993451.db2.gz HJMGEGXBIGMYST-UHFFFAOYSA-N 1 3 170.256 0.245 10 0 ACAEHO [NH3+]C1CC(NC2CCOCC2)C1 87651368 573993455 /nfs/dbraw/zinc/99/34/55/573993455.db2.gz HJMGEGXBIGMYST-UHFFFAOYSA-N 1 3 170.256 0.245 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCCO2)C1 87651158 573993535 /nfs/dbraw/zinc/99/35/35/573993535.db2.gz AJWFPPDYJSBIOT-HACHORDNSA-N 1 3 170.256 0.245 10 0 ACAEHO CO[C@@H]1CCC[C@H]1NC1CC([NH3+])C1 87651846 573993684 /nfs/dbraw/zinc/99/36/84/573993684.db2.gz LGAUPWBNTIHUOK-YDYPAMBWSA-N 1 3 184.283 0.633 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCCC[C@@H]2O)C1 87651867 573993730 /nfs/dbraw/zinc/99/37/30/573993730.db2.gz XLRDEAIMGFNOJP-BMNUFHGDSA-N 1 3 184.283 0.369 10 0 ACAEHO NC1CC([NH2+][C@@H]2CCCC[C@@H]2O)C1 87651867 573993734 /nfs/dbraw/zinc/99/37/34/573993734.db2.gz XLRDEAIMGFNOJP-BMNUFHGDSA-N 1 3 184.283 0.369 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCC[C@@H](O)C2)C1 87651591 573993759 /nfs/dbraw/zinc/99/37/59/573993759.db2.gz MONYMVJTKGWZFD-RVXWLBMTSA-N 1 3 184.283 0.369 10 0 ACAEHO NC1CC([NH2+][C@H]2CCC[C@@H](O)C2)C1 87651591 573993762 /nfs/dbraw/zinc/99/37/62/573993762.db2.gz MONYMVJTKGWZFD-RVXWLBMTSA-N 1 3 184.283 0.369 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCN(C3CC3)C2)C1 87651813 573993794 /nfs/dbraw/zinc/99/37/94/573993794.db2.gz UCFFKNNJRXCTFN-HWOCKDDLSA-N 1 3 195.310 0.302 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCCC[C@H]2O)C1 87652043 573993831 /nfs/dbraw/zinc/99/38/31/573993831.db2.gz SZXMULFCUXBQJT-AGVGLQIMSA-N 1 3 198.310 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCCC[C@H]2O)C1 87652043 573993836 /nfs/dbraw/zinc/99/38/36/573993836.db2.gz SZXMULFCUXBQJT-AGVGLQIMSA-N 1 3 198.310 0.617 10 0 ACAEHO C[C@]1(CNC2CC([NH3+])C2)CCCO1 87652163 573995189 /nfs/dbraw/zinc/99/51/89/573995189.db2.gz BZURNKUBPXFTIV-UDNWOFFPSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCC[C@H](O)C2)C1 87651594 573995252 /nfs/dbraw/zinc/99/52/52/573995252.db2.gz MONYMVJTKGWZFD-RGWUEKKESA-N 1 3 184.283 0.369 10 0 ACAEHO NC1CC([NH2+][C@@H]2CCC[C@H](O)C2)C1 87651594 573995256 /nfs/dbraw/zinc/99/52/56/573995256.db2.gz MONYMVJTKGWZFD-RGWUEKKESA-N 1 3 184.283 0.369 10 0 ACAEHO CC1(CNC2CC([NH3+])C2)COC1 87652162 573995290 /nfs/dbraw/zinc/99/52/90/573995290.db2.gz LSAHOLIPNNGYPT-UHFFFAOYSA-N 1 3 170.256 0.102 10 0 ACAEHO CC1(C[NH2+]C2CC(N)C2)COC1 87652162 573995294 /nfs/dbraw/zinc/99/52/94/573995294.db2.gz LSAHOLIPNNGYPT-UHFFFAOYSA-N 1 3 170.256 0.102 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCCC[C@@H]2O)C1 87652042 573994824 /nfs/dbraw/zinc/99/48/24/573994824.db2.gz SZXMULFCUXBQJT-SFXRXQKFSA-N 1 3 198.310 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCCC[C@@H]2O)C1 87652042 573994829 /nfs/dbraw/zinc/99/48/29/573994829.db2.gz SZXMULFCUXBQJT-SFXRXQKFSA-N 1 3 198.310 0.617 10 0 ACAEHO CO[C@H]1CCC[C@@H]1NC1CC([NH3+])C1 87651845 573994857 /nfs/dbraw/zinc/99/48/57/573994857.db2.gz LGAUPWBNTIHUOK-QLEHZGMVSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@]1(CNC2CC([NH3+])C2)CCCO1 87652164 573994940 /nfs/dbraw/zinc/99/49/40/573994940.db2.gz BZURNKUBPXFTIV-RTBKNWGFSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCCCO2)C1 87651787 573994974 /nfs/dbraw/zinc/99/49/74/573994974.db2.gz OFXNAVSVNNKPHX-RTBKNWGFSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C1CC(NC2CC2)C1 87651012 573995064 /nfs/dbraw/zinc/99/50/64/573995064.db2.gz GKKIIZHOTUETHH-UHFFFAOYSA-N 1 3 126.203 0.228 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1NC1CC([NH3+])C1 87651844 573995127 /nfs/dbraw/zinc/99/51/27/573995127.db2.gz LGAUPWBNTIHUOK-HORUIINNSA-N 1 3 184.283 0.633 10 0 ACAEHO CCN[C@H](C)[C@]1(O)CC[N@@H+]2CCC[C@@H]21 123341108 573997875 /nfs/dbraw/zinc/99/78/75/573997875.db2.gz YUVYISUTNDOKNY-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO CCN[C@H](C)[C@]1(O)CC[N@H+]2CCC[C@@H]21 123341108 573997880 /nfs/dbraw/zinc/99/78/80/573997880.db2.gz YUVYISUTNDOKNY-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO CC[NH2+][C@H](C)[C@]1(O)CCN2CCC[C@@H]21 123341108 573997882 /nfs/dbraw/zinc/99/78/82/573997882.db2.gz YUVYISUTNDOKNY-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H](CC[NH3+])C(=O)[C@@H]1CCCN(C)C1 259264224 573997890 /nfs/dbraw/zinc/99/78/90/573997890.db2.gz SXGIOYXDFAUXNY-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@H]1CN(C2CC([NH3+])C2)CCN1C 87653553 573998114 /nfs/dbraw/zinc/99/81/14/573998114.db2.gz BUOCJIVHOXOZIP-YVNMAJEFSA-N 1 3 197.326 0.502 10 0 ACAEHO CCN(C1CC1)C1CC([NH3+])C1 87653187 574000924 /nfs/dbraw/zinc/00/09/24/574000924.db2.gz JAXBKCQZDDKXNG-UHFFFAOYSA-N 1 3 154.257 0.960 10 0 ACAEHO O[C@]1([C@@H]2CCC[NH2+]2)CCN2CCC[C@@H]21 123343904 574000412 /nfs/dbraw/zinc/00/04/12/574000412.db2.gz NEQBXLQBSFSQQH-AXFHLTTASA-N 1 3 196.294 0.338 10 0 ACAEHO CCN1CCN(C2CC([NH3+])C2)CC1 87653144 574000606 /nfs/dbraw/zinc/00/06/06/574000606.db2.gz WOMBWGCXBPYHEM-UHFFFAOYSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CC(N)C2)C1 87653294 574000621 /nfs/dbraw/zinc/00/06/21/574000621.db2.gz WYAKTEXQWIYEDV-AFPNSQJFSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CC(N)C2)C1 87653294 574000627 /nfs/dbraw/zinc/00/06/27/574000627.db2.gz WYAKTEXQWIYEDV-AFPNSQJFSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CC(N)C2)C1 87653295 574000643 /nfs/dbraw/zinc/00/06/43/574000643.db2.gz WYAKTEXQWIYEDV-UEJVZZJDSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1CC[N@H+](C2CC(N)C2)C1 87653295 574000647 /nfs/dbraw/zinc/00/06/47/574000647.db2.gz WYAKTEXQWIYEDV-UEJVZZJDSA-N 1 3 154.257 0.818 10 0 ACAEHO C[NH2+][C@@H](c1cc[nH]c1)C1(CN)COC1 259262810 574000905 /nfs/dbraw/zinc/00/09/05/574000905.db2.gz OHZYDQGOPBSGLZ-VIFPVBQESA-N 1 3 195.266 0.251 10 0 ACAEHO N[C@@]1(CO)CCC[N@H+](C2CCC2)CC1 258198522 574003037 /nfs/dbraw/zinc/00/30/37/574003037.db2.gz WNOWGYSNMSFKLE-NSHDSACASA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+]C1CC(N2CCC[C@@H](CO)C2)C1 87653269 574002442 /nfs/dbraw/zinc/00/24/42/574002442.db2.gz QAOICXKYIUTQNP-XNWIYYODSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C1CC(N2CCCSCC2)C1 87653310 574002597 /nfs/dbraw/zinc/00/25/97/574002597.db2.gz AMUFIJNAFBHYSI-UHFFFAOYSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@H]1CN(C2CC([NH3+])C2)CCN1C 87653550 574002647 /nfs/dbraw/zinc/00/26/47/574002647.db2.gz RWVRKNHEYIABNR-IDKOKCKLSA-N 1 3 183.299 0.112 10 0 ACAEHO CCN(CC[C@@H](C)[NH3+])CC1CN(C)C1 715113060 574002866 /nfs/dbraw/zinc/00/28/66/574002866.db2.gz QYWBZOPDMNQWQK-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO N[C@@]1(CO)CCC[N@@H+](C2CCC2)CC1 258198522 574003032 /nfs/dbraw/zinc/00/30/32/574003032.db2.gz WNOWGYSNMSFKLE-NSHDSACASA-N 1 3 198.310 0.715 10 0 ACAEHO CC1(C)C[C@@](C)(CN)N2CC[NH+]=C21 238237882 574003793 /nfs/dbraw/zinc/00/37/93/574003793.db2.gz CRVOXKLINJXDGO-JTQLQIEISA-N 1 3 181.283 0.848 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)C1CNC1 686252058 574003907 /nfs/dbraw/zinc/00/39/07/574003907.db2.gz CDRSUEGUAZLITD-NGZCFLSTSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](NC[C@H]1CCC[C@@H]1O)C1C[NH2+]C1 686252058 574003911 /nfs/dbraw/zinc/00/39/11/574003911.db2.gz CDRSUEGUAZLITD-NGZCFLSTSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]1CN(C[C@H]2C[C@H]2C[NH3+])C[C@@H](C)O1 715115097 574003973 /nfs/dbraw/zinc/00/39/73/574003973.db2.gz OFMCKZOTUIIBNA-ZRUFSTJUSA-N 1 3 198.310 0.690 10 0 ACAEHO C[NH+](C)C[C@@H](CN)c1ccco1 258199226 574004088 /nfs/dbraw/zinc/00/40/88/574004088.db2.gz PMLVHSPPIGFXPX-MRVPVSSYSA-N 1 3 168.240 0.884 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@@H]1CO[C@H](C2CC2)C1 715114332 574004129 /nfs/dbraw/zinc/00/41/29/574004129.db2.gz VAEGMHDVODKWEW-MIMYLULJSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)C1CNC1 686252061 574004131 /nfs/dbraw/zinc/00/41/31/574004131.db2.gz CDRSUEGUAZLITD-QXEWZRGKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](NC[C@@H]1CCC[C@@H]1O)C1C[NH2+]C1 686252061 574004134 /nfs/dbraw/zinc/00/41/34/574004134.db2.gz CDRSUEGUAZLITD-QXEWZRGKSA-N 1 3 198.310 0.345 10 0 ACAEHO Nc1ccncc1[C@]1(O)CC[C@@H]([NH3+])C1 87654484 574004448 /nfs/dbraw/zinc/00/44/48/574004448.db2.gz FJEIMZCEDGLPQM-XCBNKYQSSA-N 1 3 193.250 0.363 10 0 ACAEHO NC1(c2nccnc2C2([NH3+])CC2)CC1 104485480 574004791 /nfs/dbraw/zinc/00/47/91/574004791.db2.gz GVKXZTHIIDATKR-UHFFFAOYSA-N 1 3 190.250 0.372 10 0 ACAEHO [NH3+][C@H](C[C@H]1CNCCO1)c1cc[nH]c1 259591862 574004855 /nfs/dbraw/zinc/00/48/55/574004855.db2.gz WRRUKRKIMQPVFG-VHSXEESVSA-N 1 3 195.266 0.393 10 0 ACAEHO Nc1ccncc1[C@]1(O)CC[C@H]([NH3+])C1 87654482 574004943 /nfs/dbraw/zinc/00/49/43/574004943.db2.gz FJEIMZCEDGLPQM-XVKPBYJWSA-N 1 3 193.250 0.363 10 0 ACAEHO CCn1ccnc1NC[C@@H]1CC[NH2+]C1 87655285 574005026 /nfs/dbraw/zinc/00/50/26/574005026.db2.gz JXONCIUKUJULPR-SECBINFHSA-N 1 3 194.282 0.924 10 0 ACAEHO Cn1ccnc1NC[C@@H]1CC[NH2+]C1 87655399 574005380 /nfs/dbraw/zinc/00/53/80/574005380.db2.gz NLDMUZDOALFAGD-MRVPVSSYSA-N 1 3 180.255 0.442 10 0 ACAEHO C[NH+](C)C[C@H](CN)c1ccco1 258199229 574007556 /nfs/dbraw/zinc/00/75/56/574007556.db2.gz PMLVHSPPIGFXPX-QMMMGPOBSA-N 1 3 168.240 0.884 10 0 ACAEHO [NH3+][C@H](C[C@@H]1CNCCO1)c1cc[nH]c1 259591860 574007064 /nfs/dbraw/zinc/00/70/64/574007064.db2.gz WRRUKRKIMQPVFG-NXEZZACHSA-N 1 3 195.266 0.393 10 0 ACAEHO [NH3+][C@@H](C[C@H]1CNCCO1)c1cc[nH]c1 259591861 574007120 /nfs/dbraw/zinc/00/71/20/574007120.db2.gz WRRUKRKIMQPVFG-UWVGGRQHSA-N 1 3 195.266 0.393 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@H]1CO[C@H](C2CC2)C1 715114331 574007337 /nfs/dbraw/zinc/00/73/37/574007337.db2.gz VAEGMHDVODKWEW-IEBDPFPHSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@H]1CO[C@@H](C2CC2)C1 715114327 574007515 /nfs/dbraw/zinc/00/75/15/574007515.db2.gz VAEGMHDVODKWEW-FBIMIBRVSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)CCC[NH2+]1 259272301 574009359 /nfs/dbraw/zinc/00/93/59/574009359.db2.gz GDSYRUNGZLYYSK-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H]1CCN(CCN(C)C)CCC[NH2+]1 259272298 574009633 /nfs/dbraw/zinc/00/96/33/574009633.db2.gz GDSYRUNGZLYYSK-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H](N)N1CCC[N@H+](C)[C@@H](C)C1 258201176 574009746 /nfs/dbraw/zinc/00/97/46/574009746.db2.gz PUYSKQZNTUKLGY-IUCAKERBSA-N 1 3 171.288 0.317 10 0 ACAEHO C[C@@H](N)N1CCC[N@@H+](C)[C@@H](C)C1 258201176 574009751 /nfs/dbraw/zinc/00/97/51/574009751.db2.gz PUYSKQZNTUKLGY-IUCAKERBSA-N 1 3 171.288 0.317 10 0 ACAEHO C[N@@H+]1CC[C@H](Cn2cncc2CN)C1 85197278 574010763 /nfs/dbraw/zinc/01/07/63/574010763.db2.gz FLJSWFLSKIVLBM-VIFPVBQESA-N 1 3 194.282 0.294 10 0 ACAEHO C[N@H+]1CC[C@H](Cn2cncc2CN)C1 85197278 574010768 /nfs/dbraw/zinc/01/07/68/574010768.db2.gz FLJSWFLSKIVLBM-VIFPVBQESA-N 1 3 194.282 0.294 10 0 ACAEHO C[NH+]1CCC(n2cncc2CN)CC1 85196922 574011433 /nfs/dbraw/zinc/01/14/33/574011433.db2.gz UKIWRCAEQRVLMY-UHFFFAOYSA-N 1 3 194.282 0.609 10 0 ACAEHO C[N@@H+]1CCC[C@H](n2cncc2CN)C1 85197408 574011811 /nfs/dbraw/zinc/01/18/11/574011811.db2.gz LFHHFOGNSLWVEW-VIFPVBQESA-N 1 3 194.282 0.609 10 0 ACAEHO C[N@H+]1CCC[C@H](n2cncc2CN)C1 85197408 574011812 /nfs/dbraw/zinc/01/18/12/574011812.db2.gz LFHHFOGNSLWVEW-VIFPVBQESA-N 1 3 194.282 0.609 10 0 ACAEHO CC(C)[NH2+]CC(=O)[C@H]1CCCN(C)C1 259274016 574012008 /nfs/dbraw/zinc/01/20/08/574012008.db2.gz UJVRIWCUPHZPGK-JTQLQIEISA-N 1 3 198.310 0.895 10 0 ACAEHO C[N@@H+]1CC[C@@H](n2cncc2CN)C1 85197477 574012039 /nfs/dbraw/zinc/01/20/39/574012039.db2.gz INNGHPWQMSSNJC-MRVPVSSYSA-N 1 3 180.255 0.218 10 0 ACAEHO C[N@H+]1CC[C@@H](n2cncc2CN)C1 85197477 574012044 /nfs/dbraw/zinc/01/20/44/574012044.db2.gz INNGHPWQMSSNJC-MRVPVSSYSA-N 1 3 180.255 0.218 10 0 ACAEHO C[N@@H+]1CC[C@H](n2cncc2CN)C1 85197474 574012095 /nfs/dbraw/zinc/01/20/95/574012095.db2.gz INNGHPWQMSSNJC-QMMMGPOBSA-N 1 3 180.255 0.218 10 0 ACAEHO C[N@H+]1CC[C@H](n2cncc2CN)C1 85197474 574012099 /nfs/dbraw/zinc/01/20/99/574012099.db2.gz INNGHPWQMSSNJC-QMMMGPOBSA-N 1 3 180.255 0.218 10 0 ACAEHO CNCc1cncn1[C@@H]1CC[N@H+](C)C1 85197496 574012173 /nfs/dbraw/zinc/01/21/73/574012173.db2.gz LLRLGYZZCDHFGY-SECBINFHSA-N 1 3 194.282 0.479 10 0 ACAEHO CNCc1cncn1[C@@H]1CC[N@@H+](C)C1 85197496 574012175 /nfs/dbraw/zinc/01/21/75/574012175.db2.gz LLRLGYZZCDHFGY-SECBINFHSA-N 1 3 194.282 0.479 10 0 ACAEHO C[NH2+]Cc1cncn1[C@@H]1CCN(C)C1 85197496 574012179 /nfs/dbraw/zinc/01/21/79/574012179.db2.gz LLRLGYZZCDHFGY-SECBINFHSA-N 1 3 194.282 0.479 10 0 ACAEHO CNCc1cncn1[C@H]1CC[N@H+](C)C1 85197498 574012197 /nfs/dbraw/zinc/01/21/97/574012197.db2.gz LLRLGYZZCDHFGY-VIFPVBQESA-N 1 3 194.282 0.479 10 0 ACAEHO CNCc1cncn1[C@H]1CC[N@@H+](C)C1 85197498 574012201 /nfs/dbraw/zinc/01/22/01/574012201.db2.gz LLRLGYZZCDHFGY-VIFPVBQESA-N 1 3 194.282 0.479 10 0 ACAEHO C[NH2+]Cc1cncn1[C@H]1CCN(C)C1 85197498 574012204 /nfs/dbraw/zinc/01/22/04/574012204.db2.gz LLRLGYZZCDHFGY-VIFPVBQESA-N 1 3 194.282 0.479 10 0 ACAEHO C[N@@H+]1CC[C@@H](Cn2cncc2CN)C1 85197283 574013292 /nfs/dbraw/zinc/01/32/92/574013292.db2.gz FLJSWFLSKIVLBM-SECBINFHSA-N 1 3 194.282 0.294 10 0 ACAEHO C[N@H+]1CC[C@@H](Cn2cncc2CN)C1 85197283 574013295 /nfs/dbraw/zinc/01/32/95/574013295.db2.gz FLJSWFLSKIVLBM-SECBINFHSA-N 1 3 194.282 0.294 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@H](CO)C1CCC1 717583446 574013459 /nfs/dbraw/zinc/01/34/59/574013459.db2.gz NDYOGTOEJDWDSW-QXFUBDJGSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H](CO)C1CCC1 717583442 574014424 /nfs/dbraw/zinc/01/44/24/574014424.db2.gz NDYOGTOEJDWDSW-NRPADANISA-N 1 3 186.299 0.473 10 0 ACAEHO CC[NH+](CC)CCCNCCCO 48694347 574018407 /nfs/dbraw/zinc/01/84/07/574018407.db2.gz SJBGWLRTEPPTIJ-UHFFFAOYSA-N 1 3 188.315 0.690 10 0 ACAEHO CCN(CC)CCC[NH2+]CCCO 48694347 574018412 /nfs/dbraw/zinc/01/84/12/574018412.db2.gz SJBGWLRTEPPTIJ-UHFFFAOYSA-N 1 3 188.315 0.690 10 0 ACAEHO NC1(c2ncccc2C2([NH3+])CC2)CC1 104504447 574019609 /nfs/dbraw/zinc/01/96/09/574019609.db2.gz VHXUFUTUFLLRAC-UHFFFAOYSA-N 1 3 189.262 0.977 10 0 ACAEHO CN(C)CCN1C[C@@H]([NH3+])CCC1(C)C 259274648 574019634 /nfs/dbraw/zinc/01/96/34/574019634.db2.gz GELIYWVXJWFFOO-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[NH2+][C@H](CCN)C1CCOCC1 259274537 574019758 /nfs/dbraw/zinc/01/97/58/574019758.db2.gz HEYILKWVTDQOKN-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO NC1(c2cc(C3([NH3+])CC3)ccn2)CC1 104504442 574020244 /nfs/dbraw/zinc/02/02/44/574020244.db2.gz PGQFLTPOHKFTCE-UHFFFAOYSA-N 1 3 189.262 0.977 10 0 ACAEHO NC1(c2cnccc2C2([NH3+])CC2)CC1 104504453 574020321 /nfs/dbraw/zinc/02/03/21/574020321.db2.gz PPRAEUYCAFDYSQ-UHFFFAOYSA-N 1 3 189.262 0.977 10 0 ACAEHO NCC1([C@@H]([NH3+])C2CCC2)COC1 259277102 574021792 /nfs/dbraw/zinc/02/17/92/574021792.db2.gz HHNGWHHXQHKINI-QMMMGPOBSA-N 1 3 170.256 0.089 10 0 ACAEHO CN(C1C[NH2+]C1)[C@H]1CCN(C2CC2)C1 85257302 574021846 /nfs/dbraw/zinc/02/18/46/574021846.db2.gz WBJIHFKOPUNOSV-JTQLQIEISA-N 1 3 195.310 0.127 10 0 ACAEHO CN1CCC([C@H](O)C2([NH3+])CC2)CC1 259277423 574021847 /nfs/dbraw/zinc/02/18/47/574021847.db2.gz VKNHHSJTPYXBBQ-VIFPVBQESA-N 1 3 184.283 0.180 10 0 ACAEHO N[C@@H]1CCOc2ccc(C[NH3+])cc21 104513653 574022211 /nfs/dbraw/zinc/02/22/11/574022211.db2.gz IGGHXLVNJRUQIL-SECBINFHSA-N 1 3 178.235 0.928 10 0 ACAEHO CC(C)(CN1CCC[C@@H](O)C1)C(N)=[NH2+] 405135466 574022294 /nfs/dbraw/zinc/02/22/94/574022294.db2.gz PDWBANXHKNPYME-MRVPVSSYSA-N 1 3 199.298 0.405 10 0 ACAEHO NCC1([C@H]([NH3+])C2CCC2)COC1 259277101 574022601 /nfs/dbraw/zinc/02/26/01/574022601.db2.gz HHNGWHHXQHKINI-MRVPVSSYSA-N 1 3 170.256 0.089 10 0 ACAEHO CC(C)(CN1CCC[C@H](O)C1)C(N)=[NH2+] 405135467 574022637 /nfs/dbraw/zinc/02/26/37/574022637.db2.gz PDWBANXHKNPYME-QMMMGPOBSA-N 1 3 199.298 0.405 10 0 ACAEHO CCN(C1CCN(C)CC1)C1C[NH2+]C1 85258738 574022717 /nfs/dbraw/zinc/02/27/17/574022717.db2.gz AUJVUYNZVWBOQO-UHFFFAOYSA-N 1 3 197.326 0.374 10 0 ACAEHO CNC(=[NH2+])C1CCN(C)CC1 259277332 574022786 /nfs/dbraw/zinc/02/27/86/574022786.db2.gz RHEFKRRSGCWUMU-UHFFFAOYSA-N 1 3 155.245 0.525 10 0 ACAEHO C[C@@H](O)C(C)(C)[NH2+]CCCN 128150898 574022843 /nfs/dbraw/zinc/02/28/43/574022843.db2.gz NSMHWZDJRHVCBD-SSDOTTSWSA-N 1 3 160.261 0.084 10 0 ACAEHO [NH3+]CC1=CCN(C[C@@H]2CCCO2)CC1 259278763 574022849 /nfs/dbraw/zinc/02/28/49/574022849.db2.gz SSDDEQLCIFESDQ-NSHDSACASA-N 1 3 196.294 0.756 10 0 ACAEHO CN(C1C[NH2+]C1)[C@@H]1CCN(C2CC2)C1 85257301 574022861 /nfs/dbraw/zinc/02/28/61/574022861.db2.gz WBJIHFKOPUNOSV-SNVBAGLBSA-N 1 3 195.310 0.127 10 0 ACAEHO CN1CC[C@@H](C(=O)C(C)(C)CC[NH3+])C1 259279228 574022976 /nfs/dbraw/zinc/02/29/76/574022976.db2.gz UYDSYVRQLFRMRP-SECBINFHSA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH2+][C@H](c1cccs1)[C@@H](O)CN 259278949 574022988 /nfs/dbraw/zinc/02/29/88/574022988.db2.gz IFLJEZIGDMLNLJ-XPUUQOCRSA-N 1 3 186.280 0.328 10 0 ACAEHO CCCNCc1cn(CCC[NH3+])nn1 85273156 574025577 /nfs/dbraw/zinc/02/55/77/574025577.db2.gz MLGYTANPTKFFFD-UHFFFAOYSA-N 1 3 197.286 0.127 10 0 ACAEHO CC(C)CN1CC(N2CC[NH2+]CC2)C1 85279838 574027598 /nfs/dbraw/zinc/02/75/98/574027598.db2.gz XZPZGWKDWRVWPN-UHFFFAOYSA-N 1 3 197.326 0.232 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C[C@@H](C)O 85287401 574027632 /nfs/dbraw/zinc/02/76/32/574027632.db2.gz UQUYAVXLGJAVLO-CHWFTXMASA-N 1 3 198.310 0.297 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@@H](C)O 85287396 574027675 /nfs/dbraw/zinc/02/76/75/574027675.db2.gz UQUYAVXLGJAVLO-GWOFURMSSA-N 1 3 198.310 0.297 10 0 ACAEHO CC[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85285971 574027760 /nfs/dbraw/zinc/02/77/60/574027760.db2.gz QJJQHYRWQIMFFL-UKKRHICBSA-N 1 3 198.310 0.297 10 0 ACAEHO CC[C@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85285969 574027780 /nfs/dbraw/zinc/02/77/80/574027780.db2.gz QJJQHYRWQIMFFL-XWLWVQCSSA-N 1 3 198.310 0.297 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC 85286574 574027854 /nfs/dbraw/zinc/02/78/54/574027854.db2.gz BOXYGQHOKABVGF-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCN(C)C 85286018 574027934 /nfs/dbraw/zinc/02/79/34/574027934.db2.gz FGRRDKMHLPVCKE-MXWKQRLJSA-N 1 3 197.326 0.088 10 0 ACAEHO CC1(C)CC[C@@](N)(C[NH3+])C1 87772532 574028089 /nfs/dbraw/zinc/02/80/89/574028089.db2.gz JNGHFKXSCWPSBL-QMMMGPOBSA-N 1 3 142.246 0.853 10 0 ACAEHO CC(C)N1CCc2[nH+]c(N)[nH]c2C1 85279310 574028291 /nfs/dbraw/zinc/02/82/91/574028291.db2.gz WMWHZUQGYYYGSB-UHFFFAOYSA-N 1 3 180.255 0.758 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC(C)(C)O 85285590 574028333 /nfs/dbraw/zinc/02/83/33/574028333.db2.gz MDIBXCSRMIYLSS-BBBLOLIVSA-N 1 3 198.310 0.297 10 0 ACAEHO CC(C)N1C2CC(C2)[C@H]1C[NH3+] 258467093 574028409 /nfs/dbraw/zinc/02/84/09/574028409.db2.gz HULRYZQPICTNBF-AMDVSUOASA-N 1 3 154.257 0.816 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C 85287299 574028447 /nfs/dbraw/zinc/02/84/47/574028447.db2.gz UQPGZGIIDFYVHD-HRDYMLBCSA-N 1 3 154.257 0.546 10 0 ACAEHO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1CCCO 85289351 574029032 /nfs/dbraw/zinc/02/90/32/574029032.db2.gz QHSJTDXPHAHFMS-UWVGGRQHSA-N 1 3 198.310 0.299 10 0 ACAEHO CN(C)[C@@H](C1CCC1)C1(C[NH3+])COC1 259284447 574029236 /nfs/dbraw/zinc/02/92/36/574029236.db2.gz CNSWLTFAZLEMNZ-JTQLQIEISA-N 1 3 198.310 0.692 10 0 ACAEHO COCCN1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85289279 574029382 /nfs/dbraw/zinc/02/93/82/574029382.db2.gz BWODYQZDNNZJKA-ZJUUUORDSA-N 1 3 198.310 0.563 10 0 ACAEHO COCCN1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 85289282 574029407 /nfs/dbraw/zinc/02/94/07/574029407.db2.gz BWODYQZDNNZJKA-VHSXEESVSA-N 1 3 198.310 0.563 10 0 ACAEHO C[C@@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289176 574029669 /nfs/dbraw/zinc/02/96/69/574029669.db2.gz JQZXYQQVMWAYES-UTLUCORTSA-N 1 3 198.310 0.297 10 0 ACAEHO [NH3+][C@@H]1C[C@@H]2CC[C@H](C1)N2CCCO 143747940 574032473 /nfs/dbraw/zinc/03/24/73/574032473.db2.gz MCMIXGYVLMRBHG-ILWJIGKKSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCO 143747940 574032476 /nfs/dbraw/zinc/03/24/76/574032476.db2.gz MCMIXGYVLMRBHG-ILWJIGKKSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2CCCO 143747940 574032477 /nfs/dbraw/zinc/03/24/77/574032477.db2.gz MCMIXGYVLMRBHG-ILWJIGKKSA-N 1 3 184.283 0.323 10 0 ACAEHO CC[C@H](C[NH2+]C)[C@H](C)N 259286744 574031623 /nfs/dbraw/zinc/03/16/23/574031623.db2.gz HPHBYOMSGDCLSA-NKWVEPMBSA-N 1 3 130.235 0.579 10 0 ACAEHO C[C@H](C[NH3+])SCCN(C)C 85306134 574031929 /nfs/dbraw/zinc/03/19/29/574031929.db2.gz BKVDGELXNONPFG-SSDOTTSWSA-N 1 3 162.302 0.628 10 0 ACAEHO C[C@@H](C[NH3+])SCCN(C)C 85306131 574032306 /nfs/dbraw/zinc/03/23/06/574032306.db2.gz BKVDGELXNONPFG-ZETCQYMHSA-N 1 3 162.302 0.628 10 0 ACAEHO CN1CC[C@H]([C@H]([NH3+])C2(CO)CCC2)C1 259292553 574036578 /nfs/dbraw/zinc/03/65/78/574036578.db2.gz HUVSOIJOUFDGCG-UWVGGRQHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@H](N)C2(CO)CCC2)C1 259292553 574036580 /nfs/dbraw/zinc/03/65/80/574036580.db2.gz HUVSOIJOUFDGCG-UWVGGRQHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CC[C@H]([C@H](N)C2(CO)CCC2)C1 259292553 574036583 /nfs/dbraw/zinc/03/65/83/574036583.db2.gz HUVSOIJOUFDGCG-UWVGGRQHSA-N 1 3 198.310 0.428 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])C2(CO)CCC2)C1 259292558 574036691 /nfs/dbraw/zinc/03/66/91/574036691.db2.gz HUVSOIJOUFDGCG-VHSXEESVSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@@H](N)C2(CO)CCC2)C1 259292558 574036694 /nfs/dbraw/zinc/03/66/94/574036694.db2.gz HUVSOIJOUFDGCG-VHSXEESVSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CC[C@H]([C@@H](N)C2(CO)CCC2)C1 259292558 574036698 /nfs/dbraw/zinc/03/66/98/574036698.db2.gz HUVSOIJOUFDGCG-VHSXEESVSA-N 1 3 198.310 0.428 10 0 ACAEHO CN1CCC[C@H](C(=O)C2C[NH2+]C2)C1 259292515 574036970 /nfs/dbraw/zinc/03/69/70/574036970.db2.gz VUZPRGHPNXLORU-QMMMGPOBSA-N 1 3 182.267 0.117 10 0 ACAEHO CN1CC[C@@H]([C@H]([NH3+])C2(CO)CCC2)C1 259292562 574037116 /nfs/dbraw/zinc/03/71/16/574037116.db2.gz HUVSOIJOUFDGCG-ZJUUUORDSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@H](N)C2(CO)CCC2)C1 259292562 574037119 /nfs/dbraw/zinc/03/71/19/574037119.db2.gz HUVSOIJOUFDGCG-ZJUUUORDSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@H](N)C2(CO)CCC2)C1 259292562 574037121 /nfs/dbraw/zinc/03/71/21/574037121.db2.gz HUVSOIJOUFDGCG-ZJUUUORDSA-N 1 3 198.310 0.428 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])C2(CO)CCC2)C1 259292548 574037189 /nfs/dbraw/zinc/03/71/89/574037189.db2.gz HUVSOIJOUFDGCG-NXEZZACHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@H](N)C2(CO)CCC2)C1 259292548 574037191 /nfs/dbraw/zinc/03/71/91/574037191.db2.gz HUVSOIJOUFDGCG-NXEZZACHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@H](N)C2(CO)CCC2)C1 259292548 574037195 /nfs/dbraw/zinc/03/71/95/574037195.db2.gz HUVSOIJOUFDGCG-NXEZZACHSA-N 1 3 198.310 0.428 10 0 ACAEHO CO[C@@]1(C)CCN(C[C@H](C)C(N)=[NH2+])C1 388681105 574038510 /nfs/dbraw/zinc/03/85/10/574038510.db2.gz HDQNHXCXKNYGLF-WPRPVWTQSA-N 1 3 199.298 0.669 10 0 ACAEHO CC(C)[N@H+](CCCN)CC(C)(C)O 690106774 574038899 /nfs/dbraw/zinc/03/88/99/574038899.db2.gz YPFUGKUSAFVKTD-UHFFFAOYSA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)[N@@H+](CCCN)CC(C)(C)O 690106774 574038901 /nfs/dbraw/zinc/03/89/01/574038901.db2.gz YPFUGKUSAFVKTD-UHFFFAOYSA-N 1 3 188.315 0.817 10 0 ACAEHO C[NH2+][C@@H](c1ccccc1)[C@@H](O)CN 259296251 574041772 /nfs/dbraw/zinc/04/17/72/574041772.db2.gz IWKVLSFRCDYBPK-UWVGGRQHSA-N 1 3 180.251 0.267 10 0 ACAEHO C[C@H](CCN(C)C)[NH2+]CCN(C)C 49557688 574043270 /nfs/dbraw/zinc/04/32/70/574043270.db2.gz RXSFMLODFDKAGF-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO C[C@H](CC[NH+](C)C)NCCN(C)C 49557688 574043273 /nfs/dbraw/zinc/04/32/73/574043273.db2.gz RXSFMLODFDKAGF-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO NCc1cnoc1CC1CC[NH2+]CC1 259297739 574043313 /nfs/dbraw/zinc/04/33/13/574043313.db2.gz QNJLGULTPXOWJE-UHFFFAOYSA-N 1 3 195.266 0.675 10 0 ACAEHO CN(C)CCN(C)[C@H]1C[NH2+]C(C)(C)C1 131824870 574047449 /nfs/dbraw/zinc/04/74/49/574047449.db2.gz ROCFRKHGBZOIFW-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H]1C[NH2+][C@@H]1[C@@H]1CCN(C)C1 259300241 574047511 /nfs/dbraw/zinc/04/75/11/574047511.db2.gz SJFRDRQMRKMRFB-HLTSFMKQSA-N 1 3 154.257 0.546 10 0 ACAEHO CN1CCC[C@H](C(=O)[C@H]2CCC[NH2+]2)C1 259300580 574047613 /nfs/dbraw/zinc/04/76/13/574047613.db2.gz WFBGBTYBBMRMHY-VHSXEESVSA-N 1 3 196.294 0.649 10 0 ACAEHO CN1CCC[C@@H](C(=O)[C@@H]2CCC[NH2+]2)C1 259300583 574047907 /nfs/dbraw/zinc/04/79/07/574047907.db2.gz WFBGBTYBBMRMHY-ZJUUUORDSA-N 1 3 196.294 0.649 10 0 ACAEHO CN1CCC[C@@H](C(=O)[C@H]2CCC[NH2+]2)C1 259300571 574047966 /nfs/dbraw/zinc/04/79/66/574047966.db2.gz WFBGBTYBBMRMHY-NXEZZACHSA-N 1 3 196.294 0.649 10 0 ACAEHO C[NH2+]CCNc1cc(N)c(C)cn1 1156893565 760717107 /nfs/dbraw/zinc/71/71/07/760717107.db2.gz LDIGOVQQOAWJHT-UHFFFAOYSA-N 1 3 180.255 0.604 10 0 ACAEHO C[NH2+]C1CN(c2cc(N)c(C)cn2)C1 1163706102 760847788 /nfs/dbraw/zinc/84/77/88/760847788.db2.gz HSAQTYCEYMOONX-UHFFFAOYSA-N 1 3 192.266 0.380 10 0 ACAEHO Cc1cnc(N(C)CC[NH3+])cc1N 1163688274 760848498 /nfs/dbraw/zinc/84/84/98/760848498.db2.gz WMDICSLCHCWXLA-UHFFFAOYSA-N 1 3 180.255 0.367 10 0 ACAEHO NCc1cccc(N2CC[C@H]([NH3+])C2)n1 1164286616 760853633 /nfs/dbraw/zinc/85/36/33/760853633.db2.gz TWHPYSMZTPVOGQ-QMMMGPOBSA-N 1 3 192.266 0.078 10 0 ACAEHO NCc1cccc(N2CC[C@@H]([NH3+])C2)n1 1164286615 760854165 /nfs/dbraw/zinc/85/41/65/760854165.db2.gz TWHPYSMZTPVOGQ-MRVPVSSYSA-N 1 3 192.266 0.078 10 0 ACAEHO Cc1cnc(N(C)C2C[NH2+]C2)cc1N 1166978730 760862416 /nfs/dbraw/zinc/86/24/16/760862416.db2.gz ZFVCFCBPZAKSCN-UHFFFAOYSA-N 1 3 192.266 0.380 10 0 ACAEHO Cn1cncc1NC[C@@H]1CCCC[NH2+]1 1171329368 761080148 /nfs/dbraw/zinc/08/01/48/761080148.db2.gz IZUZILMANUUWDX-VIFPVBQESA-N 1 3 194.282 0.974 10 0 ACAEHO Cn1cncc1NC[C@H]1CCCC[NH2+]1 1171329366 761081328 /nfs/dbraw/zinc/08/13/28/761081328.db2.gz IZUZILMANUUWDX-SECBINFHSA-N 1 3 194.282 0.974 10 0 ACAEHO CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 1176630087 761441776 /nfs/dbraw/zinc/44/17/76/761441776.db2.gz ZYANAADEAVFXNG-ZJUUUORDSA-N 1 3 168.284 0.890 10 0 ACAEHO CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 1176630087 761441784 /nfs/dbraw/zinc/44/17/84/761441784.db2.gz ZYANAADEAVFXNG-ZJUUUORDSA-N 1 3 168.284 0.890 10 0 ACAEHO C[C@@H](N)C[NH+]1CCC2(CC1)COC2 1204748972 761863877 /nfs/dbraw/zinc/86/38/77/761863877.db2.gz VDBWVVSIBKJRAM-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@H](N)C[NH+]1CCC2(CC1)COC2 1204748973 761864825 /nfs/dbraw/zinc/86/48/25/761864825.db2.gz VDBWVVSIBKJRAM-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO CC1(C[N@@H+]2CC[C@@](C)(N)C2)COC1 1204763115 761865722 /nfs/dbraw/zinc/86/57/22/761865722.db2.gz GQEMQROHPKJOFT-SNVBAGLBSA-N 1 3 184.283 0.446 10 0 ACAEHO CC1(C[N@H+]2CC[C@@](C)(N)C2)COC1 1204763115 761865723 /nfs/dbraw/zinc/86/57/23/761865723.db2.gz GQEMQROHPKJOFT-SNVBAGLBSA-N 1 3 184.283 0.446 10 0 ACAEHO CC1(C[N@H+]2CC[C@](C)(N)C2)COC1 1204763113 761866678 /nfs/dbraw/zinc/86/66/78/761866678.db2.gz GQEMQROHPKJOFT-JTQLQIEISA-N 1 3 184.283 0.446 10 0 ACAEHO CC1(C[N@@H+]2CC[C@](C)(N)C2)COC1 1204763113 761866676 /nfs/dbraw/zinc/86/66/76/761866676.db2.gz GQEMQROHPKJOFT-JTQLQIEISA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H]1CCNCC[N@@H+]1CCCO 1205326273 761917121 /nfs/dbraw/zinc/91/71/21/761917121.db2.gz XNZXXXAGRCIIRV-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@@H]1CCNCC[N@H+]1CCCO 1205326273 761917130 /nfs/dbraw/zinc/91/71/30/761917130.db2.gz XNZXXXAGRCIIRV-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H]1CCNCC[N@@H+]1CCCO 1205326274 761917348 /nfs/dbraw/zinc/91/73/48/761917348.db2.gz XNZXXXAGRCIIRV-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H]1CCNCC[N@H+]1CCCO 1205326274 761917350 /nfs/dbraw/zinc/91/73/50/761917350.db2.gz XNZXXXAGRCIIRV-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@@H]1CC[N@H+](CC2(C)COC2)C[C@@H]1N 1205863221 762014674 /nfs/dbraw/zinc/01/46/74/762014674.db2.gz KOISZDOZKPFGPW-ZJUUUORDSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC2(C)COC2)C[C@@H]1N 1205863221 762014689 /nfs/dbraw/zinc/01/46/89/762014689.db2.gz KOISZDOZKPFGPW-ZJUUUORDSA-N 1 3 198.310 0.692 10 0 ACAEHO Nc1cc(O[C@H]2CC[NH2+]C2)ccn1 1218177033 763940311 /nfs/dbraw/zinc/94/03/11/763940311.db2.gz NCZRVTFXYPZQBZ-QMMMGPOBSA-N 1 3 179.223 0.405 10 0 ACAEHO Nc1cc(O[C@@H]2CCC[NH2+]C2)ccn1 1218282579 763944071 /nfs/dbraw/zinc/94/40/71/763944071.db2.gz YJNNICYUFVFLNJ-SECBINFHSA-N 1 3 193.250 0.795 10 0 ACAEHO Nc1cc(O[C@H]2CCC[NH2+]C2)ccn1 1218282581 763945386 /nfs/dbraw/zinc/94/53/86/763945386.db2.gz YJNNICYUFVFLNJ-VIFPVBQESA-N 1 3 193.250 0.795 10 0 ACAEHO NCC[N@@H+]1C[C@H]2CC(F)(F)C[C@H]2C1 1235089698 764589076 /nfs/dbraw/zinc/58/90/76/764589076.db2.gz QINSOCFUZSFMKZ-OCAPTIKFSA-N 1 3 190.237 0.922 10 0 ACAEHO NCC[N@H+]1C[C@H]2CC(F)(F)C[C@H]2C1 1235089698 764589079 /nfs/dbraw/zinc/58/90/79/764589079.db2.gz QINSOCFUZSFMKZ-OCAPTIKFSA-N 1 3 190.237 0.922 10 0 ACAEHO CN(CCCC[NH3+])C1(C)COC1 1235929401 764613010 /nfs/dbraw/zinc/61/30/10/764613010.db2.gz NYGJOSPXMYICLX-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO CC1(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)COC1 1235979548 764614648 /nfs/dbraw/zinc/61/46/48/764614648.db2.gz MSACBWHSCVJZBO-ONGXEEELSA-N 1 3 196.294 0.446 10 0 ACAEHO CC1(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)COC1 1235979548 764614655 /nfs/dbraw/zinc/61/46/55/764614655.db2.gz MSACBWHSCVJZBO-ONGXEEELSA-N 1 3 196.294 0.446 10 0 ACAEHO C[C@@H]([NH3+])CN1CCC[C@H]1C(C)(C)O 1236004756 764621893 /nfs/dbraw/zinc/62/18/93/764621893.db2.gz DYZASHKIGMRQSF-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]([NH3+])CN1CCC[C@H]1C(C)(C)O 1236004758 764622864 /nfs/dbraw/zinc/62/28/64/764622864.db2.gz DYZASHKIGMRQSF-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]([NH3+])CN1CCC[C@@H]1C(C)(C)O 1236004757 764624115 /nfs/dbraw/zinc/62/41/15/764624115.db2.gz DYZASHKIGMRQSF-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]([NH3+])CN1CCC[C@@H]1C(C)(C)O 1236004759 764624442 /nfs/dbraw/zinc/62/44/42/764624442.db2.gz DYZASHKIGMRQSF-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO CCN1C[C@@H]2C[C@H]1CN2C[C@H](C)[NH3+] 1237115263 764677975 /nfs/dbraw/zinc/67/79/75/764677975.db2.gz UEGZIQTZLNULCB-GUBZILKMSA-N 1 3 183.299 0.112 10 0 ACAEHO CCN1C[C@@H]2C[C@H]1CN2C[C@@H](C)[NH3+] 1237115383 764680429 /nfs/dbraw/zinc/68/04/29/764680429.db2.gz UEGZIQTZLNULCB-UTLUCORTSA-N 1 3 183.299 0.112 10 0 ACAEHO CC[C@@H](O)CN[C@H]1CCCC[C@H]1[NH3+] 1246019092 765142403 /nfs/dbraw/zinc/14/24/03/765142403.db2.gz NVGADUFECAEAJZ-BBBLOLIVSA-N 1 3 186.299 0.617 10 0 ACAEHO OC1(CNC2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1 1246078718 765162068 /nfs/dbraw/zinc/16/20/68/765162068.db2.gz ALRAQHABEMAGOJ-ULKQDVFKSA-N 1 3 196.294 0.384 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](O)C2)CCN1 1246079206 765171201 /nfs/dbraw/zinc/17/12/01/765171201.db2.gz BYXIKMXIJSHUNZ-LMLFDSFASA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@H]1C[C@H](NCC2(O)CC2)CC[NH2+]1 1246080663 765174999 /nfs/dbraw/zinc/17/49/99/765174999.db2.gz IYYRKEYVPSIUOK-DTWKUNHWSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]CC2(O)CC2)CCN1 1246080663 765175014 /nfs/dbraw/zinc/17/50/14/765175014.db2.gz IYYRKEYVPSIUOK-DTWKUNHWSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 1246087779 765175282 /nfs/dbraw/zinc/17/52/82/765175282.db2.gz PWUQBOOQPBGACI-VHSXEESVSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)C2)CCN1 1246089856 765176147 /nfs/dbraw/zinc/17/61/47/765176147.db2.gz BYXIKMXIJSHUNZ-YTWAJWBKSA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@@H]1C[C@H](NCC2(O)CC2)CC[NH2+]1 1246080666 765177085 /nfs/dbraw/zinc/17/70/85/765177085.db2.gz IYYRKEYVPSIUOK-RKDXNWHRSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CC2(O)CC2)CCN1 1246080666 765177104 /nfs/dbraw/zinc/17/71/04/765177104.db2.gz IYYRKEYVPSIUOK-RKDXNWHRSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1C[C@@H](NCC2(O)CC2)CC[NH2+]1 1246080661 765177727 /nfs/dbraw/zinc/17/77/27/765177727.db2.gz IYYRKEYVPSIUOK-BDAKNGLRSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CC2)CCN1 1246080661 765177751 /nfs/dbraw/zinc/17/77/51/765177751.db2.gz IYYRKEYVPSIUOK-BDAKNGLRSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H]1C[C@@H](NCC2(O)CC2)CC[NH2+]1 1246080665 765179315 /nfs/dbraw/zinc/17/93/15/765179315.db2.gz IYYRKEYVPSIUOK-IUCAKERBSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]CC2(O)CC2)CCN1 1246080665 765179327 /nfs/dbraw/zinc/17/93/27/765179327.db2.gz IYYRKEYVPSIUOK-IUCAKERBSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@H]1CC[C@H]([NH2+]C2CCNCC2)C1 1246092832 765180114 /nfs/dbraw/zinc/18/01/14/765180114.db2.gz PWUQBOOQPBGACI-UWVGGRQHSA-N 1 3 184.283 0.241 10 0 ACAEHO NCc1ccn(C2CC[NH2+]CC2)n1 1246175844 765198567 /nfs/dbraw/zinc/19/85/67/765198567.db2.gz CBLMBWPCAABDBV-UHFFFAOYSA-N 1 3 180.255 0.266 10 0 ACAEHO NCc1ccn([C@@H]2CCC[NH2+]C2)n1 1246176567 765199726 /nfs/dbraw/zinc/19/97/26/765199726.db2.gz GFPNLNCCBFHJKC-SECBINFHSA-N 1 3 180.255 0.266 10 0 ACAEHO NCc1ccn([C@H]2CCC[NH2+]C2)n1 1246176568 765201406 /nfs/dbraw/zinc/20/14/06/765201406.db2.gz GFPNLNCCBFHJKC-VIFPVBQESA-N 1 3 180.255 0.266 10 0 ACAEHO C[C@@H]1C[C@@H](NC[C@H]2CCO2)CC[NH2+]1 1246195195 765207035 /nfs/dbraw/zinc/20/70/35/765207035.db2.gz KXVJVHCZIAYAHG-KXUCPTDWSA-N 1 3 184.283 0.505 10 0 ACAEHO C1CC(NC[C@H]2CCO2)CC[NH2+]1 1246193487 765208558 /nfs/dbraw/zinc/20/85/58/765208558.db2.gz FWSBINYBLNEZQN-SECBINFHSA-N 1 3 170.256 0.117 10 0 ACAEHO C1C[C@@H](CNC2C[C@@H]3CC[C@H](C2)[NH2+]3)O1 1246199817 765208803 /nfs/dbraw/zinc/20/88/03/765208803.db2.gz YFHIWJCTOXACMU-IXMYILBSSA-N 1 3 196.294 0.648 10 0 ACAEHO C[C@@H]1C[C@H](NC[C@H]2CCO2)CC[NH2+]1 1246195196 765209337 /nfs/dbraw/zinc/20/93/37/765209337.db2.gz KXVJVHCZIAYAHG-OPRDCNLKSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H](CO)C[NH2+][C@H]1CCN[C@H](C)C1 1246192254 765210175 /nfs/dbraw/zinc/21/01/75/765210175.db2.gz GUFWEKFETWCYAB-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]1C[C@H](NC[C@@H]2CCO2)CC[NH2+]1 1246195194 765212137 /nfs/dbraw/zinc/21/21/37/765212137.db2.gz KXVJVHCZIAYAHG-BBBLOLIVSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H](CO)C[NH2+][C@@H]1CCN[C@H](C)C1 1246192255 765213795 /nfs/dbraw/zinc/21/37/95/765213795.db2.gz GUFWEKFETWCYAB-OPRDCNLKSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]1C[C@@H](NC[C@@H]2CCO2)CC[NH2+]1 1246195197 765214163 /nfs/dbraw/zinc/21/41/63/765214163.db2.gz KXVJVHCZIAYAHG-UTLUCORTSA-N 1 3 184.283 0.505 10 0 ACAEHO C1CC(NC[C@@H]2CCO2)CC[NH2+]1 1246193488 765214447 /nfs/dbraw/zinc/21/44/47/765214447.db2.gz FWSBINYBLNEZQN-VIFPVBQESA-N 1 3 170.256 0.117 10 0 ACAEHO C1C[C@H](CNC2C[C@@H]3CC[C@H](C2)[NH2+]3)O1 1246199818 765214476 /nfs/dbraw/zinc/21/44/76/765214476.db2.gz YFHIWJCTOXACMU-KJLIAQIISA-N 1 3 196.294 0.648 10 0 ACAEHO CC1(C)C[C@@H](CNC2CC[NH2+]CC2)O1 1246224314 765215773 /nfs/dbraw/zinc/21/57/73/765215773.db2.gz WCCFAMFOPQGQNY-JTQLQIEISA-N 1 3 198.310 0.896 10 0 ACAEHO C1CC([NH2+]C2CC3(COC3)C2)CCN1 1246214201 765217559 /nfs/dbraw/zinc/21/75/59/765217559.db2.gz YYUSLLNJJDKCAD-UHFFFAOYSA-N 1 3 196.294 0.507 10 0 ACAEHO CC1(C)C[C@H](CNC2CC[NH2+]CC2)O1 1246224315 765219226 /nfs/dbraw/zinc/21/92/26/765219226.db2.gz WCCFAMFOPQGQNY-SNVBAGLBSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+][C@H](C)CCO)CCN1 1246224751 765221049 /nfs/dbraw/zinc/22/10/49/765221049.db2.gz AXMPALKZQOZYDA-UTLUCORTSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H]1C[C@@H](N[C@H](C)CCO)CC[NH2+]1 1246224751 765221055 /nfs/dbraw/zinc/22/10/55/765221055.db2.gz AXMPALKZQOZYDA-UTLUCORTSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H]1C[C@H]([NH2+][C@H](C)CCO)CCN1 1246224748 765221424 /nfs/dbraw/zinc/22/14/24/765221424.db2.gz AXMPALKZQOZYDA-KXUCPTDWSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H]1C[C@H](N[C@H](C)CCO)CC[NH2+]1 1246224748 765221431 /nfs/dbraw/zinc/22/14/31/765221431.db2.gz AXMPALKZQOZYDA-KXUCPTDWSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](O)CC[NH2+][C@@H]1CCN[C@H](C)C1 1246351919 765254759 /nfs/dbraw/zinc/25/47/59/765254759.db2.gz IWNFOXDOMDUJKH-OPRDCNLKSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](O)CCN[C@@H]1CC[NH2+][C@H](C)C1 1246351919 765254773 /nfs/dbraw/zinc/25/47/73/765254773.db2.gz IWNFOXDOMDUJKH-OPRDCNLKSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](O)CC[NH2+][C@H]1CCN[C@H](C)C1 1246351913 765254811 /nfs/dbraw/zinc/25/48/11/765254811.db2.gz IWNFOXDOMDUJKH-BBBLOLIVSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](O)CCN[C@H]1CC[NH2+][C@H](C)C1 1246351913 765254826 /nfs/dbraw/zinc/25/48/26/765254826.db2.gz IWNFOXDOMDUJKH-BBBLOLIVSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H]1C[C@H](N2CC[C@@H](O)C2)CC[NH2+]1 1246528686 765279591 /nfs/dbraw/zinc/27/95/91/765279591.db2.gz BKXLJJQAAAPPFL-IVZWLZJFSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@H]([N@@H+]2CC[C@@H](O)C2)CCN1 1246528686 765279603 /nfs/dbraw/zinc/27/96/03/765279603.db2.gz BKXLJJQAAAPPFL-IVZWLZJFSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@H]([N@H+]2CC[C@@H](O)C2)CCN1 1246528686 765279615 /nfs/dbraw/zinc/27/96/15/765279615.db2.gz BKXLJJQAAAPPFL-IVZWLZJFSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@@H](N2CC[C@@H](O)C2)CC[NH2+]1 1246528690 765282290 /nfs/dbraw/zinc/28/22/90/765282290.db2.gz BKXLJJQAAAPPFL-LPEHRKFASA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C2)CCN1 1246528690 765282298 /nfs/dbraw/zinc/28/22/98/765282298.db2.gz BKXLJJQAAAPPFL-LPEHRKFASA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@@H]([N@H+]2CC[C@@H](O)C2)CCN1 1246528690 765282304 /nfs/dbraw/zinc/28/23/04/765282304.db2.gz BKXLJJQAAAPPFL-LPEHRKFASA-N 1 3 184.283 0.194 10 0 ACAEHO CN1C[C@@H]2C[C@H]1CN2C1CC[NH2+]CC1 1246829949 765319344 /nfs/dbraw/zinc/31/93/44/765319344.db2.gz PUCLSCNHRXNOKL-QWRGUYRKSA-N 1 3 195.310 0.127 10 0 ACAEHO C[C@@H]1CN(CCCC[NH3+])[C@H](C)CO1 35782991 1169073890 /nfs/dbraw/zinc/07/38/90/1169073890.db2.gz JNEOBNZTURYJEO-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCNC[C@@H](O)C[NH+](CC)CC 36950333 1169074283 /nfs/dbraw/zinc/07/42/83/1169074283.db2.gz XFKAOZBPONACKY-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CCNC[C@H](O)C[NH+](CC)CC 36950332 1169075183 /nfs/dbraw/zinc/07/51/83/1169075183.db2.gz XFKAOZBPONACKY-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO CC[C@H](CO)[NH2+]C1CCNCC1 38040767 1169078543 /nfs/dbraw/zinc/07/85/43/1169078543.db2.gz NBVIKXDTFKMJCF-MRVPVSSYSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@H](CO)NC1CC[NH2+]CC1 38040767 1169078557 /nfs/dbraw/zinc/07/85/57/1169078557.db2.gz NBVIKXDTFKMJCF-MRVPVSSYSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@@H](CO)[NH2+]C1CCNCC1 38040766 1169079302 /nfs/dbraw/zinc/07/93/02/1169079302.db2.gz NBVIKXDTFKMJCF-QMMMGPOBSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@@H](CO)NC1CC[NH2+]CC1 38040766 1169079313 /nfs/dbraw/zinc/07/93/13/1169079313.db2.gz NBVIKXDTFKMJCF-QMMMGPOBSA-N 1 3 172.272 0.099 10 0 ACAEHO CC(C)(CO)[NH2+]C1CCNCC1 38040768 1169081375 /nfs/dbraw/zinc/08/13/75/1169081375.db2.gz OTGHHIMSTMARQO-UHFFFAOYSA-N 1 3 172.272 0.099 10 0 ACAEHO CC(C)(CO)NC1CC[NH2+]CC1 38040768 1169081388 /nfs/dbraw/zinc/08/13/88/1169081388.db2.gz OTGHHIMSTMARQO-UHFFFAOYSA-N 1 3 172.272 0.099 10 0 ACAEHO [NH3+]CCCCN1C[C@@H]2C[C@H]1CO2 39291696 1169085962 /nfs/dbraw/zinc/08/59/62/1169085962.db2.gz NESNZOREZACZKI-IUCAKERBSA-N 1 3 170.256 0.198 10 0 ACAEHO CCN1CCN(CC[NH+](C)C)CC1 41203289 1169089498 /nfs/dbraw/zinc/08/94/98/1169089498.db2.gz IZHLTDZACYWRKP-UHFFFAOYSA-N 1 3 185.315 0.186 10 0 ACAEHO OCCCCC[N@@H+]1CCCNCC1 51019518 1169092225 /nfs/dbraw/zinc/09/22/25/1169092225.db2.gz QUPJQICPZOHDDC-UHFFFAOYSA-N 1 3 186.299 0.444 10 0 ACAEHO OCCCCC[N@H+]1CCCNCC1 51019518 1169092229 /nfs/dbraw/zinc/09/22/29/1169092229.db2.gz QUPJQICPZOHDDC-UHFFFAOYSA-N 1 3 186.299 0.444 10 0 ACAEHO C[N@H+](CCCN)CCCCCO 51020207 1169092331 /nfs/dbraw/zinc/09/23/31/1169092331.db2.gz NBQFOIWTXIKEPK-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO C[N@@H+](CCCN)CCCCCO 51020207 1169092340 /nfs/dbraw/zinc/09/23/40/1169092340.db2.gz NBQFOIWTXIKEPK-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CN(CCC[NH3+])CCCCCO 51020207 1169092348 /nfs/dbraw/zinc/09/23/48/1169092348.db2.gz NBQFOIWTXIKEPK-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CN(CCCCO)CCC[NH+](C)C 80081066 1169103201 /nfs/dbraw/zinc/10/32/01/1169103201.db2.gz JDDDRJBLNYLOAL-UHFFFAOYSA-N 1 3 188.315 0.642 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)[C@@H](C)[NH2+]1 757215375 673917370 /nfs/dbraw/zinc/91/73/70/673917370.db2.gz NFXCRJIDWMIHNJ-PRJMDXOYSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1CC[C@H](CN)[C@@H](C)[NH2+]1 757215371 673917532 /nfs/dbraw/zinc/91/75/32/673917532.db2.gz NFXCRJIDWMIHNJ-BWZBUEFSSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]1C[C@@H](C)NC[C@@H]1[NH3+] 757216011 673917719 /nfs/dbraw/zinc/91/77/19/673917719.db2.gz OGIBHSYTWRHZNR-XVMARJQXSA-N 1 3 128.219 0.332 10 0 ACAEHO [NH3+]CCN1CC(N2CCCCC2)C1 107171721 1169143206 /nfs/dbraw/zinc/14/32/06/1169143206.db2.gz WDTUMVFZDCZHBV-UHFFFAOYSA-N 1 3 183.299 0.115 10 0 ACAEHO C[C@H]([NH3+])CN1CC(N2CCCC2)C1 107171713 1169143256 /nfs/dbraw/zinc/14/32/56/1169143256.db2.gz JSMKYEVUTUSIBR-VIFPVBQESA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]([NH3+])CN1CC(N2CCCCC2)C1 107188215 1169144261 /nfs/dbraw/zinc/14/42/61/1169144261.db2.gz ZFVNCCTXSAYPEG-SNVBAGLBSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]([NH3+])CN1CC(N2CCCC2)C1 107171715 1169144426 /nfs/dbraw/zinc/14/44/26/1169144426.db2.gz JSMKYEVUTUSIBR-SECBINFHSA-N 1 3 183.299 0.114 10 0 ACAEHO CC1(C)C[C@@H](N2CC[C@@H]([NH3+])C2)CCO1 116883656 1169158281 /nfs/dbraw/zinc/15/82/81/1169158281.db2.gz YZGWURYLHYSMPP-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO CN(CCO)[C@@H]1CCC[NH2+]CC1 157412075 673938805 /nfs/dbraw/zinc/93/88/05/673938805.db2.gz APDLOIZSJAOPTM-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CC1(C)CCNC[C@@H]1[NH3+] 117309773 1169158947 /nfs/dbraw/zinc/15/89/47/1169158947.db2.gz SABNPWGBHHNECJ-LURJTMIESA-N 1 3 128.219 0.333 10 0 ACAEHO CC1(C)CCNC[C@H]1[NH3+] 117309776 1169159804 /nfs/dbraw/zinc/15/98/04/1169159804.db2.gz SABNPWGBHHNECJ-ZCFIWIBFSA-N 1 3 128.219 0.333 10 0 ACAEHO CC1(C)C[C@H](N2CC[C@@H]([NH3+])C2)CCO1 116883654 1169159820 /nfs/dbraw/zinc/15/98/20/1169159820.db2.gz YZGWURYLHYSMPP-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO CCN(CCCO)CCC[NH+](C)C 122047352 1169162299 /nfs/dbraw/zinc/16/22/99/1169162299.db2.gz ONVPMMSZHKHHFL-UHFFFAOYSA-N 1 3 188.315 0.642 10 0 ACAEHO CO[C@H]1C[C@@H](CN2CCC[C@H]2C[NH3+])C1 721914844 673945263 /nfs/dbraw/zinc/94/52/63/673945263.db2.gz PMAMTHAMPXTWHE-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H](CO)N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C 925614706 673946328 /nfs/dbraw/zinc/94/63/28/673946328.db2.gz JMFBDKBLRHFTMT-LADJIXMOSA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@@H](CO)N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C 925614705 673946343 /nfs/dbraw/zinc/94/63/43/673946343.db2.gz JMFBDKBLRHFTMT-HWUMTFDVSA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@@H](CO)N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@H]1C 925614709 673946463 /nfs/dbraw/zinc/94/64/63/673946463.db2.gz JMFBDKBLRHFTMT-OGBGREFGSA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@@H](CO)N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C 925614707 673946502 /nfs/dbraw/zinc/94/65/02/673946502.db2.gz JMFBDKBLRHFTMT-MFDAYCCISA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@H]1CN(C)C[C@H]1N[C@@H]1C[NH2+]C[C@H]1C 925782921 673950755 /nfs/dbraw/zinc/95/07/55/673950755.db2.gz MEIFIOYOTWXSCF-LMLFDSFASA-N 1 3 197.326 0.134 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CN(C)C[C@H]1C 925782915 673950776 /nfs/dbraw/zinc/95/07/76/673950776.db2.gz MEIFIOYOTWXSCF-DBIOUOCHSA-N 1 3 197.326 0.134 10 0 ACAEHO C[C@H]1CN(C)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C 925782922 673951100 /nfs/dbraw/zinc/95/11/00/673951100.db2.gz MEIFIOYOTWXSCF-YTWAJWBKSA-N 1 3 197.326 0.134 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CN(C)C[C@H]1C 925782918 673951137 /nfs/dbraw/zinc/95/11/37/673951137.db2.gz MEIFIOYOTWXSCF-GWOFURMSSA-N 1 3 197.326 0.134 10 0 ACAEHO CC(C)[C@H](O)CNCCC[NH+](C)C 125791282 1169172424 /nfs/dbraw/zinc/17/24/24/1169172424.db2.gz GSHVWWJGYYGYPG-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO CCC[C@H](O)CNCCC[NH+](C)C 125794513 1169172923 /nfs/dbraw/zinc/17/29/23/1169172923.db2.gz AHFAMZHAIWJNRO-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO C[NH+](C)CCCNC[C@H](O)C1CC1 125740883 1169172979 /nfs/dbraw/zinc/17/29/79/1169172979.db2.gz CVMDYNQDWKUKLG-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)[C@@H](O)CNCCC[NH+](C)C 125791453 1169172997 /nfs/dbraw/zinc/17/29/97/1169172997.db2.gz GSHVWWJGYYGYPG-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO C[NH+](C)CCCNC[C@@H](O)C1CC1 125741180 1169173157 /nfs/dbraw/zinc/17/31/57/1169173157.db2.gz CVMDYNQDWKUKLG-SNVBAGLBSA-N 1 3 186.299 0.299 10 0 ACAEHO OC1(C[NH2+]C2CCNCC2)CCC1 131133595 1169182540 /nfs/dbraw/zinc/18/25/40/1169182540.db2.gz KAYHWJRFLAXJQJ-UHFFFAOYSA-N 1 3 184.283 0.243 10 0 ACAEHO OC1(CNC2CC[NH2+]CC2)CCC1 131133595 1169182542 /nfs/dbraw/zinc/18/25/42/1169182542.db2.gz KAYHWJRFLAXJQJ-UHFFFAOYSA-N 1 3 184.283 0.243 10 0 ACAEHO C[C@@H](CCO)[NH2+]C1CCNCC1 132438453 1169185697 /nfs/dbraw/zinc/18/56/97/1169185697.db2.gz IMKOTYKNUMEIER-QMMMGPOBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H](CCO)NC1CC[NH2+]CC1 132438453 1169185701 /nfs/dbraw/zinc/18/57/01/1169185701.db2.gz IMKOTYKNUMEIER-QMMMGPOBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H](CCO)[NH2+]C1CCNCC1 132438665 1169186749 /nfs/dbraw/zinc/18/67/49/1169186749.db2.gz IMKOTYKNUMEIER-MRVPVSSYSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H](CCO)NC1CC[NH2+]CC1 132438665 1169186751 /nfs/dbraw/zinc/18/67/51/1169186751.db2.gz IMKOTYKNUMEIER-MRVPVSSYSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H]1CC(N2CC[C@H]([NH3+])C2)C[C@@H](C)O1 133527728 1169187747 /nfs/dbraw/zinc/18/77/47/1169187747.db2.gz IDYDJFMUFXPELR-BBBLOLIVSA-N 1 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C[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 702267967 673980509 /nfs/dbraw/zinc/98/05/09/673980509.db2.gz CKGZBHSEMHEVHF-OUAUKWLOSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 702267967 673980514 /nfs/dbraw/zinc/98/05/14/673980514.db2.gz CKGZBHSEMHEVHF-OUAUKWLOSA-N 1 3 198.310 0.251 10 0 ACAEHO COC1CC(C[N@@H+]2CCC[C@@H](N)C2)C1 703125376 673981199 /nfs/dbraw/zinc/98/11/99/673981199.db2.gz FVEAVSBZHBIYLR-HSOILSAZSA-N 1 3 198.310 0.835 10 0 ACAEHO COC1CC(C[N@H+]2CCC[C@@H](N)C2)C1 703125376 673981201 /nfs/dbraw/zinc/98/12/01/673981201.db2.gz FVEAVSBZHBIYLR-HSOILSAZSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@H](O)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 703576546 673983395 /nfs/dbraw/zinc/98/33/95/673983395.db2.gz OBUSFPHKZNTXLY-GARJFASQSA-N 1 3 198.310 0.299 10 0 ACAEHO COC1CC(CN2CCC[C@H]2C[NH3+])C1 703832347 673984249 /nfs/dbraw/zinc/98/42/49/673984249.db2.gz PMAMTHAMPXTWHE-YVNMAJEFSA-N 1 3 198.310 0.835 10 0 ACAEHO COC1CC(CN2CCC[C@@H]2C[NH3+])C1 703832345 673984689 /nfs/dbraw/zinc/98/46/89/673984689.db2.gz PMAMTHAMPXTWHE-HSOILSAZSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@@H](CN2CCC([NH3+])CC2)C1 709025050 673992787 /nfs/dbraw/zinc/99/27/87/673992787.db2.gz QRTOIAICTUEOIC-JGZJWPJOSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)C1 709108040 673993030 /nfs/dbraw/zinc/99/30/30/673993030.db2.gz FVEAVSBZHBIYLR-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)C1 709108040 673993033 /nfs/dbraw/zinc/99/30/33/673993033.db2.gz FVEAVSBZHBIYLR-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)C1 709108038 673993403 /nfs/dbraw/zinc/99/34/03/673993403.db2.gz FVEAVSBZHBIYLR-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)C1 709108038 673993406 /nfs/dbraw/zinc/99/34/06/673993406.db2.gz FVEAVSBZHBIYLR-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H](O)CN1CC[C@]2(CCC[NH2+]C2)C1 709971945 673994647 /nfs/dbraw/zinc/99/46/47/673994647.db2.gz QDLPPXWZSBBVEN-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](O)CN1CC[C@@]2(CCC[NH2+]C2)C1 709971918 673994901 /nfs/dbraw/zinc/99/49/01/673994901.db2.gz QDLPPXWZSBBVEN-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](O)CN1CC[C@@]2(CCC[NH2+]C2)C1 709971948 673995576 /nfs/dbraw/zinc/99/55/76/673995576.db2.gz QDLPPXWZSBBVEN-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](O)CN1CC[C@]2(CCC[NH2+]C2)C1 709971943 673995686 /nfs/dbraw/zinc/99/56/86/673995686.db2.gz QDLPPXWZSBBVEN-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2CO)CCN1 143355683 1169214822 /nfs/dbraw/zinc/21/48/22/1169214822.db2.gz ATGCIJOMVVWJRN-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2CO)CCN1 143355683 1169214832 /nfs/dbraw/zinc/21/48/32/1169214832.db2.gz ATGCIJOMVVWJRN-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO Cc1cc(NC[C@@H]2CCN2C)cc[nH+]1 712565574 674012367 /nfs/dbraw/zinc/01/23/67/674012367.db2.gz QVLNJSPBNSEPOY-NSHDSACASA-N 1 3 191.278 0.928 10 0 ACAEHO Cc1cc(NC[C@H]2CCN2C)cc[nH+]1 712565573 674012450 /nfs/dbraw/zinc/01/24/50/674012450.db2.gz QVLNJSPBNSEPOY-LLVKDONJSA-N 1 3 191.278 0.928 10 0 ACAEHO C[C@@H](O)CN1CC[NH2+]CCC1(C)C 712597045 674011463 /nfs/dbraw/zinc/01/14/63/674011463.db2.gz ADKVIGBQUJKXME-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO COCC[N@@H+]1CCNCCC12CCC2 713160923 674013339 /nfs/dbraw/zinc/01/33/39/674013339.db2.gz ZICSJUBQAJRTGH-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO COCC[N@H+]1CCNCCC12CCC2 713160923 674013340 /nfs/dbraw/zinc/01/33/40/674013340.db2.gz ZICSJUBQAJRTGH-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO COCC1CC([NH2+][C@H](C)C2CNC2)C1 713962618 674016844 /nfs/dbraw/zinc/01/68/44/674016844.db2.gz UZVXBBHJUOKZCS-FKTRJACZSA-N 1 3 198.310 0.609 10 0 ACAEHO COCC1CC([NH2+]C2CCNCC2)C1 713977304 674016894 /nfs/dbraw/zinc/01/68/94/674016894.db2.gz DTMZDWUBHDWSHR-UHFFFAOYSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H]1C[C@H](C[NH2+][C@H](C)C2CNC2)C1 714588828 674017990 /nfs/dbraw/zinc/01/79/90/674017990.db2.gz QDJVLTOCZXSHMN-FXPVBKGRSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H]1C[C@H](C[NH2+][C@@H](C)C2CNC2)C1 714588829 674018030 /nfs/dbraw/zinc/01/80/30/674018030.db2.gz QDJVLTOCZXSHMN-QXEWZRGKSA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 715006829 674018233 /nfs/dbraw/zinc/01/82/33/674018233.db2.gz LBURTEIUYLNHOK-GARJFASQSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@H]2CNCC[C@H]21 715006829 674018235 /nfs/dbraw/zinc/01/82/35/674018235.db2.gz LBURTEIUYLNHOK-GARJFASQSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@H]2CNCC[C@H]21 715006829 674018237 /nfs/dbraw/zinc/01/82/37/674018237.db2.gz LBURTEIUYLNHOK-GARJFASQSA-N 1 3 198.310 0.441 10 0 ACAEHO OCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 714999144 674018366 /nfs/dbraw/zinc/01/83/66/674018366.db2.gz QCMRFJNLBIPFSP-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 715006813 674018577 /nfs/dbraw/zinc/01/85/77/674018577.db2.gz LBURTEIUYLNHOK-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 715006813 674018579 /nfs/dbraw/zinc/01/85/79/674018579.db2.gz LBURTEIUYLNHOK-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@@H]2CNCC[C@@H]21 715006813 674018581 /nfs/dbraw/zinc/01/85/81/674018581.db2.gz LBURTEIUYLNHOK-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO OCCN1CCC[C@H]2C[NH2+]CC[C@H]21 714999146 674018621 /nfs/dbraw/zinc/01/86/21/674018621.db2.gz QCMRFJNLBIPFSP-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 715006823 674018843 /nfs/dbraw/zinc/01/88/43/674018843.db2.gz LBURTEIUYLNHOK-DCAQKATOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@H]2CNCC[C@@H]21 715006823 674018844 /nfs/dbraw/zinc/01/88/44/674018844.db2.gz LBURTEIUYLNHOK-DCAQKATOSA-N 1 3 198.310 0.441 10 0 ACAEHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCNC2)C1 714731012 674018790 /nfs/dbraw/zinc/01/87/90/674018790.db2.gz UTZJQFNTAYRYPS-GUBZILKMSA-N 1 3 184.283 0.363 10 0 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/nfs/dbraw/zinc/02/73/34/674027334.db2.gz FNFNOKZYXFFKOD-BWZBUEFSSA-N 1 3 142.246 0.722 10 0 ACAEHO CN(CCO)[C@H]1CCC[NH2+]CC1 157412239 1169258726 /nfs/dbraw/zinc/25/87/26/1169258726.db2.gz APDLOIZSJAOPTM-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC(C)C[C@H](N)C[NH2+][C@@]12COC[C@@H]1C2 718012299 674058316 /nfs/dbraw/zinc/05/83/16/674058316.db2.gz BRDBJYGPDVAECC-DCAQKATOSA-N 1 3 198.310 0.738 10 0 ACAEHO CC(C)C[C@@H](N)C[NH2+][C@@]12COC[C@@H]1C2 718012298 674058332 /nfs/dbraw/zinc/05/83/32/674058332.db2.gz BRDBJYGPDVAECC-AXFHLTTASA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H]1CCN(CCC[NH3+])CCO1 719781605 674066332 /nfs/dbraw/zinc/06/63/32/674066332.db2.gz LFFLYWHJIVRKKH-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H]1CCN(CCC[NH3+])CCO1 719781604 674066550 /nfs/dbraw/zinc/06/65/50/674066550.db2.gz LFFLYWHJIVRKKH-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCCO 720348999 674067545 /nfs/dbraw/zinc/06/75/45/674067545.db2.gz BUDJTNYAIFTMFR-WDEREUQCSA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCCO 720348999 674067552 /nfs/dbraw/zinc/06/75/52/674067552.db2.gz BUDJTNYAIFTMFR-WDEREUQCSA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCCO 720348980 674067686 /nfs/dbraw/zinc/06/76/86/674067686.db2.gz BUDJTNYAIFTMFR-GHMZBOCLSA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCCO 720348980 674067692 /nfs/dbraw/zinc/06/76/92/674067692.db2.gz BUDJTNYAIFTMFR-GHMZBOCLSA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCCO 720348982 674067804 /nfs/dbraw/zinc/06/78/04/674067804.db2.gz BUDJTNYAIFTMFR-MNOVXSKESA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCCO 720348982 674067807 /nfs/dbraw/zinc/06/78/07/674067807.db2.gz BUDJTNYAIFTMFR-MNOVXSKESA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCCO 720348991 674067846 /nfs/dbraw/zinc/06/78/46/674067846.db2.gz BUDJTNYAIFTMFR-QWRGUYRKSA-N 1 3 198.310 0.537 10 0 ACAEHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCCO 720348991 674067848 /nfs/dbraw/zinc/06/78/48/674067848.db2.gz BUDJTNYAIFTMFR-QWRGUYRKSA-N 1 3 198.310 0.537 10 0 ACAEHO CC(C)(CO)C[NH2+]C1CCNCC1 168602173 1169291481 /nfs/dbraw/zinc/29/14/81/1169291481.db2.gz DNVIBNRTMVJNFE-UHFFFAOYSA-N 1 3 186.299 0.347 10 0 ACAEHO CC(C)(CO)CNC1CC[NH2+]CC1 168602173 1169291491 /nfs/dbraw/zinc/29/14/91/1169291491.db2.gz DNVIBNRTMVJNFE-UHFFFAOYSA-N 1 3 186.299 0.347 10 0 ACAEHO CO[C@H]1C[C@@H](CN2CCC[C@@H]2C[NH3+])C1 721914846 674078621 /nfs/dbraw/zinc/07/86/21/674078621.db2.gz PMAMTHAMPXTWHE-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO OCCCCCN[C@@H]1CCC[NH2+]C1 200685962 1169300466 /nfs/dbraw/zinc/30/04/66/1169300466.db2.gz HFXMORKLVKXBRI-SNVBAGLBSA-N 1 3 186.299 0.491 10 0 ACAEHO OCCCCCN[C@H]1CCC[NH2+]C1 200685928 1169301334 /nfs/dbraw/zinc/30/13/34/1169301334.db2.gz HFXMORKLVKXBRI-JTQLQIEISA-N 1 3 186.299 0.491 10 0 ACAEHO CC[N@@H+]1CC[C@@](C)(N)C1 204315646 1169311416 /nfs/dbraw/zinc/31/14/16/1169311416.db2.gz HPCXUANXVSBQHO-SSDOTTSWSA-N 1 3 128.219 0.429 10 0 ACAEHO CC[N@H+]1CC[C@@](C)(N)C1 204315646 1169311424 /nfs/dbraw/zinc/31/14/24/1169311424.db2.gz HPCXUANXVSBQHO-SSDOTTSWSA-N 1 3 128.219 0.429 10 0 ACAEHO CC[N@@H+]1CC[C@](C)(N)C1 204315663 1169313133 /nfs/dbraw/zinc/31/31/33/1169313133.db2.gz HPCXUANXVSBQHO-ZETCQYMHSA-N 1 3 128.219 0.429 10 0 ACAEHO CC[N@H+]1CC[C@](C)(N)C1 204315663 1169313142 /nfs/dbraw/zinc/31/31/42/1169313142.db2.gz HPCXUANXVSBQHO-ZETCQYMHSA-N 1 3 128.219 0.429 10 0 ACAEHO OCCCCC[NH2+]C1CCNCC1 204876409 1169315256 /nfs/dbraw/zinc/31/52/56/1169315256.db2.gz MNPOAALSPWVZCU-UHFFFAOYSA-N 1 3 186.299 0.491 10 0 ACAEHO C[C@@H](N)C[NH+]1CC2CC(C2)C1 211951661 1169331539 /nfs/dbraw/zinc/33/15/39/1169331539.db2.gz UOIJWQVOMDVVRY-AFPNSQJFSA-N 1 3 154.257 0.675 10 0 ACAEHO N[C@@H]1CCCC[N@H+](CCCO)C1 211992282 1169329745 /nfs/dbraw/zinc/32/97/45/1169329745.db2.gz SZIIWNGFCMVYLQ-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO N[C@@H]1CCCC[N@@H+](CCCO)C1 211992282 1169329751 /nfs/dbraw/zinc/32/97/51/1169329751.db2.gz SZIIWNGFCMVYLQ-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO CN(CCO)[C@H]1CCC[N@@H+](C)CC1 212076217 1169330520 /nfs/dbraw/zinc/33/05/20/1169330520.db2.gz AIRANUZIAHPRBX-JTQLQIEISA-N 1 3 186.299 0.395 10 0 ACAEHO NC[C@H]1CCCC[N@H+](CCCO)C1 212070280 1169330549 /nfs/dbraw/zinc/33/05/49/1169330549.db2.gz JLCVTIKVZPTKPA-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO CN(CCO)[C@H]1CCC[N@H+](C)CC1 212076217 1169330508 /nfs/dbraw/zinc/33/05/08/1169330508.db2.gz AIRANUZIAHPRBX-JTQLQIEISA-N 1 3 186.299 0.395 10 0 ACAEHO NC[C@H]1CCCC[N@@H+](CCCO)C1 212070280 1169330558 /nfs/dbraw/zinc/33/05/58/1169330558.db2.gz JLCVTIKVZPTKPA-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@@H]1CCCC[N@H+](CCCO)C1 212070206 1169330776 /nfs/dbraw/zinc/33/07/76/1169330776.db2.gz JLCVTIKVZPTKPA-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@@H]1CCCC[N@@H+](CCCO)C1 212070206 1169330784 /nfs/dbraw/zinc/33/07/84/1169330784.db2.gz JLCVTIKVZPTKPA-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO N[C@H]1CCCC[N@H+](CCCO)C1 211992344 1169331879 /nfs/dbraw/zinc/33/18/79/1169331879.db2.gz SZIIWNGFCMVYLQ-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO N[C@H]1CCCC[N@@H+](CCCO)C1 211992344 1169331885 /nfs/dbraw/zinc/33/18/85/1169331885.db2.gz SZIIWNGFCMVYLQ-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@H](N)C[NH+]1CC2CC(C2)C1 211951599 1169331949 /nfs/dbraw/zinc/33/19/49/1169331949.db2.gz UOIJWQVOMDVVRY-UEJVZZJDSA-N 1 3 154.257 0.675 10 0 ACAEHO CN(CCO)[C@@H]1CCC[N@H+](C)CC1 212076285 1169332528 /nfs/dbraw/zinc/33/25/28/1169332528.db2.gz AIRANUZIAHPRBX-SNVBAGLBSA-N 1 3 186.299 0.395 10 0 ACAEHO CN(CCO)[C@@H]1CCC[N@@H+](C)CC1 212076285 1169332530 /nfs/dbraw/zinc/33/25/30/1169332530.db2.gz AIRANUZIAHPRBX-SNVBAGLBSA-N 1 3 186.299 0.395 10 0 ACAEHO CN(CC1CC[NH2+]CC1)C1COC1 213145086 1169334202 /nfs/dbraw/zinc/33/42/02/1169334202.db2.gz QZOVJMRTYPVQLH-UHFFFAOYSA-N 1 3 184.283 0.317 10 0 ACAEHO COCCC[N@@H+]1CC[C@](C)(N)C1 218874018 1169343825 /nfs/dbraw/zinc/34/38/25/1169343825.db2.gz SPFASTDLIFWZRS-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO COCCC[N@H+]1CC[C@](C)(N)C1 218874018 1169343830 /nfs/dbraw/zinc/34/38/30/1169343830.db2.gz SPFASTDLIFWZRS-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO COCCC[N@@H+]1CC[C@@](C)(N)C1 218874094 1169344078 /nfs/dbraw/zinc/34/40/78/1169344078.db2.gz SPFASTDLIFWZRS-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COCCC[N@H+]1CC[C@@](C)(N)C1 218874094 1169344086 /nfs/dbraw/zinc/34/40/86/1169344086.db2.gz SPFASTDLIFWZRS-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO NCc1cncn1[C@H]1CCC[NH2+]C1 221295920 1169348955 /nfs/dbraw/zinc/34/89/55/1169348955.db2.gz USUHIIPSABYOKA-QMMMGPOBSA-N 1 3 180.255 0.266 10 0 ACAEHO NCc1cncn1[C@@H]1CCC[NH2+]C1 221295871 1169349009 /nfs/dbraw/zinc/34/90/09/1169349009.db2.gz USUHIIPSABYOKA-MRVPVSSYSA-N 1 3 180.255 0.266 10 0 ACAEHO NCc1cncn1C1CC[NH2+]CC1 221296150 1169352032 /nfs/dbraw/zinc/35/20/32/1169352032.db2.gz UXYWVKUGOIPQGM-UHFFFAOYSA-N 1 3 180.255 0.266 10 0 ACAEHO C[C@H](C[NH3+])CN(C)[C@@H]1CCCOC1 224836117 1169364735 /nfs/dbraw/zinc/36/47/35/1169364735.db2.gz JAYISOJGNTWTCA-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCCOC1 224836078 1169366131 /nfs/dbraw/zinc/36/61/31/1169366131.db2.gz JAYISOJGNTWTCA-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CN1CCC[C@H]1CN[C@@H]1CCC[NH2+]C1 226019238 1169375739 /nfs/dbraw/zinc/37/57/39/1169375739.db2.gz HYTDBELLMSZGGN-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 226019226 1169375824 /nfs/dbraw/zinc/37/58/24/1169375824.db2.gz HYTDBELLMSZGGN-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CCCN(CCO)CCC[NH+](C)C 227216767 1169379344 /nfs/dbraw/zinc/37/93/44/1169379344.db2.gz HCPMYXRMFBXMOF-UHFFFAOYSA-N 1 3 188.315 0.642 10 0 ACAEHO OCC[N@H+](C1CCC1)C1CCNCC1 228587396 1169381574 /nfs/dbraw/zinc/38/15/74/1169381574.db2.gz LCSFFQPEYZQUCX-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO OCC[N@@H+](C1CCC1)C1CCNCC1 228587396 1169381580 /nfs/dbraw/zinc/38/15/80/1169381580.db2.gz LCSFFQPEYZQUCX-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO OCCN(C1CCC1)C1CC[NH2+]CC1 228587396 1169381590 /nfs/dbraw/zinc/38/15/90/1169381590.db2.gz LCSFFQPEYZQUCX-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 231292485 1169402797 /nfs/dbraw/zinc/40/27/97/1169402797.db2.gz OZKITSSEBYXSCU-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO CN(CCCO)C[C@H]1CCC[NH2+]C1 234285392 1169414416 /nfs/dbraw/zinc/41/44/16/1169414416.db2.gz VEBMYTDJUHDMFZ-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H]1OCC[C@H]1C[NH2+]C1CCNCC1 235626766 1169418690 /nfs/dbraw/zinc/41/86/90/1169418690.db2.gz WSBFGSHFRFELHR-ZJUUUORDSA-N 1 3 198.310 0.753 10 0 ACAEHO CC(C)[C@@H](O)C[N@@H+]1CCCNCC1 238792583 1169422420 /nfs/dbraw/zinc/42/24/20/1169422420.db2.gz VYWJEZOAPMWOCN-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)[C@@H](O)C[N@H+]1CCCNCC1 238792583 1169422426 /nfs/dbraw/zinc/42/24/26/1169422426.db2.gz VYWJEZOAPMWOCN-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO OCCCCN1CCC[NH2+]CCC1 238659778 1169422461 /nfs/dbraw/zinc/42/24/61/1169422461.db2.gz WCSXGIGTKHVIKE-UHFFFAOYSA-N 1 3 186.299 0.444 10 0 ACAEHO CCN1CCN(C[C@H](C)[NH3+])C[C@H]1C 250225200 1169424718 /nfs/dbraw/zinc/42/47/18/1169424718.db2.gz FIUURXADFGEEPK-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCCC[C@H]1N 250006937 1169424824 /nfs/dbraw/zinc/42/48/24/1169424824.db2.gz TYCAHMMHCPMCIO-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCCC[C@H]1N 250006937 1169424831 /nfs/dbraw/zinc/42/48/31/1169424831.db2.gz TYCAHMMHCPMCIO-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN1CCN(C[C@@H](C)[NH3+])C[C@H]1C 250225198 1169425257 /nfs/dbraw/zinc/42/52/57/1169425257.db2.gz FIUURXADFGEEPK-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO [NH3+][C@@H]1CCCN(C[C@H]2CCCO2)CC1 251537987 1169428825 /nfs/dbraw/zinc/42/88/25/1169428825.db2.gz YBNXQYZOTSMZCO-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@H]1CCCN(C[C@H]2CCCO2)CC1 251537996 1169429301 /nfs/dbraw/zinc/42/93/01/1169429301.db2.gz YBNXQYZOTSMZCO-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H]1C[C@H](N2CC[C@H]([NH3+])C2)C[C@@H](C)O1 252099072 1169432216 /nfs/dbraw/zinc/43/22/16/1169432216.db2.gz IDYDJFMUFXPELR-VLEAKVRGSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@H]1CCN(CCCO)C[C@H]1C[NH3+] 253186301 1169435426 /nfs/dbraw/zinc/43/54/26/1169435426.db2.gz IQVPVUKXOVAROV-VHSXEESVSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H]1CCN(CCCO)C[C@H]1C[NH3+] 253186300 1169436157 /nfs/dbraw/zinc/43/61/57/1169436157.db2.gz IQVPVUKXOVAROV-NXEZZACHSA-N 1 3 186.299 0.286 10 0 ACAEHO O[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 253123520 1169437580 /nfs/dbraw/zinc/43/75/80/1169437580.db2.gz JYVSJDYQCGSBGN-HOMQSWHASA-N 1 3 198.310 0.632 10 0 ACAEHO CN1CC[C@H](NC[C@H]2CCC[NH2+]2)C1 258813382 1169438773 /nfs/dbraw/zinc/43/87/73/1169438773.db2.gz DUVOFTFQPMEZJX-ZJUUUORDSA-N 1 3 183.299 0.032 10 0 ACAEHO CN1CCC[C@H](NC[C@H]2CCC[NH2+]2)C1 259012846 1169439613 /nfs/dbraw/zinc/43/96/13/1169439613.db2.gz XWGKSJMQHPZLEG-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@H]([NH2+][C@H]2CCCC[C@H]2N)C1 258892670 1169439916 /nfs/dbraw/zinc/43/99/16/1169439916.db2.gz HDYFKFQUYJLSPO-AXFHLTTASA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@@H](NC[C@H]2CCC[NH2+]2)C1 259012843 1169440126 /nfs/dbraw/zinc/44/01/26/1169440126.db2.gz XWGKSJMQHPZLEG-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 258813378 1169440687 /nfs/dbraw/zinc/44/06/87/1169440687.db2.gz DUVOFTFQPMEZJX-NXEZZACHSA-N 1 3 183.299 0.032 10 0 ACAEHO CC(C)(O)CC[NH2+]C1CCNCC1 259751079 1169442343 /nfs/dbraw/zinc/44/23/43/1169442343.db2.gz OGXZQMONZRIYTA-UHFFFAOYSA-N 1 3 186.299 0.489 10 0 ACAEHO CC(C)(O)CCNC1CC[NH2+]CC1 259751079 1169442347 /nfs/dbraw/zinc/44/23/47/1169442347.db2.gz OGXZQMONZRIYTA-UHFFFAOYSA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@@H]1C[C@H](N2C[C@@H]([NH3+])[C@H](C)C2)CCO1 300048034 1169458447 /nfs/dbraw/zinc/45/84/47/1169458447.db2.gz GYMADGFUWXVHKS-GWOFURMSSA-N 1 3 198.310 0.833 10 0 ACAEHO CO[C@@H]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C1 300042254 1169459035 /nfs/dbraw/zinc/45/90/35/1169459035.db2.gz OHKYUPCYTRLPPL-GARJFASQSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 300042254 1169459039 /nfs/dbraw/zinc/45/90/39/1169459039.db2.gz OHKYUPCYTRLPPL-GARJFASQSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 300042254 1169459045 /nfs/dbraw/zinc/45/90/45/1169459045.db2.gz OHKYUPCYTRLPPL-GARJFASQSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 300042255 1169459528 /nfs/dbraw/zinc/45/95/28/1169459528.db2.gz OHKYUPCYTRLPPL-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 300042255 1169459532 /nfs/dbraw/zinc/45/95/32/1169459532.db2.gz OHKYUPCYTRLPPL-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 300042255 1169459538 /nfs/dbraw/zinc/45/95/38/1169459538.db2.gz OHKYUPCYTRLPPL-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C1 300042256 1169459722 /nfs/dbraw/zinc/45/97/22/1169459722.db2.gz OHKYUPCYTRLPPL-HBNTYKKESA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 300042256 1169459725 /nfs/dbraw/zinc/45/97/25/1169459725.db2.gz OHKYUPCYTRLPPL-HBNTYKKESA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 300042256 1169459729 /nfs/dbraw/zinc/45/97/29/1169459729.db2.gz OHKYUPCYTRLPPL-HBNTYKKESA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 300042257 1169459850 /nfs/dbraw/zinc/45/98/50/1169459850.db2.gz OHKYUPCYTRLPPL-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 300042257 1169459852 /nfs/dbraw/zinc/45/98/52/1169459852.db2.gz OHKYUPCYTRLPPL-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 300042257 1169459855 /nfs/dbraw/zinc/45/98/55/1169459855.db2.gz OHKYUPCYTRLPPL-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO CN1CCC[C@@H]1CN[C@H]1CCC[NH2+]C1 300367021 1169461774 /nfs/dbraw/zinc/46/17/74/1169461774.db2.gz HYTDBELLMSZGGN-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO C[N@@H+]1CCC[C@H](n2cnc(CN)c2)C1 300749327 1169461903 /nfs/dbraw/zinc/46/19/03/1169461903.db2.gz QPFPRNIYSLJNHN-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO C[N@H+]1CCC[C@H](n2cnc(CN)c2)C1 300749327 1169461908 /nfs/dbraw/zinc/46/19/08/1169461908.db2.gz QPFPRNIYSLJNHN-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO CN1CCC[C@H]1CN[C@H]1CCC[NH2+]C1 300366817 1169462254 /nfs/dbraw/zinc/46/22/54/1169462254.db2.gz HYTDBELLMSZGGN-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO C[N@@H+]1CCC[C@@H](n2cnc(CN)c2)C1 300749328 1169462378 /nfs/dbraw/zinc/46/23/78/1169462378.db2.gz QPFPRNIYSLJNHN-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO C[N@H+]1CCC[C@@H](n2cnc(CN)c2)C1 300749328 1169462383 /nfs/dbraw/zinc/46/23/83/1169462383.db2.gz QPFPRNIYSLJNHN-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO C[C@@H]1COCC[C@H]1N[C@@H]1CCC[NH2+]C1 300973306 1169463279 /nfs/dbraw/zinc/46/32/79/1169463279.db2.gz 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ACAEHO C[C@@H]1COCC[C@H]1[NH2+]C1CCNCC1 301049675 1169464112 /nfs/dbraw/zinc/46/41/12/1169464112.db2.gz ZPQQRRVRQAESDO-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1CCCOC1 306357040 1169473618 /nfs/dbraw/zinc/47/36/18/1169473618.db2.gz UQEZGXVASQZQLH-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1C[C@H]1CCCOC1 306357038 1169474248 /nfs/dbraw/zinc/47/42/48/1169474248.db2.gz UQEZGXVASQZQLH-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO O[C@@H]1CCN(C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 306376672 1169475280 /nfs/dbraw/zinc/47/52/80/1169475280.db2.gz RLKVPZKFDSEGHO-KJLIAQIISA-N 1 3 196.294 0.336 10 0 ACAEHO C[C@H]1CC[C@H]([NH2+]CC2CN(C)C2)CN1 306688087 1169486525 /nfs/dbraw/zinc/48/65/25/1169486525.db2.gz MIGHRBZNMXRWPU-ONGXEEELSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H]1CC[C@H](NCC2CN(C)C2)C[NH2+]1 306688087 1169486529 /nfs/dbraw/zinc/48/65/29/1169486529.db2.gz MIGHRBZNMXRWPU-ONGXEEELSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[C@@H](O)C[N@@H+]1C1CCNCC1 306686556 1169486576 /nfs/dbraw/zinc/48/65/76/1169486576.db2.gz KJPKPAREQFZBPZ-MWLCHTKSSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1CC[C@@H](O)C[N@H+]1C1CCNCC1 306686556 1169486578 /nfs/dbraw/zinc/48/65/78/1169486578.db2.gz KJPKPAREQFZBPZ-MWLCHTKSSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1CC[C@@H](O)CN1C1CC[NH2+]CC1 306686556 1169486582 /nfs/dbraw/zinc/48/65/82/1169486582.db2.gz KJPKPAREQFZBPZ-MWLCHTKSSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1CC[C@H](N[C@@H]2CCN(C)C2)C[NH2+]1 306897768 1169490900 /nfs/dbraw/zinc/49/09/00/1169490900.db2.gz UYFXWYSXONQGPO-OUAUKWLOSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@H]1CC[C@@H]([NH2+]CC2CN(C)C2)CN1 306688084 1169487178 /nfs/dbraw/zinc/48/71/78/1169487178.db2.gz MIGHRBZNMXRWPU-GXSJLCMTSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H]1CC[C@@H](NCC2CN(C)C2)C[NH2+]1 306688084 1169487181 /nfs/dbraw/zinc/48/71/81/1169487181.db2.gz MIGHRBZNMXRWPU-GXSJLCMTSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[C@H]([NH2+]CC2CN(C)C2)CN1 306688085 1169487237 /nfs/dbraw/zinc/48/72/37/1169487237.db2.gz MIGHRBZNMXRWPU-KOLCDFICSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[C@H](NCC2CN(C)C2)C[NH2+]1 306688085 1169487240 /nfs/dbraw/zinc/48/72/40/1169487240.db2.gz MIGHRBZNMXRWPU-KOLCDFICSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[C@@H]([NH2+]CC2CN(C)C2)CN1 306688086 1169487318 /nfs/dbraw/zinc/48/73/18/1169487318.db2.gz MIGHRBZNMXRWPU-MWLCHTKSSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[C@@H](NCC2CN(C)C2)C[NH2+]1 306688086 1169487323 /nfs/dbraw/zinc/48/73/23/1169487323.db2.gz MIGHRBZNMXRWPU-MWLCHTKSSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[C@H](O)C[N@@H+]1C1CCNCC1 306686555 1169487612 /nfs/dbraw/zinc/48/76/12/1169487612.db2.gz KJPKPAREQFZBPZ-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1CC[C@H](O)C[N@H+]1C1CCNCC1 306686555 1169487614 /nfs/dbraw/zinc/48/76/14/1169487614.db2.gz KJPKPAREQFZBPZ-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1CC[C@H](O)CN1C1CC[NH2+]CC1 306686555 1169487618 /nfs/dbraw/zinc/48/76/18/1169487618.db2.gz KJPKPAREQFZBPZ-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1CC[C@H](N2CC(N(C)C)C2)C[NH2+]1 306872765 1169490657 /nfs/dbraw/zinc/49/06/57/1169490657.db2.gz WAVZEHQGWYWESV-UWVGGRQHSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1CC[C@@H](N[C@@H]2CCN(C)C2)C[NH2+]1 306897766 1169490836 /nfs/dbraw/zinc/49/08/36/1169490836.db2.gz UYFXWYSXONQGPO-GMTAPVOTSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H]1CC[C@@H](N2CC(N(C)C)C2)C[NH2+]1 306872764 1169491087 /nfs/dbraw/zinc/49/10/87/1169491087.db2.gz WAVZEHQGWYWESV-NXEZZACHSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1CC[C@H](N[C@H]2CCN(C)C2)C[NH2+]1 306897769 1169491248 /nfs/dbraw/zinc/49/12/48/1169491248.db2.gz UYFXWYSXONQGPO-VWYCJHECSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@H]1CC[C@@H](N2CC(N(C)C)C2)C[NH2+]1 306872766 1169491277 /nfs/dbraw/zinc/49/12/77/1169491277.db2.gz WAVZEHQGWYWESV-VHSXEESVSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1CC[C@@H](N[C@H]2CCN(C)C2)C[NH2+]1 306897767 1169491805 /nfs/dbraw/zinc/49/18/05/1169491805.db2.gz UYFXWYSXONQGPO-MXWKQRLJSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H]1CC[C@H](N2CC(N(C)C)C2)C[NH2+]1 306872767 1169491971 /nfs/dbraw/zinc/49/19/71/1169491971.db2.gz WAVZEHQGWYWESV-ZJUUUORDSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@]1(C[NH2+]C2CCNCC2)CCOC1 306965137 1169495423 /nfs/dbraw/zinc/49/54/23/1169495423.db2.gz JZQAMFSWOOKHTA-NSHDSACASA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@]1(C[NH2+]C2CCNCC2)CCOC1 306965136 1169496350 /nfs/dbraw/zinc/49/63/50/1169496350.db2.gz JZQAMFSWOOKHTA-LLVKDONJSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@H]1CC[C@@H](NC[C@H]2CCOC2)C[NH2+]1 307077084 1169502258 /nfs/dbraw/zinc/50/22/58/1169502258.db2.gz DDTIVVQOVSCPJX-GMTAPVOTSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CC[C@H](NC[C@@H]2CCOC2)C[NH2+]1 307077089 1169502233 /nfs/dbraw/zinc/50/22/33/1169502233.db2.gz DDTIVVQOVSCPJX-VWYCJHECSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CC[C@H](NC[C@H]2CCOC2)C[NH2+]1 307077086 1169502393 /nfs/dbraw/zinc/50/23/93/1169502393.db2.gz DDTIVVQOVSCPJX-MXWKQRLJSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CC[C@@H](NC[C@@H]2CCOC2)C[NH2+]1 307077088 1169503187 /nfs/dbraw/zinc/50/31/87/1169503187.db2.gz DDTIVVQOVSCPJX-OUAUKWLOSA-N 1 3 198.310 0.753 10 0 ACAEHO OCCCN1CC[C@]2(CC[NH2+]C2)C1 307159951 1169505124 /nfs/dbraw/zinc/50/51/24/1169505124.db2.gz CUJUIOPGNQJXAZ-JTQLQIEISA-N 1 3 184.283 0.054 10 0 ACAEHO OCCCN1CC[C@@]2(CC[NH2+]C2)C1 307159953 1169505236 /nfs/dbraw/zinc/50/52/36/1169505236.db2.gz CUJUIOPGNQJXAZ-SNVBAGLBSA-N 1 3 184.283 0.054 10 0 ACAEHO CN(C)C1CN(c2cc[nH+]cc2)C1 307222059 1169512200 /nfs/dbraw/zinc/51/22/00/1169512200.db2.gz QNFZLGMSHYVMEI-UHFFFAOYSA-N 1 3 177.251 0.832 10 0 ACAEHO C[N@@H+]1CC[C@@H](Oc2ccnc(N)c2)C1 307292992 1169513595 /nfs/dbraw/zinc/51/35/95/1169513595.db2.gz DIOTVKIMUMFDIT-SECBINFHSA-N 1 3 193.250 0.747 10 0 ACAEHO C[N@H+]1CC[C@@H](Oc2ccnc(N)c2)C1 307292992 1169513611 /nfs/dbraw/zinc/51/36/11/1169513611.db2.gz DIOTVKIMUMFDIT-SECBINFHSA-N 1 3 193.250 0.747 10 0 ACAEHO C[N@@H+]1CC[C@H](Oc2ccnc(N)c2)C1 307292993 1169513859 /nfs/dbraw/zinc/51/38/59/1169513859.db2.gz DIOTVKIMUMFDIT-VIFPVBQESA-N 1 3 193.250 0.747 10 0 ACAEHO C[N@H+]1CC[C@H](Oc2ccnc(N)c2)C1 307292993 1169513865 /nfs/dbraw/zinc/51/38/65/1169513865.db2.gz DIOTVKIMUMFDIT-VIFPVBQESA-N 1 3 193.250 0.747 10 0 ACAEHO C[C@]1(CO)CC[N@@H+](C2CCNCC2)C1 307383073 1169515926 /nfs/dbraw/zinc/51/59/26/1169515926.db2.gz CXIJOPVXXVYPFB-NSHDSACASA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1(CO)CC[N@H+](C2CCNCC2)C1 307383073 1169515930 /nfs/dbraw/zinc/51/59/30/1169515930.db2.gz CXIJOPVXXVYPFB-NSHDSACASA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1(CO)CCN(C2CC[NH2+]CC2)C1 307383073 1169515934 /nfs/dbraw/zinc/51/59/34/1169515934.db2.gz CXIJOPVXXVYPFB-NSHDSACASA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1(CN[C@H]2CCC[NH2+]C2)CCOC1 307371356 1169516786 /nfs/dbraw/zinc/51/67/86/1169516786.db2.gz PVRCKNHSRWNVJO-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@]1(CO)CC[N@@H+](C2CCNCC2)C1 307383072 1169517118 /nfs/dbraw/zinc/51/71/18/1169517118.db2.gz CXIJOPVXXVYPFB-LLVKDONJSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@]1(CO)CC[N@H+](C2CCNCC2)C1 307383072 1169517126 /nfs/dbraw/zinc/51/71/26/1169517126.db2.gz CXIJOPVXXVYPFB-LLVKDONJSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@]1(CO)CCN(C2CC[NH2+]CC2)C1 307383072 1169517132 /nfs/dbraw/zinc/51/71/32/1169517132.db2.gz CXIJOPVXXVYPFB-LLVKDONJSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1(CN[C@@H]2CCC[NH2+]C2)CCOC1 307371352 1169517153 /nfs/dbraw/zinc/51/71/53/1169517153.db2.gz PVRCKNHSRWNVJO-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@]1(CN[C@@H]2CCC[NH2+]C2)CCOC1 307371353 1169517996 /nfs/dbraw/zinc/51/79/96/1169517996.db2.gz PVRCKNHSRWNVJO-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@]1(CN[C@H]2CCC[NH2+]C2)CCOC1 307371355 1169518019 /nfs/dbraw/zinc/51/80/19/1169518019.db2.gz PVRCKNHSRWNVJO-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO CC1([NH3+])CCN([C@@H]2CCCOC2)CC1 307399635 1169519213 /nfs/dbraw/zinc/51/92/13/1169519213.db2.gz XPYWIAYVCXIKLQ-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CC1([NH3+])CCN([C@H]2CCCOC2)CC1 307399634 1169519397 /nfs/dbraw/zinc/51/93/97/1169519397.db2.gz XPYWIAYVCXIKLQ-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1CNCC[N@H+](CCCCO)C1 323541096 1169558062 /nfs/dbraw/zinc/55/80/62/1169558062.db2.gz ONPIMAJDRSXZCU-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@@H]1CNCC[N@@H+](CCCCO)C1 323541096 1169558073 /nfs/dbraw/zinc/55/80/73/1169558073.db2.gz ONPIMAJDRSXZCU-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H]1CNCC[N@H+](CCCCO)C1 323541095 1169558475 /nfs/dbraw/zinc/55/84/75/1169558475.db2.gz ONPIMAJDRSXZCU-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H]1CNCC[N@@H+](CCCCO)C1 323541095 1169558481 /nfs/dbraw/zinc/55/84/81/1169558481.db2.gz ONPIMAJDRSXZCU-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO OCCCCN1CC[C@@]2(CC[NH2+]C2)C1 379493851 1169586736 /nfs/dbraw/zinc/58/67/36/1169586736.db2.gz VJTOSZFWTSSNPW-LLVKDONJSA-N 1 3 198.310 0.444 10 0 ACAEHO OCCCCN1CC[C@]2(CC[NH2+]C2)C1 379493852 1169587405 /nfs/dbraw/zinc/58/74/05/1169587405.db2.gz VJTOSZFWTSSNPW-NSHDSACASA-N 1 3 198.310 0.444 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1CCCCO 381594676 1169598023 /nfs/dbraw/zinc/59/80/23/1169598023.db2.gz MCDVQIOGDNTBDC-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1CCCCO 381594676 1169598039 /nfs/dbraw/zinc/59/80/39/1169598039.db2.gz MCDVQIOGDNTBDC-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1CNCCC[N@@H+]1CCCCO 382755821 1169604787 /nfs/dbraw/zinc/60/47/87/1169604787.db2.gz NZKPFLRONNAJHB-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@H]1CNCCC[N@H+]1CCCCO 382755821 1169604791 /nfs/dbraw/zinc/60/47/91/1169604791.db2.gz NZKPFLRONNAJHB-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CCOC1CN(CC2CC[NH2+]CC2)C1 382764936 1169604864 /nfs/dbraw/zinc/60/48/64/1169604864.db2.gz RGUFMCMTCRDAGH-UHFFFAOYSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CC[N@H+](CCCCO)CCN1 382752747 1169605006 /nfs/dbraw/zinc/60/50/06/1169605006.db2.gz ISBGKRRLUZLMOO-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@@H]1CC[N@@H+](CCCCO)CCN1 382752747 1169605010 /nfs/dbraw/zinc/60/50/10/1169605010.db2.gz ISBGKRRLUZLMOO-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CN(CCCCO)C[C@@H]1CC[NH2+]C1 382758412 1169605420 /nfs/dbraw/zinc/60/54/20/1169605420.db2.gz SYWKTYQASPKZOX-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO CN(CCCCO)C[C@H]1CC[NH2+]C1 382758411 1169605715 /nfs/dbraw/zinc/60/57/15/1169605715.db2.gz SYWKTYQASPKZOX-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H]1CC[N@H+](CCCCO)CCN1 382752746 1169606047 /nfs/dbraw/zinc/60/60/47/1169606047.db2.gz ISBGKRRLUZLMOO-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@H]1CC[N@@H+](CCCCO)CCN1 382752746 1169606049 /nfs/dbraw/zinc/60/60/49/1169606049.db2.gz ISBGKRRLUZLMOO-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCCOCC1 388289124 1169621649 /nfs/dbraw/zinc/62/16/49/1169621649.db2.gz UBSFQJNMMZSKKY-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@@H]1CCCOCC1 388289122 1169621720 /nfs/dbraw/zinc/62/17/20/1169621720.db2.gz UBSFQJNMMZSKKY-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@H]1CCCOCC1 388289117 1169622051 /nfs/dbraw/zinc/62/20/51/1169622051.db2.gz UBSFQJNMMZSKKY-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCCOCC1 388289116 1169622445 /nfs/dbraw/zinc/62/24/45/1169622445.db2.gz UBSFQJNMMZSKKY-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO CCN1CC[C@H](NC[C@H]2CCC[NH2+]2)C1 389579928 1169639333 /nfs/dbraw/zinc/63/93/33/1169639333.db2.gz XVAGVEPYHBJKRU-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CCN1CC[C@@H](NC[C@H]2CCC[NH2+]2)C1 389579923 1169639909 /nfs/dbraw/zinc/63/99/09/1169639909.db2.gz XVAGVEPYHBJKRU-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CCC1(C[NH2+]C2CCNCC2)COC1 393956437 1169645552 /nfs/dbraw/zinc/64/55/52/1169645552.db2.gz FWLSJGINMCXJNA-UHFFFAOYSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@@H+]1CCCCO 394609756 1169649252 /nfs/dbraw/zinc/64/92/52/1169649252.db2.gz MCDVQIOGDNTBDC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@H+]1CCCCO 394609756 1169649256 /nfs/dbraw/zinc/64/92/56/1169649256.db2.gz MCDVQIOGDNTBDC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@@H+]1CCCCO 394609732 1169650285 /nfs/dbraw/zinc/65/02/85/1169650285.db2.gz MCDVQIOGDNTBDC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@H+]1CCCCO 394609732 1169650291 /nfs/dbraw/zinc/65/02/91/1169650291.db2.gz MCDVQIOGDNTBDC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@@H+]1CCCCO 394609749 1169650995 /nfs/dbraw/zinc/65/09/95/1169650995.db2.gz MCDVQIOGDNTBDC-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@H+]1CCCCO 394609749 1169650996 /nfs/dbraw/zinc/65/09/96/1169650996.db2.gz MCDVQIOGDNTBDC-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO COC[C@H](NC1CC[NH2+]CC1)C1CC1 397247483 1169659793 /nfs/dbraw/zinc/65/97/93/1169659793.db2.gz NYVUQDYMLVSBID-NSHDSACASA-N 1 3 198.310 0.753 10 0 ACAEHO COC[C@H]([NH2+]C1CCNCC1)C1CC1 397247483 1169659788 /nfs/dbraw/zinc/65/97/88/1169659788.db2.gz NYVUQDYMLVSBID-NSHDSACASA-N 1 3 198.310 0.753 10 0 ACAEHO COC[C@@H]([NH2+]C1CCNCC1)C1CC1 397247482 1169660499 /nfs/dbraw/zinc/66/04/99/1169660499.db2.gz NYVUQDYMLVSBID-LLVKDONJSA-N 1 3 198.310 0.753 10 0 ACAEHO COC[C@@H](NC1CC[NH2+]CC1)C1CC1 397247482 1169660507 /nfs/dbraw/zinc/66/05/07/1169660507.db2.gz NYVUQDYMLVSBID-LLVKDONJSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397807716 1169664315 /nfs/dbraw/zinc/66/43/15/1169664315.db2.gz HPEFCAVDMMLWGS-QEYWKRMJSA-N 1 3 168.284 0.969 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 397807713 1169664335 /nfs/dbraw/zinc/66/43/35/1169664335.db2.gz HPEFCAVDMMLWGS-DOLQZWNJSA-N 1 3 168.284 0.969 10 0 ACAEHO C[C@@H]1CC[C@H](NCCN(C)C)C[NH2+]1 399075606 1169672118 /nfs/dbraw/zinc/67/21/18/1169672118.db2.gz NSRUHDRXFXEDET-ZJUUUORDSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H]1CC[C@H](NCCN(C)C)C[NH2+]1 399075604 1169672179 /nfs/dbraw/zinc/67/21/79/1169672179.db2.gz NSRUHDRXFXEDET-UWVGGRQHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@@H]1CC[C@@H](NCCN(C)C)C[NH2+]1 399075603 1169672258 /nfs/dbraw/zinc/67/22/58/1169672258.db2.gz NSRUHDRXFXEDET-NXEZZACHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H]1CC[C@@H](NCCN(C)C)C[NH2+]1 399075605 1169672958 /nfs/dbraw/zinc/67/29/58/1169672958.db2.gz NSRUHDRXFXEDET-VHSXEESVSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@]1([NH3+])CCN([C@@H]2CCCOCC2)C1 405776358 1169685045 /nfs/dbraw/zinc/68/50/45/1169685045.db2.gz FWQGIRYJWURLIV-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CC(C)[C@H](O)C[N@@H+]1CC[C@@](C)(N)C1 405839948 1169685122 /nfs/dbraw/zinc/68/51/22/1169685122.db2.gz IIOAKFHRLGLJHO-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@H](O)C[N@H+]1CC[C@@](C)(N)C1 405839948 1169685125 /nfs/dbraw/zinc/68/51/25/1169685125.db2.gz IIOAKFHRLGLJHO-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1CC[C@@](C)(N)C1 405782205 1169685138 /nfs/dbraw/zinc/68/51/38/1169685138.db2.gz CXEKVKQZUNRXCP-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](O)C[N@H+]1CC[C@@](C)(N)C1 405782205 1169685141 /nfs/dbraw/zinc/68/51/41/1169685141.db2.gz CXEKVKQZUNRXCP-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@@](C)([NH3+])C2)CCO1 405781852 1169685260 /nfs/dbraw/zinc/68/52/60/1169685260.db2.gz HSSICVMFKYCYRS-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO CC(C)[C@@H](O)C[N@@H+]1CC[C@](C)(N)C1 405839949 1169685602 /nfs/dbraw/zinc/68/56/02/1169685602.db2.gz IIOAKFHRLGLJHO-UWVGGRQHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](O)C[N@H+]1CC[C@](C)(N)C1 405839949 1169685607 /nfs/dbraw/zinc/68/56/07/1169685607.db2.gz IIOAKFHRLGLJHO-UWVGGRQHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](O)C[N@@H+]1CC[C@@](C)(N)C1 405839950 1169685882 /nfs/dbraw/zinc/68/58/82/1169685882.db2.gz IIOAKFHRLGLJHO-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](O)C[N@H+]1CC[C@@](C)(N)C1 405839950 1169685885 /nfs/dbraw/zinc/68/58/85/1169685885.db2.gz IIOAKFHRLGLJHO-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1CC[C@](C)(N)C1 405782202 1169685919 /nfs/dbraw/zinc/68/59/19/1169685919.db2.gz CXEKVKQZUNRXCP-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](O)C[N@H+]1CC[C@](C)(N)C1 405782202 1169685922 /nfs/dbraw/zinc/68/59/22/1169685922.db2.gz CXEKVKQZUNRXCP-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@](C)([NH3+])C2)CCO1 405781862 1169685930 /nfs/dbraw/zinc/68/59/30/1169685930.db2.gz HSSICVMFKYCYRS-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@]1([NH3+])CCN([C@H]2CCCOCC2)C1 405776363 1169686069 /nfs/dbraw/zinc/68/60/69/1169686069.db2.gz FWQGIRYJWURLIV-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@]1([NH3+])CCN([C@@H]2CCCOCC2)C1 405776357 1169686504 /nfs/dbraw/zinc/68/65/04/1169686504.db2.gz FWQGIRYJWURLIV-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@@](C)([NH3+])C2)CCO1 405781858 1169686835 /nfs/dbraw/zinc/68/68/35/1169686835.db2.gz HSSICVMFKYCYRS-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@]1([NH3+])CCN([C@H]2CCCOCC2)C1 405776361 1169687072 /nfs/dbraw/zinc/68/70/72/1169687072.db2.gz FWQGIRYJWURLIV-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@](C)([NH3+])C2)CCO1 405781855 1169687109 /nfs/dbraw/zinc/68/71/09/1169687109.db2.gz HSSICVMFKYCYRS-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO CC(C)[C@H](O)C[N@@H+]1CC[C@](C)(N)C1 405839951 1169687251 /nfs/dbraw/zinc/68/72/51/1169687251.db2.gz IIOAKFHRLGLJHO-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@H](O)C[N@H+]1CC[C@](C)(N)C1 405839951 1169687254 /nfs/dbraw/zinc/68/72/54/1169687254.db2.gz IIOAKFHRLGLJHO-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@@H+]1CCCO 642859580 1169696030 /nfs/dbraw/zinc/69/60/30/1169696030.db2.gz CRXHEERLAPWABW-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@H+]1CCCO 642859580 1169696035 /nfs/dbraw/zinc/69/60/35/1169696035.db2.gz CRXHEERLAPWABW-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1CCCO 642859582 1169696358 /nfs/dbraw/zinc/69/63/58/1169696358.db2.gz CRXHEERLAPWABW-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1CCCO 642859582 1169696360 /nfs/dbraw/zinc/69/63/60/1169696360.db2.gz CRXHEERLAPWABW-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@@H+]1CCCO 642859581 1169696945 /nfs/dbraw/zinc/69/69/45/1169696945.db2.gz CRXHEERLAPWABW-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@H+]1CCCO 642859581 1169696948 /nfs/dbraw/zinc/69/69/48/1169696948.db2.gz CRXHEERLAPWABW-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1CCCO 642859579 1169696968 /nfs/dbraw/zinc/69/69/68/1169696968.db2.gz CRXHEERLAPWABW-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1CCCO 642859579 1169696972 /nfs/dbraw/zinc/69/69/72/1169696972.db2.gz CRXHEERLAPWABW-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC1([NH3+])CCN(CCCO)CC1 642864406 1169697341 /nfs/dbraw/zinc/69/73/41/1169697341.db2.gz FWYCGKDHUUZIMR-UHFFFAOYSA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@H]1C[C@@H](O)CCN1C1CC[NH2+]CC1 706114190 1169710624 /nfs/dbraw/zinc/71/06/24/1169710624.db2.gz IUKLVYUCEVNJQW-ONGXEEELSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@@H](O)CC[N@@H+]1C1CCNCC1 706114190 1169710628 /nfs/dbraw/zinc/71/06/28/1169710628.db2.gz IUKLVYUCEVNJQW-ONGXEEELSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@@H](O)CC[N@H+]1C1CCNCC1 706114190 1169710633 /nfs/dbraw/zinc/71/06/33/1169710633.db2.gz IUKLVYUCEVNJQW-ONGXEEELSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@@H](O)CCN1C1CC[NH2+]CC1 706114184 1169711025 /nfs/dbraw/zinc/71/10/25/1169711025.db2.gz IUKLVYUCEVNJQW-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@@H](O)CC[N@@H+]1C1CCNCC1 706114184 1169711032 /nfs/dbraw/zinc/71/10/32/1169711032.db2.gz IUKLVYUCEVNJQW-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@@H](O)CC[N@H+]1C1CCNCC1 706114184 1169711038 /nfs/dbraw/zinc/71/10/38/1169711038.db2.gz IUKLVYUCEVNJQW-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO CC[C@@H](O)CN1C[C@H]2C[N@H+](C)C[C@H]2C1 705642164 1169711704 /nfs/dbraw/zinc/71/17/04/1169711704.db2.gz FNXNKROWWIRUBF-OUAUKWLOSA-N 1 3 198.310 0.251 10 0 ACAEHO CC[C@@H](O)CN1C[C@H]2C[N@@H+](C)C[C@H]2C1 705642164 1169711711 /nfs/dbraw/zinc/71/17/11/1169711711.db2.gz FNXNKROWWIRUBF-OUAUKWLOSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H]1C[C@H](O)CCN1C1CC[NH2+]CC1 706114182 1169711852 /nfs/dbraw/zinc/71/18/52/1169711852.db2.gz IUKLVYUCEVNJQW-GXSJLCMTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@H](O)CC[N@@H+]1C1CCNCC1 706114182 1169711857 /nfs/dbraw/zinc/71/18/57/1169711857.db2.gz IUKLVYUCEVNJQW-GXSJLCMTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@H](O)CC[N@H+]1C1CCNCC1 706114182 1169711864 /nfs/dbraw/zinc/71/18/64/1169711864.db2.gz IUKLVYUCEVNJQW-GXSJLCMTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@H](O)CCN1C1CC[NH2+]CC1 706114187 1169712684 /nfs/dbraw/zinc/71/26/84/1169712684.db2.gz IUKLVYUCEVNJQW-MWLCHTKSSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@H](O)CC[N@@H+]1C1CCNCC1 706114187 1169712691 /nfs/dbraw/zinc/71/26/91/1169712691.db2.gz IUKLVYUCEVNJQW-MWLCHTKSSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@H](O)CC[N@H+]1C1CCNCC1 706114187 1169712696 /nfs/dbraw/zinc/71/26/96/1169712696.db2.gz IUKLVYUCEVNJQW-MWLCHTKSSA-N 1 3 198.310 0.584 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+]C2CCNCC2)C1 706518823 1169715156 /nfs/dbraw/zinc/71/51/56/1169715156.db2.gz WCITWYDLGBAQGG-MGCOHNPYSA-N 1 3 184.283 0.505 10 0 ACAEHO CO[C@H]1C[C@H](NC2CC[NH2+]CC2)C1 706518823 1169715164 /nfs/dbraw/zinc/71/51/64/1169715164.db2.gz WCITWYDLGBAQGG-MGCOHNPYSA-N 1 3 184.283 0.505 10 0 ACAEHO [NH3+]CCCCN1CC(C(F)F)C1 706421859 1169715119 /nfs/dbraw/zinc/71/51/19/1169715119.db2.gz AEOQZKQISOMCTF-UHFFFAOYSA-N 1 3 178.226 0.922 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 706517728 1169715407 /nfs/dbraw/zinc/71/54/07/1169715407.db2.gz PIARZSWPCNAYQP-GWOFURMSSA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 706517728 1169715412 /nfs/dbraw/zinc/71/54/12/1169715412.db2.gz PIARZSWPCNAYQP-GWOFURMSSA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 706517739 1169716060 /nfs/dbraw/zinc/71/60/60/1169716060.db2.gz PIARZSWPCNAYQP-VLEAKVRGSA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 706517739 1169716066 /nfs/dbraw/zinc/71/60/66/1169716066.db2.gz PIARZSWPCNAYQP-VLEAKVRGSA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 706517735 1169716277 /nfs/dbraw/zinc/71/62/77/1169716277.db2.gz PIARZSWPCNAYQP-NAKRPEOUSA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 706517735 1169716285 /nfs/dbraw/zinc/71/62/85/1169716285.db2.gz PIARZSWPCNAYQP-NAKRPEOUSA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 706517733 1169716391 /nfs/dbraw/zinc/71/63/91/1169716391.db2.gz PIARZSWPCNAYQP-LMLFDSFASA-N 1 3 198.310 0.894 10 0 ACAEHO CO[C@H]1C[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 706517733 1169716399 /nfs/dbraw/zinc/71/63/99/1169716399.db2.gz PIARZSWPCNAYQP-LMLFDSFASA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CCN1 707602474 1169717078 /nfs/dbraw/zinc/71/70/78/1169717078.db2.gz FWEKWXDTCNMAIG-ZNSHCXBVSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H](CO)C2)CC[NH2+]1 707602474 1169717086 /nfs/dbraw/zinc/71/70/86/1169717086.db2.gz FWEKWXDTCNMAIG-ZNSHCXBVSA-N 1 3 198.310 0.487 10 0 ACAEHO OC[C@H]1C[C@@H]([NH2+]C2CCNCC2)C1 707520901 1169717696 /nfs/dbraw/zinc/71/76/96/1169717696.db2.gz SNEXNAJFLFFUGG-WAAGHKOSSA-N 1 3 184.283 0.099 10 0 ACAEHO OC[C@H]1C[C@@H](NC2CC[NH2+]CC2)C1 707520901 1169717702 /nfs/dbraw/zinc/71/77/02/1169717702.db2.gz SNEXNAJFLFFUGG-WAAGHKOSSA-N 1 3 184.283 0.099 10 0 ACAEHO [NH3+]CCCCN1CCOCC12CCC2 707278472 1169718521 /nfs/dbraw/zinc/71/85/21/1169718521.db2.gz YNWPTWIBLFLSFF-UHFFFAOYSA-N 1 3 198.310 0.980 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CCN1 707602471 1169718639 /nfs/dbraw/zinc/71/86/39/1169718639.db2.gz FWEKWXDTCNMAIG-DBIOUOCHSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H]2C[C@@H](CO)C2)CC[NH2+]1 707602471 1169718644 /nfs/dbraw/zinc/71/86/44/1169718644.db2.gz FWEKWXDTCNMAIG-DBIOUOCHSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)CCN1 707602473 1169718919 /nfs/dbraw/zinc/71/89/19/1169718919.db2.gz FWEKWXDTCNMAIG-XWLWVQCSSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[C@@H](N[C@H]2C[C@@H](CO)C2)CC[NH2+]1 707602473 1169718928 /nfs/dbraw/zinc/71/89/28/1169718928.db2.gz FWEKWXDTCNMAIG-XWLWVQCSSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)CCN1 707602472 1169719241 /nfs/dbraw/zinc/71/92/41/1169719241.db2.gz FWEKWXDTCNMAIG-UKKRHICBSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[C@H](N[C@H]2C[C@@H](CO)C2)CC[NH2+]1 707602472 1169719246 /nfs/dbraw/zinc/71/92/46/1169719246.db2.gz FWEKWXDTCNMAIG-UKKRHICBSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCOCC2)C[C@H]1CN 708886118 1169722966 /nfs/dbraw/zinc/72/29/66/1169722966.db2.gz LYLVUFURTMMYBJ-VHSXEESVSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]1C[N@H+](C2CCOCC2)C[C@H]1CN 708886118 1169722972 /nfs/dbraw/zinc/72/29/72/1169722972.db2.gz LYLVUFURTMMYBJ-VHSXEESVSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](CCO)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 709359815 1169723753 /nfs/dbraw/zinc/72/37/53/1169723753.db2.gz XATYWIGKFFMLIW-NFLHVTIKSA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CCOCC2)CCN1 709374887 1169723798 /nfs/dbraw/zinc/72/37/98/1169723798.db2.gz LKSNSVMPSZVFGR-KOLCDFICSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H](O)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709335093 1169723863 /nfs/dbraw/zinc/72/38/63/1169723863.db2.gz MEDCLCFNWDGQCQ-IZJGZUANSA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)CCN1 709372438 1169724097 /nfs/dbraw/zinc/72/40/97/1169724097.db2.gz CBFCDFOPLJJNMT-ZJUUUORDSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H]1C[C@@H](NCC2(O)CCC2)CC[NH2+]1 709372438 1169724103 /nfs/dbraw/zinc/72/41/03/1169724103.db2.gz CBFCDFOPLJJNMT-ZJUUUORDSA-N 1 3 198.310 0.632 10 0 ACAEHO OCCCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709335071 1169724285 /nfs/dbraw/zinc/72/42/85/1169724285.db2.gz LNYYYFUZYKHYAP-ULKQDVFKSA-N 1 3 184.283 0.241 10 0 ACAEHO OCCCCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709345539 1169724433 /nfs/dbraw/zinc/72/44/33/1169724433.db2.gz BRZVMVILHDWUSC-ZACCUICWSA-N 1 3 198.310 0.632 10 0 ACAEHO CC[C@H](O)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709359177 1169724469 /nfs/dbraw/zinc/72/44/69/1169724469.db2.gz UZPUPTNHWQIMFP-IXMYILBSSA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CCN[C@@H](C)C1 709374030 1169724620 /nfs/dbraw/zinc/72/46/20/1169724620.db2.gz IWNFOXDOMDUJKH-LPEHRKFASA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CC[NH2+][C@@H](C)C1 709374030 1169724626 /nfs/dbraw/zinc/72/46/26/1169724626.db2.gz IWNFOXDOMDUJKH-LPEHRKFASA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CCN[C@@H](C)C1 709374028 1169724639 /nfs/dbraw/zinc/72/46/39/1169724639.db2.gz IWNFOXDOMDUJKH-GUBZILKMSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H](O)CCN[C@H]1CC[NH2+][C@@H](C)C1 709374028 1169724646 /nfs/dbraw/zinc/72/46/46/1169724646.db2.gz IWNFOXDOMDUJKH-GUBZILKMSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C2CCOCC2)CCN1 709374886 1169724797 /nfs/dbraw/zinc/72/47/97/1169724797.db2.gz LKSNSVMPSZVFGR-GXSJLCMTSA-N 1 3 198.310 0.896 10 0 ACAEHO OC1CC(NC2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 709355949 1169724848 /nfs/dbraw/zinc/72/48/48/1169724848.db2.gz RHDIXKVWXZRTRU-ZACHXXIVSA-N 1 3 196.294 0.382 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)CCN1 709372431 1169724922 /nfs/dbraw/zinc/72/49/22/1169724922.db2.gz CBFCDFOPLJJNMT-NXEZZACHSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H]1C[C@H](NCC2(O)CCC2)CC[NH2+]1 709372431 1169724925 /nfs/dbraw/zinc/72/49/25/1169724925.db2.gz CBFCDFOPLJJNMT-NXEZZACHSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H](O)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709335091 1169724936 /nfs/dbraw/zinc/72/49/36/1169724936.db2.gz MEDCLCFNWDGQCQ-HNJRMYHASA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CCN[C@H](C)C1 709374029 1169724968 /nfs/dbraw/zinc/72/49/68/1169724968.db2.gz IWNFOXDOMDUJKH-KXUCPTDWSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CC[NH2+][C@H](C)C1 709374029 1169724972 /nfs/dbraw/zinc/72/49/72/1169724972.db2.gz IWNFOXDOMDUJKH-KXUCPTDWSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H](CO)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 709333715 1169725126 /nfs/dbraw/zinc/72/51/26/1169725126.db2.gz GSQWNKADECAPIP-HNJRMYHASA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C2CCOCC2)CCN1 709374889 1169725382 /nfs/dbraw/zinc/72/53/82/1169725382.db2.gz LKSNSVMPSZVFGR-ONGXEEELSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CCOCC2)CCN1 709374888 1169725396 /nfs/dbraw/zinc/72/53/96/1169725396.db2.gz LKSNSVMPSZVFGR-MWLCHTKSSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CCN[C@H](C)C1 709374031 1169725524 /nfs/dbraw/zinc/72/55/24/1169725524.db2.gz IWNFOXDOMDUJKH-UTLUCORTSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@H](O)CCN[C@H]1CC[NH2+][C@H](C)C1 709374031 1169725531 /nfs/dbraw/zinc/72/55/31/1169725531.db2.gz IWNFOXDOMDUJKH-UTLUCORTSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](CO)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 709333718 1169725544 /nfs/dbraw/zinc/72/55/44/1169725544.db2.gz GSQWNKADECAPIP-IZJGZUANSA-N 1 3 184.283 0.240 10 0 ACAEHO CN(C)CCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709346802 1169725646 /nfs/dbraw/zinc/72/56/46/1169725646.db2.gz FEFJVLWMYMSKTD-ZACCUICWSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)CCN1 709372433 1169725663 /nfs/dbraw/zinc/72/56/63/1169725663.db2.gz CBFCDFOPLJJNMT-UWVGGRQHSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@H]1C[C@@H](NCC2(O)CCC2)CC[NH2+]1 709372433 1169725669 /nfs/dbraw/zinc/72/56/69/1169725669.db2.gz CBFCDFOPLJJNMT-UWVGGRQHSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H](CCO)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 709359814 1169725837 /nfs/dbraw/zinc/72/58/37/1169725837.db2.gz XATYWIGKFFMLIW-GKDVJIACSA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]CC2(O)CCC2)CCN1 709372436 1169726007 /nfs/dbraw/zinc/72/60/07/1169726007.db2.gz CBFCDFOPLJJNMT-VHSXEESVSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@H]1C[C@H](NCC2(O)CCC2)CC[NH2+]1 709372436 1169726014 /nfs/dbraw/zinc/72/60/14/1169726014.db2.gz CBFCDFOPLJJNMT-VHSXEESVSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@H](CO)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709380658 1169726411 /nfs/dbraw/zinc/72/64/11/1169726411.db2.gz DEVRFCBFHFRNOD-GKDVJIACSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H](O)CCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709380544 1169726863 /nfs/dbraw/zinc/72/68/63/1169726863.db2.gz CLHPPGCNHUGTFP-GKDVJIACSA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](CO)C2)CCN1 709464220 1169727042 /nfs/dbraw/zinc/72/70/42/1169727042.db2.gz MPXFOADGTNZFMI-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](CO)C2)CCN1 709464220 1169727045 /nfs/dbraw/zinc/72/70/45/1169727045.db2.gz MPXFOADGTNZFMI-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO OCCCN1CC[C@@]2(CCC[NH2+]C2)C1 709971021 1169727103 /nfs/dbraw/zinc/72/71/03/1169727103.db2.gz LKQHWMKKLQIZBN-LLVKDONJSA-N 1 3 198.310 0.444 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](CO)C2)CCN1 709464221 1169727361 /nfs/dbraw/zinc/72/73/61/1169727361.db2.gz MPXFOADGTNZFMI-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](CO)C2)CCN1 709464221 1169727369 /nfs/dbraw/zinc/72/73/69/1169727369.db2.gz MPXFOADGTNZFMI-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)CCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709380547 1169727579 /nfs/dbraw/zinc/72/75/79/1169727579.db2.gz CLHPPGCNHUGTFP-NFLHVTIKSA-N 1 3 198.310 0.630 10 0 ACAEHO CC(C)(O)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709390935 1169727739 /nfs/dbraw/zinc/72/77/39/1169727739.db2.gz VFKAPCZOLZTXIC-ULKQDVFKSA-N 1 3 198.310 0.630 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CO)C2)CCN1 709464219 1169727929 /nfs/dbraw/zinc/72/79/29/1169727929.db2.gz MPXFOADGTNZFMI-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CO)C2)CCN1 709464219 1169727930 /nfs/dbraw/zinc/72/79/30/1169727930.db2.gz MPXFOADGTNZFMI-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](CO)CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 709380662 1169728365 /nfs/dbraw/zinc/72/83/65/1169728365.db2.gz DEVRFCBFHFRNOD-NFLHVTIKSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CO)C2)CCN1 709464218 1169728492 /nfs/dbraw/zinc/72/84/92/1169728492.db2.gz MPXFOADGTNZFMI-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CO)C2)CCN1 709464218 1169728500 /nfs/dbraw/zinc/72/85/00/1169728500.db2.gz MPXFOADGTNZFMI-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO OCCCN1CC[C@]2(CCC[NH2+]C2)C1 709971023 1169728673 /nfs/dbraw/zinc/72/86/73/1169728673.db2.gz LKQHWMKKLQIZBN-NSHDSACASA-N 1 3 198.310 0.444 10 0 ACAEHO OCC1(C[NH2+]C2CCNCC2)CCC1 717682572 1169747632 /nfs/dbraw/zinc/74/76/32/1169747632.db2.gz WGYOAFWRHBFVGV-UHFFFAOYSA-N 1 3 198.310 0.491 10 0 ACAEHO OCC1(CNC2CC[NH2+]CC2)CCC1 717682572 1169747639 /nfs/dbraw/zinc/74/76/39/1169747639.db2.gz WGYOAFWRHBFVGV-UHFFFAOYSA-N 1 3 198.310 0.491 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 718197631 1169749952 /nfs/dbraw/zinc/74/99/52/1169749952.db2.gz OOQUNJCSYPRWPE-SAVGLBRCSA-N 1 3 196.294 0.443 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 718197629 1169750656 /nfs/dbraw/zinc/75/06/56/1169750656.db2.gz OOQUNJCSYPRWPE-DAWVFNFOSA-N 1 3 196.294 0.443 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CCN1 720939513 1169756682 /nfs/dbraw/zinc/75/66/82/1169756682.db2.gz IQDFAQWSXCLIIK-CHWFTXMASA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CCN1 720939515 1169757026 /nfs/dbraw/zinc/75/70/26/1169757026.db2.gz IQDFAQWSXCLIIK-GWOFURMSSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CCN1 720994322 1169757934 /nfs/dbraw/zinc/75/79/34/1169757934.db2.gz IQDFAQWSXCLIIK-UKKRHICBSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CCN1 720994324 1169758655 /nfs/dbraw/zinc/75/86/55/1169758655.db2.gz IQDFAQWSXCLIIK-ZNSHCXBVSA-N 1 3 198.310 0.487 10 0 ACAEHO O[C@H]1C[C@H](C[NH2+]C2CCNCC2)C1 720928298 1169758766 /nfs/dbraw/zinc/75/87/66/1169758766.db2.gz MBTKUBVYHVCGFX-CZMCAQCFSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)CCN1 720939520 1169758952 /nfs/dbraw/zinc/75/89/52/1169758952.db2.gz IQDFAQWSXCLIIK-NAKRPEOUSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)CCN1 720994321 1169758991 /nfs/dbraw/zinc/75/89/91/1169758991.db2.gz IQDFAQWSXCLIIK-DBIOUOCHSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)CCN1 720939519 1169759056 /nfs/dbraw/zinc/75/90/56/1169759056.db2.gz IQDFAQWSXCLIIK-MMWGEVLESA-N 1 3 198.310 0.487 10 0 ACAEHO O[C@H]1C[C@@H](C[NH2+]C2CCNCC2)C1 720977085 1169759595 /nfs/dbraw/zinc/75/95/95/1169759595.db2.gz MBTKUBVYHVCGFX-WAAGHKOSSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)CCN1 720994323 1169759773 /nfs/dbraw/zinc/75/97/73/1169759773.db2.gz IQDFAQWSXCLIIK-XWLWVQCSSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@@H]2CC[C@H](C1)N2C 723898707 1169767242 /nfs/dbraw/zinc/76/72/42/1169767242.db2.gz QDMKAKDDXKBKDG-LPEHRKFASA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]1C[C@H](N2C[C@@H]([NH3+])[C@H](C)C2)CCO1 723465948 1169769485 /nfs/dbraw/zinc/76/94/85/1169769485.db2.gz GYMADGFUWXVHKS-LMLFDSFASA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@@H]2CC[C@H](C1)N2C 723898706 1169769557 /nfs/dbraw/zinc/76/95/57/1169769557.db2.gz QDMKAKDDXKBKDG-BBBLOLIVSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]1C[C@@H](N2C[C@@H]([NH3+])[C@H](C)C2)CCO1 723465950 1169770578 /nfs/dbraw/zinc/77/05/78/1169770578.db2.gz GYMADGFUWXVHKS-VPOLOUISSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1C[C@@H](N2C[C@@H]([NH3+])[C@H](C)C2)CCO1 723465947 1169770940 /nfs/dbraw/zinc/77/09/40/1169770940.db2.gz GYMADGFUWXVHKS-CHWFTXMASA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 724818404 1169772067 /nfs/dbraw/zinc/77/20/67/1169772067.db2.gz DASMFFXDRLRROW-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@@H]2OCC[C@H]2C1 724818404 1169772074 /nfs/dbraw/zinc/77/20/74/1169772074.db2.gz DASMFFXDRLRROW-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 724818407 1169773764 /nfs/dbraw/zinc/77/37/64/1169773764.db2.gz DASMFFXDRLRROW-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@H]2OCC[C@H]2C1 724818407 1169773772 /nfs/dbraw/zinc/77/37/72/1169773772.db2.gz DASMFFXDRLRROW-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 724818405 1169775332 /nfs/dbraw/zinc/77/53/32/1169775332.db2.gz DASMFFXDRLRROW-IVZWLZJFSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@H]2OCC[C@@H]2C1 724818405 1169775342 /nfs/dbraw/zinc/77/53/42/1169775342.db2.gz DASMFFXDRLRROW-IVZWLZJFSA-N 1 3 184.283 0.444 10 0 ACAEHO CN(C[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 52445430 566257693 /nfs/dbraw/zinc/25/76/93/566257693.db2.gz RIAMZSONSSHDCO-ZJUUUORDSA-N 1 3 184.283 0.587 10 0 ACAEHO CC[C@@H]1CCNC[C@@H]1[NH3+] 197555846 566276102 /nfs/dbraw/zinc/27/61/02/566276102.db2.gz RBCAWQWZZBWZOG-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO [NH3+][C@@H]1C=C(CC[C@H]2CCOC2)CNC1 675079048 566310886 /nfs/dbraw/zinc/31/08/86/566310886.db2.gz VKCZPIQXBFEOII-GXSJLCMTSA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+][C@@H]1C=C(CC[C@@H]2CCOC2)CNC1 675079050 566311602 /nfs/dbraw/zinc/31/16/02/566311602.db2.gz VKCZPIQXBFEOII-MWLCHTKSSA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+][C@H]1C=C(CC[C@@H]2CCOC2)CNC1 675079049 566311875 /nfs/dbraw/zinc/31/18/75/566311875.db2.gz VKCZPIQXBFEOII-KOLCDFICSA-N 1 3 196.294 0.660 10 0 ACAEHO [NH3+][C@H]1C=C(CC[C@H]2CCOC2)CNC1 675079051 566313187 /nfs/dbraw/zinc/31/31/87/566313187.db2.gz VKCZPIQXBFEOII-ONGXEEELSA-N 1 3 196.294 0.660 10 0 ACAEHO CC(C)(N)c1cn([C@@H]2CC[NH2+]C2)nn1 1326955151 1170243583 /nfs/dbraw/zinc/24/35/83/1170243583.db2.gz DVKHALZIQDJGGX-SSDOTTSWSA-N 1 3 195.270 0.006 10 0 ACAEHO CC(C)(N)c1cn([C@H]2CC[NH2+]C2)nn1 1326955164 1170244526 /nfs/dbraw/zinc/24/45/26/1170244526.db2.gz DVKHALZIQDJGGX-ZETCQYMHSA-N 1 3 195.270 0.006 10 0 ACAEHO C[C@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 1327786242 1170254865 /nfs/dbraw/zinc/25/48/65/1170254865.db2.gz QJDSHLPODNISJB-JGVFFNPUSA-N 1 3 195.270 0.222 10 0 ACAEHO C[C@@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 1327786241 1170255040 /nfs/dbraw/zinc/25/50/40/1170255040.db2.gz QJDSHLPODNISJB-HTQZYQBOSA-N 1 3 195.270 0.222 10 0 ACAEHO C[C@@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 1327786243 1170255326 /nfs/dbraw/zinc/25/53/26/1170255326.db2.gz QJDSHLPODNISJB-SFYZADRCSA-N 1 3 195.270 0.222 10 0 ACAEHO C[C@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 1327786244 1170255911 /nfs/dbraw/zinc/25/59/11/1170255911.db2.gz QJDSHLPODNISJB-YUMQZZPRSA-N 1 3 195.270 0.222 10 0 ACAEHO COCC1([N@H+](C)C[C@@H](C)N)CCC1 1330699064 1170282385 /nfs/dbraw/zinc/28/23/85/1170282385.db2.gz YUVGKENGOWGRIS-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCC1([N@@H+](C)C[C@@H](C)N)CCC1 1330699064 1170282391 /nfs/dbraw/zinc/28/23/91/1170282391.db2.gz YUVGKENGOWGRIS-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCC1([N@H+](C)C[C@H](C)N)CCC1 1330699065 1170283453 /nfs/dbraw/zinc/28/34/53/1170283453.db2.gz YUVGKENGOWGRIS-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO COCC1([N@@H+](C)C[C@H](C)N)CCC1 1330699065 1170283458 /nfs/dbraw/zinc/28/34/58/1170283458.db2.gz YUVGKENGOWGRIS-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](N)C[N@@H+]1C2CCC1(CO)CC2 1333162539 1170321156 /nfs/dbraw/zinc/32/11/56/1170321156.db2.gz DARKNXFEILKKRG-XNWIYYODSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@H](N)C[N@H+]1C2CCC1(CO)CC2 1333162539 1170321164 /nfs/dbraw/zinc/32/11/64/1170321164.db2.gz DARKNXFEILKKRG-XNWIYYODSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](N)C[N@@H+]1C2CCC1(CO)CC2 1333162538 1170321821 /nfs/dbraw/zinc/32/18/21/1170321821.db2.gz DARKNXFEILKKRG-IDKOKCKLSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](N)C[N@H+]1C2CCC1(CO)CC2 1333162538 1170321829 /nfs/dbraw/zinc/32/18/29/1170321829.db2.gz DARKNXFEILKKRG-IDKOKCKLSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@H]1CN(CCF)CC[C@H]1C[NH3+] 1354183767 1170547038 /nfs/dbraw/zinc/54/70/38/1170547038.db2.gz FHTBJHQYUADMCV-BDAKNGLRSA-N 1 3 174.263 0.873 10 0 ACAEHO C[C@H]1CN(CCF)CC[C@@H]1C[NH3+] 1354183778 1170548320 /nfs/dbraw/zinc/54/83/20/1170548320.db2.gz FHTBJHQYUADMCV-DTWKUNHWSA-N 1 3 174.263 0.873 10 0 ACAEHO C[C@H]1CN(CCF)CC[C@H]1C[NH3+] 1354183781 1170548464 /nfs/dbraw/zinc/54/84/64/1170548464.db2.gz FHTBJHQYUADMCV-IUCAKERBSA-N 1 3 174.263 0.873 10 0 ACAEHO C[C@@H]1CN(CCF)CC[C@@H]1C[NH3+] 1354183783 1170548728 /nfs/dbraw/zinc/54/87/28/1170548728.db2.gz FHTBJHQYUADMCV-RKDXNWHRSA-N 1 3 174.263 0.873 10 0 ACAEHO C[NH2+]C[C@H](C1CC1)C1CN(C)C1 213809681 571672465 /nfs/dbraw/zinc/67/24/65/571672465.db2.gz SLLRMPMJXKXJAS-SNVBAGLBSA-N 1 3 168.284 0.794 10 0 ACAEHO C[NH2+]C[C@@H](C1CC1)C1CN(C)C1 213809620 571672943 /nfs/dbraw/zinc/67/29/43/571672943.db2.gz SLLRMPMJXKXJAS-JTQLQIEISA-N 1 3 168.284 0.794 10 0 ACAEHO CN1CC([C@@H](CC[NH3+])C2CC2)C1 213809474 571673012 /nfs/dbraw/zinc/67/30/12/571673012.db2.gz QRKRNFLNOZWRNL-JTQLQIEISA-N 1 3 168.284 0.923 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1CC[C@H](CN)C1 50249317 571673662 /nfs/dbraw/zinc/67/36/62/571673662.db2.gz DTDLQKIZICFCSQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H](O)C[N@H+]1CC[C@H](CN)C1 50249317 571673665 /nfs/dbraw/zinc/67/36/65/571673665.db2.gz DTDLQKIZICFCSQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CC([C@H](CC[NH3+])C2CC2)C1 213809528 571673666 /nfs/dbraw/zinc/67/36/66/571673666.db2.gz QRKRNFLNOZWRNL-SNVBAGLBSA-N 1 3 168.284 0.923 10 0 ACAEHO CC[C@@H](O)CN1CC[C@H](C[NH3+])C1 50249317 571673668 /nfs/dbraw/zinc/67/36/68/571673668.db2.gz DTDLQKIZICFCSQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CCCN1[C@@H](C)CCN(C)C[C@H]1C[NH3+] 249987586 571675300 /nfs/dbraw/zinc/67/53/00/571675300.db2.gz MYPZNBOCGGJZAZ-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN1[C@H](C)CCN(C)C[C@H]1C[NH3+] 249987584 571675482 /nfs/dbraw/zinc/67/54/82/571675482.db2.gz MYPZNBOCGGJZAZ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 52278454 571677314 /nfs/dbraw/zinc/67/73/14/571677314.db2.gz YFRMFDATFLWCLT-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@@H]1C1CCOCC1 712083372 571677863 /nfs/dbraw/zinc/67/78/63/571677863.db2.gz ICZDHKCMRWAMRX-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CNC[C@H](C)[NH2+]C[C@@H](C)n1cncn1 234402370 571678372 /nfs/dbraw/zinc/67/83/72/571678372.db2.gz ZLXJIBSXHXDFQL-DTWKUNHWSA-N 1 3 197.286 0.037 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@H]1C1CCOCC1 712083380 571679160 /nfs/dbraw/zinc/67/91/60/571679160.db2.gz ICZDHKCMRWAMRX-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CCC[N@H+](C)C[C@H](C)CN 37097913 571679494 /nfs/dbraw/zinc/67/94/94/571679494.db2.gz URTJNIBIDZOHQH-MRVPVSSYSA-N 1 3 144.262 0.923 10 0 ACAEHO CCC[N@@H+](C)C[C@H](C)CN 37097913 571679496 /nfs/dbraw/zinc/67/94/96/571679496.db2.gz URTJNIBIDZOHQH-MRVPVSSYSA-N 1 3 144.262 0.923 10 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JTYNCJGXUDIZAT-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO CN(C[C@H]1CC[C@H](C[NH3+])O1)C1CC1 52445431 571681567 /nfs/dbraw/zinc/68/15/67/571681567.db2.gz RIAMZSONSSHDCO-NXEZZACHSA-N 1 3 184.283 0.587 10 0 ACAEHO C[NH2+]CCCN1CC2CC(C2)C1 213933113 571683033 /nfs/dbraw/zinc/68/30/33/571683033.db2.gz NJWJNBRHJPEAOG-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H](CCC[NH3+])N1CCO[C@H](C)C1 52382569 571683087 /nfs/dbraw/zinc/68/30/87/571683087.db2.gz AZBZSGLZARNOFW-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO COC[C@](C)(C[NH3+])N1CCC[C@H]1C 53198236 571683331 /nfs/dbraw/zinc/68/33/31/571683331.db2.gz ZBIWDZXWEXBOFB-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@@]12CCN(C)C2 712080637 571684743 /nfs/dbraw/zinc/68/47/43/571684743.db2.gz BUCGMQZXECICNK-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@]12CCN(C)C2 712080654 571685412 /nfs/dbraw/zinc/68/54/12/571685412.db2.gz BUCGMQZXECICNK-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@]12CCN(C)C2 712080613 571686387 /nfs/dbraw/zinc/68/63/87/571686387.db2.gz BUCGMQZXECICNK-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@H]1CCCO 52760538 571686582 /nfs/dbraw/zinc/68/65/82/571686582.db2.gz UQMUZPWPFQOGRW-VIFPVBQESA-N 1 3 199.298 0.549 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@@]12CCN(C)C2 712080672 571687608 /nfs/dbraw/zinc/68/76/08/571687608.db2.gz BUCGMQZXECICNK-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CNC[C@H](C)[NH2+]CCn1cccn1 234402250 571688062 /nfs/dbraw/zinc/68/80/62/571688062.db2.gz ZYMOKIFDGXKALT-VIFPVBQESA-N 1 3 182.271 0.081 10 0 ACAEHO CCC[N@@H+]1C[C@H](C)N(C)[C@@H](CNC)C1 250010806 571689635 /nfs/dbraw/zinc/68/96/35/571689635.db2.gz PVIJSJWFQZXHSS-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[N@H+]1C[C@H](C)N(C)[C@@H](CNC)C1 250010806 571689640 /nfs/dbraw/zinc/68/96/40/571689640.db2.gz PVIJSJWFQZXHSS-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CNC[C@H](C)[NH2+]C[C@H](C)n1cncn1 234402581 571689862 /nfs/dbraw/zinc/68/98/62/571689862.db2.gz ZLXJIBSXHXDFQL-IUCAKERBSA-N 1 3 197.286 0.037 10 0 ACAEHO CCC[N@H+]1C[C@H](CNC)N(C)[C@H](C)C1 250010800 571690741 /nfs/dbraw/zinc/69/07/41/571690741.db2.gz PVIJSJWFQZXHSS-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[N@@H+]1C[C@H](CNC)N(C)[C@H](C)C1 250010800 571690742 /nfs/dbraw/zinc/69/07/42/571690742.db2.gz PVIJSJWFQZXHSS-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCOCCNC[C@H]1CC[N@H+](C)C1 37995413 571693064 /nfs/dbraw/zinc/69/30/64/571693064.db2.gz ZJLAFAOXQFDEQZ-SNVBAGLBSA-N 1 3 186.299 0.564 10 0 ACAEHO CCOCCNC[C@H]1CC[N@@H+](C)C1 37995413 571693067 /nfs/dbraw/zinc/69/30/67/571693067.db2.gz ZJLAFAOXQFDEQZ-SNVBAGLBSA-N 1 3 186.299 0.564 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C2CC(OC)C2)C1 234404298 571694028 /nfs/dbraw/zinc/69/40/28/571694028.db2.gz QBQJZZGZBXBNAM-KPPDAEKUSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@H](C)[C@H](C)N(C)CCC[NH3+] 229408777 571694089 /nfs/dbraw/zinc/69/40/89/571694089.db2.gz PLEFGGVJZCIRDF-DTWKUNHWSA-N 1 3 174.288 0.690 10 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/nfs/dbraw/zinc/69/59/34/571695934.db2.gz VKLHBOZOFNWFBO-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CC[N@@H+]1CC[C@H](N)[C@@]12CCCN(C)C2 712096580 571696496 /nfs/dbraw/zinc/69/64/96/571696496.db2.gz VKLHBOZOFNWFBO-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[N@H+]1CC[C@H](N)[C@@]12CCCN(C)C2 712096580 571696499 /nfs/dbraw/zinc/69/64/99/571696499.db2.gz VKLHBOZOFNWFBO-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@@]12CCCN(C)C2 712096580 571696503 /nfs/dbraw/zinc/69/65/03/571696503.db2.gz VKLHBOZOFNWFBO-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO C[NH2+][C@@H](C)CCN1CCN(C)C[C@@H]1C 234406832 571696896 /nfs/dbraw/zinc/69/68/96/571696896.db2.gz RPFFZOCOVKQUMR-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CCCN1C[C@@H](C)C[NH2+]C[C@H]1CO 250031349 571696872 /nfs/dbraw/zinc/69/68/72/571696872.db2.gz SEPOTIZWJVCFRG-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCC[N@@H+]1CC(C)(C)N(C)C[C@H]1CN 250031763 571696961 /nfs/dbraw/zinc/69/69/61/571696961.db2.gz SIAPHZINOFUBDC-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CCC[N@H+]1CC(C)(C)N(C)C[C@H]1CN 250031763 571696964 /nfs/dbraw/zinc/69/69/64/571696964.db2.gz SIAPHZINOFUBDC-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO COCCNC[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620390 571698162 /nfs/dbraw/zinc/69/81/62/571698162.db2.gz CQCHYKZCIYGYFU-RCWTZXSCSA-N 1 3 198.310 0.596 10 0 ACAEHO CN(C)CCN(C)C[C@]1(C)CCC[NH2+]1 70619966 571698367 /nfs/dbraw/zinc/69/83/67/571698367.db2.gz HOFBQNPWKBXCCR-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN(C)C[C@@]1(C)CCC[NH2+]1 70619965 571699606 /nfs/dbraw/zinc/69/96/06/571699606.db2.gz HOFBQNPWKBXCCR-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO COCCNC[C@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620389 571699742 /nfs/dbraw/zinc/69/97/42/571699742.db2.gz CQCHYKZCIYGYFU-YTWAJWBKSA-N 1 3 198.310 0.596 10 0 ACAEHO CCCN1CC[C@H]([C@@H]([NH3+])CO)C1 250046920 571699892 /nfs/dbraw/zinc/69/98/92/571699892.db2.gz VMEVRPZEOJUPBM-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@]1(C)C[C@@H]1CCCO1 712125330 571699975 /nfs/dbraw/zinc/69/99/75/571699975.db2.gz UDCPJGGNHRZUFG-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@]1(C)C[C@@H]1CCCO1 712125330 571699976 /nfs/dbraw/zinc/69/99/76/571699976.db2.gz UDCPJGGNHRZUFG-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO CN1CCC[C@]2(C1)[C@@H]([NH3+])CCN2C 712117973 571700153 /nfs/dbraw/zinc/70/01/53/571700153.db2.gz CNZDNSIEDIEFRP-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C)[C@H](C[NH3+])[C@H]1CCCCN1 214012818 571700158 /nfs/dbraw/zinc/70/01/58/571700158.db2.gz XKVJOWKANZJSEB-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO CCCN[C@@](CC)(C[NH3+])COC 70624603 571700558 /nfs/dbraw/zinc/70/05/58/571700558.db2.gz AFJFNOPRYUXVOT-VIFPVBQESA-N 1 3 174.288 0.740 10 0 ACAEHO CN1CCC[C@@]2(C1)[C@H]([NH3+])CCN2C 712117971 571700674 /nfs/dbraw/zinc/70/06/74/571700674.db2.gz CNZDNSIEDIEFRP-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO CC[C@H](COC)[N@@H+]1CC[C@H](CN)C1 70624736 571701001 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ACAEHO CC[C@H](COC)[N@@H+]1CCCNCC1 70624720 571701347 /nfs/dbraw/zinc/70/13/47/571701347.db2.gz GWJKNKGDRKVVKK-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@H](COC)[N@H+]1CCCNCC1 70624720 571701349 /nfs/dbraw/zinc/70/13/49/571701349.db2.gz GWJKNKGDRKVVKK-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@](C[NH3+])(COC)N1CCCC1 70624512 571701366 /nfs/dbraw/zinc/70/13/66/571701366.db2.gz ONCLROUIVVPEKW-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@]1(C)C[C@H]1CCCO1 712125338 571701543 /nfs/dbraw/zinc/70/15/43/571701543.db2.gz UDCPJGGNHRZUFG-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@]1(C)C[C@H]1CCCO1 712125338 571701546 /nfs/dbraw/zinc/70/15/46/571701546.db2.gz UDCPJGGNHRZUFG-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@@](C[NH3+])(COC)N1CCCC1 70624511 571701777 /nfs/dbraw/zinc/70/17/77/571701777.db2.gz ONCLROUIVVPEKW-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@@H](O)C1CCN(CCC(N)=[NH2+])CC1 235241243 571701914 /nfs/dbraw/zinc/70/19/14/571701914.db2.gz SSWPWMJYILFJRS-MRVPVSSYSA-N 1 3 199.298 0.405 10 0 ACAEHO CCCN1[C@H](C)CN(C)C[C@H]1CC[NH3+] 250041130 571701930 /nfs/dbraw/zinc/70/19/30/571701930.db2.gz UNASHIQCWYUQMO-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)[C@@H](C[NH3+])[C@@H]1CCCCN1 214012640 571702067 /nfs/dbraw/zinc/70/20/67/571702067.db2.gz XKVJOWKANZJSEB-IUCAKERBSA-N 1 3 171.288 0.017 10 0 ACAEHO CN(C)[C@@H](C[NH3+])[C@H]1CCCCN1 214012756 571702046 /nfs/dbraw/zinc/70/20/46/571702046.db2.gz XKVJOWKANZJSEB-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO CC[C@H](COC)[NH2+]C1CCNCC1 70625062 571702078 /nfs/dbraw/zinc/70/20/78/571702078.db2.gz WFIKBOPYAXXUQN-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO CC[C@H](COC)NC1CC[NH2+]CC1 70625062 571702081 /nfs/dbraw/zinc/70/20/81/571702081.db2.gz WFIKBOPYAXXUQN-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO CCN[C@](CC)(C[NH3+])COC 70624601 571702148 /nfs/dbraw/zinc/70/21/48/571702148.db2.gz NVWSYJSRJBWSAB-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@@H](COC)[N@@H+]1CCCNCC1 70624719 571702156 /nfs/dbraw/zinc/70/21/56/571702156.db2.gz GWJKNKGDRKVVKK-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@@H](COC)[N@H+]1CCCNCC1 70624719 571702157 /nfs/dbraw/zinc/70/21/57/571702157.db2.gz GWJKNKGDRKVVKK-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CCN[C@@](CC)(C[NH3+])COC 70624602 571702255 /nfs/dbraw/zinc/70/22/55/571702255.db2.gz NVWSYJSRJBWSAB-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@H](COC)NCCC[NH3+] 70624144 571702268 /nfs/dbraw/zinc/70/22/68/571702268.db2.gz WCPCJOUXFWVGDD-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@H](COC)[NH2+]CCCN 70624144 571702272 /nfs/dbraw/zinc/70/22/72/571702272.db2.gz WCPCJOUXFWVGDD-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@H](COC)[N@@H+]1CCC[C@H](N)C1 70624726 571702321 /nfs/dbraw/zinc/70/23/21/571702321.db2.gz CLJXDPCFJWAVOV-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H](COC)[N@H+]1CCC[C@H](N)C1 70624726 571702326 /nfs/dbraw/zinc/70/23/26/571702326.db2.gz CLJXDPCFJWAVOV-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@](C[NH3+])(COC)NC(C)C 70624605 571702573 /nfs/dbraw/zinc/70/25/73/571702573.db2.gz ZIAJPZHKFSJOFU-SECBINFHSA-N 1 3 174.288 0.738 10 0 ACAEHO CC[NH+](CC)[C@H]1CN(C)CC[C@H]1N 250051810 571702619 /nfs/dbraw/zinc/70/26/19/571702619.db2.gz XJEDORJCUKSRON-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCCN[C@](CC)(C[NH3+])COC 70624604 571702650 /nfs/dbraw/zinc/70/26/50/571702650.db2.gz AFJFNOPRYUXVOT-SECBINFHSA-N 1 3 174.288 0.740 10 0 ACAEHO CN1CCC[C@@]2(C1)[C@@H]([NH3+])CCN2C 712117977 571702735 /nfs/dbraw/zinc/70/27/35/571702735.db2.gz CNZDNSIEDIEFRP-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CC[C@](C[NH3+])(COC)NC(C)C 70624606 571702754 /nfs/dbraw/zinc/70/27/54/571702754.db2.gz ZIAJPZHKFSJOFU-VIFPVBQESA-N 1 3 174.288 0.738 10 0 ACAEHO CC[C@@H](COC)[N@@H+]1CCC[C@H](N)C1 70624725 571702849 /nfs/dbraw/zinc/70/28/49/571702849.db2.gz CLJXDPCFJWAVOV-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](COC)[N@H+]1CCC[C@H](N)C1 70624725 571702853 /nfs/dbraw/zinc/70/28/53/571702853.db2.gz CLJXDPCFJWAVOV-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@@]1(C)C[C@@H]1CCCO1 712125333 571703131 /nfs/dbraw/zinc/70/31/31/571703131.db2.gz UDCPJGGNHRZUFG-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@@]1(C)C[C@@H]1CCCO1 712125333 571703134 /nfs/dbraw/zinc/70/31/34/571703134.db2.gz UDCPJGGNHRZUFG-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CCCN1CCN(C)C[C@H]1CC[NH3+] 250041113 571703296 /nfs/dbraw/zinc/70/32/96/571703296.db2.gz UMHWXSOULYAAMU-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[N@@H+]1CC[C@H](N)[C@@]1(C)C[C@H]1CCCO1 712125335 571703309 /nfs/dbraw/zinc/70/33/09/571703309.db2.gz UDCPJGGNHRZUFG-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+]1CC[C@H](N)[C@@]1(C)C[C@H]1CCCO1 712125335 571703311 /nfs/dbraw/zinc/70/33/11/571703311.db2.gz UDCPJGGNHRZUFG-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO CCCN1CC[C@@H]([C@@H]([NH3+])CO)C1 250046919 571703369 /nfs/dbraw/zinc/70/33/69/571703369.db2.gz VMEVRPZEOJUPBM-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CCOC1CC2(C1)[C@@H](N)CC[N@@H+]2CC 712128261 571703587 /nfs/dbraw/zinc/70/35/87/571703587.db2.gz ZMIFGRSBUWNFGT-YVNMAJEFSA-N 1 3 198.310 0.977 10 0 ACAEHO CCOC1CC2(C1)[C@@H](N)CC[N@H+]2CC 712128261 571703590 /nfs/dbraw/zinc/70/35/90/571703590.db2.gz ZMIFGRSBUWNFGT-YVNMAJEFSA-N 1 3 198.310 0.977 10 0 ACAEHO CCCN1[C@@H](C)CN(C)C[C@H]1CC[NH3+] 250041133 571704184 /nfs/dbraw/zinc/70/41/84/571704184.db2.gz UNASHIQCWYUQMO-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[NH+](CC)[C@@H]1CN(C)CC[C@H]1N 250051808 571704274 /nfs/dbraw/zinc/70/42/74/571704274.db2.gz XJEDORJCUKSRON-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1CN 235251798 571705014 /nfs/dbraw/zinc/70/50/14/571705014.db2.gz OQTBAHYVDGXCDZ-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1CN 235251798 571705019 /nfs/dbraw/zinc/70/50/19/571705019.db2.gz OQTBAHYVDGXCDZ-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[N@@H+]1CCCNC[C@@H]1C1CC1 23004688 571705372 /nfs/dbraw/zinc/70/53/72/571705372.db2.gz XTJHLOMPVBAXNO-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CCCNC[C@@H]1C1CC1 23004688 571705375 /nfs/dbraw/zinc/70/53/75/571705375.db2.gz XTJHLOMPVBAXNO-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CCC[NH2+]C[C@@H]1C1CC1 23004688 571705378 /nfs/dbraw/zinc/70/53/78/571705378.db2.gz XTJHLOMPVBAXNO-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO [NH3+]CCCN1C[C@@H]2C[C@H](C1)S2 214041633 571705984 /nfs/dbraw/zinc/70/59/84/571705984.db2.gz LCWSSRVAXZCGTE-OCAPTIKFSA-N 1 3 172.297 0.525 10 0 ACAEHO CC[C@@H]1[C@@H]([NH3+])CCN1CC 22943661 571706271 /nfs/dbraw/zinc/70/62/71/571706271.db2.gz BNOYCDQDTWFSTL-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H]1CNCCC[N@@H+]1C1CC1 23004699 571706742 /nfs/dbraw/zinc/70/67/42/571706742.db2.gz OZYYFKMOYJEUCF-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H]1CNCCC[N@H+]1C1CC1 23004699 571706744 /nfs/dbraw/zinc/70/67/44/571706744.db2.gz OZYYFKMOYJEUCF-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[N@H+]1CCCNC[C@H]1C1CC1 23004689 571707766 /nfs/dbraw/zinc/70/77/66/571707766.db2.gz XTJHLOMPVBAXNO-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO CN[C@@H]1C[C@H]2CCC[N@@H+]2C1 23023189 571707642 /nfs/dbraw/zinc/70/76/42/571707642.db2.gz WDAHFOZDRTZNHU-HTQZYQBOSA-N 1 3 140.230 0.443 10 0 ACAEHO CN[C@@H]1C[C@H]2CCC[N@H+]2C1 23023189 571707647 /nfs/dbraw/zinc/70/76/47/571707647.db2.gz WDAHFOZDRTZNHU-HTQZYQBOSA-N 1 3 140.230 0.443 10 0 ACAEHO CN[C@@H]1C[C@@H]2CCC[N@@H+]2C1 23023182 571707729 /nfs/dbraw/zinc/70/77/29/571707729.db2.gz WDAHFOZDRTZNHU-SFYZADRCSA-N 1 3 140.230 0.443 10 0 ACAEHO CN[C@@H]1C[C@@H]2CCC[N@H+]2C1 23023182 571707730 /nfs/dbraw/zinc/70/77/30/571707730.db2.gz WDAHFOZDRTZNHU-SFYZADRCSA-N 1 3 140.230 0.443 10 0 ACAEHO C[N@@H+]1CCCNC[C@H]1C1CC1 23004689 571707762 /nfs/dbraw/zinc/70/77/62/571707762.db2.gz XTJHLOMPVBAXNO-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CCC[NH2+]C[C@H]1C1CC1 23004689 571707769 /nfs/dbraw/zinc/70/77/69/571707769.db2.gz XTJHLOMPVBAXNO-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO CN[C@H]1C[C@H]2CCC[N@@H+]2C1 23023191 571707973 /nfs/dbraw/zinc/70/79/73/571707973.db2.gz WDAHFOZDRTZNHU-JGVFFNPUSA-N 1 3 140.230 0.443 10 0 ACAEHO CN[C@H]1C[C@H]2CCC[N@H+]2C1 23023191 571707974 /nfs/dbraw/zinc/70/79/74/571707974.db2.gz WDAHFOZDRTZNHU-JGVFFNPUSA-N 1 3 140.230 0.443 10 0 ACAEHO CN1CCN(CCCC2([NH3+])CC2)CC1 214059615 571708669 /nfs/dbraw/zinc/70/86/69/571708669.db2.gz ZZTGBNRNFKHXKM-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO C[C@@H]1CNCCC[N@@H+]1C1CC1 23004697 571709617 /nfs/dbraw/zinc/70/96/17/571709617.db2.gz OZYYFKMOYJEUCF-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@@H]1CNCCC[N@H+]1C1CC1 23004697 571709619 /nfs/dbraw/zinc/70/96/19/571709619.db2.gz OZYYFKMOYJEUCF-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1C[C@@H]2CCC[N@@H+]2C1 23023185 571709637 /nfs/dbraw/zinc/70/96/37/571709637.db2.gz WDAHFOZDRTZNHU-YUMQZZPRSA-N 1 3 140.230 0.443 10 0 ACAEHO CN[C@H]1C[C@@H]2CCC[N@H+]2C1 23023185 571709640 /nfs/dbraw/zinc/70/96/40/571709640.db2.gz WDAHFOZDRTZNHU-YUMQZZPRSA-N 1 3 140.230 0.443 10 0 ACAEHO CCN1CCN(CCC2([NH3+])CC2)CC1 214059942 571710029 /nfs/dbraw/zinc/71/00/29/571710029.db2.gz GBFWSAJWYKZGDB-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO CC[N@@H+]1CC[C@H](N)[C@@]12CO[C@H](C)C2 712139774 571710486 /nfs/dbraw/zinc/71/04/86/571710486.db2.gz YIEPKZLOVLYBJY-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO CC[N@H+]1CC[C@H](N)[C@@]12CO[C@H](C)C2 712139774 571710488 /nfs/dbraw/zinc/71/04/88/571710488.db2.gz YIEPKZLOVLYBJY-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H](CNC1CC[NH2+]CC1)N(C)C 38087332 571710726 /nfs/dbraw/zinc/71/07/26/571710726.db2.gz BOHLVJUUTZYCRS-SECBINFHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[NH2+]C[C@H](O)CN(CC1CC1)C1CC1 70635410 571712407 /nfs/dbraw/zinc/71/24/07/571712407.db2.gz UYCZTEOHNCDMAC-NSHDSACASA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@H](O)C[N@H+](CC1CC1)C1CC1 70635410 571712410 /nfs/dbraw/zinc/71/24/10/571712410.db2.gz UYCZTEOHNCDMAC-NSHDSACASA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@H](O)C[N@@H+](CC1CC1)C1CC1 70635410 571712412 /nfs/dbraw/zinc/71/24/12/571712412.db2.gz UYCZTEOHNCDMAC-NSHDSACASA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH+](C)CCCNCC1(CO)CC1 125768242 571712558 /nfs/dbraw/zinc/71/25/58/571712558.db2.gz QPXRRYWAOIQAKS-UHFFFAOYSA-N 1 3 186.299 0.300 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(CC1CC1)C1CC1 70635412 571712651 /nfs/dbraw/zinc/71/26/51/571712651.db2.gz UYCZTEOHNCDMAC-LLVKDONJSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@@H](O)C[N@H+](CC1CC1)C1CC1 70635412 571712655 /nfs/dbraw/zinc/71/26/55/571712655.db2.gz UYCZTEOHNCDMAC-LLVKDONJSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@@H](O)C[N@@H+](CC1CC1)C1CC1 70635412 571712657 /nfs/dbraw/zinc/71/26/57/571712657.db2.gz UYCZTEOHNCDMAC-LLVKDONJSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[N@@H+]1CC[C@H](N)[C@@]12CO[C@@H](C)C2 712139776 571712700 /nfs/dbraw/zinc/71/27/00/571712700.db2.gz YIEPKZLOVLYBJY-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO CC[N@H+]1CC[C@H](N)[C@@]12CO[C@@H](C)C2 712139776 571712702 /nfs/dbraw/zinc/71/27/02/571712702.db2.gz YIEPKZLOVLYBJY-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H](CN(C)CCC[NH3+])C1CC1 400188880 571713019 /nfs/dbraw/zinc/71/30/19/571713019.db2.gz VMRUDNWDWAWGBI-JTQLQIEISA-N 1 3 186.299 0.692 10 0 ACAEHO NC[C@H](O)C[N@H+](CC1CC1)C1CC1 70635408 571713306 /nfs/dbraw/zinc/71/33/06/571713306.db2.gz AFTNZGSVKUSXSH-JTQLQIEISA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@H](O)C[N@@H+](CC1CC1)C1CC1 70635408 571713309 /nfs/dbraw/zinc/71/33/09/571713309.db2.gz AFTNZGSVKUSXSH-JTQLQIEISA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C[C@H](O)CN(CC1CC1)C1CC1 70635408 571713313 /nfs/dbraw/zinc/71/33/13/571713313.db2.gz AFTNZGSVKUSXSH-JTQLQIEISA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H](O)C[N@H+](CC1CC1)C1CC1 70635406 571713439 /nfs/dbraw/zinc/71/34/39/571713439.db2.gz AFTNZGSVKUSXSH-SNVBAGLBSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H](O)C[N@@H+](CC1CC1)C1CC1 70635406 571713440 /nfs/dbraw/zinc/71/34/40/571713440.db2.gz AFTNZGSVKUSXSH-SNVBAGLBSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C[C@@H](O)CN(CC1CC1)C1CC1 70635406 571713442 /nfs/dbraw/zinc/71/34/42/571713442.db2.gz AFTNZGSVKUSXSH-SNVBAGLBSA-N 1 3 184.283 0.180 10 0 ACAEHO CC[N@@H+]1CC[C@H](N)[C@]12CO[C@H](C)C2 712139779 571713496 /nfs/dbraw/zinc/71/34/96/571713496.db2.gz YIEPKZLOVLYBJY-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO CC[N@H+]1CC[C@H](N)[C@]12CO[C@H](C)C2 712139779 571713497 /nfs/dbraw/zinc/71/34/97/571713497.db2.gz YIEPKZLOVLYBJY-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[NH+](C)CCCN1CCC[C@H]1CO 122271757 571713793 /nfs/dbraw/zinc/71/37/93/571713793.db2.gz CMRCAVQRTBUDKB-JTQLQIEISA-N 1 3 186.299 0.395 10 0 ACAEHO CO[C@H](CN(C)CCC[NH3+])C1CC1 400188881 571714743 /nfs/dbraw/zinc/71/47/43/571714743.db2.gz VMRUDNWDWAWGBI-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]([NH3+])Cc1nc(CCN(C)C)no1 134760907 571716430 /nfs/dbraw/zinc/71/64/30/571716430.db2.gz MLSVLMAQQOGYKZ-SSDOTTSWSA-N 1 3 198.270 0.063 10 0 ACAEHO OC1(CCN[C@H]2CCC[NH2+]CC2)CC1 214118756 571716815 /nfs/dbraw/zinc/71/68/15/571716815.db2.gz HZGUGVVOECEBCY-JTQLQIEISA-N 1 3 198.310 0.633 10 0 ACAEHO OC1(CC[NH2+][C@H]2CCCNCC2)CC1 214118756 571716816 /nfs/dbraw/zinc/71/68/16/571716816.db2.gz HZGUGVVOECEBCY-JTQLQIEISA-N 1 3 198.310 0.633 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])Cc1ccccn1 11736656 571716626 /nfs/dbraw/zinc/71/66/26/571716626.db2.gz HEIHPOLFSOSADR-SNVBAGLBSA-N 1 3 193.294 0.761 10 0 ACAEHO OC1(CNC[C@@H]2CCCC[NH2+]C2)CC1 214118093 571716751 /nfs/dbraw/zinc/71/67/51/571716751.db2.gz SSKNGOYBOWMNSF-SNVBAGLBSA-N 1 3 198.310 0.491 10 0 ACAEHO OC1(CN[C@@H]2CCCC[NH2+]CC2)CC1 214116823 571716862 /nfs/dbraw/zinc/71/68/62/571716862.db2.gz CBXSJHHRNDCDKW-SNVBAGLBSA-N 1 3 198.310 0.633 10 0 ACAEHO C[NH2+][C@H]1CCCN(CC2(O)CC2)CC1 214117668 571717045 /nfs/dbraw/zinc/71/70/45/571717045.db2.gz MIEMWXNAANIEOE-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO C[N@H+](CCC1(O)CC1)C1CCNCC1 214118672 571717159 /nfs/dbraw/zinc/71/71/59/571717159.db2.gz HJZPNTMCFUAKQA-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO C[N@@H+](CCC1(O)CC1)C1CCNCC1 214118672 571717163 /nfs/dbraw/zinc/71/71/63/571717163.db2.gz HJZPNTMCFUAKQA-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO NC[C@@H]1CCCC[N@H+](CC2(O)CC2)C1 214117204 571717173 /nfs/dbraw/zinc/71/71/73/571717173.db2.gz LDKUWTPQWYLDMV-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@H]1CCCC[N@@H+](CC2(O)CC2)C1 214117204 571717179 /nfs/dbraw/zinc/71/71/79/571717179.db2.gz LDKUWTPQWYLDMV-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO CN(CC1(O)CC1)[C@H]1CCC[NH2+]CC1 214116744 571717310 /nfs/dbraw/zinc/71/73/10/571717310.db2.gz PHSLSXWQYDSSGT-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO [NH3+]C[C@H]1CCCN(CCC2(O)CC2)C1 214119103 571717409 /nfs/dbraw/zinc/71/74/09/571717409.db2.gz QUERCWSULFFTRR-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@H]1CCC[N@H+](CCC2(O)CC2)C1 214119103 571717413 /nfs/dbraw/zinc/71/74/13/571717413.db2.gz QUERCWSULFFTRR-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@H]1CCC[N@@H+](CCC2(O)CC2)C1 214119103 571717416 /nfs/dbraw/zinc/71/74/16/571717416.db2.gz QUERCWSULFFTRR-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO OC1(CC[NH2+]C[C@H]2CCCNC2)CC1 214118895 571717445 /nfs/dbraw/zinc/71/74/45/571717445.db2.gz FGQIEYMRIQMNRW-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO OC1(CCNC[C@H]2CCC[NH2+]C2)CC1 214118895 571717448 /nfs/dbraw/zinc/71/74/48/571717448.db2.gz FGQIEYMRIQMNRW-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO CCN[C@H](CO)CC[N@H+](C)C(C)C 84845325 571717463 /nfs/dbraw/zinc/71/74/63/571717463.db2.gz HBQVMKRSQIDMTL-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CCN[C@H](CO)CC[N@@H+](C)C(C)C 84845325 571717465 /nfs/dbraw/zinc/71/74/65/571717465.db2.gz HBQVMKRSQIDMTL-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO [NH3+]C[C@H]1CCCCCN1CC1(O)CC1 214117343 571717509 /nfs/dbraw/zinc/71/75/09/571717509.db2.gz HUFGNUJFTDVFQN-SNVBAGLBSA-N 1 3 198.310 0.715 10 0 ACAEHO CCN[C@@H](CO)CC[N@H+](C)CC 84845508 571717532 /nfs/dbraw/zinc/71/75/32/571717532.db2.gz YWDKUXCJCLWBFP-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CCN[C@@H](CO)CC[N@@H+](C)CC 84845508 571717535 /nfs/dbraw/zinc/71/75/35/571717535.db2.gz YWDKUXCJCLWBFP-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO [NH3+][C@@H]1CCCN(CCC2(O)CC2)CC1 214119823 571717565 /nfs/dbraw/zinc/71/75/65/571717565.db2.gz SRQGWXFCMFSXEF-SNVBAGLBSA-N 1 3 198.310 0.715 10 0 ACAEHO N[C@@H]1CCC[N@H+](CCC2(O)CC2)CC1 214119823 571717568 /nfs/dbraw/zinc/71/75/68/571717568.db2.gz SRQGWXFCMFSXEF-SNVBAGLBSA-N 1 3 198.310 0.715 10 0 ACAEHO N[C@@H]1CCC[N@@H+](CCC2(O)CC2)CC1 214119823 571717570 /nfs/dbraw/zinc/71/75/70/571717570.db2.gz SRQGWXFCMFSXEF-SNVBAGLBSA-N 1 3 198.310 0.715 10 0 ACAEHO OC1(C[NH2+]C[C@@H]2CCCCCN2)CC1 214118302 571717607 /nfs/dbraw/zinc/71/76/07/571717607.db2.gz NZKYTHSPAPFCIT-JTQLQIEISA-N 1 3 198.310 0.633 10 0 ACAEHO [NH3+]C[C@@H]1CCCCCN1CC1(O)CC1 214117398 571717622 /nfs/dbraw/zinc/71/76/22/571717622.db2.gz HUFGNUJFTDVFQN-JTQLQIEISA-N 1 3 198.310 0.715 10 0 ACAEHO COCCN[C@]1(C[NH3+])CC[C@@H](C)C1 70644510 571717635 /nfs/dbraw/zinc/71/76/35/571717635.db2.gz OJFZUFWTJVSNBF-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO NCCC[NH2+]CCc1ccc(O)cc1 135297125 571717688 /nfs/dbraw/zinc/71/76/88/571717688.db2.gz LDQQOHSKBGTNQW-UHFFFAOYSA-N 1 3 194.278 0.873 10 0 ACAEHO [NH3+]CCCNCCc1ccc(O)cc1 135297125 571717691 /nfs/dbraw/zinc/71/76/91/571717691.db2.gz LDQQOHSKBGTNQW-UHFFFAOYSA-N 1 3 194.278 0.873 10 0 ACAEHO OC1(CC[NH2+][C@H]2CCCCNC2)CC1 214118591 571717769 /nfs/dbraw/zinc/71/77/69/571717769.db2.gz IFDDZLSQYQIZNE-JTQLQIEISA-N 1 3 198.310 0.633 10 0 ACAEHO COCCN[C@]1(C[NH3+])CC[C@H](C)C1 70644511 571717865 /nfs/dbraw/zinc/71/78/65/571717865.db2.gz OJFZUFWTJVSNBF-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO OC1(CC[NH2+]C[C@@H]2CCCNC2)CC1 214118947 571718075 /nfs/dbraw/zinc/71/80/75/571718075.db2.gz FGQIEYMRIQMNRW-SNVBAGLBSA-N 1 3 198.310 0.491 10 0 ACAEHO OC1(CCNC[C@@H]2CCC[NH2+]C2)CC1 214118947 571718077 /nfs/dbraw/zinc/71/80/77/571718077.db2.gz FGQIEYMRIQMNRW-SNVBAGLBSA-N 1 3 198.310 0.491 10 0 ACAEHO NC[C@H]1CCCC[N@H+](CC2(O)CC2)C1 214117266 571718114 /nfs/dbraw/zinc/71/81/14/571718114.db2.gz LDKUWTPQWYLDMV-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@H]1CCCC[N@@H+](CC2(O)CC2)C1 214117266 571718116 /nfs/dbraw/zinc/71/81/16/571718116.db2.gz LDKUWTPQWYLDMV-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO CCN[C@@H](CO)CC[N@H+](C)C(C)C 84845327 571718156 /nfs/dbraw/zinc/71/81/56/571718156.db2.gz HBQVMKRSQIDMTL-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CCN[C@@H](CO)CC[N@@H+](C)C(C)C 84845327 571718158 /nfs/dbraw/zinc/71/81/58/571718158.db2.gz HBQVMKRSQIDMTL-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO C[NH2+][C@@H]1CCCN(CC2(O)CC2)CC1 214117612 571718170 /nfs/dbraw/zinc/71/81/70/571718170.db2.gz MIEMWXNAANIEOE-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO C[NH2+]C[C@H]1CCN(CC[C@H](C)O)C1 134120518 571718205 /nfs/dbraw/zinc/71/82/05/571718205.db2.gz HYXHOXPTHJODJL-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO OC1(CCN[C@@H]2CCC[NH2+]CC2)CC1 214118808 571718222 /nfs/dbraw/zinc/71/82/22/571718222.db2.gz HZGUGVVOECEBCY-SNVBAGLBSA-N 1 3 198.310 0.633 10 0 ACAEHO OC1(CC[NH2+][C@@H]2CCCNCC2)CC1 214118808 571718224 /nfs/dbraw/zinc/71/82/24/571718224.db2.gz HZGUGVVOECEBCY-SNVBAGLBSA-N 1 3 198.310 0.633 10 0 ACAEHO CN1CC[C@H](N(C)CCC2([NH3+])CC2)C1 398077905 571718228 /nfs/dbraw/zinc/71/82/28/571718228.db2.gz MHBKXWLFYXQDPA-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H](O)CCN1CC[C@H](C[NH3+])C1 134116713 571718311 /nfs/dbraw/zinc/71/83/11/571718311.db2.gz FKUKNJHIMWFOCK-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CCN[C@H](CO)CC[N@H+](C)CC 84845505 571718314 /nfs/dbraw/zinc/71/83/14/571718314.db2.gz YWDKUXCJCLWBFP-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO C[C@@H](O)CC[N@@H+]1CC[C@H](CN)C1 134116713 571718315 /nfs/dbraw/zinc/71/83/15/571718315.db2.gz FKUKNJHIMWFOCK-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CCN[C@H](CO)CC[N@@H+](C)CC 84845505 571718317 /nfs/dbraw/zinc/71/83/17/571718317.db2.gz YWDKUXCJCLWBFP-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO C[C@@H](O)CC[N@H+]1CC[C@H](CN)C1 134116713 571718318 /nfs/dbraw/zinc/71/83/18/571718318.db2.gz FKUKNJHIMWFOCK-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])Cc1cccnc1 11736658 571718491 /nfs/dbraw/zinc/71/84/91/571718491.db2.gz QVPLRFYLJYOBJZ-LLVKDONJSA-N 1 3 193.294 0.761 10 0 ACAEHO CN(CC1(O)CC1)[C@@H]1CCC[NH2+]CC1 214116682 571718579 /nfs/dbraw/zinc/71/85/79/571718579.db2.gz PHSLSXWQYDSSGT-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO [NH3+][C@H]1CCCN(CCC2(O)CC2)CC1 214119760 571718772 /nfs/dbraw/zinc/71/87/72/571718772.db2.gz SRQGWXFCMFSXEF-JTQLQIEISA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+]C[C@@H]1CCCN(CCC2(O)CC2)C1 214119161 571718684 /nfs/dbraw/zinc/71/86/84/571718684.db2.gz QUERCWSULFFTRR-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@H]1CCC[N@H+](CCC2(O)CC2)C1 214119161 571718689 /nfs/dbraw/zinc/71/86/89/571718689.db2.gz QUERCWSULFFTRR-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@H]1CCC[N@@H+](CCC2(O)CC2)C1 214119161 571718691 /nfs/dbraw/zinc/71/86/91/571718691.db2.gz QUERCWSULFFTRR-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO N[C@H]1CCC[N@H+](CCC2(O)CC2)CC1 214119760 571718774 /nfs/dbraw/zinc/71/87/74/571718774.db2.gz SRQGWXFCMFSXEF-JTQLQIEISA-N 1 3 198.310 0.715 10 0 ACAEHO N[C@H]1CCC[N@@H+](CCC2(O)CC2)CC1 214119760 571718778 /nfs/dbraw/zinc/71/87/78/571718778.db2.gz SRQGWXFCMFSXEF-JTQLQIEISA-N 1 3 198.310 0.715 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])Cc1ccncc1 11736660 571718798 /nfs/dbraw/zinc/71/87/98/571718798.db2.gz REIYXKYVAVHAIT-LLVKDONJSA-N 1 3 193.294 0.761 10 0 ACAEHO CN(C)C[C@H](C[NH3+])Cc1ccncc1 11736661 571718807 /nfs/dbraw/zinc/71/88/07/571718807.db2.gz REIYXKYVAVHAIT-NSHDSACASA-N 1 3 193.294 0.761 10 0 ACAEHO CN(C)C[C@H](C[NH3+])Cc1ccccn1 11736657 571718817 /nfs/dbraw/zinc/71/88/17/571718817.db2.gz HEIHPOLFSOSADR-JTQLQIEISA-N 1 3 193.294 0.761 10 0 ACAEHO COCCN[C@@]1(C[NH3+])CC[C@@H](C)C1 70644512 571719160 /nfs/dbraw/zinc/71/91/60/571719160.db2.gz OJFZUFWTJVSNBF-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CCN(CC)[C@@]1(C[NH3+])CCCN(C)C1 134295337 571719163 /nfs/dbraw/zinc/71/91/63/571719163.db2.gz PRYVGUKTKXEVRX-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CN(C)C[C@H](C[NH3+])Cc1ccco1 11799933 571719292 /nfs/dbraw/zinc/71/92/92/571719292.db2.gz KLAXLUWGJHMLDB-VIFPVBQESA-N 1 3 182.267 0.959 10 0 ACAEHO COCCN[C@@]1(C[NH3+])CC[C@H](C)C1 70644513 571719312 /nfs/dbraw/zinc/71/93/12/571719312.db2.gz OJFZUFWTJVSNBF-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](O)CCN1CC[C@H](C[NH3+])C1 134116523 571719367 /nfs/dbraw/zinc/71/93/67/571719367.db2.gz FKUKNJHIMWFOCK-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CC[C@H](CN)C1 134116523 571719368 /nfs/dbraw/zinc/71/93/68/571719368.db2.gz FKUKNJHIMWFOCK-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](O)CC[N@H+]1CC[C@H](CN)C1 134116523 571719371 /nfs/dbraw/zinc/71/93/71/571719371.db2.gz FKUKNJHIMWFOCK-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO CCN(CC)[C@]1(C[NH3+])CCCN(C)C1 134295317 571719447 /nfs/dbraw/zinc/71/94/47/571719447.db2.gz PRYVGUKTKXEVRX-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO C[NH2+]C[C@H]1CCN(CC[C@@H](C)O)C1 134120726 571719498 /nfs/dbraw/zinc/71/94/98/571719498.db2.gz HYXHOXPTHJODJL-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CN1CCC[C@@H](NCCC[NH3+])C1 134270936 571719644 /nfs/dbraw/zinc/71/96/44/571719644.db2.gz ZKGAHFRFUXNQMS-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO OC[C@]1([NH+]2CCCC2)CCCNCC1 214121357 571719701 /nfs/dbraw/zinc/71/97/01/571719701.db2.gz RYPKBGCGBCOCSF-NSHDSACASA-N 1 3 198.310 0.587 10 0 ACAEHO CO[C@@]1(CN2CCCC2)CCC[NH2+]C1 214121813 571719797 /nfs/dbraw/zinc/71/97/97/571719797.db2.gz UCNOQRQCXPEJKF-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO OC[C@@]1([NH+]2CCCCC2)CCCNC1 214121435 571719836 /nfs/dbraw/zinc/71/98/36/571719836.db2.gz AKGZBTNTGADEFC-LLVKDONJSA-N 1 3 198.310 0.587 10 0 ACAEHO OC[C@]1([NH+]2CCCCC2)CCCNC1 214121489 571720114 /nfs/dbraw/zinc/72/01/14/571720114.db2.gz AKGZBTNTGADEFC-NSHDSACASA-N 1 3 198.310 0.587 10 0 ACAEHO CO[C@]1(CN2CCCC2)CCC[NH2+]C1 214121760 571720214 /nfs/dbraw/zinc/72/02/14/571720214.db2.gz UCNOQRQCXPEJKF-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])Cc1ccco1 11799931 571720352 /nfs/dbraw/zinc/72/03/52/571720352.db2.gz KLAXLUWGJHMLDB-SECBINFHSA-N 1 3 182.267 0.959 10 0 ACAEHO CCn1ccnc1NC[C@@H]([NH3+])[C@@H](C)O 70648270 571720764 /nfs/dbraw/zinc/72/07/64/571720764.db2.gz LGKFMNVLWIPMAU-HTQZYQBOSA-N 1 3 198.270 0.023 10 0 ACAEHO C1C[C@@H](CNC[C@@]23COC[C@@H]2C3)C[NH2+]1 689319595 571720901 /nfs/dbraw/zinc/72/09/01/571720901.db2.gz XRWIRZXIAMAYQK-VWYCJHECSA-N 1 3 196.294 0.222 10 0 ACAEHO CCn1ccnc1NC[C@@H]([NH3+])[C@H](C)O 70648272 571721078 /nfs/dbraw/zinc/72/10/78/571721078.db2.gz LGKFMNVLWIPMAU-JGVFFNPUSA-N 1 3 198.270 0.023 10 0 ACAEHO C[C@H](CC[NH3+])CCN1CC(N(C)C)C1 393393834 571721099 /nfs/dbraw/zinc/72/10/99/571721099.db2.gz SGPFBYZKIHZAAM-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO C1C[C@@H](CNC[C@]23COC[C@H]2C3)C[NH2+]1 689319584 571721305 /nfs/dbraw/zinc/72/13/05/571721305.db2.gz XRWIRZXIAMAYQK-GMTAPVOTSA-N 1 3 196.294 0.222 10 0 ACAEHO CCN(CCC1([NH3+])CC1)[C@H]1CCOC1 398100538 571721483 /nfs/dbraw/zinc/72/14/83/571721483.db2.gz WWCJQLDZKIOPKE-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CCn1ccnc1NC[C@H]([NH3+])[C@H](C)O 70648271 571721561 /nfs/dbraw/zinc/72/15/61/571721561.db2.gz LGKFMNVLWIPMAU-YUMQZZPRSA-N 1 3 198.270 0.023 10 0 ACAEHO CC[C@@H](CNCCC1([NH3+])CC1)OC 398088645 571721621 /nfs/dbraw/zinc/72/16/21/571721621.db2.gz WMISMIDAMHAYGJ-VIFPVBQESA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H](CC[NH3+])CCN1CC(N(C)C)C1 393393831 571721637 /nfs/dbraw/zinc/72/16/37/571721637.db2.gz SGPFBYZKIHZAAM-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO CCn1ccnc1NC[C@H]([NH3+])[C@@H](C)O 70648269 571721690 /nfs/dbraw/zinc/72/16/90/571721690.db2.gz LGKFMNVLWIPMAU-SFYZADRCSA-N 1 3 198.270 0.023 10 0 ACAEHO C[C@@H](NCCN(C)C)[C@H]1CC[NH2+]C1 400321736 571723118 /nfs/dbraw/zinc/72/31/18/571723118.db2.gz CAVWFTZXBWHDAI-ZJUUUORDSA-N 1 3 185.315 0.136 10 0 ACAEHO CCN1CC[C@](C[NH3+])(NC2CC2)C1 393399604 571725175 /nfs/dbraw/zinc/72/51/75/571725175.db2.gz WJMYRCLRRCBPLM-SNVBAGLBSA-N 1 3 183.299 0.162 10 0 ACAEHO CN1CCC(CN)([NH2+]C(C)(C)C)CC1 214189395 571725357 /nfs/dbraw/zinc/72/53/57/571725357.db2.gz YRURXZGXQFTLJR-UHFFFAOYSA-N 1 3 199.342 0.798 10 0 ACAEHO FC(F)OCCC[NH2+]C[C@@H]1CCN1 398112869 571725530 /nfs/dbraw/zinc/72/55/30/571725530.db2.gz BVQQYDKCESZPLS-ZETCQYMHSA-N 1 3 194.225 0.567 10 0 ACAEHO C[NH+](C)[C@H](CCN)C1CC1 23810719 571725579 /nfs/dbraw/zinc/72/55/79/571725579.db2.gz CSQADVYWRZPXIO-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)[C@H](CC[NH3+])C1CC1 23810719 571725580 /nfs/dbraw/zinc/72/55/80/571725580.db2.gz CSQADVYWRZPXIO-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CCN1CC[C@@](C[NH3+])(NC2CC2)C1 393399602 571725699 /nfs/dbraw/zinc/72/56/99/571725699.db2.gz WJMYRCLRRCBPLM-JTQLQIEISA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]Cc1c(C2CC2)[nH]c2c1CNC2 214164170 571725761 /nfs/dbraw/zinc/72/57/61/571725761.db2.gz QFTXVUNVGLXVHT-UHFFFAOYSA-N 1 3 177.251 0.954 10 0 ACAEHO CC[C@H](COC)N1CCC([NH3+])CC1 70657133 571725937 /nfs/dbraw/zinc/72/59/37/571725937.db2.gz XQIHULZXTRQLSN-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](COC)N1CCC([NH3+])CC1 70657132 571726020 /nfs/dbraw/zinc/72/60/20/571726020.db2.gz XQIHULZXTRQLSN-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO C1CC[C@H](CSC2=NCCN2)[NH2+]C1 214188441 571729937 /nfs/dbraw/zinc/72/99/37/571729937.db2.gz QJYDWULAPZCJBQ-MRVPVSSYSA-N 1 3 199.323 0.821 10 0 ACAEHO CN1CCN=C1SC1CC[NH2+]CC1 214188015 571730064 /nfs/dbraw/zinc/73/00/64/571730064.db2.gz NJJMHRVEEVCWRC-UHFFFAOYSA-N 1 3 199.323 0.773 10 0 ACAEHO CN1CCN=C1SC[C@H]1CC[NH2+]C1 214188294 571730270 /nfs/dbraw/zinc/73/02/70/571730270.db2.gz MZCMZOUSTQUIIO-QMMMGPOBSA-N 1 3 199.323 0.631 10 0 ACAEHO C1C[NH2+]C[C@@H](CSC2=NCCN2)C1 214188523 571730274 /nfs/dbraw/zinc/73/02/74/571730274.db2.gz CSGCSNGBSUQDAI-QMMMGPOBSA-N 1 3 199.323 0.678 10 0 ACAEHO CN1CCN=C1SC[C@H]1CCC[NH2+]1 214188154 571730352 /nfs/dbraw/zinc/73/03/52/571730352.db2.gz IKEHBNCMQSXCIK-MRVPVSSYSA-N 1 3 199.323 0.773 10 0 ACAEHO C1CC[C@@H](CSC2=NCCN2)[NH2+]C1 214188384 571730419 /nfs/dbraw/zinc/73/04/19/571730419.db2.gz QJYDWULAPZCJBQ-QMMMGPOBSA-N 1 3 199.323 0.821 10 0 ACAEHO CN1CCN=C1SC[C@@H]1CC[NH2+]C1 214188237 571731589 /nfs/dbraw/zinc/73/15/89/571731589.db2.gz MZCMZOUSTQUIIO-MRVPVSSYSA-N 1 3 199.323 0.631 10 0 ACAEHO CN1CCN=C1SC[C@@H]1CCC[NH2+]1 214188101 571731698 /nfs/dbraw/zinc/73/16/98/571731698.db2.gz IKEHBNCMQSXCIK-QMMMGPOBSA-N 1 3 199.323 0.773 10 0 ACAEHO C1C[NH2+]C[C@H](CSC2=NCCN2)C1 214188582 571731824 /nfs/dbraw/zinc/73/18/24/571731824.db2.gz CSGCSNGBSUQDAI-MRVPVSSYSA-N 1 3 199.323 0.678 10 0 ACAEHO CC(C)([NH3+])COCCN1CCCC1 70837704 571732475 /nfs/dbraw/zinc/73/24/75/571732475.db2.gz CGYWYEJHAUROGR-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO COCCN(CCC[NH3+])CC1CC1 70844016 571733127 /nfs/dbraw/zinc/73/31/27/571733127.db2.gz WXCJXYPDJGUMHE-UHFFFAOYSA-N 1 3 186.299 0.694 10 0 ACAEHO CN(C)CCOCC1([NH3+])CCCC1 70875990 571733585 /nfs/dbraw/zinc/73/35/85/571733585.db2.gz CHCHLXYHBZNEQB-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO O[C@@H](CNC1CC[NH2+]CC1)C1CC1 70882915 571735253 /nfs/dbraw/zinc/73/52/53/571735253.db2.gz RWRREDWFATVPBQ-JTQLQIEISA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@@H](C[NH2+]C1CCNCC1)C1CC1 70882915 571735250 /nfs/dbraw/zinc/73/52/50/571735250.db2.gz RWRREDWFATVPBQ-JTQLQIEISA-N 1 3 184.283 0.099 10 0 ACAEHO CC12CNCC(C)(C[NH2+]C1)C2 24541318 571735288 /nfs/dbraw/zinc/73/52/88/571735288.db2.gz WKSKIOTWHBISQM-UHFFFAOYSA-N 1 3 154.257 0.596 10 0 ACAEHO C1C[C@@H]2CC[NH2+][C@@H]2CCN1 24513552 571735535 /nfs/dbraw/zinc/73/55/35/571735535.db2.gz WKOVYECNOMMBSK-HTQZYQBOSA-N 1 3 140.230 0.348 10 0 ACAEHO O[C@H](C[NH2+]C1CCNCC1)C1CC1 70882908 571735752 /nfs/dbraw/zinc/73/57/52/571735752.db2.gz RWRREDWFATVPBQ-SNVBAGLBSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@H](CNC1CC[NH2+]CC1)C1CC1 70882908 571735757 /nfs/dbraw/zinc/73/57/57/571735757.db2.gz RWRREDWFATVPBQ-SNVBAGLBSA-N 1 3 184.283 0.099 10 0 ACAEHO CC[C@](C)([NH3+])COCCN(C)C 70879218 571735895 /nfs/dbraw/zinc/73/58/95/571735895.db2.gz GWPXMMPDGVZPGA-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO C1C[C@H]2CC[NH2+][C@H]2CCN1 24513560 571736512 /nfs/dbraw/zinc/73/65/12/571736512.db2.gz WKOVYECNOMMBSK-YUMQZZPRSA-N 1 3 140.230 0.348 10 0 ACAEHO C1C[C@@H]2[NH2+]CC[C@H]2CCN1 24513557 571736920 /nfs/dbraw/zinc/73/69/20/571736920.db2.gz WKOVYECNOMMBSK-SFYZADRCSA-N 1 3 140.230 0.348 10 0 ACAEHO CC[C@@](C)([NH3+])COCCN(C)C 70879223 571737031 /nfs/dbraw/zinc/73/70/31/571737031.db2.gz GWPXMMPDGVZPGA-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO C1C[C@H]2CC[NH2+][C@@H]2CCN1 24513554 571737147 /nfs/dbraw/zinc/73/71/47/571737147.db2.gz WKOVYECNOMMBSK-JGVFFNPUSA-N 1 3 140.230 0.348 10 0 ACAEHO CCC[NH+]1CCC(CO)(NC)CC1 38120981 571737366 /nfs/dbraw/zinc/73/73/66/571737366.db2.gz HHMAXSRWVSHQQU-UHFFFAOYSA-N 1 3 186.299 0.443 10 0 ACAEHO C[N@H+]1CCc2cc(CN)[nH]c2CC1 214223300 571737439 /nfs/dbraw/zinc/73/74/39/571737439.db2.gz RROORQBQTGUOIY-UHFFFAOYSA-N 1 3 179.267 0.504 10 0 ACAEHO C[N@@H+]1CCc2cc(CN)[nH]c2CC1 214223300 571737441 /nfs/dbraw/zinc/73/74/41/571737441.db2.gz RROORQBQTGUOIY-UHFFFAOYSA-N 1 3 179.267 0.504 10 0 ACAEHO C1CC[NH+](CCC[C@H]2COCCN2)C1 214262950 571739895 /nfs/dbraw/zinc/73/98/95/571739895.db2.gz ZOWUKPURQQDRFP-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO C1CC[NH+](CCC[C@@H]2COCCN2)C1 214262889 571738542 /nfs/dbraw/zinc/73/85/42/571738542.db2.gz ZOWUKPURQQDRFP-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO CCN(CCN(C)C)[C@@H]1CC[NH2+]C1 70899978 571739574 /nfs/dbraw/zinc/73/95/74/571739574.db2.gz FBYQLCYOJPQFQJ-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO CC(C)[C@H](N)c1cn(CCC[NH3+])nn1 301001904 571739623 /nfs/dbraw/zinc/73/96/23/571739623.db2.gz XGKSINVZXZTTPS-VIFPVBQESA-N 1 3 197.286 0.283 10 0 ACAEHO CC(C)[C@@H](N)c1cn(CCC[NH3+])nn1 301001903 571740545 /nfs/dbraw/zinc/74/05/45/571740545.db2.gz XGKSINVZXZTTPS-SECBINFHSA-N 1 3 197.286 0.283 10 0 ACAEHO C[C@H]([NH3+])c1cncn1C[C@H]1CCN1C 712322467 571741464 /nfs/dbraw/zinc/74/14/64/571741464.db2.gz BVKJYLWGQOAKDS-DTWKUNHWSA-N 1 3 194.282 0.607 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@]1(C)CCCO1 220494698 571741508 /nfs/dbraw/zinc/74/15/08/571741508.db2.gz ATYXGGUYDINHNQ-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]([NH3+])c1cncn1C[C@@H]1CCN1C 712322471 571742639 /nfs/dbraw/zinc/74/26/39/571742639.db2.gz BVKJYLWGQOAKDS-IUCAKERBSA-N 1 3 194.282 0.607 10 0 ACAEHO C[C@@H]([NH3+])c1cncn1C[C@H]1CCN1C 712322476 571743001 /nfs/dbraw/zinc/74/30/01/571743001.db2.gz BVKJYLWGQOAKDS-RKDXNWHRSA-N 1 3 194.282 0.607 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)CN1CCOCC1 140723510 571743267 /nfs/dbraw/zinc/74/32/67/571743267.db2.gz USHMJVAMFYXTOQ-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCCN1C[C@H](C)N(C)C[C@H]1CC[NH3+] 250075578 571743784 /nfs/dbraw/zinc/74/37/84/571743784.db2.gz ZSLWHWPXJWIYLV-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN1C[C@@H](C)N(C)C[C@H]1CC[NH3+] 250075576 571744025 /nfs/dbraw/zinc/74/40/25/571744025.db2.gz ZSLWHWPXJWIYLV-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CO[C@@H](C)CN[C@H](C)CC[NH3+] 220504766 571747027 /nfs/dbraw/zinc/74/70/27/571747027.db2.gz VADKHSRBPIMMBT-SFYZADRCSA-N 1 3 160.261 0.348 10 0 ACAEHO CO[C@@H](C)C[NH2+][C@H](C)CCN 220504766 571747030 /nfs/dbraw/zinc/74/70/30/571747030.db2.gz VADKHSRBPIMMBT-SFYZADRCSA-N 1 3 160.261 0.348 10 0 ACAEHO C[C@@H](N)C[NH2+]CCOC(F)F 398199403 571748214 /nfs/dbraw/zinc/74/82/14/571748214.db2.gz BCZYTMZYSBPTOH-RXMQYKEDSA-N 1 3 168.187 0.162 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@H]1CCO[C@@H]1C 220514696 571748145 /nfs/dbraw/zinc/74/81/45/571748145.db2.gz RSJCKEGGKGGRFJ-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO CC[C@H](O)[C@@H](C)NCC(C)(C)[NH3+] 386687666 571749290 /nfs/dbraw/zinc/74/92/90/571749290.db2.gz JQFVMSAALCSIEH-SFYZADRCSA-N 1 3 174.288 0.473 10 0 ACAEHO CN1CCC[C@H]1[C@@H](C[NH3+])N1CCC1 214358080 571750344 /nfs/dbraw/zinc/75/03/44/571750344.db2.gz GRCXYZUZLSYGJK-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CCN([C@H]1CCN(C)C1)[C@H](C)C[NH3+] 250084676 571750990 /nfs/dbraw/zinc/75/09/90/571750990.db2.gz VKVHGVWJVPPYRY-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN([C@H](C)C[NH3+])[C@@H]1CCN(C)C1 250084673 571751543 /nfs/dbraw/zinc/75/15/43/571751543.db2.gz VKVHGVWJVPPYRY-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@@H]1CCCOC1 220543753 571751664 /nfs/dbraw/zinc/75/16/64/571751664.db2.gz ANAZDJIBODEVEP-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO [NH3+]C[C@@H]([C@H]1CCCCN1)N1CCC1 214357303 571751759 /nfs/dbraw/zinc/75/17/59/571751759.db2.gz BGFDSXQKRYOVAZ-ZJUUUORDSA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]C[C@H]([C@@H]1CCCCN1)N1CCC1 214357128 571753092 /nfs/dbraw/zinc/75/30/92/571753092.db2.gz BGFDSXQKRYOVAZ-VHSXEESVSA-N 1 3 183.299 0.162 10 0 ACAEHO CC[C@H](N)C[NH2+]CCOC(F)F 398219310 571751829 /nfs/dbraw/zinc/75/18/29/571751829.db2.gz NAFBIASRZMQAMC-LURJTMIESA-N 1 3 182.214 0.553 10 0 ACAEHO C[C@H](CC[NH3+])NCc1cnc[nH]1 220541362 571751917 /nfs/dbraw/zinc/75/19/17/571751917.db2.gz OLQKVPCMNHZXFX-SSDOTTSWSA-N 1 3 168.244 0.237 10 0 ACAEHO CC[C@@H](O)[C@H](C)NCC(C)(C)[NH3+] 386687665 571752375 /nfs/dbraw/zinc/75/23/75/571752375.db2.gz JQFVMSAALCSIEH-JGVFFNPUSA-N 1 3 174.288 0.473 10 0 ACAEHO C[C@H](CC[NH3+])NC[C@H]1CC[C@@H](C)O1 220545743 571752749 /nfs/dbraw/zinc/75/27/49/571752749.db2.gz AFFIYNVHIONGHG-OPRDCNLKSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@H]1CC[C@@H](C)O1 220545743 571752751 /nfs/dbraw/zinc/75/27/51/571752751.db2.gz AFFIYNVHIONGHG-OPRDCNLKSA-N 1 3 186.299 0.881 10 0 ACAEHO [NH3+]C[C@@H]([C@@H]1CCCCN1)N1CCC1 214357246 571752918 /nfs/dbraw/zinc/75/29/18/571752918.db2.gz BGFDSXQKRYOVAZ-UWVGGRQHSA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]C[C@H]([C@H]1CCCCN1)N1CCC1 214357186 571753005 /nfs/dbraw/zinc/75/30/05/571753005.db2.gz BGFDSXQKRYOVAZ-NXEZZACHSA-N 1 3 183.299 0.162 10 0 ACAEHO CCN([C@H](C)C[NH3+])[C@@H]1CCCN(C)C1 250093028 571753469 /nfs/dbraw/zinc/75/34/69/571753469.db2.gz XHBVLBYTHKAABI-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN([C@H]1CCCN(C)C1)[C@H](C)C[NH3+] 250093408 571753485 /nfs/dbraw/zinc/75/34/85/571753485.db2.gz XHBVLBYTHKAABI-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CCCC[C@H]1[C@@H](C[NH3+])N(C)C 214426733 571754602 /nfs/dbraw/zinc/75/46/02/571754602.db2.gz ZTZJQQXDMNYXSH-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)C[C@@H]1CN(C)CC[C@H]1[NH3+] 250095872 571753746 /nfs/dbraw/zinc/75/37/46/571753746.db2.gz XSVQKPHKSMFWSN-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1C[C@H]1CNC1(C[NH3+])CC1 235302884 571755183 /nfs/dbraw/zinc/75/51/83/571755183.db2.gz UYFXIFMSUVLWLK-SFYZADRCSA-N 1 3 154.257 0.723 10 0 ACAEHO CN(C)[C@H](C[NH3+])[C@H]1CCCCN1C 214426671 571755590 /nfs/dbraw/zinc/75/55/90/571755590.db2.gz ZTZJQQXDMNYXSH-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCC[C@@H]2O)C1 70800048 571755632 /nfs/dbraw/zinc/75/56/32/571755632.db2.gz NSCZCGZJAUXZCB-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO CCN(C)C[C@H]1CN(C)CC[C@H]1[NH3+] 250095874 571755812 /nfs/dbraw/zinc/75/58/12/571755812.db2.gz XSVQKPHKSMFWSN-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[C@@H](O)CN1CC[C@H](C[NH2+]C)C1 70800066 571755857 /nfs/dbraw/zinc/75/58/57/571755857.db2.gz JNZOQCDNTMYKBS-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@H]1CCN(CCCCO)C1 70800195 571755950 /nfs/dbraw/zinc/75/59/50/571755950.db2.gz KQMNUXISLSJAKH-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO C/C=C/CN(C)CCN1CC[NH2+]CC1 70800515 571756637 /nfs/dbraw/zinc/75/66/37/571756637.db2.gz UAOHNGMHOOMJIH-ONEGZZNKSA-N 1 3 197.326 0.400 10 0 ACAEHO CN1CCCN([C@@H]2CCC[NH2+]C2)CC1 37246876 571757310 /nfs/dbraw/zinc/75/73/10/571757310.db2.gz HIWAHGLYLHRVBG-LLVKDONJSA-N 1 3 197.326 0.376 10 0 ACAEHO CC[C@H]([NH3+])CCN[C@]1(C)CCOC1 229475545 571758344 /nfs/dbraw/zinc/75/83/44/571758344.db2.gz PEEFSXGYOUVEHU-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CCNC(=[NH2+])N(C)C[C@@H]1CCN(C)C1 70823192 571758611 /nfs/dbraw/zinc/75/86/11/571758611.db2.gz DDTLTGPQNKZGGN-SECBINFHSA-N 1 3 198.314 0.414 10 0 ACAEHO CN(CCCO)C[C@H]1CC[N@H+](C)C1 70822809 571759906 /nfs/dbraw/zinc/75/99/06/571759906.db2.gz PIZKWGSDDPYUQZ-SNVBAGLBSA-N 1 3 186.299 0.252 10 0 ACAEHO CN(CCCO)C[C@H]1CC[N@@H+](C)C1 70822809 571759908 /nfs/dbraw/zinc/75/99/08/571759908.db2.gz PIZKWGSDDPYUQZ-SNVBAGLBSA-N 1 3 186.299 0.252 10 0 ACAEHO C[C@@]1([NH2+]CC2(CN)CCC2)CCOC1 229475443 571759933 /nfs/dbraw/zinc/75/99/33/571759933.db2.gz VHMGQLPWGKYYNJ-SNVBAGLBSA-N 1 3 198.310 0.884 10 0 ACAEHO CCNC(=[NH2+])N(C)C[C@H]1CCN(C)C1 70823193 571760091 /nfs/dbraw/zinc/76/00/91/571760091.db2.gz DDTLTGPQNKZGGN-VIFPVBQESA-N 1 3 198.314 0.414 10 0 ACAEHO CN(CCCO)C[C@@H]1CC[N@H+](C)C1 70822813 571760802 /nfs/dbraw/zinc/76/08/02/571760802.db2.gz PIZKWGSDDPYUQZ-JTQLQIEISA-N 1 3 186.299 0.252 10 0 ACAEHO CN(CCCO)C[C@@H]1CC[N@@H+](C)C1 70822813 571760809 /nfs/dbraw/zinc/76/08/09/571760809.db2.gz PIZKWGSDDPYUQZ-JTQLQIEISA-N 1 3 186.299 0.252 10 0 ACAEHO CCN(C)CC(C)(C)C(N)=[NH2+] 17533331 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/nfs/dbraw/zinc/77/80/57/571778057.db2.gz BNGKSTBYSPMVHH-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO C[NH2+]CCCNC[C@@H](C)n1cccn1 234353527 571778443 /nfs/dbraw/zinc/77/84/43/571778443.db2.gz PYSKYALIXYMCLA-SNVBAGLBSA-N 1 3 196.298 0.643 10 0 ACAEHO CNCCC[NH2+]C[C@@H](C)n1cccn1 234353527 571778447 /nfs/dbraw/zinc/77/84/47/571778447.db2.gz PYSKYALIXYMCLA-SNVBAGLBSA-N 1 3 196.298 0.643 10 0 ACAEHO CCSCCNCCC[NH3+] 27211427 571779154 /nfs/dbraw/zinc/77/91/54/571779154.db2.gz VXZGZOQFPQMBPN-UHFFFAOYSA-N 1 3 162.302 0.678 10 0 ACAEHO CCSCC[NH2+]CCCN 27211427 571779155 /nfs/dbraw/zinc/77/91/55/571779155.db2.gz VXZGZOQFPQMBPN-UHFFFAOYSA-N 1 3 162.302 0.678 10 0 ACAEHO CCCN[C@]1(CO)CC[NH2+]C[C@H]1C 229565009 571779568 /nfs/dbraw/zinc/77/95/68/571779568.db2.gz KTMKEVKZAGOHBK-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO C[NH2+]CCCNC[C@H](C)n1cncn1 234353741 571780098 /nfs/dbraw/zinc/78/00/98/571780098.db2.gz DKEFVSMFOZSFHU-VIFPVBQESA-N 1 3 197.286 0.038 10 0 ACAEHO C[C@@H]1O[C@H](C)[C@H](NCC2C[NH2+]C2)[C@@H]1C 710847578 571780153 /nfs/dbraw/zinc/78/01/53/571780153.db2.gz ZFDRGNZKXYWWNO-PKIKSRDPSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@@H]1O[C@H](C)[C@H]([NH2+]CC2CNC2)[C@@H]1C 710847578 571780156 /nfs/dbraw/zinc/78/01/56/571780156.db2.gz ZFDRGNZKXYWWNO-PKIKSRDPSA-N 1 3 198.310 0.607 10 0 ACAEHO C[NH2+]CCCNC[C@H](C)n1cccn1 234353730 571781531 /nfs/dbraw/zinc/78/15/31/571781531.db2.gz PYSKYALIXYMCLA-JTQLQIEISA-N 1 3 196.298 0.643 10 0 ACAEHO CNCCC[NH2+]C[C@H](C)n1cccn1 234353730 571781533 /nfs/dbraw/zinc/78/15/33/571781533.db2.gz PYSKYALIXYMCLA-JTQLQIEISA-N 1 3 196.298 0.643 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCCN(C)C[C@@H]1C 233890197 571781557 /nfs/dbraw/zinc/78/15/57/571781557.db2.gz BQHMNBCPSQVNCF-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO Cc1cn([C@@H]2CCN(C)C2)c(N)[nH+]1 234353602 571780961 /nfs/dbraw/zinc/78/09/61/571780961.db2.gz QROVNBHSTFPDDX-MRVPVSSYSA-N 1 3 180.255 0.650 10 0 ACAEHO C[NH2+]CCCN[C@@]1(C)CCCOC1 234356759 571780982 /nfs/dbraw/zinc/78/09/82/571780982.db2.gz YPEGMBYYVIOKDX-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO CNCCC[NH2+][C@@]1(C)CCCOC1 234356759 571780986 /nfs/dbraw/zinc/78/09/86/571780986.db2.gz YPEGMBYYVIOKDX-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@]1(NCCC[NH3+])CCCOC1 235705401 571781130 /nfs/dbraw/zinc/78/11/30/571781130.db2.gz SJHSWDVRXPQAOZ-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO C[C@]1([NH2+]CCCN)CCCOC1 235705401 571781131 /nfs/dbraw/zinc/78/11/31/571781131.db2.gz SJHSWDVRXPQAOZ-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO C[C@@H]1O[C@H](C)[C@H]([NH2+]CC2CNC2)[C@H]1C 710847579 571781397 /nfs/dbraw/zinc/78/13/97/571781397.db2.gz ZFDRGNZKXYWWNO-WYOJIJJFSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@@H]1O[C@H](C)[C@H](NCC2C[NH2+]C2)[C@H]1C 710847579 571781394 /nfs/dbraw/zinc/78/13/94/571781394.db2.gz ZFDRGNZKXYWWNO-WYOJIJJFSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@@H]1CN(CC2C[NH2+]C2)C[C@@]1(C)CO 710852885 571784455 /nfs/dbraw/zinc/78/44/55/571784455.db2.gz CBHBUQTTYLKMMS-KOLCDFICSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@@H]1C[N@H+](CC2CNC2)C[C@@]1(C)CO 710852885 571784456 /nfs/dbraw/zinc/78/44/56/571784456.db2.gz CBHBUQTTYLKMMS-KOLCDFICSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@@H]1C[N@@H+](CC2CNC2)C[C@@]1(C)CO 710852885 571784457 /nfs/dbraw/zinc/78/44/57/571784457.db2.gz CBHBUQTTYLKMMS-KOLCDFICSA-N 1 3 198.310 0.156 10 0 ACAEHO C[NH2+]CCCOCCN(C)C1CC1 234357556 571782424 /nfs/dbraw/zinc/78/24/24/571782424.db2.gz AGAZKYVDLZIBBI-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@H]1CN(CC2C[NH2+]C2)C[C@@]1(C)CO 710852893 571782452 /nfs/dbraw/zinc/78/24/52/571782452.db2.gz CBHBUQTTYLKMMS-ONGXEEELSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@H]1C[N@H+](CC2CNC2)C[C@@]1(C)CO 710852893 571782455 /nfs/dbraw/zinc/78/24/55/571782455.db2.gz CBHBUQTTYLKMMS-ONGXEEELSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@H]1C[N@@H+](CC2CNC2)C[C@@]1(C)CO 710852893 571782456 /nfs/dbraw/zinc/78/24/56/571782456.db2.gz CBHBUQTTYLKMMS-ONGXEEELSA-N 1 3 198.310 0.156 10 0 ACAEHO CC[C@@H](C)N1C[C@@H]2C[NH2+]C[C@H](C1)C2O 19723295 571783397 /nfs/dbraw/zinc/78/33/97/571783397.db2.gz BJTVPHQUPATMNA-NFLHVTIKSA-N 1 3 198.310 0.297 10 0 ACAEHO C[NH2+]CCCCNCc1c[nH]cn1 398304593 571782487 /nfs/dbraw/zinc/78/24/87/571782487.db2.gz TZTWRAJMRCHIHH-UHFFFAOYSA-N 1 3 182.271 0.499 10 0 ACAEHO C[NH2+]CCCN[C@@]1(C)CCO[C@@H]1C 234356775 571782650 /nfs/dbraw/zinc/78/26/50/571782650.db2.gz XXFAUSGUDZWCIS-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@@]1(C)CCO[C@@H]1C 234356775 571782654 /nfs/dbraw/zinc/78/26/54/571782654.db2.gz XXFAUSGUDZWCIS-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@]1(C)CCO[C@H]1C 234356924 571784506 /nfs/dbraw/zinc/78/45/06/571784506.db2.gz XXFAUSGUDZWCIS-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@H]1CN(CC2C[NH2+]C2)C[C@]1(C)CO 710852882 571782780 /nfs/dbraw/zinc/78/27/80/571782780.db2.gz CBHBUQTTYLKMMS-GXSJLCMTSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@H]1C[N@H+](CC2CNC2)C[C@]1(C)CO 710852882 571782782 /nfs/dbraw/zinc/78/27/82/571782782.db2.gz CBHBUQTTYLKMMS-GXSJLCMTSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@H]1C[N@@H+](CC2CNC2)C[C@]1(C)CO 710852882 571782785 /nfs/dbraw/zinc/78/27/85/571782785.db2.gz CBHBUQTTYLKMMS-GXSJLCMTSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@@H]1CN(CC2C[NH2+]C2)C[C@]1(C)CO 710852887 571782823 /nfs/dbraw/zinc/78/28/23/571782823.db2.gz CBHBUQTTYLKMMS-MWLCHTKSSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@@H]1C[N@H+](CC2CNC2)C[C@]1(C)CO 710852887 571782824 /nfs/dbraw/zinc/78/28/24/571782824.db2.gz CBHBUQTTYLKMMS-MWLCHTKSSA-N 1 3 198.310 0.156 10 0 ACAEHO C[C@@H]1C[N@@H+](CC2CNC2)C[C@]1(C)CO 710852887 571782826 /nfs/dbraw/zinc/78/28/26/571782826.db2.gz CBHBUQTTYLKMMS-MWLCHTKSSA-N 1 3 198.310 0.156 10 0 ACAEHO CC[C@H](C)N1C[C@@H]2C[NH2+]C[C@H](C1)C2O 19723296 571784706 /nfs/dbraw/zinc/78/47/06/571784706.db2.gz BJTVPHQUPATMNA-GKDVJIACSA-N 1 3 198.310 0.297 10 0 ACAEHO C[NH2+]CCCN[C@@]1(C)CCO[C@H]1C 234356784 571783617 /nfs/dbraw/zinc/78/36/17/571783617.db2.gz XXFAUSGUDZWCIS-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@@]1(C)CCO[C@H]1C 234356784 571783619 /nfs/dbraw/zinc/78/36/19/571783619.db2.gz XXFAUSGUDZWCIS-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[NH+](C)C1CCC(NC2COC2)CC1 335622523 571783686 /nfs/dbraw/zinc/78/36/86/571783686.db2.gz PVKVLZLWSKOPPE-UHFFFAOYSA-N 1 3 198.310 0.848 10 0 ACAEHO C[NH2+]CCCN[C@]1(C)CCO[C@@H]1C 234356915 571783802 /nfs/dbraw/zinc/78/38/02/571783802.db2.gz XXFAUSGUDZWCIS-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@]1(C)CCO[C@@H]1C 234356915 571783805 /nfs/dbraw/zinc/78/38/05/571783805.db2.gz XXFAUSGUDZWCIS-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[NH2+]CCCN[C@]1(C)CCCOC1 234356897 571783914 /nfs/dbraw/zinc/78/39/14/571783914.db2.gz YPEGMBYYVIOKDX-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO CNCCC[NH2+][C@]1(C)CCCOC1 234356897 571783915 /nfs/dbraw/zinc/78/39/15/571783915.db2.gz YPEGMBYYVIOKDX-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@]1(O)CCC[C@@H]1N1CC(C[NH3+])C1 712541043 571784349 /nfs/dbraw/zinc/78/43/49/571784349.db2.gz YPKUVYMEZNABDD-UWVGGRQHSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(O)CCC[C@H]1N1CC(C[NH3+])C1 712541045 571784752 /nfs/dbraw/zinc/78/47/52/571784752.db2.gz YPKUVYMEZNABDD-ZJUUUORDSA-N 1 3 184.283 0.180 10 0 ACAEHO C[NH2+]CCCN[C@]1(C)CCO[C@H]1C 234356924 571784502 /nfs/dbraw/zinc/78/45/02/571784502.db2.gz XXFAUSGUDZWCIS-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@@]1(O)CCC[C@@H]1N1CC(C[NH3+])C1 712541044 571784782 /nfs/dbraw/zinc/78/47/82/571784782.db2.gz YPKUVYMEZNABDD-VHSXEESVSA-N 1 3 184.283 0.180 10 0 ACAEHO Cc1cn(C[C@H]2CC[N@@H+](C)C2)c(N)n1 234354284 571784834 /nfs/dbraw/zinc/78/48/34/571784834.db2.gz SHUULPREQNCHFV-VIFPVBQESA-N 1 3 194.282 0.725 10 0 ACAEHO Cc1cn(C[C@H]2CC[N@H+](C)C2)c(N)n1 234354284 571784840 /nfs/dbraw/zinc/78/48/40/571784840.db2.gz SHUULPREQNCHFV-VIFPVBQESA-N 1 3 194.282 0.725 10 0 ACAEHO C[C@@H]([NH3+])C[C@H]1CCCN1CCO 687801064 571785095 /nfs/dbraw/zinc/78/50/95/571785095.db2.gz MBPMLAUDURAZNL-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]([NH3+])C[C@H]1CCCN1CCO 687801062 571785607 /nfs/dbraw/zinc/78/56/07/571785607.db2.gz MBPMLAUDURAZNL-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H]1CCCN1CCO 687801061 571785704 /nfs/dbraw/zinc/78/57/04/571785704.db2.gz MBPMLAUDURAZNL-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](NCC1C[NH2+]C1)[C@@H]1CCCO1 710856843 571785884 /nfs/dbraw/zinc/78/58/84/571785884.db2.gz FTVYQJFKRXPIFX-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]([NH2+]CC1CNC1)[C@@H]1CCCO1 710856843 571785887 /nfs/dbraw/zinc/78/58/87/571785887.db2.gz FTVYQJFKRXPIFX-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]([NH3+])C[C@@H]1CCCN1CCO 687801063 571785899 /nfs/dbraw/zinc/78/58/99/571785899.db2.gz MBPMLAUDURAZNL-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](NCC1C[NH2+]C1)[C@H]1CCCO1 710856845 571786270 /nfs/dbraw/zinc/78/62/70/571786270.db2.gz FTVYQJFKRXPIFX-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]([NH2+]CC1CNC1)[C@H]1CCCO1 710856845 571786275 /nfs/dbraw/zinc/78/62/75/571786275.db2.gz FTVYQJFKRXPIFX-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO CN(CCO)C[C@@H]1CCC[C@H]1[NH3+] 249984355 571789155 /nfs/dbraw/zinc/78/91/55/571789155.db2.gz LXAYKWCVSPQUHP-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](NCC1C[NH2+]C1)[C@@H]1CCCO1 710856976 571787938 /nfs/dbraw/zinc/78/79/38/571787938.db2.gz FTVYQJFKRXPIFX-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]([NH2+]CC1CNC1)[C@@H]1CCCO1 710856976 571787941 /nfs/dbraw/zinc/78/79/41/571787941.db2.gz FTVYQJFKRXPIFX-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO CNC[C@@H](C)[NH2+]C[C@H](C)n1cncn1 234362912 571788563 /nfs/dbraw/zinc/78/85/63/571788563.db2.gz ZLXJIBSXHXDFQL-BDAKNGLRSA-N 1 3 197.286 0.037 10 0 ACAEHO CN(CCO)C[C@H]1CCC[C@H]1[NH3+] 249984359 571788938 /nfs/dbraw/zinc/78/89/38/571788938.db2.gz LXAYKWCVSPQUHP-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN(CCO)[C@@H]1CCC[C@H]1C[NH3+] 249984652 571789757 /nfs/dbraw/zinc/78/97/57/571789757.db2.gz MFRCIFVVELHTFE-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCC[C@H]1CN 249984652 571789759 /nfs/dbraw/zinc/78/97/59/571789759.db2.gz MFRCIFVVELHTFE-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCC[C@H]1CN 249984652 571789763 /nfs/dbraw/zinc/78/97/63/571789763.db2.gz MFRCIFVVELHTFE-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO CNC[C@@H](C)[NH2+]CCn1cccn1 234362608 571789798 /nfs/dbraw/zinc/78/97/98/571789798.db2.gz ZYMOKIFDGXKALT-SECBINFHSA-N 1 3 182.271 0.081 10 0 ACAEHO CNC[C@@H](C)[NH2+]C[C@@H](C)n1cncn1 234362708 571790067 /nfs/dbraw/zinc/79/00/67/571790067.db2.gz ZLXJIBSXHXDFQL-RKDXNWHRSA-N 1 3 197.286 0.037 10 0 ACAEHO C[N@@H+]1CCCC[C@H]1CCOC1CNC1 234362133 571790120 /nfs/dbraw/zinc/79/01/20/571790120.db2.gz QFRMMLPFHDHXBD-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@H+]1CCCC[C@H]1CCOC1CNC1 234362133 571790123 /nfs/dbraw/zinc/79/01/23/571790123.db2.gz QFRMMLPFHDHXBD-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+]C[C@H](C)OCCN(C)C1CC1 234363921 571790782 /nfs/dbraw/zinc/79/07/82/571790782.db2.gz CFQLSAJKTGALDR-VIFPVBQESA-N 1 3 186.299 0.705 10 0 ACAEHO CN(CCO)[C@H]1CCC[C@H]1C[NH3+] 249984656 571791140 /nfs/dbraw/zinc/79/11/40/571791140.db2.gz MFRCIFVVELHTFE-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCC[C@H]1CN 249984656 571791145 /nfs/dbraw/zinc/79/11/45/571791145.db2.gz MFRCIFVVELHTFE-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCC[C@H]1CN 249984656 571791149 /nfs/dbraw/zinc/79/11/49/571791149.db2.gz MFRCIFVVELHTFE-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CC[C@@H](OC)C1 234373196 571791805 /nfs/dbraw/zinc/79/18/05/571791805.db2.gz UWCYXKVVLXOAHG-HBNTYKKESA-N 1 3 198.310 0.705 10 0 ACAEHO CC[N@H+](CCO)[C@H]1CCCC[C@H]1N 249703130 571791858 /nfs/dbraw/zinc/79/18/58/571791858.db2.gz FLARUBOCJREBRV-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@@H+](CCO)[C@H]1CCCC[C@H]1N 249703130 571791860 /nfs/dbraw/zinc/79/18/60/571791860.db2.gz FLARUBOCJREBRV-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CC[C@@H](OC)C1 234368177 571792079 /nfs/dbraw/zinc/79/20/79/571792079.db2.gz UWCYXKVVLXOAHG-AXFHLTTASA-N 1 3 198.310 0.705 10 0 ACAEHO CCN(C[C@@H](C)C[NH3+])[C@H](C)COC 249957270 571792329 /nfs/dbraw/zinc/79/23/29/571792329.db2.gz LORQWDPGNBYGHU-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@H+](C[C@@H](C)CN)[C@H](C)COC 249957270 571792335 /nfs/dbraw/zinc/79/23/35/571792335.db2.gz LORQWDPGNBYGHU-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@@H+](C[C@@H](C)CN)[C@H](C)COC 249957270 571792339 /nfs/dbraw/zinc/79/23/39/571792339.db2.gz LORQWDPGNBYGHU-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO C[NH2+]CC[C@@H](C)N1CCN(C)C[C@@H]1C 234367835 571792708 /nfs/dbraw/zinc/79/27/08/571792708.db2.gz CPQSJFBWNYIYJZ-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCN(CCO)C[C@H]1CCC[C@H]1[NH3+] 249706577 571792764 /nfs/dbraw/zinc/79/27/64/571792764.db2.gz JAORWMFSRSZAMY-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+]C[C@@H](C)OCCN(C)C1CC1 234365226 571792785 /nfs/dbraw/zinc/79/27/85/571792785.db2.gz CFQLSAJKTGALDR-SECBINFHSA-N 1 3 186.299 0.705 10 0 ACAEHO OCC1(NCC2C[NH2+]C2)CCCC1 710859722 571792858 /nfs/dbraw/zinc/79/28/58/571792858.db2.gz QOPQHDIVLVTDGL-UHFFFAOYSA-N 1 3 184.283 0.101 10 0 ACAEHO OCC1([NH2+]CC2CNC2)CCCC1 710859722 571792861 /nfs/dbraw/zinc/79/28/61/571792861.db2.gz QOPQHDIVLVTDGL-UHFFFAOYSA-N 1 3 184.283 0.101 10 0 ACAEHO COCCN(C)C[C@H]1CCC[C@H]1[NH3+] 249952140 571792944 /nfs/dbraw/zinc/79/29/44/571792944.db2.gz ABIMUUWMUIFCBK-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@@H](C)C[NH2+]CCCN 37713478 571793714 /nfs/dbraw/zinc/79/37/14/571793714.db2.gz QBJVMUMPGQUHQP-MRVPVSSYSA-N 1 3 144.262 0.971 10 0 ACAEHO CC[N@H+](CCO)[C@H]1CCC[C@H]1N 249707234 571793796 /nfs/dbraw/zinc/79/37/96/571793796.db2.gz JUCRCEDOSVJQFN-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](CCO)[C@H]1CCC[C@H]1N 249707234 571793799 /nfs/dbraw/zinc/79/37/99/571793799.db2.gz JUCRCEDOSVJQFN-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(CCO)[C@@H]1CCCC[C@H]1C[NH3+] 249967341 571793853 /nfs/dbraw/zinc/79/38/53/571793853.db2.gz GHCCSZSOHRDUFP-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCCC[C@H]1CN 249967341 571793855 /nfs/dbraw/zinc/79/38/55/571793855.db2.gz GHCCSZSOHRDUFP-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCCC[C@H]1CN 249967341 571793861 /nfs/dbraw/zinc/79/38/61/571793861.db2.gz GHCCSZSOHRDUFP-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[N@H+](CCOC)[C@@H]1CCC[C@H]1N 249699344 571793963 /nfs/dbraw/zinc/79/39/63/571793963.db2.gz ANEOIDHPWCTJGJ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](CCOC)[C@@H]1CCC[C@H]1N 249699344 571793966 /nfs/dbraw/zinc/79/39/66/571793966.db2.gz ANEOIDHPWCTJGJ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+]CC[C@@H](C)N1CC[C@@H](OC)C1 234367956 571794059 /nfs/dbraw/zinc/79/40/59/571794059.db2.gz PIIOXBXCDGKDGY-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[N@H+](CCOC)[C@H]1CCC[C@H]1N 249699345 571794089 /nfs/dbraw/zinc/79/40/89/571794089.db2.gz ANEOIDHPWCTJGJ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](CCOC)[C@H]1CCC[C@H]1N 249699345 571794095 /nfs/dbraw/zinc/79/40/95/571794095.db2.gz ANEOIDHPWCTJGJ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@H+](CCO)[C@@H]1CCC[C@H]1N 249707235 571794359 /nfs/dbraw/zinc/79/43/59/571794359.db2.gz JUCRCEDOSVJQFN-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](CCO)[C@@H]1CCC[C@H]1N 249707235 571794362 /nfs/dbraw/zinc/79/43/62/571794362.db2.gz JUCRCEDOSVJQFN-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@H+](CCOC)[C@@H](C)[C@H](C)N 249701773 571794435 /nfs/dbraw/zinc/79/44/35/571794435.db2.gz CWXVWLKOQOHZKL-IUCAKERBSA-N 1 3 174.288 0.690 10 0 ACAEHO CC[N@@H+](CCOC)[C@@H](C)[C@H](C)N 249701773 571794440 /nfs/dbraw/zinc/79/44/40/571794440.db2.gz CWXVWLKOQOHZKL-IUCAKERBSA-N 1 3 174.288 0.690 10 0 ACAEHO CN(C)c1ccc(C(CN)C[NH3+])cc1 71506610 571794727 /nfs/dbraw/zinc/79/47/27/571794727.db2.gz KSBAVMXDRTXDNZ-UHFFFAOYSA-N 1 3 193.294 0.754 10 0 ACAEHO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)CN 249814553 571794743 /nfs/dbraw/zinc/79/47/43/571794743.db2.gz IQJISSHOADLNRZ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)CN 249814553 571794748 /nfs/dbraw/zinc/79/47/48/571794748.db2.gz IQJISSHOADLNRZ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CN(CCO)[C@H]1CCCC[C@H]1C[NH3+] 249967340 571794980 /nfs/dbraw/zinc/79/49/80/571794980.db2.gz GHCCSZSOHRDUFP-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCCC[C@H]1CN 249967340 571794981 /nfs/dbraw/zinc/79/49/81/571794981.db2.gz GHCCSZSOHRDUFP-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCCC[C@H]1CN 249967340 571794982 /nfs/dbraw/zinc/79/49/82/571794982.db2.gz GHCCSZSOHRDUFP-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[N@H+](C[C@H]1CCCO1)[C@H](C)CN 249814548 571795003 /nfs/dbraw/zinc/79/50/03/571795003.db2.gz IQJISSHOADLNRZ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)CN 249814548 571795006 /nfs/dbraw/zinc/79/50/06/571795006.db2.gz IQJISSHOADLNRZ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCCN(C)C[C@@H]1CCC[C@H]1[NH3+] 249952143 571795958 /nfs/dbraw/zinc/79/59/58/571795958.db2.gz ABIMUUWMUIFCBK-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CC(C)C[NH2+]CCCN 37713131 571796025 /nfs/dbraw/zinc/79/60/25/571796025.db2.gz MBUAMOKJRSMXKM-UHFFFAOYSA-N 1 3 130.235 0.581 10 0 ACAEHO CCN(CCO)C[C@@H]1CCC[C@H]1[NH3+] 249706578 571796285 /nfs/dbraw/zinc/79/62/85/571796285.db2.gz JAORWMFSRSZAMY-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@H](C)C[NH2+]CCCN 37713479 571796660 /nfs/dbraw/zinc/79/66/60/571796660.db2.gz QBJVMUMPGQUHQP-QMMMGPOBSA-N 1 3 144.262 0.971 10 0 ACAEHO CC(C)CC[NH2+]CCCN 37713139 571797083 /nfs/dbraw/zinc/79/70/83/571797083.db2.gz XKEOMWUAWNWMEC-UHFFFAOYSA-N 1 3 144.262 0.971 10 0 ACAEHO CC[N@H+](CCO)[C@@H]1CCCC[C@H]1N 249703129 571797357 /nfs/dbraw/zinc/79/73/57/571797357.db2.gz FLARUBOCJREBRV-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@@H+](CCO)[C@@H]1CCCC[C@H]1N 249703129 571797362 /nfs/dbraw/zinc/79/73/62/571797362.db2.gz FLARUBOCJREBRV-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO N[C@@H]1CC[C@H]2CCCC[N@@H+]2C1 116878200 571797681 /nfs/dbraw/zinc/79/76/81/571797681.db2.gz DONKTPZXJJDKRZ-RKDXNWHRSA-N 1 3 154.257 0.962 10 0 ACAEHO N[C@@H]1CC[C@H]2CCCC[N@H+]2C1 116878200 571797684 /nfs/dbraw/zinc/79/76/84/571797684.db2.gz DONKTPZXJJDKRZ-RKDXNWHRSA-N 1 3 154.257 0.962 10 0 ACAEHO COC[C@@H](C)N(C)C[C@H](C)C[NH3+] 251095606 571797838 /nfs/dbraw/zinc/79/78/38/571797838.db2.gz LGMLKBKMOMLSAT-RKDXNWHRSA-N 1 3 174.288 0.548 10 0 ACAEHO N[C@H]1CC[C@H]2CCCC[N@@H+]2C1 116878203 571798171 /nfs/dbraw/zinc/79/81/71/571798171.db2.gz DONKTPZXJJDKRZ-DTWKUNHWSA-N 1 3 154.257 0.962 10 0 ACAEHO N[C@H]1CC[C@H]2CCCC[N@H+]2C1 116878203 571798174 /nfs/dbraw/zinc/79/81/74/571798174.db2.gz DONKTPZXJJDKRZ-DTWKUNHWSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H](CN1CCCC[C@H]1CO)C(N)=[NH2+] 251097726 571798200 /nfs/dbraw/zinc/79/82/00/571798200.db2.gz LZCFOOWHDZIHHF-IUCAKERBSA-N 1 3 199.298 0.405 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@H]1CO 251096331 571798591 /nfs/dbraw/zinc/79/85/91/571798591.db2.gz LPMLAPWXFFPRTI-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@H]1CO 251096331 571798592 /nfs/dbraw/zinc/79/85/92/571798592.db2.gz LPMLAPWXFFPRTI-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1CN 251109368 571798912 /nfs/dbraw/zinc/79/89/12/571798912.db2.gz OQTBAHYVDGXCDZ-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1CN 251109368 571798913 /nfs/dbraw/zinc/79/89/13/571798913.db2.gz OQTBAHYVDGXCDZ-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO CCN(CC1C[NH2+]C1)C(C)(C)CO 710867893 571799001 /nfs/dbraw/zinc/79/90/01/571799001.db2.gz ADIZOLDWYLAJMG-UHFFFAOYSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@H+](CC1CNC1)C(C)(C)CO 710867893 571799004 /nfs/dbraw/zinc/79/90/04/571799004.db2.gz ADIZOLDWYLAJMG-UHFFFAOYSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@@H+](CC1CNC1)C(C)(C)CO 710867893 571799008 /nfs/dbraw/zinc/79/90/08/571799008.db2.gz ADIZOLDWYLAJMG-UHFFFAOYSA-N 1 3 186.299 0.299 10 0 ACAEHO CCO[C@H](CN)C[N@@H+]1CCC[C@H]1C 250565534 571799068 /nfs/dbraw/zinc/79/90/68/571799068.db2.gz UYVFSVLYQOYYKQ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@H](CN)C[N@H+]1CCC[C@H]1C 250565534 571799071 /nfs/dbraw/zinc/79/90/71/571799071.db2.gz UYVFSVLYQOYYKQ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H]2CO)CCN1 143355887 571799091 /nfs/dbraw/zinc/79/90/91/571799091.db2.gz ATGCIJOMVVWJRN-HBNTYKKESA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H]2CO)CCN1 143355887 571799093 /nfs/dbraw/zinc/79/90/93/571799093.db2.gz ATGCIJOMVVWJRN-HBNTYKKESA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@H](N2CCC[C@@H]2CO)CC[NH2+]1 143355887 571799095 /nfs/dbraw/zinc/79/90/95/571799095.db2.gz ATGCIJOMVVWJRN-HBNTYKKESA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H](CN(C)C[C@H]1CCOC1)C(N)=[NH2+] 251104219 571799138 /nfs/dbraw/zinc/79/91/38/571799138.db2.gz NRWAGXBZOYARET-DTWKUNHWSA-N 1 3 199.298 0.527 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@@H]1CCO[C@@H]1C 234438058 571799440 /nfs/dbraw/zinc/79/94/40/571799440.db2.gz FHKFENBRNONTKY-BBBLOLIVSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H](C[NH3+])N1CCC[C@H]1CCCO 251101248 571799534 /nfs/dbraw/zinc/79/95/34/571799534.db2.gz NBGKDWMQNWBREA-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](C[NH3+])N1CCC[C@H]1CCCO 251101245 571800021 /nfs/dbraw/zinc/80/00/21/571800021.db2.gz NBGKDWMQNWBREA-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H](C[NH3+])N(C)[C@H]1CCCN(C)C1 251085433 571800072 /nfs/dbraw/zinc/80/00/72/571800072.db2.gz NDIMERNXEZJSTR-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCC[C@H]1CN(C)C 251100320 571800100 /nfs/dbraw/zinc/80/01/00/571800100.db2.gz MTWWYMYEFMEWJI-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H](CN1CCCC[C@H]1CO)C(N)=[NH2+] 251097725 571800418 /nfs/dbraw/zinc/80/04/18/571800418.db2.gz LZCFOOWHDZIHHF-BDAKNGLRSA-N 1 3 199.298 0.405 10 0 ACAEHO NCCC[NH2+][C@H]1CC[C@H](O)CC1 250527196 571800450 /nfs/dbraw/zinc/80/04/50/571800450.db2.gz QALPSNUSPANNSP-KYZUINATSA-N 1 3 172.272 0.228 10 0 ACAEHO C[C@H](CN(C)C[C@H]1CCOC1)C(N)=[NH2+] 251104226 571800458 /nfs/dbraw/zinc/80/04/58/571800458.db2.gz NRWAGXBZOYARET-RKDXNWHRSA-N 1 3 199.298 0.527 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2CO)CCN1 143356065 571800485 /nfs/dbraw/zinc/80/04/85/571800485.db2.gz ATGCIJOMVVWJRN-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2CO)CCN1 143356065 571800486 /nfs/dbraw/zinc/80/04/86/571800486.db2.gz ATGCIJOMVVWJRN-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@@H](N2CCC[C@@H]2CO)CC[NH2+]1 143356065 571800487 /nfs/dbraw/zinc/80/04/87/571800487.db2.gz ATGCIJOMVVWJRN-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO CCO[C@@H](CN)C[N@@H+]1CCC[C@H]1C 250565537 571800526 /nfs/dbraw/zinc/80/05/26/571800526.db2.gz UYVFSVLYQOYYKQ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@@H](CN)C[N@H+]1CCC[C@H]1C 250565537 571800528 /nfs/dbraw/zinc/80/05/28/571800528.db2.gz UYVFSVLYQOYYKQ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO Cc1nc(CN)c2c(n1)CC[N@H+](C)C2 20383784 571802759 /nfs/dbraw/zinc/80/27/59/571802759.db2.gz ZZEGLVPLPGHISO-UHFFFAOYSA-N 1 3 192.266 0.232 10 0 ACAEHO CN(CCOCC[NH3+])c1ccncc1 301021705 571800879 /nfs/dbraw/zinc/80/08/79/571800879.db2.gz KMFCFMBWIXUNSU-UHFFFAOYSA-N 1 3 195.266 0.493 10 0 ACAEHO C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1CN 251109372 571801448 /nfs/dbraw/zinc/80/14/48/571801448.db2.gz OQTBAHYVDGXCDZ-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[NH2+][C@H](C)CN1CCC[C@H]1CN(C)C 251100317 571801140 /nfs/dbraw/zinc/80/11/40/571801140.db2.gz MTWWYMYEFMEWJI-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CN1CCC([C@@]2(CO)CCC[NH2+]2)CC1 143355258 571801180 /nfs/dbraw/zinc/80/11/80/571801180.db2.gz YSGCKXVVHWDUAS-NSHDSACASA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1([NH2+]CC2(CN)CC2)CCCOC1 235726525 571801384 /nfs/dbraw/zinc/80/13/84/571801384.db2.gz APJBJIXFBGRVOV-JTQLQIEISA-N 1 3 198.310 0.884 10 0 ACAEHO C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1CN 251109372 571801446 /nfs/dbraw/zinc/80/14/46/571801446.db2.gz OQTBAHYVDGXCDZ-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO OCC[C@@H]1CCCN1CC1C[NH2+]C1 710882811 571801504 /nfs/dbraw/zinc/80/15/04/571801504.db2.gz LENDDMFUTBXURV-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO OCC[C@@H]1CCC[N@@H+]1CC1CNC1 710882811 571801509 /nfs/dbraw/zinc/80/15/09/571801509.db2.gz LENDDMFUTBXURV-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO OCC[C@@H]1CCC[N@H+]1CC1CNC1 710882811 571801514 /nfs/dbraw/zinc/80/15/14/571801514.db2.gz LENDDMFUTBXURV-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO C[NH2+][C@@H](C)CN(C)[C@H]1CCCN(C)C1 251119202 571803687 /nfs/dbraw/zinc/80/36/87/571803687.db2.gz QOSPVQYCKFDLQE-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C1CCN(CCNCC2C[NH2+]C2)CC1 710877565 571802431 /nfs/dbraw/zinc/80/24/31/571802431.db2.gz PJQOILGHLSDRHU-UHFFFAOYSA-N 1 3 197.326 0.281 10 0 ACAEHO CN(C)CC(C)(C)NCC1C[NH2+]C1 710876458 571802470 /nfs/dbraw/zinc/80/24/70/571802470.db2.gz LYVUCRPHROUZHF-UHFFFAOYSA-N 1 3 185.315 0.136 10 0 ACAEHO C[NH2+]C[C@@H](C)N1CCC[C@H]1CN(C)C 251142201 571802514 /nfs/dbraw/zinc/80/25/14/571802514.db2.gz WMHFINALEFOJNS-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@H](C)[C@@H](C)N 251004443 571802556 /nfs/dbraw/zinc/80/25/56/571802556.db2.gz RBCYXQLVSAJZTL-DJLDLDEBSA-N 1 3 174.288 0.689 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)N 251004443 571802559 /nfs/dbraw/zinc/80/25/59/571802559.db2.gz RBCYXQLVSAJZTL-DJLDLDEBSA-N 1 3 174.288 0.689 10 0 ACAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@H]1CO 251056083 571802582 /nfs/dbraw/zinc/80/25/82/571802582.db2.gz HASYYQIHGOAEGQ-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H](CCN)[N@H+]1CCC[C@H]1CO 251056083 571802586 /nfs/dbraw/zinc/80/25/86/571802586.db2.gz HASYYQIHGOAEGQ-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCC[C@H]1CN(C)C 251142205 571802605 /nfs/dbraw/zinc/80/26/05/571802605.db2.gz WMHFINALEFOJNS-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO Cc1nc(CN)c2c(n1)CC[N@@H+](C)C2 20383784 571802754 /nfs/dbraw/zinc/80/27/54/571802754.db2.gz ZZEGLVPLPGHISO-UHFFFAOYSA-N 1 3 192.266 0.232 10 0 ACAEHO C[C@@H](NC1CC1)C1C[NH2+]C1 21061565 571802785 /nfs/dbraw/zinc/80/27/85/571802785.db2.gz MLBGYWIYJLKHBV-ZCFIWIBFSA-N 1 3 140.230 0.346 10 0 ACAEHO C[C@@H]([NH2+]C1CC1)C1CNC1 21061565 571802788 /nfs/dbraw/zinc/80/27/88/571802788.db2.gz MLBGYWIYJLKHBV-ZCFIWIBFSA-N 1 3 140.230 0.346 10 0 ACAEHO CC[C@H](CN)[N@@H+]1CCC[C@H]1CN(C)C 251112474 571802795 /nfs/dbraw/zinc/80/27/95/571802795.db2.gz UOHIZTYIVFWMPH-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H](CN)[N@H+]1CCC[C@H]1CN(C)C 251112474 571802798 /nfs/dbraw/zinc/80/27/98/571802798.db2.gz UOHIZTYIVFWMPH-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](CN1CCC[C@H]1CO)C(N)=[NH2+] 251149634 571802981 /nfs/dbraw/zinc/80/29/81/571802981.db2.gz XZQWMGXVNWXCPC-SFYZADRCSA-N 1 3 185.271 0.015 10 0 ACAEHO OCCCN[C@H]1CC[N@@H+]2CCCC[C@H]12 250871028 571803054 /nfs/dbraw/zinc/80/30/54/571803054.db2.gz SLUSJFNYKHTLNO-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO OCCCN[C@H]1CC[N@H+]2CCCC[C@H]12 250871028 571803058 /nfs/dbraw/zinc/80/30/58/571803058.db2.gz SLUSJFNYKHTLNO-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1CNC1 710911006 571808840 /nfs/dbraw/zinc/80/88/40/571808840.db2.gz GRKAISJZRMYRFI-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[C@H]1CCCN1CC1C[NH2+]C1 710911006 571808845 /nfs/dbraw/zinc/80/88/45/571808845.db2.gz GRKAISJZRMYRFI-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCCC[C@H]1CO 251068054 571803143 /nfs/dbraw/zinc/80/31/43/571803143.db2.gz DSXBFDMIMSKCLS-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCCC[C@H]1CO 251068054 571803144 /nfs/dbraw/zinc/80/31/44/571803144.db2.gz DSXBFDMIMSKCLS-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCCC[C@H]1CO 251068054 571803145 /nfs/dbraw/zinc/80/31/45/571803145.db2.gz DSXBFDMIMSKCLS-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO OCC[C@H]1CCCN1CC1C[NH2+]C1 710882815 571803183 /nfs/dbraw/zinc/80/31/83/571803183.db2.gz LENDDMFUTBXURV-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO OCC[C@H]1CCC[N@@H+]1CC1CNC1 710882815 571803185 /nfs/dbraw/zinc/80/31/85/571803185.db2.gz LENDDMFUTBXURV-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO OCC[C@H]1CCC[N@H+]1CC1CNC1 710882815 571803187 /nfs/dbraw/zinc/80/31/87/571803187.db2.gz LENDDMFUTBXURV-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO CC[C@@H](CN)[N@H+](C)C[C@H]1CCCO1 251068591 571803229 /nfs/dbraw/zinc/80/32/29/571803229.db2.gz JHWOGPUNRZIYLH-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](CN)[N@@H+](C)C[C@H]1CCCO1 251068591 571803230 /nfs/dbraw/zinc/80/32/30/571803230.db2.gz JHWOGPUNRZIYLH-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO OCCCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 250871026 571803852 /nfs/dbraw/zinc/80/38/52/571803852.db2.gz SLUSJFNYKHTLNO-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO OCCCN[C@@H]1CC[N@H+]2CCCC[C@H]12 250871026 571803856 /nfs/dbraw/zinc/80/38/56/571803856.db2.gz SLUSJFNYKHTLNO-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CC[C@H](CCN)[N@H+](C)C[C@H](C)O 251064252 571803905 /nfs/dbraw/zinc/80/39/05/571803905.db2.gz IJRVEBLGMBAPQZ-DTWKUNHWSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@H](CCN)[N@@H+](C)C[C@H](C)O 251064252 571803908 /nfs/dbraw/zinc/80/39/08/571803908.db2.gz IJRVEBLGMBAPQZ-DTWKUNHWSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)C[C@H](C)O 251064252 571803914 /nfs/dbraw/zinc/80/39/14/571803914.db2.gz IJRVEBLGMBAPQZ-DTWKUNHWSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)C[C@H]1CCOC1 251068199 571803948 /nfs/dbraw/zinc/80/39/48/571803948.db2.gz DWIVTFCMSPIAIA-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)C[C@H]1CCOC1 251068199 571803953 /nfs/dbraw/zinc/80/39/53/571803953.db2.gz DWIVTFCMSPIAIA-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)C[C@H]1CCOC1 251068199 571803958 /nfs/dbraw/zinc/80/39/58/571803958.db2.gz DWIVTFCMSPIAIA-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@]([NH3+])(C1CC1)C1CNC1 21366625 571804059 /nfs/dbraw/zinc/80/40/59/571804059.db2.gz SADWJLGDRIGCAD-QMMMGPOBSA-N 1 3 140.230 0.333 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CCCC[C@H]1CO 251068056 571804147 /nfs/dbraw/zinc/80/41/47/571804147.db2.gz DSXBFDMIMSKCLS-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[N@H+]1CCCC[C@H]1CO 251068056 571804149 /nfs/dbraw/zinc/80/41/49/571804149.db2.gz DSXBFDMIMSKCLS-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](C[NH3+])CN1CCCC[C@H]1CO 251068056 571804153 /nfs/dbraw/zinc/80/41/53/571804153.db2.gz DSXBFDMIMSKCLS-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN1CCC[C@H]1CO)C(N)=[NH2+] 251149636 571804324 /nfs/dbraw/zinc/80/43/24/571804324.db2.gz XZQWMGXVNWXCPC-YUMQZZPRSA-N 1 3 185.271 0.015 10 0 ACAEHO CC[C@@H](CCN)[N@H+](C)C[C@H](C)O 251064253 571804362 /nfs/dbraw/zinc/80/43/62/571804362.db2.gz IJRVEBLGMBAPQZ-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@@H](CCN)[N@@H+](C)C[C@H](C)O 251064253 571804365 /nfs/dbraw/zinc/80/43/65/571804365.db2.gz IJRVEBLGMBAPQZ-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@@H](CC[NH3+])N(C)C[C@H](C)O 251064253 571804367 /nfs/dbraw/zinc/80/43/67/571804367.db2.gz IJRVEBLGMBAPQZ-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[N@@H+]1CCc2ncnc(CN)c2C1 20383854 571804414 /nfs/dbraw/zinc/80/44/14/571804414.db2.gz OOLKOECPZNHQIB-UHFFFAOYSA-N 1 3 192.266 0.313 10 0 ACAEHO CC[N@H+]1CCc2ncnc(CN)c2C1 20383854 571804419 /nfs/dbraw/zinc/80/44/19/571804419.db2.gz OOLKOECPZNHQIB-UHFFFAOYSA-N 1 3 192.266 0.313 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1CCC[C@H]1CN(C)C 251067844 571804573 /nfs/dbraw/zinc/80/45/73/571804573.db2.gz XISHPKFDSMCMFI-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CC2)CCN1 73657472 571804655 /nfs/dbraw/zinc/80/46/55/571804655.db2.gz NBPHOPCSCNWTKA-VXNVDRBHSA-N 1 3 154.257 0.879 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC2)CC[NH2+]1 73657472 571804663 /nfs/dbraw/zinc/80/46/63/571804663.db2.gz NBPHOPCSCNWTKA-VXNVDRBHSA-N 1 3 154.257 0.879 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)[C@H]1CCCN(C)C1 251133650 571804691 /nfs/dbraw/zinc/80/46/91/571804691.db2.gz UXGUNBWSASETHQ-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CC2)CCN1 73657479 571804737 /nfs/dbraw/zinc/80/47/37/571804737.db2.gz NBPHOPCSCNWTKA-APPZFPTMSA-N 1 3 154.257 0.879 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC2)CC[NH2+]1 73657479 571804740 /nfs/dbraw/zinc/80/47/40/571804740.db2.gz NBPHOPCSCNWTKA-APPZFPTMSA-N 1 3 154.257 0.879 10 0 ACAEHO C[C@H](O)CN(C)C[C@@H]1CCC[C@H]1[NH3+] 251150943 571804742 /nfs/dbraw/zinc/80/47/42/571804742.db2.gz YFMVPITUJOINTE-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@H](C[NH3+])N1CCC[C@H]1CO 251031871 571804845 /nfs/dbraw/zinc/80/48/45/571804845.db2.gz ALZYHZHJBKXAPD-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](C[NH3+])CN(C)[C@H]1CCCN(C)C1 251133648 571804956 /nfs/dbraw/zinc/80/49/56/571804956.db2.gz UXGUNBWSASETHQ-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H](C(N)=[NH2+])N1CCC[C@H]1CN(C)C 251067841 571804963 /nfs/dbraw/zinc/80/49/63/571804963.db2.gz XISHPKFDSMCMFI-BDAKNGLRSA-N 1 3 198.314 0.337 10 0 ACAEHO CC[C@@](C)(C[NH3+])CN(C)C[C@H](C)O 251213863 571808857 /nfs/dbraw/zinc/80/88/57/571808857.db2.gz DXLWOHGVBPKSHT-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CCC[C@H]1CO 251121328 571805105 /nfs/dbraw/zinc/80/51/05/571805105.db2.gz RDPOUICJESDHNK-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@@](C)(CN)C[N@H+](C)C[C@H](C)O 251213863 571808860 /nfs/dbraw/zinc/80/88/60/571808860.db2.gz DXLWOHGVBPKSHT-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@H](CCN)[N@@H+]1CCC[C@H]1CO 251056087 571805176 /nfs/dbraw/zinc/80/51/76/571805176.db2.gz HASYYQIHGOAEGQ-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H](CCN)[N@H+]1CCC[C@H]1CO 251056087 571805179 /nfs/dbraw/zinc/80/51/79/571805179.db2.gz HASYYQIHGOAEGQ-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[NH2+][C@@H]1CCNC[C@@H]1C 73655284 571805207 /nfs/dbraw/zinc/80/52/07/571805207.db2.gz PAUNMBAXXJIWSQ-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@](C)(CN)C[N@@H+](C)C[C@H](C)O 251213863 571808862 /nfs/dbraw/zinc/80/88/62/571808862.db2.gz DXLWOHGVBPKSHT-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1N 251007896 571805448 /nfs/dbraw/zinc/80/54/48/571805448.db2.gz SNQRGLRKLTYZOH-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1N 251007896 571805453 /nfs/dbraw/zinc/80/54/53/571805453.db2.gz SNQRGLRKLTYZOH-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](O)CN(C)C[C@H]1CCC[C@H]1[NH3+] 251150942 571805559 /nfs/dbraw/zinc/80/55/59/571805559.db2.gz YFMVPITUJOINTE-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@@H]1C1CC1 22036127 571805589 /nfs/dbraw/zinc/80/55/89/571805589.db2.gz IGGZYVURWXKXLF-BDAKNGLRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C2CC2)CCN1 73657476 571805604 /nfs/dbraw/zinc/80/56/04/571805604.db2.gz NBPHOPCSCNWTKA-IONNQARKSA-N 1 3 154.257 0.879 10 0 ACAEHO C[C@H]1C[C@H](NC2CC2)CC[NH2+]1 73657476 571805606 /nfs/dbraw/zinc/80/56/06/571805606.db2.gz NBPHOPCSCNWTKA-IONNQARKSA-N 1 3 154.257 0.879 10 0 ACAEHO C[NH2+][C@H](C)CN(C)[C@H]1CCCN(C)C1 251119200 571805620 /nfs/dbraw/zinc/80/56/20/571805620.db2.gz QOSPVQYCKFDLQE-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](CN)[N@H+](C)C[C@H]1CCCO1 251068589 571805685 /nfs/dbraw/zinc/80/56/85/571805685.db2.gz JHWOGPUNRZIYLH-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H](CN)[N@@H+](C)C[C@H]1CCCO1 251068589 571805691 /nfs/dbraw/zinc/80/56/91/571805691.db2.gz JHWOGPUNRZIYLH-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](CN)C[N@H+](C)C[C@H]1CCOC1 251068197 571805795 /nfs/dbraw/zinc/80/57/95/571805795.db2.gz DWIVTFCMSPIAIA-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@H](CN)C[N@@H+](C)C[C@H]1CCOC1 251068197 571805798 /nfs/dbraw/zinc/80/57/98/571805798.db2.gz DWIVTFCMSPIAIA-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@H](C[NH3+])CN(C)C[C@H]1CCOC1 251068197 571805803 /nfs/dbraw/zinc/80/58/03/571805803.db2.gz DWIVTFCMSPIAIA-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@H]1CCC[C@]1(O)CNCC1C[NH2+]C1 710908404 571809443 /nfs/dbraw/zinc/80/94/43/571809443.db2.gz SLRSRVZDJLURQR-ONGXEEELSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@H]1CCC[C@]1(O)C[NH2+]CC1CNC1 710908404 571809445 /nfs/dbraw/zinc/80/94/45/571809445.db2.gz SLRSRVZDJLURQR-ONGXEEELSA-N 1 3 198.310 0.347 10 0 ACAEHO CC[C@H]([NH3+])CN(C)[C@H]1CCCN(C)C1 251112571 571806048 /nfs/dbraw/zinc/80/60/48/571806048.db2.gz UONPYOUUULEMIG-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@@H]1C1CC1 22969508 571806092 /nfs/dbraw/zinc/80/60/92/571806092.db2.gz IGGZYVURWXKXLF-IUCAKERBSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCNC[C@@H]1C 73655302 571806140 /nfs/dbraw/zinc/80/61/40/571806140.db2.gz IEVROJJHJKRFCH-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1N 251007898 571806180 /nfs/dbraw/zinc/80/61/80/571806180.db2.gz SNQRGLRKLTYZOH-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1N 251007898 571806183 /nfs/dbraw/zinc/80/61/83/571806183.db2.gz SNQRGLRKLTYZOH-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO CC(C)[NH2+][C@H]1CCNC[C@@H]1C 73655298 571806193 /nfs/dbraw/zinc/80/61/93/571806193.db2.gz IEVROJJHJKRFCH-IUCAKERBSA-N 1 3 156.273 0.982 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@H]1CCO[C@@H]1C 234438211 571806195 /nfs/dbraw/zinc/80/61/95/571806195.db2.gz FHKFENBRNONTKY-OPRDCNLKSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C2CC2)CCN1 73657482 571806210 /nfs/dbraw/zinc/80/62/10/571806210.db2.gz NBPHOPCSCNWTKA-CBAPKCEASA-N 1 3 154.257 0.879 10 0 ACAEHO C[C@H]1C[C@@H](NC2CC2)CC[NH2+]1 73657482 571806214 /nfs/dbraw/zinc/80/62/14/571806214.db2.gz NBPHOPCSCNWTKA-CBAPKCEASA-N 1 3 154.257 0.879 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@H](C)[C@H](C)N 251004444 571806343 /nfs/dbraw/zinc/80/63/43/571806343.db2.gz RBCYXQLVSAJZTL-XHNCKOQMSA-N 1 3 174.288 0.689 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)N 251004444 571806349 /nfs/dbraw/zinc/80/63/49/571806349.db2.gz RBCYXQLVSAJZTL-XHNCKOQMSA-N 1 3 174.288 0.689 10 0 ACAEHO C[C@H]1COCC[C@@H]1[N@H+](C)CCCN 301022526 571806477 /nfs/dbraw/zinc/80/64/77/571806477.db2.gz NXALQABWMDJFNO-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]1COCC[C@@H]1[N@@H+](C)CCCN 301022526 571806478 /nfs/dbraw/zinc/80/64/78/571806478.db2.gz NXALQABWMDJFNO-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]1COCC[C@@H]1N(C)CCC[NH3+] 301022526 571806480 /nfs/dbraw/zinc/80/64/80/571806480.db2.gz NXALQABWMDJFNO-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCC[C@H]1CO 251031876 571806486 /nfs/dbraw/zinc/80/64/86/571806486.db2.gz ALZYHZHJBKXAPD-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](CN)[N@@H+]1CCC[C@H]1CN(C)C 251112480 571806568 /nfs/dbraw/zinc/80/65/68/571806568.db2.gz UOHIZTYIVFWMPH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H](CN)[N@H+]1CCC[C@H]1CN(C)C 251112480 571806570 /nfs/dbraw/zinc/80/65/70/571806570.db2.gz UOHIZTYIVFWMPH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1CCC[C@@]1(O)CNCC1C[NH2+]C1 710908398 571806682 /nfs/dbraw/zinc/80/66/82/571806682.db2.gz SLRSRVZDJLURQR-MWLCHTKSSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H]1CCC[C@@]1(O)C[NH2+]CC1CNC1 710908398 571806684 /nfs/dbraw/zinc/80/66/84/571806684.db2.gz SLRSRVZDJLURQR-MWLCHTKSSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H](O)C[C@@H]1CCCN1CC1C[NH2+]C1 710911004 571807155 /nfs/dbraw/zinc/80/71/55/571807155.db2.gz GRKAISJZRMYRFI-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CCC[C@H]1CO 251121324 571806875 /nfs/dbraw/zinc/80/68/75/571806875.db2.gz RDPOUICJESDHNK-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO O[C@@H]1CCCC[C@H]1CNCC1C[NH2+]C1 710906928 571807084 /nfs/dbraw/zinc/80/70/84/571807084.db2.gz KVQCVYCJTGGAEV-WDEREUQCSA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@@H]1CCCC[C@H]1C[NH2+]CC1CNC1 710906928 571807090 /nfs/dbraw/zinc/80/70/90/571807090.db2.gz KVQCVYCJTGGAEV-WDEREUQCSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC1CNC1 710911004 571807146 /nfs/dbraw/zinc/80/71/46/571807146.db2.gz GRKAISJZRMYRFI-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC1CNC1 710911004 571807151 /nfs/dbraw/zinc/80/71/51/571807151.db2.gz GRKAISJZRMYRFI-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)CN(C)C[C@H]1CCC[C@@H]1[NH3+] 251150940 571807177 /nfs/dbraw/zinc/80/71/77/571807177.db2.gz YFMVPITUJOINTE-AEJSXWLSSA-N 1 3 186.299 0.426 10 0 ACAEHO CCC[NH2+][C@@H]1CCNC[C@H]1C 73655292 571807357 /nfs/dbraw/zinc/80/73/57/571807357.db2.gz PAUNMBAXXJIWSQ-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@H]1COCC[C@@H]1[N@H+](C)CCCN 301022528 571807434 /nfs/dbraw/zinc/80/74/34/571807434.db2.gz NXALQABWMDJFNO-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1COCC[C@@H]1[N@@H+](C)CCCN 301022528 571807436 /nfs/dbraw/zinc/80/74/36/571807436.db2.gz NXALQABWMDJFNO-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1COCC[C@@H]1N(C)CCC[NH3+] 301022528 571807437 /nfs/dbraw/zinc/80/74/37/571807437.db2.gz NXALQABWMDJFNO-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO O[C@H]1CCCC[C@@H]1CNCC1C[NH2+]C1 710906926 571807450 /nfs/dbraw/zinc/80/74/50/571807450.db2.gz KVQCVYCJTGGAEV-MNOVXSKESA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@H]1CCCC[C@@H]1C[NH2+]CC1CNC1 710906926 571807452 /nfs/dbraw/zinc/80/74/52/571807452.db2.gz KVQCVYCJTGGAEV-MNOVXSKESA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H]1CCC[C@]1(O)CNCC1C[NH2+]C1 710908124 571810052 /nfs/dbraw/zinc/81/00/52/571810052.db2.gz SLRSRVZDJLURQR-KOLCDFICSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H]1CCC[C@]1(O)C[NH2+]CC1CNC1 710908124 571810053 /nfs/dbraw/zinc/81/00/53/571810053.db2.gz SLRSRVZDJLURQR-KOLCDFICSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H]1COCC[C@H]1[N@H+](C)CCCN 301022525 571807590 /nfs/dbraw/zinc/80/75/90/571807590.db2.gz NXALQABWMDJFNO-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1COCC[C@H]1[N@@H+](C)CCCN 301022525 571807592 /nfs/dbraw/zinc/80/75/92/571807592.db2.gz NXALQABWMDJFNO-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1COCC[C@H]1N(C)CCC[NH3+] 301022525 571807599 /nfs/dbraw/zinc/80/75/99/571807599.db2.gz NXALQABWMDJFNO-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC1CNC1 710911015 571807868 /nfs/dbraw/zinc/80/78/68/571807868.db2.gz GRKAISJZRMYRFI-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[C@@H]1CCC[N@H+]1CC1CNC1 710911015 571807873 /nfs/dbraw/zinc/80/78/73/571807873.db2.gz GRKAISJZRMYRFI-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[C@@H]1CCCN1CC1C[NH2+]C1 710911015 571807878 /nfs/dbraw/zinc/80/78/78/571807878.db2.gz GRKAISJZRMYRFI-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO CC(C)[NH2+][C@H]1CCNC[C@H]1C 73655296 571807996 /nfs/dbraw/zinc/80/79/96/571807996.db2.gz IEVROJJHJKRFCH-BDAKNGLRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCNC[C@H]1C 73655300 571808074 /nfs/dbraw/zinc/80/80/74/571808074.db2.gz IEVROJJHJKRFCH-RKDXNWHRSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)[C@H]1CCCN(C)C1 251235677 571808167 /nfs/dbraw/zinc/80/81/67/571808167.db2.gz RGOHPXXWJRKOPQ-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[NH2+]C[C@@H](C)N(C)[C@H]1CCCN(C)C1 251069896 571808181 /nfs/dbraw/zinc/80/81/81/571808181.db2.gz FEBGQNONFYUDFV-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1NCC[C@H](C)[NH3+] 251183999 571808458 /nfs/dbraw/zinc/80/84/58/571808458.db2.gz HXDFSGAPQPKYDQ-LPEHRKFASA-N 1 3 186.299 0.881 10 0 ACAEHO CC[C@](C)(C[NH3+])CN(C)C[C@H](C)O 251213867 571808627 /nfs/dbraw/zinc/80/86/27/571808627.db2.gz DXLWOHGVBPKSHT-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@](C)(CN)C[N@H+](C)C[C@H](C)O 251213867 571808630 /nfs/dbraw/zinc/80/86/30/571808630.db2.gz DXLWOHGVBPKSHT-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@](C)(CN)C[N@@H+](C)C[C@H](C)O 251213867 571808632 /nfs/dbraw/zinc/80/86/32/571808632.db2.gz DXLWOHGVBPKSHT-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO COC[C@@H](C)N(C)CC[C@H](C)[NH3+] 251276503 571808681 /nfs/dbraw/zinc/80/86/81/571808681.db2.gz YOJRPMWIPXXMNI-DTWKUNHWSA-N 1 3 174.288 0.690 10 0 ACAEHO C[C@@H](O)C[C@H]1CCC[N@H+]1CC1CNC1 710911006 571808842 /nfs/dbraw/zinc/80/88/42/571808842.db2.gz GRKAISJZRMYRFI-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(CC[C@H](C)O)C1 251184279 571808693 /nfs/dbraw/zinc/80/86/93/571808693.db2.gz HYXHOXPTHJODJL-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@H](C)N(C)[C@H]1CCCN(C)C1 251069897 571808750 /nfs/dbraw/zinc/80/87/50/571808750.db2.gz FEBGQNONFYUDFV-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])Cc1nccn1C 74241186 571808780 /nfs/dbraw/zinc/80/87/80/571808780.db2.gz ZDCBHMZEMRJWEO-SECBINFHSA-N 1 3 196.298 0.242 10 0 ACAEHO Cn1ccnc1C[C@H](N)CC[NH+](C)C 74241186 571808784 /nfs/dbraw/zinc/80/87/84/571808784.db2.gz ZDCBHMZEMRJWEO-SECBINFHSA-N 1 3 196.298 0.242 10 0 ACAEHO CN(C)CC[C@H]([NH3+])Cc1nccn1C 74241188 571808957 /nfs/dbraw/zinc/80/89/57/571808957.db2.gz ZDCBHMZEMRJWEO-VIFPVBQESA-N 1 3 196.298 0.242 10 0 ACAEHO Cn1ccnc1C[C@@H](N)CC[NH+](C)C 74241188 571808961 /nfs/dbraw/zinc/80/89/61/571808961.db2.gz ZDCBHMZEMRJWEO-VIFPVBQESA-N 1 3 196.298 0.242 10 0 ACAEHO C[C@H](O)CN(C)[C@H](C)CC[NH3+] 251204359 571809082 /nfs/dbraw/zinc/80/90/82/571809082.db2.gz LHSVMUHJZFUQKS-SFYZADRCSA-N 1 3 160.261 0.036 10 0 ACAEHO C[C@H]1COCC[C@H]1[N@H+](C)CCCN 301022527 571809302 /nfs/dbraw/zinc/80/93/02/571809302.db2.gz NXALQABWMDJFNO-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]1COCC[C@H]1[N@@H+](C)CCCN 301022527 571809307 /nfs/dbraw/zinc/80/93/07/571809307.db2.gz NXALQABWMDJFNO-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]1COCC[C@H]1N(C)CCC[NH3+] 301022527 571809311 /nfs/dbraw/zinc/80/93/11/571809311.db2.gz NXALQABWMDJFNO-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN 251076330 571809669 /nfs/dbraw/zinc/80/96/69/571809669.db2.gz GNQLOOOECPMAQU-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCC[C@H]1CO 251239580 571809748 /nfs/dbraw/zinc/80/97/48/571809748.db2.gz RZFRXTKPCIDBCH-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCC[C@H]1CO 251239580 571809750 /nfs/dbraw/zinc/80/97/50/571809750.db2.gz RZFRXTKPCIDBCH-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CO[C@@H]1CCC[C@H]1NCC[C@H](C)[NH3+] 251183990 571809851 /nfs/dbraw/zinc/80/98/51/571809851.db2.gz HXDFSGAPQPKYDQ-IVZWLZJFSA-N 1 3 186.299 0.881 10 0 ACAEHO O[C@H]1CCCC[C@H]1CNCC1C[NH2+]C1 710906927 571809874 /nfs/dbraw/zinc/80/98/74/571809874.db2.gz KVQCVYCJTGGAEV-QWRGUYRKSA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@H]1CCCC[C@H]1C[NH2+]CC1CNC1 710906927 571809877 /nfs/dbraw/zinc/80/98/77/571809877.db2.gz KVQCVYCJTGGAEV-QWRGUYRKSA-N 1 3 198.310 0.347 10 0 ACAEHO CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CN 219376395 571810178 /nfs/dbraw/zinc/81/01/78/571810178.db2.gz BMWCDSOXGSZTCE-IVZWLZJFSA-N 1 3 186.299 0.474 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN 251076327 571810691 /nfs/dbraw/zinc/81/06/91/571810691.db2.gz GNQLOOOECPMAQU-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH+](C)CCCSC1=NCCN1 39372975 571810756 /nfs/dbraw/zinc/81/07/56/571810756.db2.gz KMFBOMKUKPBRBH-UHFFFAOYSA-N 1 3 187.312 0.631 10 0 ACAEHO COC[C@@H](C)N(C)[C@H](C)CC[NH3+] 251209681 571811404 /nfs/dbraw/zinc/81/14/04/571811404.db2.gz MCZPZDAEJAQPCO-RKDXNWHRSA-N 1 3 174.288 0.690 10 0 ACAEHO CN[C@H](C)C[NH2+]CCOCC1CC1 234437890 571811473 /nfs/dbraw/zinc/81/14/73/571811473.db2.gz WDPWABNYEXEFRN-SECBINFHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCC[C@H]1CO 251239583 571811740 /nfs/dbraw/zinc/81/17/40/571811740.db2.gz RZFRXTKPCIDBCH-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCC[C@H]1CO 251239583 571811742 /nfs/dbraw/zinc/81/17/42/571811742.db2.gz RZFRXTKPCIDBCH-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC([NH2+]CC2CNC2)C[C@@H](C)O1 710916632 571811764 /nfs/dbraw/zinc/81/17/64/571811764.db2.gz QOGCLMRBNKLKLL-RKDXNWHRSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC(C[NH3+])(NC[C@@H]2C[C@@H]2C)C1 234598396 571811966 /nfs/dbraw/zinc/81/19/66/571811966.db2.gz QABNQSSSDKYTCU-SAAXCQNUSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCCC[C@H]1CO 251226696 571812034 /nfs/dbraw/zinc/81/20/34/571812034.db2.gz PLUWDCWUPPFBBI-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCCC[C@H]1CO 251226696 571812039 /nfs/dbraw/zinc/81/20/39/571812039.db2.gz PLUWDCWUPPFBBI-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CC[NH3+])N1CCCC[C@H]1CO 251226696 571812047 /nfs/dbraw/zinc/81/20/47/571812047.db2.gz PLUWDCWUPPFBBI-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCCC[C@H]1CO 251226691 571812287 /nfs/dbraw/zinc/81/22/87/571812287.db2.gz PLUWDCWUPPFBBI-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCCC[C@H]1CO 251226691 571812290 /nfs/dbraw/zinc/81/22/90/571812290.db2.gz PLUWDCWUPPFBBI-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCCC[C@H]1CO 251226691 571812293 /nfs/dbraw/zinc/81/22/93/571812293.db2.gz PLUWDCWUPPFBBI-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO NC[C@@H]1CC[N@H+](C[C@]23COC[C@H]2C3)C1 689185738 571812309 /nfs/dbraw/zinc/81/23/09/571812309.db2.gz RFMJZXACQWDIJI-HBNTYKKESA-N 1 3 196.294 0.304 10 0 ACAEHO NC[C@@H]1CC[N@@H+](C[C@]23COC[C@H]2C3)C1 689185738 571812311 /nfs/dbraw/zinc/81/23/11/571812311.db2.gz RFMJZXACQWDIJI-HBNTYKKESA-N 1 3 196.294 0.304 10 0 ACAEHO [NH3+]C[C@@H]1CCN(C[C@]23COC[C@H]2C3)C1 689185738 571812314 /nfs/dbraw/zinc/81/23/14/571812314.db2.gz RFMJZXACQWDIJI-HBNTYKKESA-N 1 3 196.294 0.304 10 0 ACAEHO CCC(C)(C)[NH2+]CC1CNC1 710914196 571812502 /nfs/dbraw/zinc/81/25/02/571812502.db2.gz IFKWHPRDLSISIE-UHFFFAOYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@H](CC[NH3+])N(C)[C@H]1CCCN(C)C1 251235676 571812547 /nfs/dbraw/zinc/81/25/47/571812547.db2.gz RGOHPXXWJRKOPQ-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO COC1CC(C[NH3+])(NC[C@@H]2C[C@H]2C)C1 234598431 571812699 /nfs/dbraw/zinc/81/26/99/571812699.db2.gz QABNQSSSDKYTCU-MFQSTILNSA-N 1 3 198.310 0.738 10 0 ACAEHO CC[C@@H]([NH3+])CN(C)CCN(C)C 74309432 571812716 /nfs/dbraw/zinc/81/27/16/571812716.db2.gz CUDATBFZUUQWGP-SECBINFHSA-N 1 3 173.304 0.217 10 0 ACAEHO NC[C@@H]1CC[N@H+](C[C@@]23COC[C@@H]2C3)C1 689185734 571812735 /nfs/dbraw/zinc/81/27/35/571812735.db2.gz RFMJZXACQWDIJI-DCAQKATOSA-N 1 3 196.294 0.304 10 0 ACAEHO NC[C@@H]1CC[N@@H+](C[C@@]23COC[C@@H]2C3)C1 689185734 571812739 /nfs/dbraw/zinc/81/27/39/571812739.db2.gz RFMJZXACQWDIJI-DCAQKATOSA-N 1 3 196.294 0.304 10 0 ACAEHO [NH3+]C[C@@H]1CCN(C[C@@]23COC[C@@H]2C3)C1 689185734 571812745 /nfs/dbraw/zinc/81/27/45/571812745.db2.gz RFMJZXACQWDIJI-DCAQKATOSA-N 1 3 196.294 0.304 10 0 ACAEHO COCCCC[NH2+]CC1CNC1 710909323 571812769 /nfs/dbraw/zinc/81/27/69/571812769.db2.gz XMRBYQSCAHLOIB-UHFFFAOYSA-N 1 3 172.272 0.222 10 0 ACAEHO CC[C@H]([NH3+])CN(C)CCN(C)C 74309429 571813109 /nfs/dbraw/zinc/81/31/09/571813109.db2.gz CUDATBFZUUQWGP-VIFPVBQESA-N 1 3 173.304 0.217 10 0 ACAEHO COC1CC(C[NH3+])(NCC2CC2)C1 234598080 571813420 /nfs/dbraw/zinc/81/34/20/571813420.db2.gz OLYOFBLLQLMPDL-UHFFFAOYSA-N 1 3 184.283 0.492 10 0 ACAEHO COC1CC(C[NH3+])(NCCC2CC2)C1 234598135 571813653 /nfs/dbraw/zinc/81/36/53/571813653.db2.gz RFZXGICEMLBSGX-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO COC1CC(C[NH3+])(NC2CC=CC2)C1 234597902 571813936 /nfs/dbraw/zinc/81/39/36/571813936.db2.gz HKKKQLLJBVULGK-UHFFFAOYSA-N 1 3 196.294 0.801 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)[C@H]1CCCN(C)C1 251283284 571814274 /nfs/dbraw/zinc/81/42/74/571814274.db2.gz ZTGZKNCPNJUUAN-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO COC1CC(C[NH3+])(NC[C@H]2C[C@H]2C)C1 234598631 571814300 /nfs/dbraw/zinc/81/43/00/571814300.db2.gz QABNQSSSDKYTCU-NKVNRFPTSA-N 1 3 198.310 0.738 10 0 ACAEHO COC1CC(C[NH3+])(NC[C@H]2C[C@@H]2C)C1 234598599 571814315 /nfs/dbraw/zinc/81/43/15/571814315.db2.gz QABNQSSSDKYTCU-IZUQBHJASA-N 1 3 198.310 0.738 10 0 ACAEHO COC1(CC[NH2+]CCCN)CCC1 234601121 571814455 /nfs/dbraw/zinc/81/44/55/571814455.db2.gz NACXVAJXRGMQTF-UHFFFAOYSA-N 1 3 186.299 0.884 10 0 ACAEHO C[C@H]([NH3+])CCN(C)[C@H]1CCCN(C)C1 251283286 571814769 /nfs/dbraw/zinc/81/47/69/571814769.db2.gz ZTGZKNCPNJUUAN-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H](CC(N)=[NH2+])N(C)C[C@H](C)O 251386288 571814937 /nfs/dbraw/zinc/81/49/37/571814937.db2.gz UYUQMKRLVOBJCN-JGVFFNPUSA-N 1 3 187.287 0.404 10 0 ACAEHO CN(C)CC[NH2+][C@H]1CCCN(C)CC1 75125271 571815119 /nfs/dbraw/zinc/81/51/19/571815119.db2.gz HDQRBHOCUGOJLI-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN[C@H]1CCC[N@H+](C)CC1 75125271 571815120 /nfs/dbraw/zinc/81/51/20/571815120.db2.gz HDQRBHOCUGOJLI-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN[C@H]1CCC[N@@H+](C)CC1 75125271 571815127 /nfs/dbraw/zinc/81/51/27/571815127.db2.gz HDQRBHOCUGOJLI-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH+](C)C[C@@H](O)CN1CCC2(CC2)C1 400019426 571816309 /nfs/dbraw/zinc/81/63/09/571816309.db2.gz BCAXTLBQLFBBIK-SNVBAGLBSA-N 1 3 198.310 0.395 10 0 ACAEHO CC[C@@H](CC(N)=[NH2+])N(C)C[C@H](C)O 251386289 571816535 /nfs/dbraw/zinc/81/65/35/571816535.db2.gz UYUQMKRLVOBJCN-YUMQZZPRSA-N 1 3 187.287 0.404 10 0 ACAEHO C[NH+](C)C[C@H](O)CN1CCC2(CC2)C1 400019424 571816763 /nfs/dbraw/zinc/81/67/63/571816763.db2.gz BCAXTLBQLFBBIK-JTQLQIEISA-N 1 3 198.310 0.395 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCC[C@H]1CO 251705770 571819767 /nfs/dbraw/zinc/81/97/67/571819767.db2.gz XTOVITAKSWSQHZ-SFYZADRCSA-N 1 3 185.271 0.158 10 0 ACAEHO CN(C)CC[NH2+][C@@H]1CCCN(C)CC1 75125274 571816993 /nfs/dbraw/zinc/81/69/93/571816993.db2.gz HDQRBHOCUGOJLI-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN[C@@H]1CCC[N@H+](C)CC1 75125274 571816997 /nfs/dbraw/zinc/81/69/97/571816997.db2.gz HDQRBHOCUGOJLI-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN[C@@H]1CCC[N@@H+](C)CC1 75125274 571817001 /nfs/dbraw/zinc/81/70/01/571817001.db2.gz HDQRBHOCUGOJLI-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCCC[C@H]1CO 251583887 571822415 /nfs/dbraw/zinc/82/24/15/571822415.db2.gz NUNQAVOBQHVCBW-IUCAKERBSA-N 1 3 199.298 0.548 10 0 ACAEHO C[C@@H](NCCCCO)[C@H]1CC[NH2+]C1 400320172 571818370 /nfs/dbraw/zinc/81/83/70/571818370.db2.gz BMGSCQLQTPUJLB-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@H]([NH3+])CCCN1CCO[C@H](C)C1 251532133 571818649 /nfs/dbraw/zinc/81/86/49/571818649.db2.gz AJRWZYDIAMGGGG-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CCN(C)[C@H](C)C1 251808484 571818785 /nfs/dbraw/zinc/81/87/85/571818785.db2.gz OHZBVNPAIXHFBH-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO CCN1CC[C@@H]1CNc1[nH+]ccn1C 712562986 571819054 /nfs/dbraw/zinc/81/90/54/571819054.db2.gz QOSXQTWTWCAHQH-SECBINFHSA-N 1 3 194.282 0.926 10 0 ACAEHO COC1(CNCCC[NH3+])CCC1 234620029 571819832 /nfs/dbraw/zinc/81/98/32/571819832.db2.gz JKYXWVWKFIYCDM-UHFFFAOYSA-N 1 3 172.272 0.494 10 0 ACAEHO COC1(C[NH2+]CCCN)CCC1 234620029 571819835 /nfs/dbraw/zinc/81/98/35/571819835.db2.gz JKYXWVWKFIYCDM-UHFFFAOYSA-N 1 3 172.272 0.494 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCCC[C@H]1CO 251583883 571819984 /nfs/dbraw/zinc/81/99/84/571819984.db2.gz NUNQAVOBQHVCBW-BDAKNGLRSA-N 1 3 199.298 0.548 10 0 ACAEHO COC1(CN[C@H](C)C[NH3+])CCC1 234625993 571824716 /nfs/dbraw/zinc/82/47/16/571824716.db2.gz DYIOJOILMVAICE-MRVPVSSYSA-N 1 3 172.272 0.492 10 0 ACAEHO COCC[C@H]([NH3+])CN[C@@H]1C[C@H]1C 252117975 571824720 /nfs/dbraw/zinc/82/47/20/571824720.db2.gz KKZZJDAUIXCUHA-HRDYMLBCSA-N 1 3 172.272 0.348 10 0 ACAEHO CC[C@@H](CCN)[NH2+]C 113296829 571824791 /nfs/dbraw/zinc/82/47/91/571824791.db2.gz PRDYXXYQPMVENI-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO C[C@H]([NH3+])CCCN1CCOC[C@H]1C 251576062 571820309 /nfs/dbraw/zinc/82/03/09/571820309.db2.gz CEZWVWDDJOJNLC-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC1=CCN(CCOCC[NH3+])CC1 75423256 571820576 /nfs/dbraw/zinc/82/05/76/571820576.db2.gz PONCWFJNPHMLMV-UHFFFAOYSA-N 1 3 184.283 0.614 10 0 ACAEHO CCN1CC[C@H]1CNc1[nH+]ccn1C 712562989 571821387 /nfs/dbraw/zinc/82/13/87/571821387.db2.gz QOSXQTWTWCAHQH-VIFPVBQESA-N 1 3 194.282 0.926 10 0 ACAEHO C[C@H](NCCCCO)[C@@H]1CC[NH2+]C1 400320171 571821573 /nfs/dbraw/zinc/82/15/73/571821573.db2.gz BMGSCQLQTPUJLB-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO COCC[N@H+](C)C1(CN)CC(C)C1 234617486 571821765 /nfs/dbraw/zinc/82/17/65/571821765.db2.gz KIOCZHBFZYAZNZ-UHFFFAOYSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](NCCCCO)[C@H]1CC[NH2+]C1 400320170 571821768 /nfs/dbraw/zinc/82/17/68/571821768.db2.gz BMGSCQLQTPUJLB-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO COCC[N@@H+](C)C1(CN)CC(C)C1 234617486 571821770 /nfs/dbraw/zinc/82/17/70/571821770.db2.gz KIOCZHBFZYAZNZ-UHFFFAOYSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1CN([C@H](C)CCC[NH3+])CCO1 251545505 571821845 /nfs/dbraw/zinc/82/18/45/571821845.db2.gz AZBZSGLZARNOFW-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)[C@H](CN(C)C)NCC1C[NH2+]C1 710936083 571824222 /nfs/dbraw/zinc/82/42/22/571824222.db2.gz MDZUKAGLYDUWMW-NSHDSACASA-N 1 3 199.342 0.382 10 0 ACAEHO OC1(CNCC2C[NH2+]C2)CCCC1 710938594 571822745 /nfs/dbraw/zinc/82/27/45/571822745.db2.gz YBHGYQBWBMCKBZ-UHFFFAOYSA-N 1 3 184.283 0.101 10 0 ACAEHO OC1(C[NH2+]CC2CNC2)CCCC1 710938594 571822748 /nfs/dbraw/zinc/82/27/48/571822748.db2.gz YBHGYQBWBMCKBZ-UHFFFAOYSA-N 1 3 184.283 0.101 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCC[C@H]1CO 251705773 571823164 /nfs/dbraw/zinc/82/31/64/571823164.db2.gz XTOVITAKSWSQHZ-YUMQZZPRSA-N 1 3 185.271 0.158 10 0 ACAEHO COC[C@@](C)(C[NH3+])N1CC[C@H](C)C1 251767364 571823200 /nfs/dbraw/zinc/82/32/00/571823200.db2.gz UUHXBNYGYPNECI-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CN(C)CCC[NH2+][C@H]1CCCN(C)C1 76637899 571824379 /nfs/dbraw/zinc/82/43/79/571824379.db2.gz KDUFSPPLPAFHFJ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CN1CCC[C@H](NCCC[NH+](C)C)C1 76637899 571824383 /nfs/dbraw/zinc/82/43/83/571824383.db2.gz KDUFSPPLPAFHFJ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC(C)[C@@H](CN(C)C)NCC1C[NH2+]C1 710936076 571825166 /nfs/dbraw/zinc/82/51/66/571825166.db2.gz MDZUKAGLYDUWMW-LLVKDONJSA-N 1 3 199.342 0.382 10 0 ACAEHO CN(C)CCC[NH2+][C@@H]1CCCN(C)C1 76637900 571826530 /nfs/dbraw/zinc/82/65/30/571826530.db2.gz KDUFSPPLPAFHFJ-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN1CCC[C@@H](NCCC[NH+](C)C)C1 76637900 571826542 /nfs/dbraw/zinc/82/65/42/571826542.db2.gz KDUFSPPLPAFHFJ-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO COC1(CN[C@@H](C)C[NH3+])CCC1 234625325 571826632 /nfs/dbraw/zinc/82/66/32/571826632.db2.gz DYIOJOILMVAICE-QMMMGPOBSA-N 1 3 172.272 0.492 10 0 ACAEHO C[NH2+][C@H](C)CCN1CCN(C)C[C@@H]1C 234455255 571827319 /nfs/dbraw/zinc/82/73/19/571827319.db2.gz RPFFZOCOVKQUMR-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO COCC[C@H]([NH3+])CN[C@H]1C[C@H]1C 252117976 571827355 /nfs/dbraw/zinc/82/73/55/571827355.db2.gz KKZZJDAUIXCUHA-VGMNWLOBSA-N 1 3 172.272 0.348 10 0 ACAEHO C[C@@](CO)(C1CC1)N1CCC[NH2+]CC1 38117246 571829880 /nfs/dbraw/zinc/82/98/80/571829880.db2.gz NJWHIEGLUAJTDO-LLVKDONJSA-N 1 3 198.310 0.443 10 0 ACAEHO CC[N@H+](CCO)[C@H]1CCC[C@H]1CN 252412633 571831068 /nfs/dbraw/zinc/83/10/68/571831068.db2.gz AFHPQCMFYMXETL-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[N@@H+](CCO)[C@H]1CCC[C@H]1CN 252412633 571831070 /nfs/dbraw/zinc/83/10/70/571831070.db2.gz AFHPQCMFYMXETL-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+]C[C@H](O)CN(C)[C@H](C)C(C)C 252407807 571831864 /nfs/dbraw/zinc/83/18/64/571831864.db2.gz HWWHPIUBVGGVCT-ZJUUUORDSA-N 1 3 188.315 0.543 10 0 ACAEHO C[C@](CO)(C1CC1)N1CCC[NH2+]CC1 38117247 571831920 /nfs/dbraw/zinc/83/19/20/571831920.db2.gz NJWHIEGLUAJTDO-NSHDSACASA-N 1 3 198.310 0.443 10 0 ACAEHO C[NH2+]C[C@H](O)CN(C)[C@H](C)C1CC1 252410674 571833397 /nfs/dbraw/zinc/83/33/97/571833397.db2.gz LVCXBHSLJPHXRK-SCZZXKLOSA-N 1 3 186.299 0.297 10 0 ACAEHO CNC[C@H](O)C[N@@H+]1CCC[C@H]1C 252200425 571832846 /nfs/dbraw/zinc/83/28/46/571832846.db2.gz TXQTYBGWDIOPLX-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@H](O)C[N@H+]1CCC[C@H]1C 252200425 571832848 /nfs/dbraw/zinc/83/28/48/571832848.db2.gz TXQTYBGWDIOPLX-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@H]1CCCN(CCN(C)C)[C@H]1C[NH3+] 252222651 571832806 /nfs/dbraw/zinc/83/28/06/571832806.db2.gz ZLXQGOCYVMKRSE-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO C[NH2+]C[C@H](O)CN1CCC[C@H]1C 252200425 571832850 /nfs/dbraw/zinc/83/28/50/571832850.db2.gz TXQTYBGWDIOPLX-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO CC[NH2+]C[C@H](O)CN1CCC[C@H]1C 252412666 571833025 /nfs/dbraw/zinc/83/30/25/571833025.db2.gz AMVYVLWSTHHKMA-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CCNC[C@H](O)C[N@@H+]1CCC[C@H]1C 252412666 571833027 /nfs/dbraw/zinc/83/30/27/571833027.db2.gz AMVYVLWSTHHKMA-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CCNC[C@H](O)C[N@H+]1CCC[C@H]1C 252412666 571833032 /nfs/dbraw/zinc/83/30/32/571833032.db2.gz AMVYVLWSTHHKMA-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@H+](CCO)[C@@H]1CCC[C@H]1CN 252412634 571833061 /nfs/dbraw/zinc/83/30/61/571833061.db2.gz AFHPQCMFYMXETL-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[N@@H+](CCO)[C@@H]1CCC[C@H]1CN 252412634 571833066 /nfs/dbraw/zinc/83/30/66/571833066.db2.gz AFHPQCMFYMXETL-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CCCN(CCN(C)C)[C@H]1C[NH3+] 252222650 571833580 /nfs/dbraw/zinc/83/35/80/571833580.db2.gz ZLXQGOCYVMKRSE-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO CCNC[C@H](O)C[N@H+](C)[C@H](C)CC 252435273 571834945 /nfs/dbraw/zinc/83/49/45/571834945.db2.gz JBHXXOAWAKHHEW-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO CCNC[C@H](O)C[N@@H+](C)[C@H](C)CC 252435273 571834947 /nfs/dbraw/zinc/83/49/47/571834947.db2.gz JBHXXOAWAKHHEW-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[NH2+]C[C@H](O)CN(C)[C@H](C)CC 252435273 571834950 /nfs/dbraw/zinc/83/49/50/571834950.db2.gz JBHXXOAWAKHHEW-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO CCC[NH+]1CCC(N)(CO)CC1 38124440 571835631 /nfs/dbraw/zinc/83/56/31/571835631.db2.gz JYWGKDFAXGBHEF-UHFFFAOYSA-N 1 3 172.272 0.182 10 0 ACAEHO COC(C)(C)C[C@H](C[NH3+])NC1CC1 234634861 571836336 /nfs/dbraw/zinc/83/63/36/571836336.db2.gz NSPKLTMQQZJMIB-SECBINFHSA-N 1 3 186.299 0.881 10 0 ACAEHO CC[C@H]1C[NH2+]CCN1C[C@@H]1CCN1C 712570538 571838861 /nfs/dbraw/zinc/83/88/61/571838861.db2.gz RNJXCARUWFDEMS-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C)CN1C[C@@H]1CCN1C 712571083 571838907 /nfs/dbraw/zinc/83/89/07/571838907.db2.gz VQYNNVKFTGVAIV-VWYCJHECSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CCN1C 712569232 571839014 /nfs/dbraw/zinc/83/90/14/571839014.db2.gz JDZOKLCGEFOKBV-DCAQKATOSA-N 1 3 197.326 0.421 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C[C@H]2CCN2C)C1 712568888 571839210 /nfs/dbraw/zinc/83/92/10/571839210.db2.gz GSQFKMHQCSOONR-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CC[C@@H]1C[NH2+]CCN1C[C@@H]1CCN1C 712570537 571841733 /nfs/dbraw/zinc/84/17/33/571841733.db2.gz RNJXCARUWFDEMS-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1CCN1C 712569231 571839363 /nfs/dbraw/zinc/83/93/63/571839363.db2.gz JDZOKLCGEFOKBV-AXFHLTTASA-N 1 3 197.326 0.421 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCN2C)C1 712568897 571839408 /nfs/dbraw/zinc/83/94/08/571839408.db2.gz GSQFKMHQCSOONR-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1CCN1C 712569234 571839668 /nfs/dbraw/zinc/83/96/68/571839668.db2.gz JDZOKLCGEFOKBV-HBNTYKKESA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CCCOC1)C1CNC1 686225475 571839886 /nfs/dbraw/zinc/83/98/86/571839886.db2.gz KDXIPIQEDKCSHA-UWVGGRQHSA-N 1 3 198.310 0.611 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCN2C)C1 712568892 571839973 /nfs/dbraw/zinc/83/99/73/571839973.db2.gz GSQFKMHQCSOONR-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@H]1CN(C[C@@H]2CCN2C)CCC[NH2+]1 712568622 571840198 /nfs/dbraw/zinc/84/01/98/571840198.db2.gz COELIGRVLQKXQC-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]([NH2+]C[C@H]1CCCOC1)C1CNC1 686225473 571840199 /nfs/dbraw/zinc/84/01/99/571840199.db2.gz KDXIPIQEDKCSHA-NXEZZACHSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H](CN)C[NH2+]CC1CCC1 258805245 571840274 /nfs/dbraw/zinc/84/02/74/571840274.db2.gz RWQJNOKXENEKDN-QMMMGPOBSA-N 1 3 156.273 0.971 10 0 ACAEHO C[C@@H]1OCC[C@H]1C[NH2+]CC1(CN)CC1 235363358 571840284 /nfs/dbraw/zinc/84/02/84/571840284.db2.gz ZIEVWLQQUFYLEW-UWVGGRQHSA-N 1 3 198.310 0.740 10 0 ACAEHO C[C@@H]([NH2+]C[C@@H]1CCCOC1)C1CNC1 686225480 571840302 /nfs/dbraw/zinc/84/03/02/571840302.db2.gz KDXIPIQEDKCSHA-ZJUUUORDSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@H]1CN(C[C@H]2CCN2C)CCC[NH2+]1 712568627 571840590 /nfs/dbraw/zinc/84/05/90/571840590.db2.gz COELIGRVLQKXQC-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@@H]1C[NH2+]CCN1C[C@H]1CCN1C 712570536 571840610 /nfs/dbraw/zinc/84/06/10/571840610.db2.gz RNJXCARUWFDEMS-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO COC1CC(C[NH3+])(NC(C)C)C1 234639200 571840648 /nfs/dbraw/zinc/84/06/48/571840648.db2.gz SYNHYQLGQMDESH-UHFFFAOYSA-N 1 3 172.272 0.491 10 0 ACAEHO COC1CC(N(C)CCC[NH3+])C1 234641755 571840714 /nfs/dbraw/zinc/84/07/14/571840714.db2.gz ANHVVUXRLAXEPE-UHFFFAOYSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H]1CCN1C 712569233 571841258 /nfs/dbraw/zinc/84/12/58/571841258.db2.gz JDZOKLCGEFOKBV-GARJFASQSA-N 1 3 197.326 0.421 10 0 ACAEHO CN1CC[C@H]1CN1CC[NH2+]C(C)(C)C1 712571336 571840930 /nfs/dbraw/zinc/84/09/30/571840930.db2.gz WQUYTRYGNCXJHF-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@H]1C[NH2+]CCN1C[C@H]1CCN1C 712570539 571841373 /nfs/dbraw/zinc/84/13/73/571841373.db2.gz RNJXCARUWFDEMS-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCN2C)C1 712568895 571841461 /nfs/dbraw/zinc/84/14/61/571841461.db2.gz GSQFKMHQCSOONR-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CCCOC1)C1CNC1 686225477 571841618 /nfs/dbraw/zinc/84/16/18/571841618.db2.gz KDXIPIQEDKCSHA-VHSXEESVSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H]1CN(C[C@H]2CCN2C)CCC[NH2+]1 712568591 571841942 /nfs/dbraw/zinc/84/19/42/571841942.db2.gz COELIGRVLQKXQC-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CC[C@@H]1CN1CC[NH2+]C(C)(C)C1 712571338 571842056 /nfs/dbraw/zinc/84/20/56/571842056.db2.gz WQUYTRYGNCXJHF-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2CCN2C)CCC[NH2+]1 712568618 571842099 /nfs/dbraw/zinc/84/20/99/571842099.db2.gz COELIGRVLQKXQC-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO C1CC2(CC[NH2+]CC2)OCN1 143844127 571842584 /nfs/dbraw/zinc/84/25/84/571842584.db2.gz PMFDCRKKLAILOQ-UHFFFAOYSA-N 1 3 156.229 0.076 10 0 ACAEHO C[C@@H]1C[C@@H](NC[C@H]2CCN2C)CC[NH2+]1 712582080 571842603 /nfs/dbraw/zinc/84/26/03/571842603.db2.gz OOJQHWPOEJOBQA-OUAUKWLOSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)CCN1 712582080 571842605 /nfs/dbraw/zinc/84/26/05/571842605.db2.gz OOJQHWPOEJOBQA-OUAUKWLOSA-N 1 3 197.326 0.421 10 0 ACAEHO CNCC(C)(C)[NH2+]C[C@H]1CCCO1 259069816 571842673 /nfs/dbraw/zinc/84/26/73/571842673.db2.gz XDSFBFVJQKSXMN-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@H](NCCn1ccnc1)C1C[NH2+]C1 686225606 571842972 /nfs/dbraw/zinc/84/29/72/571842972.db2.gz NQQRMJLDKJFIKK-VIFPVBQESA-N 1 3 194.282 0.081 10 0 ACAEHO C[C@H]([NH2+]CCn1ccnc1)C1CNC1 686225606 571842973 /nfs/dbraw/zinc/84/29/73/571842973.db2.gz NQQRMJLDKJFIKK-VIFPVBQESA-N 1 3 194.282 0.081 10 0 ACAEHO N[C@H]1CCn2ccc(C[NH3+])c21 28344745 571842990 /nfs/dbraw/zinc/84/29/90/571842990.db2.gz KOMPAIQPDUUSOP-ZETCQYMHSA-N 1 3 151.213 0.350 10 0 ACAEHO C[C@@H]1C[C@H](NC[C@@H]2CCN2C)CC[NH2+]1 712582077 571843235 /nfs/dbraw/zinc/84/32/35/571843235.db2.gz OOJQHWPOEJOBQA-MXWKQRLJSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)CCN1 712582077 571843238 /nfs/dbraw/zinc/84/32/38/571843238.db2.gz OOJQHWPOEJOBQA-MXWKQRLJSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H]([NH2+]CC1CCOCC1)C1CNC1 686225607 571843427 /nfs/dbraw/zinc/84/34/27/571843427.db2.gz NQVPYLRXMZIXCT-SECBINFHSA-N 1 3 198.310 0.611 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CCC[C@@H]1CO 78797541 571848399 /nfs/dbraw/zinc/84/83/99/571848399.db2.gz RDPOUICJESDHNK-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO CN1CC[C@H](N(C)CCC(C)(C)[NH3+])C1 259029355 571844088 /nfs/dbraw/zinc/84/40/88/571844088.db2.gz ZNHNGHNCZLFHOE-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO N[C@@H]1CCn2ccc(C[NH3+])c21 28344737 571844201 /nfs/dbraw/zinc/84/42/01/571844201.db2.gz KOMPAIQPDUUSOP-SSDOTTSWSA-N 1 3 151.213 0.350 10 0 ACAEHO C[C@@H](NCCn1ccnc1)C1C[NH2+]C1 686225605 571844370 /nfs/dbraw/zinc/84/43/70/571844370.db2.gz NQQRMJLDKJFIKK-SECBINFHSA-N 1 3 194.282 0.081 10 0 ACAEHO C[C@@H]([NH2+]CCn1ccnc1)C1CNC1 686225605 571844374 /nfs/dbraw/zinc/84/43/74/571844374.db2.gz NQQRMJLDKJFIKK-SECBINFHSA-N 1 3 194.282 0.081 10 0 ACAEHO CC[C@@H]1C[C@@H](N2CC(C[NH3+])C2)CCO1 712576446 571845016 /nfs/dbraw/zinc/84/50/16/571845016.db2.gz YYXGBNVEUKPSEO-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@H]1C[C@@H](N2CC(C[NH3+])C2)CCO1 712576445 571845201 /nfs/dbraw/zinc/84/52/01/571845201.db2.gz YYXGBNVEUKPSEO-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@@H]1C[C@H](N2CC(C[NH3+])C2)CCO1 712576443 571845460 /nfs/dbraw/zinc/84/54/60/571845460.db2.gz YYXGBNVEUKPSEO-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([NH2+]CC1CCOCC1)C1CNC1 686225608 571845585 /nfs/dbraw/zinc/84/55/85/571845585.db2.gz NQVPYLRXMZIXCT-VIFPVBQESA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H]1C[C@@H](NC[C@@H]2CCN2C)CC[NH2+]1 712582082 571845688 /nfs/dbraw/zinc/84/56/88/571845688.db2.gz OOJQHWPOEJOBQA-VWYCJHECSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)CCN1 712582082 571845693 /nfs/dbraw/zinc/84/56/93/571845693.db2.gz OOJQHWPOEJOBQA-VWYCJHECSA-N 1 3 197.326 0.421 10 0 ACAEHO CC[C@H]1C[C@H](N2CC(C[NH3+])C2)CCO1 712576444 571845842 /nfs/dbraw/zinc/84/58/42/571845842.db2.gz YYXGBNVEUKPSEO-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO CNCC(C[NH2+]C)C(C)C 143926921 571846335 /nfs/dbraw/zinc/84/63/35/571846335.db2.gz ABNSJFOYUUEFII-UHFFFAOYSA-N 1 3 144.262 0.697 10 0 ACAEHO COCCN(C)CCn1cc[nH+]c1N 234647552 571846507 /nfs/dbraw/zinc/84/65/07/571846507.db2.gz KCBOTGKUAQRQFS-UHFFFAOYSA-N 1 3 198.270 0.044 10 0 ACAEHO C[N@@H+]1CC[C@@H]2CCNCC[C@@H]21 28545669 571846716 /nfs/dbraw/zinc/84/67/16/571846716.db2.gz DGIMMQFBTRQVHB-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CC[C@@H]2CCNCC[C@@H]21 28545669 571846721 /nfs/dbraw/zinc/84/67/21/571846721.db2.gz DGIMMQFBTRQVHB-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@@H]2CC[NH2+]CC[C@@H]21 28545669 571846727 /nfs/dbraw/zinc/84/67/27/571846727.db2.gz DGIMMQFBTRQVHB-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 712593742 571846962 /nfs/dbraw/zinc/84/69/62/571846962.db2.gz HVHAPJGEBHFHNG-OUAUKWLOSA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CC[C@@H]2C[NH2+]CCC[C@@H]21 28545673 571847320 /nfs/dbraw/zinc/84/73/20/571847320.db2.gz DBUVQLWQBDNVCD-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@@H+]1CC[C@@H]2CNCCC[C@@H]21 28545673 571847325 /nfs/dbraw/zinc/84/73/25/571847325.db2.gz DBUVQLWQBDNVCD-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CC[C@@H]2CNCCC[C@@H]21 28545673 571847328 /nfs/dbraw/zinc/84/73/28/571847328.db2.gz DBUVQLWQBDNVCD-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 712593741 571847923 /nfs/dbraw/zinc/84/79/23/571847923.db2.gz HVHAPJGEBHFHNG-HBNTYKKESA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H](CC[NH+](C)C)n1cnc(CN)c1 300718973 571848017 /nfs/dbraw/zinc/84/80/17/571848017.db2.gz BCFKPUKQGGPQJA-VIFPVBQESA-N 1 3 196.298 0.855 10 0 ACAEHO CN1CC[C@H]2C[NH2+]CCC[C@@H]21 28545674 571848105 /nfs/dbraw/zinc/84/81/05/571848105.db2.gz DBUVQLWQBDNVCD-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@@H+]1CC[C@H]2CNCCC[C@@H]21 28545674 571848109 /nfs/dbraw/zinc/84/81/09/571848109.db2.gz DBUVQLWQBDNVCD-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CC[C@H]2CNCCC[C@@H]21 28545674 571848112 /nfs/dbraw/zinc/84/81/12/571848112.db2.gz DBUVQLWQBDNVCD-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+](CCn1cnc(CN)c1)C1CC1 300718787 571848684 /nfs/dbraw/zinc/84/86/84/571848684.db2.gz AWJXIHVRUKAZSM-UHFFFAOYSA-N 1 3 194.282 0.436 10 0 ACAEHO C[N@@H+](CCn1cnc(CN)c1)C1CC1 300718787 571848686 /nfs/dbraw/zinc/84/86/86/571848686.db2.gz AWJXIHVRUKAZSM-UHFFFAOYSA-N 1 3 194.282 0.436 10 0 ACAEHO CN1CC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 712593740 571849541 /nfs/dbraw/zinc/84/95/41/571849541.db2.gz HVHAPJGEBHFHNG-GMTAPVOTSA-N 1 3 197.326 0.550 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@H](CC)C1N 38476024 571849584 /nfs/dbraw/zinc/84/95/84/571849584.db2.gz LWLLCCNPSZZONV-YUMQZZPRSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@H]1CNC[C@H](CC)C1[NH3+] 38476024 571849589 /nfs/dbraw/zinc/84/95/89/571849589.db2.gz LWLLCCNPSZZONV-YUMQZZPRSA-N 1 3 156.273 0.969 10 0 ACAEHO C[N@@H+]1CC[C@H]2CCNCC[C@@H]21 28545670 571849693 /nfs/dbraw/zinc/84/96/93/571849693.db2.gz DGIMMQFBTRQVHB-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CC[C@H]2CCNCC[C@@H]21 28545670 571849696 /nfs/dbraw/zinc/84/96/96/571849696.db2.gz DGIMMQFBTRQVHB-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@H]2CC[NH2+]CC[C@@H]21 28545670 571849697 /nfs/dbraw/zinc/84/96/97/571849697.db2.gz DGIMMQFBTRQVHB-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1CNCC2(CC[NH+](C)CC2)O1 28521481 571849725 /nfs/dbraw/zinc/84/97/25/571849725.db2.gz NJHHMXWRSMUMRH-VIFPVBQESA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1CNCC2(CC[NH+](C)CC2)O1 28521479 571849737 /nfs/dbraw/zinc/84/97/37/571849737.db2.gz NJHHMXWRSMUMRH-SECBINFHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1CC(C)(C)NCC[NH2+]1 38497983 571849835 /nfs/dbraw/zinc/84/98/35/571849835.db2.gz HJTAHWRHJPFFTK-SSDOTTSWSA-N 1 3 142.246 0.736 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CCC[C@@H]1CO 78797545 571849864 /nfs/dbraw/zinc/84/98/64/571849864.db2.gz RDPOUICJESDHNK-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H]1CC(C)(C)NCC[NH2+]1 38497985 571850061 /nfs/dbraw/zinc/85/00/61/571850061.db2.gz HJTAHWRHJPFFTK-ZETCQYMHSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@@H](CC)C1N 38476025 571850140 /nfs/dbraw/zinc/85/01/40/571850140.db2.gz LWLLCCNPSZZONV-HTQZYQBOSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@@H]1CNC[C@@H](CC)C1[NH3+] 38476025 571850141 /nfs/dbraw/zinc/85/01/41/571850141.db2.gz LWLLCCNPSZZONV-HTQZYQBOSA-N 1 3 156.273 0.969 10 0 ACAEHO C=C=CCNC/C=C\C[NH3+] 144227312 571852914 /nfs/dbraw/zinc/85/29/14/571852914.db2.gz GVKYRHBIICNEAF-PLNGDYQASA-N 1 3 138.214 0.432 10 0 ACAEHO CCC(CC)(CN)C[NH3+] 5964832 571854020 /nfs/dbraw/zinc/85/40/20/571854020.db2.gz SDIOBNKHLKIWOP-UHFFFAOYSA-N 1 3 130.235 0.710 10 0 ACAEHO CC(C)[C@@H]1COC[C@@H]1N[C@H](C)C[NH3+] 710998041 571855100 /nfs/dbraw/zinc/85/51/00/571855100.db2.gz KCSRCMRBTRSBPA-UTLUCORTSA-N 1 3 186.299 0.594 10 0 ACAEHO Cc1nc(CCN(C)C)ncc1C[NH3+] 300722778 571855976 /nfs/dbraw/zinc/85/59/76/571855976.db2.gz DJMPYLPBJNLZGN-UHFFFAOYSA-N 1 3 194.282 0.348 10 0 ACAEHO C[C@H]1C[C@@H](C)[N@H+](C)CCN1 38864530 571859603 /nfs/dbraw/zinc/85/96/03/571859603.db2.gz CSWUIXDASZEZCX-JGVFFNPUSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@H]1C[C@@H](C)[N@@H+](C)CCN1 38864530 571859605 /nfs/dbraw/zinc/85/96/05/571859605.db2.gz CSWUIXDASZEZCX-JGVFFNPUSA-N 1 3 142.246 0.689 10 0 ACAEHO [NH3+]C[C@H]1[C@@H]2CN(c3ccncc3)C[C@H]12 250182190 571856689 /nfs/dbraw/zinc/85/66/89/571856689.db2.gz RENLFECPYWRPBK-RTCCRHLQSA-N 1 3 189.262 0.723 10 0 ACAEHO C[C@H](Cn1cnc(CN)c1)[NH+](C)C 300723941 571857534 /nfs/dbraw/zinc/85/75/34/571857534.db2.gz DXZLPTPQFFBNGC-MRVPVSSYSA-N 1 3 182.271 0.292 10 0 ACAEHO C[C@@H](Cn1cnc(CN)c1)[NH+](C)C 300723942 571857946 /nfs/dbraw/zinc/85/79/46/571857946.db2.gz DXZLPTPQFFBNGC-QMMMGPOBSA-N 1 3 182.271 0.292 10 0 ACAEHO C[NH+](C)C(C)(C)Cn1cnc(CN)c1 300727377 571859115 /nfs/dbraw/zinc/85/91/15/571859115.db2.gz GOFKNWMKVYFKAG-UHFFFAOYSA-N 1 3 196.298 0.682 10 0 ACAEHO C[C@H]1C[C@@H](C)NCC[N@H+]1C 38864522 571860169 /nfs/dbraw/zinc/86/01/69/571860169.db2.gz CSWUIXDASZEZCX-SFYZADRCSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@H]1C[C@@H](C)NCC[N@@H+]1C 38864522 571860171 /nfs/dbraw/zinc/86/01/71/571860171.db2.gz CSWUIXDASZEZCX-SFYZADRCSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@H+](C)CCN1 38864528 571860223 /nfs/dbraw/zinc/86/02/23/571860223.db2.gz CSWUIXDASZEZCX-HTQZYQBOSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@@H+](C)CCN1 38864528 571860226 /nfs/dbraw/zinc/86/02/26/571860226.db2.gz CSWUIXDASZEZCX-HTQZYQBOSA-N 1 3 142.246 0.689 10 0 ACAEHO CC[C@@H]1CN(C2(C[NH3+])CC2)CCN1C 233937518 571860437 /nfs/dbraw/zinc/86/04/37/571860437.db2.gz WRPSFRNWWDVPJL-SNVBAGLBSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@H](C)[N@@H+](C)CCN1 38864525 571861249 /nfs/dbraw/zinc/86/12/49/571861249.db2.gz CSWUIXDASZEZCX-YUMQZZPRSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@H]1C[C@H](C)[N@H+](C)CCN1 38864525 571861247 /nfs/dbraw/zinc/86/12/47/571861247.db2.gz CSWUIXDASZEZCX-YUMQZZPRSA-N 1 3 142.246 0.689 10 0 ACAEHO COC1CC([NH2+]CCCN)C1 234661796 571862831 /nfs/dbraw/zinc/86/28/31/571862831.db2.gz QWTYAFJXBZYBDE-UHFFFAOYSA-N 1 3 158.245 0.102 10 0 ACAEHO COC1CC(NCCC[NH3+])C1 234661796 571862832 /nfs/dbraw/zinc/86/28/32/571862832.db2.gz QWTYAFJXBZYBDE-UHFFFAOYSA-N 1 3 158.245 0.102 10 0 ACAEHO C[NH+](C)CCOCCNCCF 234246954 571862863 /nfs/dbraw/zinc/86/28/63/571862863.db2.gz SLCDIVAZCIRZJH-UHFFFAOYSA-N 1 3 178.251 0.124 10 0 ACAEHO NCc1cc(F)c(C[NH3+])cc1F 144659612 571866009 /nfs/dbraw/zinc/86/60/09/571866009.db2.gz UXZWYTJDDGRWCE-UHFFFAOYSA-N 1 3 172.178 0.882 10 0 ACAEHO COC1(C[N@@H+]2CC[C@H](CN)C2)CCC1 234656643 571863124 /nfs/dbraw/zinc/86/31/24/571863124.db2.gz FEZSNAZTWAXCBM-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO COC1(C[N@H+]2CC[C@H](CN)C2)CCC1 234656643 571863127 /nfs/dbraw/zinc/86/31/27/571863127.db2.gz FEZSNAZTWAXCBM-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO COC1(C[N@@H+]2CC[C@@H](CN)C2)CCC1 234655579 571863485 /nfs/dbraw/zinc/86/34/85/571863485.db2.gz FEZSNAZTWAXCBM-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO COC1(C[N@H+]2CC[C@@H](CN)C2)CCC1 234655579 571863489 /nfs/dbraw/zinc/86/34/89/571863489.db2.gz FEZSNAZTWAXCBM-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO COC1CC(NC[C@@H]([NH3+])C(C)C)C1 234665464 571867579 /nfs/dbraw/zinc/86/75/79/571867579.db2.gz YGRWZIDJLHXUJX-UDNWOFFPSA-N 1 3 186.299 0.737 10 0 ACAEHO CC[N@H+](C)CCn1cnc(CN)c1 300735141 571864013 /nfs/dbraw/zinc/86/40/13/571864013.db2.gz KSTNCLJREGBASM-UHFFFAOYSA-N 1 3 182.271 0.294 10 0 ACAEHO CC[N@@H+](C)CCn1cnc(CN)c1 300735141 571864016 /nfs/dbraw/zinc/86/40/16/571864016.db2.gz KSTNCLJREGBASM-UHFFFAOYSA-N 1 3 182.271 0.294 10 0 ACAEHO CNCc1cn([C@H](C)C[NH+](C)C)cn1 300735470 571864433 /nfs/dbraw/zinc/86/44/33/571864433.db2.gz KXJQUXSUVWVQKP-SECBINFHSA-N 1 3 196.298 0.725 10 0 ACAEHO CCN1C[C@H](C)N(C)[C@@H](CC[NH3+])C1 250189444 571864598 /nfs/dbraw/zinc/86/45/98/571864598.db2.gz ADIVYGWMGCEQGX-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CNCc1cn([C@@H](C)C[NH+](C)C)cn1 300735471 571865061 /nfs/dbraw/zinc/86/50/61/571865061.db2.gz KXJQUXSUVWVQKP-VIFPVBQESA-N 1 3 196.298 0.725 10 0 ACAEHO CCN1C[C@H](CC[NH3+])N(C)[C@H](C)C1 250189446 571865755 /nfs/dbraw/zinc/86/57/55/571865755.db2.gz ADIVYGWMGCEQGX-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO COC1CC(NCCC(C)(C)[NH3+])C1 234660433 571866292 /nfs/dbraw/zinc/86/62/92/571866292.db2.gz UXZWXBYRYDNEBS-UHFFFAOYSA-N 1 3 186.299 0.881 10 0 ACAEHO COC1CC(NCC(C)(C)[NH3+])C1 234659040 571867387 /nfs/dbraw/zinc/86/73/87/571867387.db2.gz DDPQBTLGZNKUJG-UHFFFAOYSA-N 1 3 172.272 0.491 10 0 ACAEHO COC1CC([NH2+]CC(C)(C)CN)C1 234658986 571867454 /nfs/dbraw/zinc/86/74/54/571867454.db2.gz JNPRAWIXNJLSKM-UHFFFAOYSA-N 1 3 186.299 0.738 10 0 ACAEHO COC1CC(NCC(C)(C)C[NH3+])C1 234658986 571867460 /nfs/dbraw/zinc/86/74/60/571867460.db2.gz JNPRAWIXNJLSKM-UHFFFAOYSA-N 1 3 186.299 0.738 10 0 ACAEHO COC1CC(NC[C@H]([NH3+])C(C)C)C1 234667010 571867477 /nfs/dbraw/zinc/86/74/77/571867477.db2.gz YGRWZIDJLHXUJX-RTBKNWGFSA-N 1 3 186.299 0.737 10 0 ACAEHO COC1CC([NH2+]C[C@@H](C)CN)C1 234665028 571867863 /nfs/dbraw/zinc/86/78/63/571867863.db2.gz RDNRXXXRMDAJIY-UEJVZZJDSA-N 1 3 172.272 0.348 10 0 ACAEHO COC1CC(NC[C@@H](C)C[NH3+])C1 234665028 571867864 /nfs/dbraw/zinc/86/78/64/571867864.db2.gz RDNRXXXRMDAJIY-UEJVZZJDSA-N 1 3 172.272 0.348 10 0 ACAEHO COC1CC([NH2+]C[C@H](C)CN)C1 234666727 571868068 /nfs/dbraw/zinc/86/80/68/571868068.db2.gz RDNRXXXRMDAJIY-AFPNSQJFSA-N 1 3 172.272 0.348 10 0 ACAEHO COC1CC(NC[C@H](C)C[NH3+])C1 234666727 571868072 /nfs/dbraw/zinc/86/80/72/571868072.db2.gz RDNRXXXRMDAJIY-AFPNSQJFSA-N 1 3 172.272 0.348 10 0 ACAEHO C[C@H]([C@H]1CCC[NH2+]C1)N1CC[C@H](O)C1 711024217 571868194 /nfs/dbraw/zinc/86/81/94/571868194.db2.gz XPHWECSUACPOAT-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C1C[NH2+][C@H]2[C@@H]3CC[C@@H](NC3)[C@H]2C1 38995810 571869396 /nfs/dbraw/zinc/86/93/96/571869396.db2.gz IEJNNUQCDKLCGR-KYXWUPHJSA-N 1 3 166.268 0.736 10 0 ACAEHO COC1CC(NCC[C@@H](C)[NH3+])C1 234663927 571871290 /nfs/dbraw/zinc/87/12/90/571871290.db2.gz QAEMHUMQQNLZKO-AFPNSQJFSA-N 1 3 172.272 0.491 10 0 ACAEHO CC[C@H]([NH2+]C[C@@H](C)CN)[C@H](C)O 386939334 571871245 /nfs/dbraw/zinc/87/12/45/571871245.db2.gz VLAYHPUYQKBAJM-CIUDSAMLSA-N 1 3 174.288 0.330 10 0 ACAEHO CC[C@H]([NH2+]C[C@@H](C)CN)[C@@H](C)O 386939338 571872032 /nfs/dbraw/zinc/87/20/32/571872032.db2.gz VLAYHPUYQKBAJM-YIZRAAEISA-N 1 3 174.288 0.330 10 0 ACAEHO COC(C)(C)[C@H](C)[NH2+]CCCN 300749235 571874390 /nfs/dbraw/zinc/87/43/90/571874390.db2.gz FPENJVWGMIUMDF-QMMMGPOBSA-N 1 3 174.288 0.738 10 0 ACAEHO COC(C)(C)[C@H](C)NCCC[NH3+] 300749235 571874394 /nfs/dbraw/zinc/87/43/94/571874394.db2.gz FPENJVWGMIUMDF-QMMMGPOBSA-N 1 3 174.288 0.738 10 0 ACAEHO COC(C)(C)[C@@H](C)[NH2+]CCCN 300749234 571874440 /nfs/dbraw/zinc/87/44/40/571874440.db2.gz FPENJVWGMIUMDF-MRVPVSSYSA-N 1 3 174.288 0.738 10 0 ACAEHO COC(C)(C)[C@@H](C)NCCC[NH3+] 300749234 571874442 /nfs/dbraw/zinc/87/44/42/571874442.db2.gz FPENJVWGMIUMDF-MRVPVSSYSA-N 1 3 174.288 0.738 10 0 ACAEHO C[N@H+](CCCO)[C@@H]1CCC[C@H]1N 300744227 571876068 /nfs/dbraw/zinc/87/60/68/571876068.db2.gz BYGXAQFBMUUKAG-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCCO)[C@@H]1CCC[C@H]1N 300744227 571876069 /nfs/dbraw/zinc/87/60/69/571876069.db2.gz BYGXAQFBMUUKAG-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@H+](CCCO)[C@H]1CCC[C@@H]1N 300744225 571876133 /nfs/dbraw/zinc/87/61/33/571876133.db2.gz BYGXAQFBMUUKAG-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCCO)[C@H]1CCC[C@@H]1N 300744225 571876138 /nfs/dbraw/zinc/87/61/38/571876138.db2.gz BYGXAQFBMUUKAG-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@H](CCN)[N@@H+](C)CCCO 300752562 571878805 /nfs/dbraw/zinc/87/88/05/571878805.db2.gz HZUGZPBTZNRCEB-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)CCCO 300752562 571878806 /nfs/dbraw/zinc/87/88/06/571878806.db2.gz HZUGZPBTZNRCEB-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO C[N@H+](CCCO)[C@H]1CCC[C@H]1N 300744221 571876877 /nfs/dbraw/zinc/87/68/77/571876877.db2.gz BYGXAQFBMUUKAG-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCCO)[C@H]1CCC[C@H]1N 300744221 571876879 /nfs/dbraw/zinc/87/68/79/571876879.db2.gz BYGXAQFBMUUKAG-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO COC1CC(NCC2([NH3+])CCC2)C1 234679771 571877296 /nfs/dbraw/zinc/87/72/96/571877296.db2.gz NKGYGWGCDDKWSC-UHFFFAOYSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H](C[NH+](C)C)n1cnc(CN)c1 300743628 571877456 /nfs/dbraw/zinc/87/74/56/571877456.db2.gz OGDDWXZMDOMISG-MRVPVSSYSA-N 1 3 182.271 0.464 10 0 ACAEHO COC1CC([NH2+]CC(C)=C2CNC2)C1 234679129 571877695 /nfs/dbraw/zinc/87/76/95/571877695.db2.gz AUPBIZLFRDWYDP-UHFFFAOYSA-N 1 3 196.294 0.673 10 0 ACAEHO COC1CC([NH2+]CC2(CN)CCC2)C1 234679502 571877933 /nfs/dbraw/zinc/87/79/33/571877933.db2.gz IFPRCEJFFUTPCS-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO COC1CC(NCC2(C[NH3+])CCC2)C1 234679502 571877936 /nfs/dbraw/zinc/87/79/36/571877936.db2.gz IFPRCEJFFUTPCS-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[N@H+](C)CCn1cnc(CNC)c1 300750103 571877938 /nfs/dbraw/zinc/87/79/38/571877938.db2.gz QVYQLHQYBKFFGP-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO CC[N@@H+](C)CCn1cnc(CNC)c1 300750103 571877942 /nfs/dbraw/zinc/87/79/42/571877942.db2.gz QVYQLHQYBKFFGP-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO COC1CC([NH2+]CCNCC2CC2)C1 234682464 571878305 /nfs/dbraw/zinc/87/83/05/571878305.db2.gz JKEFFKMHJZASRN-UHFFFAOYSA-N 1 3 198.310 0.753 10 0 ACAEHO NC(=[NH2+])NN=C(N)Nc1ccccc1 6884821 571878693 /nfs/dbraw/zinc/87/86/93/571878693.db2.gz RPIZWEMWMLPQQA-UHFFFAOYSA-N 1 3 192.226 0.021 10 0 ACAEHO CC[C@H](CCN)[N@H+](C)CCCO 300752562 571878802 /nfs/dbraw/zinc/87/88/02/571878802.db2.gz HZUGZPBTZNRCEB-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CC(C)[N@H+](C)CCn1cnc(CN)c1 300752580 571879407 /nfs/dbraw/zinc/87/94/07/571879407.db2.gz RZRRAEFNAKNCPY-UHFFFAOYSA-N 1 3 196.298 0.682 10 0 ACAEHO CC(C)[N@@H+](C)CCn1cnc(CN)c1 300752580 571879410 /nfs/dbraw/zinc/87/94/10/571879410.db2.gz RZRRAEFNAKNCPY-UHFFFAOYSA-N 1 3 196.298 0.682 10 0 ACAEHO C[NH+](C)CCCCn1cnc(CN)c1 300752253 571879434 /nfs/dbraw/zinc/87/94/34/571879434.db2.gz RYIPBKZZRZMKKQ-UHFFFAOYSA-N 1 3 196.298 0.684 10 0 ACAEHO COC1CC(NCC[C@@H]([NH3+])C2CC2)C1 234683138 571879495 /nfs/dbraw/zinc/87/94/95/571879495.db2.gz DTPIEWXLWQHGON-VQXHTEKXSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC(NCC[C@H]([NH3+])C2CC2)C1 234683709 571879596 /nfs/dbraw/zinc/87/95/96/571879596.db2.gz DTPIEWXLWQHGON-ILDUYXDCSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC(NCC[C@@H]2CCC[NH2+]2)C1 234683289 571879866 /nfs/dbraw/zinc/87/98/66/571879866.db2.gz DVKKZJQUFVMYGT-WHXUTIOJSA-N 1 3 198.310 0.896 10 0 ACAEHO 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/nfs/dbraw/zinc/88/18/85/571881885.db2.gz AKSYZTQIDGQHLA-NXEZZACHSA-N 1 3 186.299 0.284 10 0 ACAEHO CC(C)[C@H](O)C[N@@H+]1CC[C@H](CN)C1 300755566 571881881 /nfs/dbraw/zinc/88/18/81/571881881.db2.gz AKSYZTQIDGQHLA-NXEZZACHSA-N 1 3 186.299 0.284 10 0 ACAEHO C[N@@H+]1CC2=C(CNCC2)C1 39078360 571882132 /nfs/dbraw/zinc/88/21/32/571882132.db2.gz KDOBRTOJKZDVPR-UHFFFAOYSA-N 1 3 138.214 0.222 10 0 ACAEHO C[N@H+]1CC2=C(CNCC2)C1 39078360 571882134 /nfs/dbraw/zinc/88/21/34/571882134.db2.gz KDOBRTOJKZDVPR-UHFFFAOYSA-N 1 3 138.214 0.222 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CC[C@](C)(O)C1 300027016 571882347 /nfs/dbraw/zinc/88/23/47/571882347.db2.gz AUWAIULKVPEYGG-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CO[C@H]1CCN([C@](C)(C[NH3+])C2CC2)C1 300039744 571882385 /nfs/dbraw/zinc/88/23/85/571882385.db2.gz HVMSNGGJEMVMAP-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CC[C@](C)(O)C1 300027017 571882439 /nfs/dbraw/zinc/88/24/39/571882439.db2.gz AUWAIULKVPEYGG-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 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571883037 /nfs/dbraw/zinc/88/30/37/571883037.db2.gz GLVDGTQSTMVECX-NXEZZACHSA-N 1 3 184.283 0.444 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CC[C@H](OC)C1 300040622 571883174 /nfs/dbraw/zinc/88/31/74/571883174.db2.gz JOHNWIFXYBXFCQ-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO CO[C@H]1CCN(CC[C@H](C)[NH3+])C1 300039414 571883301 /nfs/dbraw/zinc/88/33/01/571883301.db2.gz GYKIGGIZGVCCEB-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CC[C@@](C)(O)C1 300027014 571883316 /nfs/dbraw/zinc/88/33/16/571883316.db2.gz AUWAIULKVPEYGG-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CO[C@@H]1CC[N@H+](C[C@H](N)C2CC2)C1 300039134 571883390 /nfs/dbraw/zinc/88/33/90/571883390.db2.gz GLVDGTQSTMVECX-ZJUUUORDSA-N 1 3 184.283 0.444 10 0 ACAEHO CO[C@@H]1CC[N@@H+](C[C@H](N)C2CC2)C1 300039134 571883393 /nfs/dbraw/zinc/88/33/93/571883393.db2.gz GLVDGTQSTMVECX-ZJUUUORDSA-N 1 3 184.283 0.444 10 0 ACAEHO CO[C@@H]1CCN([C@@](C)(C[NH3+])C2CC2)C1 300039743 571883504 /nfs/dbraw/zinc/88/35/04/571883504.db2.gz 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/nfs/dbraw/zinc/88/64/88/571886488.db2.gz JTTJEBFRCUXVBX-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO CO[C@@H]1CCN(CCC2([NH3+])CCC2)C1 300043093 571886501 /nfs/dbraw/zinc/88/65/01/571886501.db2.gz UQEMZXUDHMMTJT-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CCOC[C@H](C)[N@@H+]1C[C@H](C)[C@H](N)C1 300050287 571886650 /nfs/dbraw/zinc/88/66/50/571886650.db2.gz YHKYWSQGGIUQTQ-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO CCOC[C@H](C)[N@H+]1C[C@H](C)[C@H](N)C1 300050287 571886651 /nfs/dbraw/zinc/88/66/51/571886651.db2.gz YHKYWSQGGIUQTQ-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@@H]1CCN([C@H](C)CC[NH3+])C1 300042377 571887087 /nfs/dbraw/zinc/88/70/87/571887087.db2.gz PBJAIPOMYHGNNV-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H]1N1CC[C@H](OC)C1 300046409 571887361 /nfs/dbraw/zinc/88/73/61/571887361.db2.gz UWCYXKVVLXOAHG-DCAQKATOSA-N 1 3 198.310 0.705 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H]1N1CC[C@H](OC)C1 300046410 571887475 /nfs/dbraw/zinc/88/74/75/571887475.db2.gz 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CN(CCO)Cc1cccc(C[NH3+])c1 31935008 571887714 /nfs/dbraw/zinc/88/77/14/571887714.db2.gz PMVBJLHRYUGBTR-UHFFFAOYSA-N 1 3 194.278 0.569 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)CN)C1 300045596 571887798 /nfs/dbraw/zinc/88/77/98/571887798.db2.gz MEFNYNYBUCSUIV-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)CN)C1 300045596 571887800 /nfs/dbraw/zinc/88/78/00/571887800.db2.gz MEFNYNYBUCSUIV-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@H]1CCN(C[C@H](C)C[NH3+])C1 300042873 571887813 /nfs/dbraw/zinc/88/78/13/571887813.db2.gz SNJKLJFSDGKIFC-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@H](CCCO)NC1(C[NH3+])CC1 235411923 571888004 /nfs/dbraw/zinc/88/80/04/571888004.db2.gz WEZMGWFPFRUMME-MRVPVSSYSA-N 1 3 172.272 0.228 10 0 ACAEHO COC1CC(NC[C@@H]2CC[NH2+][C@@H]2C)C1 234689498 571888190 /nfs/dbraw/zinc/88/81/90/571888190.db2.gz FQRMBHMGZDAPTP-MFQSTILNSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC(NC[C@@H]2CC[NH2+]C2)C1 234689400 571888215 /nfs/dbraw/zinc/88/82/15/571888215.db2.gz FXDXHJOOEVCOSF-XNWIYYODSA-N 1 3 184.283 0.363 10 0 ACAEHO COC1CC(NC[C@@H]2CCC[NH2+]C2)C1 234688650 571888564 /nfs/dbraw/zinc/88/85/64/571888564.db2.gz HAVAUERCVHKKFU-KPPDAEKUSA-N 1 3 198.310 0.753 10 0 ACAEHO COC1CC([NH2+]C[C@@H]2CCCNC2)C1 234688650 571888567 /nfs/dbraw/zinc/88/85/67/571888567.db2.gz HAVAUERCVHKKFU-KPPDAEKUSA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@@H]1C[C@H]1NC[C@@H](C)[NH3+] 233952758 571888631 /nfs/dbraw/zinc/88/86/31/571888631.db2.gz OTOXULWYNFFWEG-BWZBUEFSSA-N 1 3 142.246 0.722 10 0 ACAEHO Nc1nccn1[C@@H]1CC[N@@H+]2CCC[C@H]12 300050674 571889199 /nfs/dbraw/zinc/88/91/99/571889199.db2.gz IOQMDVUZUHYYMS-RKDXNWHRSA-N 1 3 192.266 0.875 10 0 ACAEHO Nc1nccn1[C@@H]1CC[N@H+]2CCC[C@H]12 300050674 571889201 /nfs/dbraw/zinc/88/92/01/571889201.db2.gz IOQMDVUZUHYYMS-RKDXNWHRSA-N 1 3 192.266 0.875 10 0 ACAEHO COC1CC(NC[C@@]2(C)CC[NH2+]C2)C1 234691635 571892499 /nfs/dbraw/zinc/89/24/99/571892499.db2.gz NOMITUVJXWTVDW-ILDUYXDCSA-N 1 3 198.310 0.753 10 0 ACAEHO COC1CC(NC[C@@H]2C[NH2+]C[C@@H]2C)C1 234690356 571889473 /nfs/dbraw/zinc/88/94/73/571889473.db2.gz BOIZPKXAIUUKBY-SAAXCQNUSA-N 1 3 198.310 0.609 10 0 ACAEHO CC1(C)[C@H]2CC[C@](N)(C2)[C@H]1[NH3+] 39111677 571889691 /nfs/dbraw/zinc/88/96/91/571889691.db2.gz QBNSDCDYOGZSDP-ZKWXMUAHSA-N 1 3 154.257 0.851 10 0 ACAEHO CN(C)CCOC1C[C@@H]2CC[C@H](C1)[NH2+]2 300760640 571892603 /nfs/dbraw/zinc/89/26/03/571892603.db2.gz NKMSTNWVJHFVMP-ZACCUICWSA-N 1 3 198.310 0.848 10 0 ACAEHO Nc1nccn1[C@H]1CC[N@@H+]2CCC[C@H]12 300050673 571889988 /nfs/dbraw/zinc/88/99/88/571889988.db2.gz IOQMDVUZUHYYMS-BDAKNGLRSA-N 1 3 192.266 0.875 10 0 ACAEHO Nc1nccn1[C@H]1CC[N@H+]2CCC[C@H]12 300050673 571889992 /nfs/dbraw/zinc/88/99/92/571889992.db2.gz IOQMDVUZUHYYMS-BDAKNGLRSA-N 1 3 192.266 0.875 10 0 ACAEHO COC1CC(NC[C@@H]2CC[NH2+][C@H]2C)C1 234689568 571891079 /nfs/dbraw/zinc/89/10/79/571891079.db2.gz FQRMBHMGZDAPTP-SAAXCQNUSA-N 1 3 198.310 0.751 10 0 ACAEHO CC[NH2+][C@H](C)[C@H](O)[C@H]1CCCCN1 300056141 571891538 /nfs/dbraw/zinc/89/15/38/571891538.db2.gz KNSCYOICIZELKP-BBBLOLIVSA-N 1 3 186.299 0.487 10 0 ACAEHO CCN[C@H](C)[C@H](O)[C@H]1CCCC[NH2+]1 300056141 571891541 /nfs/dbraw/zinc/89/15/41/571891541.db2.gz KNSCYOICIZELKP-BBBLOLIVSA-N 1 3 186.299 0.487 10 0 ACAEHO C[Si]1(C)CC[C@H](N)[C@H]([NH3+])C1 196394523 571891918 /nfs/dbraw/zinc/89/19/18/571891918.db2.gz ZKFFIPOVKHQHNV-NKWVEPMBSA-N 1 3 158.321 0.753 10 0 ACAEHO COC1CC([NH2+]C[C@@](C)(N)C2CC2)C1 234691256 571891953 /nfs/dbraw/zinc/89/19/53/571891953.db2.gz MUIGKIVDZFRIFJ-VQXHTEKXSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC(NC[C@@](C)([NH3+])C2CC2)C1 234691256 571891954 /nfs/dbraw/zinc/89/19/54/571891954.db2.gz MUIGKIVDZFRIFJ-VQXHTEKXSA-N 1 3 198.310 0.881 10 0 ACAEHO [NH3+]C[C@]1(NCCO)C[C@H]2CC[C@H](C2)C1 711091464 571892255 /nfs/dbraw/zinc/89/22/55/571892255.db2.gz VBDBYNKGQKEGNK-JGPRNRPPSA-N 1 3 198.310 0.476 10 0 ACAEHO CC[NH2+][C@H](C)[C@@H](O)[C@H]1CCCCN1 300056142 571893194 /nfs/dbraw/zinc/89/31/94/571893194.db2.gz KNSCYOICIZELKP-OPRDCNLKSA-N 1 3 186.299 0.487 10 0 ACAEHO CCN[C@H](C)[C@@H](O)[C@H]1CCCC[NH2+]1 300056142 571893196 /nfs/dbraw/zinc/89/31/96/571893196.db2.gz KNSCYOICIZELKP-OPRDCNLKSA-N 1 3 186.299 0.487 10 0 ACAEHO [NH3+]C[C@@]1(NCCO)C[C@H]2CC[C@H](C2)C1 711091465 571893860 /nfs/dbraw/zinc/89/38/60/571893860.db2.gz VBDBYNKGQKEGNK-URLYPYJESA-N 1 3 198.310 0.476 10 0 ACAEHO COC[C@@H]1CCCN(CC2C[NH2+]C2)C1 234694284 571894272 /nfs/dbraw/zinc/89/42/72/571894272.db2.gz XLKFQIOJKPDSSH-SNVBAGLBSA-N 1 3 198.310 0.564 10 0 ACAEHO COC[C@@H]1CCC[N@H+](CC2CNC2)C1 234694284 571894275 /nfs/dbraw/zinc/89/42/75/571894275.db2.gz XLKFQIOJKPDSSH-SNVBAGLBSA-N 1 3 198.310 0.564 10 0 ACAEHO COC[C@@H]1CCC[N@@H+](CC2CNC2)C1 234694284 571894278 /nfs/dbraw/zinc/89/42/78/571894278.db2.gz XLKFQIOJKPDSSH-SNVBAGLBSA-N 1 3 198.310 0.564 10 0 ACAEHO CCNCNCCC[NH+](C)C 39081237 571895737 /nfs/dbraw/zinc/89/57/37/571895737.db2.gz CNKVTPBHLYTSIG-UHFFFAOYSA-N 1 3 159.277 0.095 10 0 ACAEHO CCN[C@H](C)[C@@H](O)[C@H]1CCC[NH2+]1 300063574 571897180 /nfs/dbraw/zinc/89/71/80/571897180.db2.gz WLIQYJRXAYXNQD-IWSPIJDZSA-N 1 3 172.272 0.097 10 0 ACAEHO COC1CC([NH2+]C[C@](C)(N)C2CC2)C1 234697504 571897199 /nfs/dbraw/zinc/89/71/99/571897199.db2.gz MUIGKIVDZFRIFJ-ILDUYXDCSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC(NC[C@](C)([NH3+])C2CC2)C1 234697504 571897201 /nfs/dbraw/zinc/89/72/01/571897201.db2.gz MUIGKIVDZFRIFJ-ILDUYXDCSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC(NC[C@H]2C[NH2+]C[C@@H]2C)C1 234696788 571897952 /nfs/dbraw/zinc/89/79/52/571897952.db2.gz BOIZPKXAIUUKBY-IZUQBHJASA-N 1 3 198.310 0.609 10 0 ACAEHO COC1CC(NC[C@]2(C)CC[NH2+]C2)C1 234697812 571898108 /nfs/dbraw/zinc/89/81/08/571898108.db2.gz NOMITUVJXWTVDW-VQXHTEKXSA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C[C@H](C)O 233958973 571898463 /nfs/dbraw/zinc/89/84/63/571898463.db2.gz UQUYAVXLGJAVLO-LNFKQOIKSA-N 1 3 198.310 0.297 10 0 ACAEHO CCN[C@H](C)[C@H](O)[C@H]1CCC[NH2+]1 300063573 571898587 /nfs/dbraw/zinc/89/85/87/571898587.db2.gz WLIQYJRXAYXNQD-HLTSFMKQSA-N 1 3 172.272 0.097 10 0 ACAEHO COC1CC(NC[C@H]2C[NH2+]C[C@H]2C)C1 234696822 571898747 /nfs/dbraw/zinc/89/87/47/571898747.db2.gz BOIZPKXAIUUKBY-NKVNRFPTSA-N 1 3 198.310 0.609 10 0 ACAEHO C[NH2+][C@@H]1COC[C@@H]1CN[C@@H]1CC1(C)C 227641567 571899162 /nfs/dbraw/zinc/89/91/62/571899162.db2.gz HQIDZEDDZPINRJ-IVZWLZJFSA-N 1 3 198.310 0.609 10 0 ACAEHO [NH2+]=C(CC1=NCCN1)N1CCCC1 39133064 571899935 /nfs/dbraw/zinc/89/99/35/571899935.db2.gz UEHUEIPSDFGNRT-UHFFFAOYSA-N 1 3 180.255 0.451 10 0 ACAEHO CC(CN)(C[NH3+])C(F)(F)F 39135293 571900428 /nfs/dbraw/zinc/90/04/28/571900428.db2.gz DNPHYWAVUAUVED-UHFFFAOYSA-N 1 3 156.151 0.472 10 0 ACAEHO CC[C@@](C)(CN[C@H](C)C[NH3+])OC 233959690 571900764 /nfs/dbraw/zinc/90/07/64/571900764.db2.gz CATNMOGSMFKKBK-BDAKNGLRSA-N 1 3 174.288 0.738 10 0 ACAEHO C[NH2+][C@@H]1COC[C@H]1CN(C)C(C)C 227640374 571901837 /nfs/dbraw/zinc/90/18/37/571901837.db2.gz IMMPWQXVQOPAJX-NXEZZACHSA-N 1 3 186.299 0.561 10 0 ACAEHO C[C@H](CC[NH3+])NCCn1cccn1 235440471 571902241 /nfs/dbraw/zinc/90/22/41/571902241.db2.gz OSSMQCVNEJYOAX-SECBINFHSA-N 1 3 182.271 0.210 10 0 ACAEHO C[C@H](CCN)[NH2+]CCn1cccn1 235440471 571902243 /nfs/dbraw/zinc/90/22/43/571902243.db2.gz OSSMQCVNEJYOAX-SECBINFHSA-N 1 3 182.271 0.210 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@@H](C)n1cccn1 235440564 571903036 /nfs/dbraw/zinc/90/30/36/571903036.db2.gz ADIUDNXHVPYTBJ-NXEZZACHSA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@H](CC[NH3+])NC[C@@H](C)n1cccn1 235440564 571903038 /nfs/dbraw/zinc/90/30/38/571903038.db2.gz ADIUDNXHVPYTBJ-NXEZZACHSA-N 1 3 196.298 0.771 10 0 ACAEHO C[NH2+]C[C@H](O)CN1C[C@H](C)[C@@H](C)C1 219641323 571903568 /nfs/dbraw/zinc/90/35/68/571903568.db2.gz GNYJGUKWVRWYQK-GUBZILKMSA-N 1 3 186.299 0.155 10 0 ACAEHO C[C@@H](C[NH2+][C@H](C)CCN)n1cccn1 235440843 571903736 /nfs/dbraw/zinc/90/37/36/571903736.db2.gz ADIUDNXHVPYTBJ-ZJUUUORDSA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@@H](CN[C@H](C)CC[NH3+])n1cccn1 235440843 571903739 /nfs/dbraw/zinc/90/37/39/571903739.db2.gz ADIUDNXHVPYTBJ-ZJUUUORDSA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)NCCC[NH3+] 235440463 571903778 /nfs/dbraw/zinc/90/37/78/571903778.db2.gz WNBLBADHOPCBPS-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[NH2+]CCCN 235440463 571903781 /nfs/dbraw/zinc/90/37/81/571903781.db2.gz WNBLBADHOPCBPS-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H](CN[C@H](C)CC[NH3+])n1cncn1 235440855 571903864 /nfs/dbraw/zinc/90/38/64/571903864.db2.gz PLAKWXPVPPBUQP-BDAKNGLRSA-N 1 3 197.286 0.166 10 0 ACAEHO C[C@@H](C[NH2+][C@H](C)CCN)n1cncn1 235440855 571903871 /nfs/dbraw/zinc/90/38/71/571903871.db2.gz PLAKWXPVPPBUQP-BDAKNGLRSA-N 1 3 197.286 0.166 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@@H](C)n1cncn1 235440603 571904292 /nfs/dbraw/zinc/90/42/92/571904292.db2.gz PLAKWXPVPPBUQP-RKDXNWHRSA-N 1 3 197.286 0.166 10 0 ACAEHO C[C@H](CC[NH3+])NC[C@@H](C)n1cncn1 235440603 571904287 /nfs/dbraw/zinc/90/42/87/571904287.db2.gz PLAKWXPVPPBUQP-RKDXNWHRSA-N 1 3 197.286 0.166 10 0 ACAEHO COC1(CNC2CC([NH3+])C2)CCC1 234707748 571904801 /nfs/dbraw/zinc/90/48/01/571904801.db2.gz QGJJWRUOXQZGFT-UHFFFAOYSA-N 1 3 184.283 0.635 10 0 ACAEHO COC1(C[NH2+]C2CCNCC2)CCC1 234708134 571905057 /nfs/dbraw/zinc/90/50/57/571905057.db2.gz MWWWYXBGMFKOOR-UHFFFAOYSA-N 1 3 198.310 0.897 10 0 ACAEHO COC1(CNC2CC[NH2+]CC2)CCC1 234708134 571905058 /nfs/dbraw/zinc/90/50/58/571905058.db2.gz MWWWYXBGMFKOOR-UHFFFAOYSA-N 1 3 198.310 0.897 10 0 ACAEHO C[C@H](CC[NH3+])NCc1cc[nH]c(=O)c1 235441469 571905107 /nfs/dbraw/zinc/90/51/07/571905107.db2.gz ORWKIHVEQCJRPF-MRVPVSSYSA-N 1 3 195.266 0.202 10 0 ACAEHO C[C@H](CC[NH3+])NCc1ccc(=O)[nH]c1 235441491 571906774 /nfs/dbraw/zinc/90/67/74/571906774.db2.gz UPOZAFJRGGFFOB-MRVPVSSYSA-N 1 3 195.266 0.202 10 0 ACAEHO [NH3+][C@@H]1CCCO[C@@]12CCCNC2 39184908 571907512 /nfs/dbraw/zinc/90/75/12/571907512.db2.gz QSIOXBLTLWMPHL-RKDXNWHRSA-N 1 3 170.256 0.246 10 0 ACAEHO N[C@@H]1CCCO[C@@]12CCC[NH2+]C2 39184908 571907513 /nfs/dbraw/zinc/90/75/13/571907513.db2.gz QSIOXBLTLWMPHL-RKDXNWHRSA-N 1 3 170.256 0.246 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[NH2+]CC1(CN)CC1 235438332 571908386 /nfs/dbraw/zinc/90/83/86/571908386.db2.gz MMKCTNVKSSDZFH-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@@H]1CCCN(CCC(N)=[NH2+])C1 234726923 571908450 /nfs/dbraw/zinc/90/84/50/571908450.db2.gz QGUIXTHAJPNKDL-SECBINFHSA-N 1 3 199.298 0.671 10 0 ACAEHO C[C@H](CN(C)C)NC[C@@H]1CCC[NH2+]1 235438732 571908732 /nfs/dbraw/zinc/90/87/32/571908732.db2.gz CJOODKIUICJVCM-ZJUUUORDSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H](CN(C)C)NC[C@@H]1CCCC[NH2+]1 235438657 571908945 /nfs/dbraw/zinc/90/89/45/571908945.db2.gz UDIFFTJLVAGEKC-MNOVXSKESA-N 1 3 199.342 0.668 10 0 ACAEHO C[NH2+]CC/C=C/CN(C)C 687677849 571910369 /nfs/dbraw/zinc/91/03/69/571910369.db2.gz LPPWKXHIKVARBN-GQCTYLIASA-N 1 3 142.246 0.714 10 0 ACAEHO CO[C@@H](C)CNC1(C[NH3+])CC(C)C1 234729266 571910502 /nfs/dbraw/zinc/91/05/02/571910502.db2.gz MVKUAHVBHSCVBW-KYHHOPLUSA-N 1 3 186.299 0.738 10 0 ACAEHO CN(CCCO)[C@H]1CCC[C@@H]([NH3+])C1 300771285 571910619 /nfs/dbraw/zinc/91/06/19/571910619.db2.gz CVJCPGIBBYUREN-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@H+](CCCO)[C@H]1CCC[C@@H](N)C1 300771285 571910623 /nfs/dbraw/zinc/91/06/23/571910623.db2.gz CVJCPGIBBYUREN-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CCCO)[C@H]1CCC[C@@H](N)C1 300771285 571910628 /nfs/dbraw/zinc/91/06/28/571910628.db2.gz CVJCPGIBBYUREN-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CN)[NH2+]CC1(N(C)C)CCC1 235449819 571910672 /nfs/dbraw/zinc/91/06/72/571910672.db2.gz MCTGDXNXBASWMX-SECBINFHSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@@H](C[NH2+][C@H](C)CN)N1CCCC1 235453703 571910914 /nfs/dbraw/zinc/91/09/14/571910914.db2.gz FEVLTEVYFSBSSA-ZJUUUORDSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@H](CN)[NH2+]C1CCN(C2CC2)CC1 235449167 571911385 /nfs/dbraw/zinc/91/13/85/571911385.db2.gz BHGMRUYABOMQRF-SECBINFHSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@H](C[NH3+])NCC1(O)CCCCC1 235449924 571911099 /nfs/dbraw/zinc/91/10/99/571911099.db2.gz KOQJKEXWIAAMTF-SECBINFHSA-N 1 3 186.299 0.618 10 0 ACAEHO C[C@H](CN)[NH2+]CCCc1ncc[nH]1 235451201 571911340 /nfs/dbraw/zinc/91/13/40/571911340.db2.gz JWEPOTPREABEBY-MRVPVSSYSA-N 1 3 182.271 0.279 10 0 ACAEHO C[NH2+]C/C=C1/CCN(C)C1 687677881 571911212 /nfs/dbraw/zinc/91/12/12/571911212.db2.gz FJMUNMRHMSDDMQ-BAQGIRSFSA-N 1 3 140.230 0.468 10 0 ACAEHO C[C@H](C[NH3+])NC[C@@H](C)n1cccn1 235452856 571911224 /nfs/dbraw/zinc/91/12/24/571911224.db2.gz MIYAHANTTFKTRQ-RKDXNWHRSA-N 1 3 182.271 0.381 10 0 ACAEHO CN(CCCO)[C@@H]1CC[C@H]([NH3+])C1 300770852 571911293 /nfs/dbraw/zinc/91/12/93/571911293.db2.gz QGYGANJXNUXKDN-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CN)[NH2+]C[C@@H]1CCCCN1C 235453107 571911380 /nfs/dbraw/zinc/91/13/80/571911380.db2.gz JBUKKCLUJQRQLB-ZJUUUORDSA-N 1 3 185.315 0.408 10 0 ACAEHO COC[C@H]1CCCN(CCC(N)=[NH2+])C1 234728786 571911949 /nfs/dbraw/zinc/91/19/49/571911949.db2.gz QGUIXTHAJPNKDL-VIFPVBQESA-N 1 3 199.298 0.671 10 0 ACAEHO C[C@H](CN)[NH2+]C[C@@H](C)N1CCCC1 235452738 571911445 /nfs/dbraw/zinc/91/14/45/571911445.db2.gz FEVLTEVYFSBSSA-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO CN(C)C/C=C1/CCC[NH2+]C1 687678243 571911576 /nfs/dbraw/zinc/91/15/76/571911576.db2.gz ILUVOZXLCJZZTR-UITAMQMPSA-N 1 3 154.257 0.858 10 0 ACAEHO C[C@H](C[NH3+])NC[C@@H]1CCCC[C@@H]1O 235453186 571911982 /nfs/dbraw/zinc/91/19/82/571911982.db2.gz UKAFOIORPGYISD-UTLUCORTSA-N 1 3 186.299 0.474 10 0 ACAEHO Cc1n[nH]cc1CCCN[C@H](C)C[NH3+] 235451189 571911990 /nfs/dbraw/zinc/91/19/90/571911990.db2.gz MLFDPDKOTKJFKQ-MRVPVSSYSA-N 1 3 196.298 0.588 10 0 ACAEHO CN(C)C/C=C/CC[NH3+] 687677743 571912016 /nfs/dbraw/zinc/91/20/16/571912016.db2.gz CLTFENQMYIXVML-HWKANZROSA-N 1 3 128.219 0.453 10 0 ACAEHO C[C@H](CN)[NH2+]CCN(C)C1CC1 235451318 571912242 /nfs/dbraw/zinc/91/22/42/571912242.db2.gz IKVAQZMPFMSNDE-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@H](C[NH3+])NCCN(C)C1CC1 235451318 571912243 /nfs/dbraw/zinc/91/22/43/571912243.db2.gz IKVAQZMPFMSNDE-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO C[NH2+]C/C=C1/CCCN(C)C1 687678199 571912329 /nfs/dbraw/zinc/91/23/29/571912329.db2.gz USGCAAIQOBZSGT-UITAMQMPSA-N 1 3 154.257 0.858 10 0 ACAEHO C[C@H](CNCCC[NH3+])n1cccn1 235453688 571912504 /nfs/dbraw/zinc/91/25/04/571912504.db2.gz BGLBPHXVDNNUBX-SECBINFHSA-N 1 3 182.271 0.383 10 0 ACAEHO C[C@H](C[NH2+]CCCN)n1cccn1 235453688 571912506 /nfs/dbraw/zinc/91/25/06/571912506.db2.gz BGLBPHXVDNNUBX-SECBINFHSA-N 1 3 182.271 0.383 10 0 ACAEHO C[C@H](CN)[NH2+]CCN1CCCCCC1 235451392 571912670 /nfs/dbraw/zinc/91/26/70/571912670.db2.gz RIYFUTCCDAZTHB-LLVKDONJSA-N 1 3 199.342 0.799 10 0 ACAEHO C[C@H](CN)[NH2+]CC(C)(C)N(C)C 235449473 571912676 /nfs/dbraw/zinc/91/26/76/571912676.db2.gz NNDIUCWDQPDSMT-MRVPVSSYSA-N 1 3 173.304 0.263 10 0 ACAEHO CN(CCCO)[C@H]1CC[C@@H]([NH3+])C1 300770851 571912728 /nfs/dbraw/zinc/91/27/28/571912728.db2.gz QGYGANJXNUXKDN-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](C[NH3+])NC[C@H]1CCC[C@@H]1O 235454194 571912793 /nfs/dbraw/zinc/91/27/93/571912793.db2.gz FHPUJFBWOAKXLX-HLTSFMKQSA-N 1 3 172.272 0.084 10 0 ACAEHO CN(CCCO)[C@H]1CCC[C@H]([NH3+])C1 300771282 571912859 /nfs/dbraw/zinc/91/28/59/571912859.db2.gz CVJCPGIBBYUREN-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@H+](CCCO)[C@H]1CCC[C@H](N)C1 300771282 571912861 /nfs/dbraw/zinc/91/28/61/571912861.db2.gz CVJCPGIBBYUREN-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CCCO)[C@H]1CCC[C@H](N)C1 300771282 571912864 /nfs/dbraw/zinc/91/28/64/571912864.db2.gz CVJCPGIBBYUREN-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](C[NH3+])NCC1(CO)CCCC1 235449789 571912932 /nfs/dbraw/zinc/91/29/32/571912932.db2.gz HWWGWJSTJUCQCX-SECBINFHSA-N 1 3 186.299 0.476 10 0 ACAEHO C[C@H](CN)[NH2+]C[C@H]1CCCCN1C 235454010 571913086 /nfs/dbraw/zinc/91/30/86/571913086.db2.gz JBUKKCLUJQRQLB-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@H](CN)[NH2+]CCN1CCCC1 235451362 571913263 /nfs/dbraw/zinc/91/32/63/571913263.db2.gz BGSSKTCIEFGJFY-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO C[C@H](CN)[NH2+]Cc1ccccc1N 235455788 571913276 /nfs/dbraw/zinc/91/32/76/571913276.db2.gz VRPRKXCRNFAPRM-MRVPVSSYSA-N 1 3 179.267 0.706 10 0 ACAEHO C[C@H](CN)[NH2+]C[C@@H](C)N1CCCCC1 235452755 571913282 /nfs/dbraw/zinc/91/32/82/571913282.db2.gz RLDMTTDUDAHMON-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@@H](C[NH2+][C@H](C)CN)N1CCCCC1 235453719 571913553 /nfs/dbraw/zinc/91/35/53/571913553.db2.gz RLDMTTDUDAHMON-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@@H]1C[C@@H]1CN[C@@H](C[NH3+])[C@@H]1CCCO1 167516134 571913452 /nfs/dbraw/zinc/91/34/52/571913452.db2.gz ZGLKJQWTOHWQGT-ZNSHCXBVSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H](C[NH3+])NCCc1ccc(O)cc1 235452136 571913580 /nfs/dbraw/zinc/91/35/80/571913580.db2.gz AGCFEOVARINZAY-SECBINFHSA-N 1 3 194.278 0.872 10 0 ACAEHO CN(CCCO)[C@H]1CC[C@H]([NH3+])C1 300770853 571913662 /nfs/dbraw/zinc/91/36/62/571913662.db2.gz QGYGANJXNUXKDN-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](C[NH3+])NCC1(O)CCCC1 235449908 571913670 /nfs/dbraw/zinc/91/36/70/571913670.db2.gz XVEZBQAEDYUXTR-MRVPVSSYSA-N 1 3 172.272 0.228 10 0 ACAEHO Cc1cn([C@H](C)C[NH+](C)C)c(N)n1 235454981 571913747 /nfs/dbraw/zinc/91/37/47/571913747.db2.gz WUPRAHSFMQZVMD-MRVPVSSYSA-N 1 3 182.271 0.896 10 0 ACAEHO C[C@H](C[NH3+])NCC1(CCO)CC1 235449757 571913818 /nfs/dbraw/zinc/91/38/18/571913818.db2.gz QWOXQMAOGOEMRO-MRVPVSSYSA-N 1 3 172.272 0.086 10 0 ACAEHO CN(CCCO)[C@@H]1CCC[C@H]([NH3+])C1 300771284 571913972 /nfs/dbraw/zinc/91/39/72/571913972.db2.gz CVJCPGIBBYUREN-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@H+](CCCO)[C@@H]1CCC[C@H](N)C1 300771284 571913974 /nfs/dbraw/zinc/91/39/74/571913974.db2.gz CVJCPGIBBYUREN-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CCCO)[C@@H]1CCC[C@H](N)C1 300771284 571913975 /nfs/dbraw/zinc/91/39/75/571913975.db2.gz CVJCPGIBBYUREN-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](C[NH3+])NC[C@H]1CCCC[C@@H]1O 235454078 571914248 /nfs/dbraw/zinc/91/42/48/571914248.db2.gz UKAFOIORPGYISD-BBBLOLIVSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H](CN)[NH2+]CCN1CCCCC1 235451376 571914337 /nfs/dbraw/zinc/91/43/37/571914337.db2.gz MGGWGMOHDKUSGP-SNVBAGLBSA-N 1 3 185.315 0.409 10 0 ACAEHO C[C@H](C[NH3+])NCCN1CCCCC1 235451376 571914342 /nfs/dbraw/zinc/91/43/42/571914342.db2.gz MGGWGMOHDKUSGP-SNVBAGLBSA-N 1 3 185.315 0.409 10 0 ACAEHO CN(CCCO)[C@@H]1CCC[C@@H]([NH3+])C1 300771280 571914367 /nfs/dbraw/zinc/91/43/67/571914367.db2.gz CVJCPGIBBYUREN-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@H+](CCCO)[C@@H]1CCC[C@@H](N)C1 300771280 571914372 /nfs/dbraw/zinc/91/43/72/571914372.db2.gz CVJCPGIBBYUREN-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CCCO)[C@@H]1CCC[C@@H](N)C1 300771280 571914374 /nfs/dbraw/zinc/91/43/74/571914374.db2.gz CVJCPGIBBYUREN-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CN(CCCO)[C@@H]1CC[C@@H]([NH3+])C1 300770854 571914448 /nfs/dbraw/zinc/91/44/48/571914448.db2.gz QGYGANJXNUXKDN-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(C)Cc1ncccc1C[NH3+] 300772052 571914470 /nfs/dbraw/zinc/91/44/70/571914470.db2.gz PZTHTLDCUZBLKZ-UHFFFAOYSA-N 1 3 179.267 0.992 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@H]1CCO[C@@H]1C 235462008 571914951 /nfs/dbraw/zinc/91/49/51/571914951.db2.gz QLWUKHSGTLSSMG-OPRDCNLKSA-N 1 3 186.299 0.596 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCO[C@@H]1C1CC1 235463752 571915055 /nfs/dbraw/zinc/91/50/55/571915055.db2.gz QDPNYNPXUMLDND-FKTZTGRPSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H](Cn1ccnc1)N[C@H](C)C[NH3+] 235458908 571915138 /nfs/dbraw/zinc/91/51/38/571915138.db2.gz NRYBYNOKGONBBF-BDAKNGLRSA-N 1 3 182.271 0.208 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@H]1CCO[C@@H]1C 235461941 571916046 /nfs/dbraw/zinc/91/60/46/571916046.db2.gz QLWUKHSGTLSSMG-BBBLOLIVSA-N 1 3 186.299 0.596 10 0 ACAEHO C[C@H](Cn1ccnc1N)[NH+](C)C 235461497 571915561 /nfs/dbraw/zinc/91/55/61/571915561.db2.gz XQGNFOWUIWUGHT-SSDOTTSWSA-N 1 3 168.244 0.415 10 0 ACAEHO C[C@H](Cn1cc[nH+]c1N)N(C)C 235461497 571915564 /nfs/dbraw/zinc/91/55/64/571915564.db2.gz XQGNFOWUIWUGHT-SSDOTTSWSA-N 1 3 168.244 0.415 10 0 ACAEHO C[C@H](CN)C[NH2+][C@]1(C)CCO[C@@H]1C 235462599 571915615 /nfs/dbraw/zinc/91/56/15/571915615.db2.gz YKDFLNILNPGMCV-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H](C[NH3+])CN[C@]1(C)CCO[C@@H]1C 235462599 571915618 /nfs/dbraw/zinc/91/56/18/571915618.db2.gz YKDFLNILNPGMCV-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H](CN1CCCCC1)[NH2+][C@H](C)CN 235458648 571915695 /nfs/dbraw/zinc/91/56/95/571915695.db2.gz DOZIGAXYXZFCMZ-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H](CN)[NH2+][C@H](C)CN1CCCCC1 235461516 571915727 /nfs/dbraw/zinc/91/57/27/571915727.db2.gz DOZIGAXYXZFCMZ-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO CC1(CCN2CC[C@H]2CC[NH3+])COC1 216096070 571915990 /nfs/dbraw/zinc/91/59/90/571915990.db2.gz KQBPUPISIDHAER-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CC1(CC[N@@H+]2CC[C@H]2CCN)COC1 216096070 571915991 /nfs/dbraw/zinc/91/59/91/571915991.db2.gz KQBPUPISIDHAER-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CC1(CC[N@H+]2CC[C@H]2CCN)COC1 216096070 571915992 /nfs/dbraw/zinc/91/59/92/571915992.db2.gz KQBPUPISIDHAER-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H](N[C@H](C)C[NH3+])[C@@H]1CCCO1 235458927 571916331 /nfs/dbraw/zinc/91/63/31/571916331.db2.gz OWMNJWJNYXUTIF-VGMNWLOBSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@]1(C)CCCOC1 235462484 571916444 /nfs/dbraw/zinc/91/64/44/571916444.db2.gz FCXQRWPFLSKHFV-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](CNC[C@@H]1CCCC[NH2+]1)N(C)C 235464083 571916484 /nfs/dbraw/zinc/91/64/84/571916484.db2.gz LAWZNOBVUWYSBD-MNOVXSKESA-N 1 3 199.342 0.668 10 0 ACAEHO C[C@H](CN)C[NH2+][C@]1(C)CCCOC1 235462584 571916552 /nfs/dbraw/zinc/91/65/52/571916552.db2.gz FCXQRWPFLSKHFV-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](CN)[NH2+][C@H]1CCN(C2CC2)C1 235464135 571916568 /nfs/dbraw/zinc/91/65/68/571916568.db2.gz IOXQFPFQWIGURM-BDAKNGLRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCN(C2CC2)C1 235464135 571916571 /nfs/dbraw/zinc/91/65/71/571916571.db2.gz IOXQFPFQWIGURM-BDAKNGLRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@H](C[NH3+])N[C@H](C)Cn1ccnc1 235461790 571916938 /nfs/dbraw/zinc/91/69/38/571916938.db2.gz NRYBYNOKGONBBF-RKDXNWHRSA-N 1 3 182.271 0.208 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCO[C@@H]1C1CC1 235460569 571917026 /nfs/dbraw/zinc/91/70/26/571917026.db2.gz QDPNYNPXUMLDND-SZEHBUNVSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@]1(C)CCO[C@@H]1C 235462502 571917031 /nfs/dbraw/zinc/91/70/31/571917031.db2.gz YKDFLNILNPGMCV-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@]1(C)CCO[C@@H]1C 235462502 571917033 /nfs/dbraw/zinc/91/70/33/571917033.db2.gz YKDFLNILNPGMCV-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+]CCNCC1(C)CCOCC1 234381425 571917410 /nfs/dbraw/zinc/91/74/10/571917410.db2.gz MEWPJSKTOMZYNN-UHFFFAOYSA-N 1 3 186.299 0.612 10 0 ACAEHO C[C@H](C[NH3+])N[C@H](C)[C@@H]1CCCO1 235461806 571917655 /nfs/dbraw/zinc/91/76/55/571917655.db2.gz OWMNJWJNYXUTIF-HLTSFMKQSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H](C[NH3+])NC[C@@H]1CCC[C@@H]1O 235453294 571917487 /nfs/dbraw/zinc/91/74/87/571917487.db2.gz FHPUJFBWOAKXLX-VGMNWLOBSA-N 1 3 172.272 0.084 10 0 ACAEHO COC[C@H](N[C@H](C)C[NH3+])C(C)C 234735498 571917501 /nfs/dbraw/zinc/91/75/01/571917501.db2.gz FWWFIZULVIEYCY-BDAKNGLRSA-N 1 3 174.288 0.594 10 0 ACAEHO C[C@@H](CN1CCCC1)[NH2+][C@H](C)CN 235458624 571917513 /nfs/dbraw/zinc/91/75/13/571917513.db2.gz DUPYCGVGPVNOBR-ZJUUUORDSA-N 1 3 185.315 0.408 10 0 ACAEHO C[NH2+]C(C)(C)C[C@@H](C)N 39257695 571917526 /nfs/dbraw/zinc/91/75/26/571917526.db2.gz SAKGOYVQTSICKT-ZCFIWIBFSA-N 1 3 130.235 0.722 10 0 ACAEHO C[C@H]([NH3+])CCN[C@]1(C)CCO[C@@H]1C 235488966 571918403 /nfs/dbraw/zinc/91/84/03/571918403.db2.gz QKUQWRASPMYUOP-IVZWLZJFSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@H](C[NH3+])CNCCOCC1CC1 235461860 571917623 /nfs/dbraw/zinc/91/76/23/571917623.db2.gz QFFBGOLMHDVNJL-SECBINFHSA-N 1 3 186.299 0.597 10 0 ACAEHO C[NH2+]C(C)(C)C[C@H](C)N 39257694 571917705 /nfs/dbraw/zinc/91/77/05/571917705.db2.gz SAKGOYVQTSICKT-LURJTMIESA-N 1 3 130.235 0.722 10 0 ACAEHO C[C@H](CN)[NH2+][C@@H]1CCN(C2CC2)C1 235460928 571917744 /nfs/dbraw/zinc/91/77/44/571917744.db2.gz IOXQFPFQWIGURM-RKDXNWHRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCN(C2CC2)C1 235460928 571917745 /nfs/dbraw/zinc/91/77/45/571917745.db2.gz IOXQFPFQWIGURM-RKDXNWHRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[NH2+]CCCCN1CCN(C)C[C@@H]1C 234381858 571917781 /nfs/dbraw/zinc/91/77/81/571917781.db2.gz BQSQTEYKHVASDU-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H](Cn1ccnc1N)[NH+]1CCCC1 235461513 571917786 /nfs/dbraw/zinc/91/77/86/571917786.db2.gz FTLYFLZSAYGFIE-SECBINFHSA-N 1 3 194.282 0.950 10 0 ACAEHO C[C@H](CN)[NH2+][C@H](C)CN1CCCC1 235461485 571917827 /nfs/dbraw/zinc/91/78/27/571917827.db2.gz DUPYCGVGPVNOBR-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO COC[C@@H](N[C@@H](C)C[NH3+])C(C)C 234732626 571918291 /nfs/dbraw/zinc/91/82/91/571918291.db2.gz FWWFIZULVIEYCY-DTWKUNHWSA-N 1 3 174.288 0.594 10 0 ACAEHO Cc1cn(C[C@@H](C)[NH+](C)C)c(N)n1 235474609 571918356 /nfs/dbraw/zinc/91/83/56/571918356.db2.gz YMYROFMSNYJQCN-MRVPVSSYSA-N 1 3 182.271 0.724 10 0 ACAEHO C[C@H](CNC[C@H]1CCCC[NH2+]1)N(C)C 235474944 571918426 /nfs/dbraw/zinc/91/84/26/571918426.db2.gz LAWZNOBVUWYSBD-GHMZBOCLSA-N 1 3 199.342 0.668 10 0 ACAEHO C[C@H](CO)[C@@H](C)NC1(C[NH3+])CC1 235485146 571918710 /nfs/dbraw/zinc/91/87/10/571918710.db2.gz MKCMNPILAAAOCY-HTQZYQBOSA-N 1 3 172.272 0.084 10 0 ACAEHO C[C@@H]1CN(C)CCN1CCCC[NH3+] 235474154 571918834 /nfs/dbraw/zinc/91/88/34/571918834.db2.gz VJTXANNHHAJEEH-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@@H]1CCO[C@@H]1C 235487783 571919184 /nfs/dbraw/zinc/91/91/84/571919184.db2.gz FZAHCRWYUQCPAD-AEJSXWLSSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H](CO)[C@H](C)NC1(C[NH3+])CC1 235464954 571919204 /nfs/dbraw/zinc/91/92/04/571919204.db2.gz MKCMNPILAAAOCY-SFYZADRCSA-N 1 3 172.272 0.084 10 0 ACAEHO COC1CC([NH2+][C@@H]2CCC[C@H]2CN)C1 234736448 571919723 /nfs/dbraw/zinc/91/97/23/571919723.db2.gz OZBXDZSDIQLEAM-IDWGSYCQSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H]([C@@H](O)CN)[N@H+]1C[C@H]2CC[C@H]2C1 711206895 571919774 /nfs/dbraw/zinc/91/97/74/571919774.db2.gz FNXSIEUZGTWUCL-IMSYWVGJSA-N 1 3 184.283 0.036 10 0 ACAEHO C[C@H]([C@@H](O)CN)[N@@H+]1C[C@H]2CC[C@H]2C1 711206895 571919776 /nfs/dbraw/zinc/91/97/76/571919776.db2.gz FNXSIEUZGTWUCL-IMSYWVGJSA-N 1 3 184.283 0.036 10 0 ACAEHO [NH3+]CC[C@@H]1CCN1CCCC1COC1 216096560 571919843 /nfs/dbraw/zinc/91/98/43/571919843.db2.gz PBUBDUUPPTYDHK-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H]([NH3+])CCNCCOCC1CC1 235487690 571919790 /nfs/dbraw/zinc/91/97/90/571919790.db2.gz QDYLEEPZNOBXOP-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@H]1CCO[C@@H]1C 235487861 571919806 /nfs/dbraw/zinc/91/98/06/571919806.db2.gz FZAHCRWYUQCPAD-IVZWLZJFSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H]1CN(C)CCN1CCCCC[NH3+] 235474019 571920157 /nfs/dbraw/zinc/92/01/57/571920157.db2.gz FVJKXSBQZPRCCC-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N(CCCO)C2CC2)C1 404346278 571920265 /nfs/dbraw/zinc/92/02/65/571920265.db2.gz WMCWFLFJZPKNFV-ONGXEEELSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H]([NH3+])CCN[C@]1(C)CCCOC1 235488948 571920822 /nfs/dbraw/zinc/92/08/22/571920822.db2.gz CVQYWKZWKMZOKR-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO COC1CC([NH2+][C@@H]2CCC[C@@H]2CN)C1 234736217 571920299 /nfs/dbraw/zinc/92/02/99/571920299.db2.gz OZBXDZSDIQLEAM-AGVGLQIMSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H](C[NH3+])OCCN(C)C1CC1 235474623 571920827 /nfs/dbraw/zinc/92/08/27/571920827.db2.gz OHUNGOPCFRHUCT-MRVPVSSYSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H](CNC[C@@H]1CCC[NH2+]1)N(C)C 235464832 571920692 /nfs/dbraw/zinc/92/06/92/571920692.db2.gz UXRMVRYCPCSKIP-ZJUUUORDSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H]([NH3+])CNCCCOCC1CC1 235487060 571920792 /nfs/dbraw/zinc/92/07/92/571920792.db2.gz QWPHZMNUAOONHN-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H]1CN(C)CCN1CCCC(N)=[NH2+] 235473402 571920852 /nfs/dbraw/zinc/92/08/52/571920852.db2.gz PURIQAOWWBYLHJ-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@@H]1CN(C)CCN1CC[NH2+]C1CC1 235475545 571920866 /nfs/dbraw/zinc/92/08/66/571920866.db2.gz FQIQSUJTJLIFRM-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H](CNC[C@H]1CCC[NH2+]1)N(C)C 235475529 571920890 /nfs/dbraw/zinc/92/08/90/571920890.db2.gz UXRMVRYCPCSKIP-NXEZZACHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H]([C@H](O)CN)[NH+]1C[C@@H]2CC[C@H]2C1 711206896 571921131 /nfs/dbraw/zinc/92/11/31/571921131.db2.gz FNXSIEUZGTWUCL-XFWSIPNHSA-N 1 3 184.283 0.036 10 0 ACAEHO C[C@H]([C@H](O)CN)[NH+]1C[C@H]2CC[C@@H]2C1 711206900 571921610 /nfs/dbraw/zinc/92/16/10/571921610.db2.gz FNXSIEUZGTWUCL-ZYUZMQFOSA-N 1 3 184.283 0.036 10 0 ACAEHO CN1CCN(CC/C=C/C[NH3+])CC1 687680392 571923183 /nfs/dbraw/zinc/92/31/83/571923183.db2.gz YPOLUVMDKIFABA-NSCUHMNNSA-N 1 3 183.299 0.139 10 0 ACAEHO C[NH2+]C/C=C/CN1CCN(C)CC1 687680389 571924036 /nfs/dbraw/zinc/92/40/36/571924036.db2.gz UBDUQJRYJMILPO-ONEGZZNKSA-N 1 3 183.299 0.009 10 0 ACAEHO COC1CC([NH2+][C@H]2CCC[C@@H]2CN)C1 234740345 571924087 /nfs/dbraw/zinc/92/40/87/571924087.db2.gz OZBXDZSDIQLEAM-SFXRXQKFSA-N 1 3 198.310 0.881 10 0 ACAEHO COC1CC([NH2+][C@H]2CCC[C@H]2CN)C1 234740566 571924780 /nfs/dbraw/zinc/92/47/80/571924780.db2.gz OZBXDZSDIQLEAM-PMUOWJKOSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](N[C@H](C)C[NH3+])C(C)C 234744713 571927662 /nfs/dbraw/zinc/92/76/62/571927662.db2.gz FWWFIZULVIEYCY-RKDXNWHRSA-N 1 3 174.288 0.594 10 0 ACAEHO CO[C@H]1CCN(CCC(N)=[NH2+])[C@H](C)C1 300795270 571928131 /nfs/dbraw/zinc/92/81/31/571928131.db2.gz AGXOTKJGYVRHKA-BDAKNGLRSA-N 1 3 199.298 0.812 10 0 ACAEHO CO[C@@H]1CCN(CCC(N)=[NH2+])[C@H](C)C1 300796290 571928732 /nfs/dbraw/zinc/92/87/32/571928732.db2.gz AGXOTKJGYVRHKA-RKDXNWHRSA-N 1 3 199.298 0.812 10 0 ACAEHO CCN1CCC([N@H+](CC)CCN)CC1 300791177 571929311 /nfs/dbraw/zinc/92/93/11/571929311.db2.gz HLFYDJCXCBJAFY-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN1CCC([N@@H+](CC)CCN)CC1 300791177 571929314 /nfs/dbraw/zinc/92/93/14/571929314.db2.gz HLFYDJCXCBJAFY-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CO[C@H]1CCN(CCC(N)=[NH2+])[C@@H](C)C1 300796289 571929811 /nfs/dbraw/zinc/92/98/11/571929811.db2.gz AGXOTKJGYVRHKA-IUCAKERBSA-N 1 3 199.298 0.812 10 0 ACAEHO CCN(CC[NH3+])[C@H]1CCN(C2CC2)C1 300798499 571931300 /nfs/dbraw/zinc/93/13/00/571931300.db2.gz IQXXRNXAYDFZNI-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCN(C/C=C2/CC[NH2+]C2)CC1 687681836 571931562 /nfs/dbraw/zinc/93/15/62/571931562.db2.gz RRKBJEKRRQIOBL-JYOAFUTRSA-N 1 3 195.310 0.154 10 0 ACAEHO CCN(CC[NH3+])[C@@H]1CCN(C2CC2)C1 300798496 571932454 /nfs/dbraw/zinc/93/24/54/571932454.db2.gz IQXXRNXAYDFZNI-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO C[NH2+]C/C=C/CCN1CCN(C)CC1 687682135 571931868 /nfs/dbraw/zinc/93/18/68/571931868.db2.gz KSECMFGHAXHLCI-ONEGZZNKSA-N 1 3 197.326 0.400 10 0 ACAEHO CN(CCCO)C[C@@H]1CCC[C@@H]1[NH3+] 300798441 571931985 /nfs/dbraw/zinc/93/19/85/571931985.db2.gz IQGKQVBFLUPNLL-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+]CC/C=C/CN1CCN(C)CC1 687682123 571932062 /nfs/dbraw/zinc/93/20/62/571932062.db2.gz AGNRKBVPBZNYDB-HWKANZROSA-N 1 3 197.326 0.400 10 0 ACAEHO C[C@H]([NH3+])CCCN1CCN(C)C[C@@H]1C 235493223 571932072 /nfs/dbraw/zinc/93/20/72/571932072.db2.gz RJFAUXMRWMPJBG-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CN(CCCO)C[C@@H]1CCC[C@H]1[NH3+] 300798442 571932196 /nfs/dbraw/zinc/93/21/96/571932196.db2.gz IQGKQVBFLUPNLL-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCCO)C[C@H]1CCC[C@H]1[NH3+] 300798438 571932370 /nfs/dbraw/zinc/93/23/70/571932370.db2.gz IQGKQVBFLUPNLL-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCCO)C[C@H]1CCC[C@@H]1[NH3+] 300798445 571933902 /nfs/dbraw/zinc/93/39/02/571933902.db2.gz IQGKQVBFLUPNLL-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC1(C)CNCC[C@@H]1[NH2+]CCCO 300798033 571934102 /nfs/dbraw/zinc/93/41/02/571934102.db2.gz FAGUZNYBPYOTJU-VIFPVBQESA-N 1 3 186.299 0.347 10 0 ACAEHO CC1(C)C[NH2+]CC[C@@H]1NCCCO 300798033 571934106 /nfs/dbraw/zinc/93/41/06/571934106.db2.gz FAGUZNYBPYOTJU-VIFPVBQESA-N 1 3 186.299 0.347 10 0 ACAEHO CC1(C)CNCC[C@H]1[NH2+]CCCO 300798030 571934506 /nfs/dbraw/zinc/93/45/06/571934506.db2.gz FAGUZNYBPYOTJU-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC1(C)C[NH2+]CC[C@H]1NCCCO 300798030 571934510 /nfs/dbraw/zinc/93/45/10/571934510.db2.gz FAGUZNYBPYOTJU-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CC[C@@](C)(CN)C1 234751507 571935039 /nfs/dbraw/zinc/93/50/39/571935039.db2.gz VKMVYJMVJLOINL-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CC[C@@](C)(CN)C1 234751507 571935035 /nfs/dbraw/zinc/93/50/35/571935035.db2.gz VKMVYJMVJLOINL-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H](C)CN1CC[C@@](C)(C[NH3+])C1 234751507 571935042 /nfs/dbraw/zinc/93/50/42/571935042.db2.gz VKMVYJMVJLOINL-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CC[C@H]([NH2+]CCCN)C1 234751643 571935160 /nfs/dbraw/zinc/93/51/60/571935160.db2.gz FLXVRTHRWUZZJV-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO CC[C@@H]1C[C@H]1N[C@@H](C)C[NH3+] 233965858 571935555 /nfs/dbraw/zinc/93/55/55/571935555.db2.gz DPUOSXWBXUFMTA-XLPZGREQSA-N 1 3 142.246 0.722 10 0 ACAEHO [NH3+]C[C@@H]1CCCN(C2COC2)CC1 216118519 571936722 /nfs/dbraw/zinc/93/67/22/571936722.db2.gz XQRKEDZBILZRHC-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO C1=C(CN2CCC2)CC[NH2+]C1 687684025 571937577 /nfs/dbraw/zinc/93/75/77/571937577.db2.gz MEVUVRSOOQTCNK-UHFFFAOYSA-N 1 3 152.241 0.612 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C[C@H](C)O 233967481 571937765 /nfs/dbraw/zinc/93/77/65/571937765.db2.gz UQUYAVXLGJAVLO-ZRUFSTJUSA-N 1 3 198.310 0.297 10 0 ACAEHO COCCCCC[NH2+]C1CC(N)C1 234762587 571940287 /nfs/dbraw/zinc/94/02/87/571940287.db2.gz RDGUFLBQUNMHMK-UHFFFAOYSA-N 1 3 186.299 0.882 10 0 ACAEHO COCCCCCNC1CC([NH3+])C1 234762587 571940289 /nfs/dbraw/zinc/94/02/89/571940289.db2.gz RDGUFLBQUNMHMK-UHFFFAOYSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H](C)CNC1(C[NH3+])CC(C)C1 234768755 571940871 /nfs/dbraw/zinc/94/08/71/571940871.db2.gz MVKUAHVBHSCVBW-HWOCKDDLSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CC[C@@](C)(CN)C1 234761327 571940927 /nfs/dbraw/zinc/94/09/27/571940927.db2.gz VKMVYJMVJLOINL-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](C)C[N@H+]1CC[C@@](C)(CN)C1 234761327 571940929 /nfs/dbraw/zinc/94/09/29/571940929.db2.gz VKMVYJMVJLOINL-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](C)CN1CC[C@@](C)(C[NH3+])C1 234761327 571940930 /nfs/dbraw/zinc/94/09/30/571940930.db2.gz VKMVYJMVJLOINL-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CN(CCNC[C@H]1CCC[NH2+]1)C1CC1 234298287 571941268 /nfs/dbraw/zinc/94/12/68/571941268.db2.gz NPHFNUOFZDUTIZ-SNVBAGLBSA-N 1 3 197.326 0.422 10 0 ACAEHO C[N@H+]([C@H]1CCSC1)C1(CN)CC1 234295975 571941360 /nfs/dbraw/zinc/94/13/60/571941360.db2.gz HJVWMAQEZBCRML-QMMMGPOBSA-N 1 3 186.324 0.915 10 0 ACAEHO C[N@@H+]([C@H]1CCSC1)C1(CN)CC1 234295975 571941365 /nfs/dbraw/zinc/94/13/65/571941365.db2.gz HJVWMAQEZBCRML-QMMMGPOBSA-N 1 3 186.324 0.915 10 0 ACAEHO [NH3+][C@H]1CCCC[C@H]1N1CCC[C@H]1CO 404151894 571941370 /nfs/dbraw/zinc/94/13/70/571941370.db2.gz QDIDDLKIZILDDK-GARJFASQSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H]([NH2+]CCCN)C1CCOCC1 235516851 571942147 /nfs/dbraw/zinc/94/21/47/571942147.db2.gz CYTKYUKHJUTEII-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO CC1(OCCC[NH+]2CCCC2)CNC1 214675931 571943489 /nfs/dbraw/zinc/94/34/89/571943489.db2.gz VSMGXHOGGQOTTP-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO COCCC1(C[NH2+]CCCN)CC1 234773374 571944498 /nfs/dbraw/zinc/94/44/98/571944498.db2.gz MSIRMULTGDHFJJ-UHFFFAOYSA-N 1 3 186.299 0.742 10 0 ACAEHO COCC[C@](C)([NH3+])[C@H]1CCCCN1 687686458 571946123 /nfs/dbraw/zinc/94/61/23/571946123.db2.gz ANYNJMGKMYJING-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CCO[C@@H]1CC[C@@H]([NH3+])C[C@@H]1N 39135552 571946296 /nfs/dbraw/zinc/94/62/96/571946296.db2.gz LRQBXBIPSKUVIE-GJMOJQLCSA-N 1 3 158.245 0.230 10 0 ACAEHO COCC[C@@](C)([NH3+])[C@@H]1CCCCN1 687686457 571946462 /nfs/dbraw/zinc/94/64/62/571946462.db2.gz ANYNJMGKMYJING-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CCN[C@@H](C)C(C)(C)[NH3+] 687686631 571946711 /nfs/dbraw/zinc/94/67/11/571946711.db2.gz MXBBRCPQOASGRP-LURJTMIESA-N 1 3 130.235 0.722 10 0 ACAEHO CCN[C@H](C)C(C)(C)[NH3+] 687686632 571946959 /nfs/dbraw/zinc/94/69/59/571946959.db2.gz MXBBRCPQOASGRP-ZCFIWIBFSA-N 1 3 130.235 0.722 10 0 ACAEHO C[C@H]1CC[C@@](C[NH3+])(NCC2CC2)CO1 401479625 571947354 /nfs/dbraw/zinc/94/73/54/571947354.db2.gz UIOWZFRBVODKJL-ONGXEEELSA-N 1 3 198.310 0.882 10 0 ACAEHO COCC[C@](C)([NH3+])[C@@H]1CCCCN1 687686456 571948839 /nfs/dbraw/zinc/94/88/39/571948839.db2.gz ANYNJMGKMYJING-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H]1CC[C@](C[NH3+])(NCC2CC2)CO1 401479624 571948941 /nfs/dbraw/zinc/94/89/41/571948941.db2.gz UIOWZFRBVODKJL-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1CC[C@@](C[NH3+])(NCC2CC2)CO1 401479623 571949036 /nfs/dbraw/zinc/94/90/36/571949036.db2.gz UIOWZFRBVODKJL-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO COCC[C@@](C)([NH3+])[C@H]1CCCCN1 687686455 571949330 /nfs/dbraw/zinc/94/93/30/571949330.db2.gz ANYNJMGKMYJING-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]1CC[C@](C[NH3+])(NCC2CC2)CO1 401479622 571949775 /nfs/dbraw/zinc/94/97/75/571949775.db2.gz UIOWZFRBVODKJL-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO CN(CCC1([NH3+])CC1)[C@@H]1CCCOC1 401489064 571950461 /nfs/dbraw/zinc/95/04/61/571950461.db2.gz YTYHHWWNRUSVBO-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CN(CCC1([NH3+])CC1)[C@H]1CCCOC1 401489062 571950513 /nfs/dbraw/zinc/95/05/13/571950513.db2.gz YTYHHWWNRUSVBO-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CC(C)[NH2+]CC[C@@H](C)N 40407464 571952501 /nfs/dbraw/zinc/95/25/01/571952501.db2.gz MYQAUDXMRKHRDE-SSDOTTSWSA-N 1 3 130.235 0.722 10 0 ACAEHO CC(C)[NH2+]CC[C@H](C)N 40407468 571953027 /nfs/dbraw/zinc/95/30/27/571953027.db2.gz MYQAUDXMRKHRDE-ZETCQYMHSA-N 1 3 130.235 0.722 10 0 ACAEHO C[NH2+]CCNCC(C)C 40408579 571953215 /nfs/dbraw/zinc/95/32/15/571953215.db2.gz BITFXPQRJCWTRS-UHFFFAOYSA-N 1 3 130.235 0.451 10 0 ACAEHO CC(C)[NH2+]C[C@H](C)CN 11804606 571954719 /nfs/dbraw/zinc/95/47/19/571954719.db2.gz NTPWIBFBQQEEPX-SSDOTTSWSA-N 1 3 130.235 0.579 10 0 ACAEHO CN1CCC[C@@H](NC[C@@H]2CCC[NH2+]2)C1 234316106 571954978 /nfs/dbraw/zinc/95/49/78/571954978.db2.gz XWGKSJMQHPZLEG-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO CO[C@H]1C[C@@H](NCC[NH3+])C1(C)C 234779723 571955215 /nfs/dbraw/zinc/95/52/15/571955215.db2.gz RLEBSUCLRSHVGR-SFYZADRCSA-N 1 3 172.272 0.348 10 0 ACAEHO C[C@H](CN)C[NH2+]C(C)(C)C 11804677 571955423 /nfs/dbraw/zinc/95/54/23/571955423.db2.gz XCPZRDPQEYVVFL-SSDOTTSWSA-N 1 3 144.262 0.969 10 0 ACAEHO CO[C@H]1C[C@@H](NC[C@@H](C)[NH3+])C1(C)C 234781558 571955542 /nfs/dbraw/zinc/95/55/42/571955542.db2.gz QMAUAVKJVXLSPS-HLTSFMKQSA-N 1 3 186.299 0.737 10 0 ACAEHO C[C@H]1CCNCCC[NH2+]1 139587086 571955566 /nfs/dbraw/zinc/95/55/66/571955566.db2.gz ZPUPYHFHPSBHCC-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO C[C@H]1CC[NH2+]CCCN1 139587086 571955568 /nfs/dbraw/zinc/95/55/68/571955568.db2.gz ZPUPYHFHPSBHCC-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO CC(C)[NH2+]C[C@@H](C)CN 11804605 571955673 /nfs/dbraw/zinc/95/56/73/571955673.db2.gz NTPWIBFBQQEEPX-ZETCQYMHSA-N 1 3 130.235 0.579 10 0 ACAEHO CO[C@H]1C[C@@H]([NH2+]CCCN)C1(C)C 234779016 571955868 /nfs/dbraw/zinc/95/58/68/571955868.db2.gz ZKCOEJTZUUMOAS-BDAKNGLRSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@H]1C[C@@H](NCCC[NH3+])C1(C)C 234779016 571955871 /nfs/dbraw/zinc/95/58/71/571955871.db2.gz ZKCOEJTZUUMOAS-BDAKNGLRSA-N 1 3 186.299 0.738 10 0 ACAEHO CCOCCN1CCC[C@H](C(N)=[NH2+])C1 79838468 571955925 /nfs/dbraw/zinc/95/59/25/571955925.db2.gz UPLWIBKAKFZXGA-VIFPVBQESA-N 1 3 199.298 0.671 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(C)CC[C@@H](C)O 219855945 571955926 /nfs/dbraw/zinc/95/59/26/571955926.db2.gz YTJFSQKUFRTWJR-NXEZZACHSA-N 1 3 188.315 0.545 10 0 ACAEHO CCOCCN1CCC(C(N)=[NH2+])CC1 79842881 571955995 /nfs/dbraw/zinc/95/59/95/571955995.db2.gz JOUWOFHAARFNEB-UHFFFAOYSA-N 1 3 199.298 0.671 10 0 ACAEHO CO[C@@H]1CCC[C@H]1N[C@@H](C)C[NH3+] 234785843 571957098 /nfs/dbraw/zinc/95/70/98/571957098.db2.gz FIKBZYFFXGLQSH-DJLDLDEBSA-N 1 3 172.272 0.491 10 0 ACAEHO CCC(CN)(C[NH3+])C(F)(F)F 140606479 571957199 /nfs/dbraw/zinc/95/71/99/571957199.db2.gz VPBDASPYWBMNSW-UHFFFAOYSA-N 1 3 170.178 0.863 10 0 ACAEHO COC[C@H]1CCCN(CC2C[NH2+]C2)C1 234785644 571957514 /nfs/dbraw/zinc/95/75/14/571957514.db2.gz XLKFQIOJKPDSSH-JTQLQIEISA-N 1 3 198.310 0.564 10 0 ACAEHO COC[C@H]1CCC[N@H+](CC2CNC2)C1 234785644 571957519 /nfs/dbraw/zinc/95/75/19/571957519.db2.gz XLKFQIOJKPDSSH-JTQLQIEISA-N 1 3 198.310 0.564 10 0 ACAEHO COC[C@H]1CCC[N@@H+](CC2CNC2)C1 234785644 571957524 /nfs/dbraw/zinc/95/75/24/571957524.db2.gz XLKFQIOJKPDSSH-JTQLQIEISA-N 1 3 198.310 0.564 10 0 ACAEHO CCN1CCN(CC(C)(C)[NH3+])[C@@H](C)C1 250195786 571958722 /nfs/dbraw/zinc/95/87/22/571958722.db2.gz AWJAZDPEHWRMJF-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CO[C@H]1CCN(CC(C)(C)C[NH3+])C1 234794151 571962425 /nfs/dbraw/zinc/96/24/25/571962425.db2.gz HXIRBWOLXYEYOM-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H]1CC[N@H+](CC(C)(C)CN)C1 234794151 571962427 /nfs/dbraw/zinc/96/24/27/571962427.db2.gz HXIRBWOLXYEYOM-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H]1CC[N@@H+](CC(C)(C)CN)C1 234794151 571962429 /nfs/dbraw/zinc/96/24/29/571962429.db2.gz HXIRBWOLXYEYOM-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CN([C@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCOC1 401603003 571962617 /nfs/dbraw/zinc/96/26/17/571962617.db2.gz FNOUIYWIWZGTPI-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CCN(CCC(C)(C)[NH3+])C1 234796102 571962868 /nfs/dbraw/zinc/96/28/68/571962868.db2.gz CSVOXWUSGMCFBH-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H]1CCN(CCC(N)=[NH2+])C1 234796285 571963271 /nfs/dbraw/zinc/96/32/71/571963271.db2.gz INSQANZSYCVMAT-ZETCQYMHSA-N 1 3 171.244 0.033 10 0 ACAEHO CO[C@H]1C[C@H](NC[C@@H](C)[NH3+])C1(C)C 234799288 571963378 /nfs/dbraw/zinc/96/33/78/571963378.db2.gz QMAUAVKJVXLSPS-VGMNWLOBSA-N 1 3 186.299 0.737 10 0 ACAEHO C[NH2+]CC1(O)CCN(C(C)C)CC1 32007935 571963425 /nfs/dbraw/zinc/96/34/25/571963425.db2.gz MVVCAVSLIOXMBL-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+]CCCN)C1(C)C 234797123 571963481 /nfs/dbraw/zinc/96/34/81/571963481.db2.gz ZKCOEJTZUUMOAS-IUCAKERBSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@H]1C[C@H](NCCC[NH3+])C1(C)C 234797123 571963483 /nfs/dbraw/zinc/96/34/83/571963483.db2.gz ZKCOEJTZUUMOAS-IUCAKERBSA-N 1 3 186.299 0.738 10 0 ACAEHO COCCN[C@H]1CC[NH2+]CC1(C)C 300820837 571963598 /nfs/dbraw/zinc/96/35/98/571963598.db2.gz ISDLSKBNANFTPK-VIFPVBQESA-N 1 3 186.299 0.611 10 0 ACAEHO COCC[NH2+][C@H]1CCNCC1(C)C 300820837 571963600 /nfs/dbraw/zinc/96/36/00/571963600.db2.gz ISDLSKBNANFTPK-VIFPVBQESA-N 1 3 186.299 0.611 10 0 ACAEHO CO[C@H]1C[C@H](NCC[NH3+])C1(C)C 234797717 571964613 /nfs/dbraw/zinc/96/46/13/571964613.db2.gz RLEBSUCLRSHVGR-YUMQZZPRSA-N 1 3 172.272 0.348 10 0 ACAEHO CO[C@H]1CCN(CC[C@@H](C)[NH3+])C1 234803396 571964900 /nfs/dbraw/zinc/96/49/00/571964900.db2.gz GYKIGGIZGVCCEB-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@H]1CCN(C[C@@H](C)C(N)=[NH2+])C1 234805486 571965144 /nfs/dbraw/zinc/96/51/44/571965144.db2.gz DXUCFYIVPBESSL-SFYZADRCSA-N 1 3 185.271 0.279 10 0 ACAEHO CO[C@H]1CC[N@H+](C[C@@H](N)C(C)C)C1 234807342 571965332 /nfs/dbraw/zinc/96/53/32/571965332.db2.gz MGYCDTRZWVLSTH-VHSXEESVSA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@H]1CC[N@@H+](C[C@@H](N)C(C)C)C1 234807342 571965334 /nfs/dbraw/zinc/96/53/34/571965334.db2.gz MGYCDTRZWVLSTH-VHSXEESVSA-N 1 3 186.299 0.690 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCCC[C@@H]1N 40989390 571966500 /nfs/dbraw/zinc/96/65/00/571966500.db2.gz TYCAHMMHCPMCIO-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCCC[C@@H]1N 40989390 571966503 /nfs/dbraw/zinc/96/65/03/571966503.db2.gz TYCAHMMHCPMCIO-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCCC[C@@H]1N 40989393 571966568 /nfs/dbraw/zinc/96/65/68/571966568.db2.gz TYCAHMMHCPMCIO-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCCC[C@@H]1N 40989393 571966571 /nfs/dbraw/zinc/96/65/71/571966571.db2.gz TYCAHMMHCPMCIO-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO N[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 41030055 571966889 /nfs/dbraw/zinc/96/68/89/571966889.db2.gz RHSGGOHFQXONKF-HBNTYKKESA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCC[N@H+]([C@@H]2CCCC[C@H]2O)C1 41030055 571966893 /nfs/dbraw/zinc/96/68/93/571966893.db2.gz RHSGGOHFQXONKF-HBNTYKKESA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@H+]([C@@H]1CCSC1)C1(CN)CC1 234329731 571967295 /nfs/dbraw/zinc/96/72/95/571967295.db2.gz HJVWMAQEZBCRML-MRVPVSSYSA-N 1 3 186.324 0.915 10 0 ACAEHO C[N@@H+]([C@@H]1CCSC1)C1(CN)CC1 234329731 571967297 /nfs/dbraw/zinc/96/72/97/571967297.db2.gz HJVWMAQEZBCRML-MRVPVSSYSA-N 1 3 186.324 0.915 10 0 ACAEHO C[NH+](C)[C@H]1[C@H](CN)CC1(C)C 32150644 571967368 /nfs/dbraw/zinc/96/73/68/571967368.db2.gz XYWABILRSMHADD-YUMQZZPRSA-N 1 3 156.273 0.921 10 0 ACAEHO CO[C@@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C 234813187 571967531 /nfs/dbraw/zinc/96/75/31/571967531.db2.gz JOZFSVNPXZKQPV-DTWKUNHWSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H](CC[NH3+])N1CCCN(C)CC1 41042520 571967785 /nfs/dbraw/zinc/96/77/85/571967785.db2.gz SBESCUSOPIYFPN-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[NH+](C)[C@@H]1[C@@H](CN)CC1(C)C 32150632 571967982 /nfs/dbraw/zinc/96/79/82/571967982.db2.gz XYWABILRSMHADD-HTQZYQBOSA-N 1 3 156.273 0.921 10 0 ACAEHO C[NH+](C)[C@H]1[C@@H](CN)CC1(C)C 32150635 571968036 /nfs/dbraw/zinc/96/80/36/571968036.db2.gz XYWABILRSMHADD-SFYZADRCSA-N 1 3 156.273 0.921 10 0 ACAEHO C[NH+](C)[C@@H]1[C@H](CN)CC1(C)C 32150640 571968086 /nfs/dbraw/zinc/96/80/86/571968086.db2.gz XYWABILRSMHADD-JGVFFNPUSA-N 1 3 156.273 0.921 10 0 ACAEHO CO[C@H]1CCN(C/C=C/C[NH3+])C1 234809585 571968264 /nfs/dbraw/zinc/96/82/64/571968264.db2.gz VEQIQYMBBXNKND-HPOULIHZSA-N 1 3 170.256 0.222 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCCCC[C@@H]1N 40989395 571968536 /nfs/dbraw/zinc/96/85/36/571968536.db2.gz YGONWQSCMHVUBP-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCCCC[C@@H]1N 40989395 571968538 /nfs/dbraw/zinc/96/85/38/571968538.db2.gz YGONWQSCMHVUBP-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCCCC[C@@H]1N 40989398 571968552 /nfs/dbraw/zinc/96/85/52/571968552.db2.gz YGONWQSCMHVUBP-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCCCC[C@@H]1N 40989398 571968553 /nfs/dbraw/zinc/96/85/53/571968553.db2.gz YGONWQSCMHVUBP-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CO[C@H]1CCN([C@@H](C)CC[NH3+])C1 234813290 571968581 /nfs/dbraw/zinc/96/85/81/571968581.db2.gz PBJAIPOMYHGNNV-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO CN1CCN(C2(C[NH3+])CC2)CC1(C)C 234329012 571969119 /nfs/dbraw/zinc/96/91/19/571969119.db2.gz LDFIEGGRTCVCGP-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO CO[C@@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C 234814095 571969215 /nfs/dbraw/zinc/96/92/15/571969215.db2.gz KPPJSHIVYQARBC-VHSXEESVSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C 234814095 571969218 /nfs/dbraw/zinc/96/92/18/571969218.db2.gz KPPJSHIVYQARBC-VHSXEESVSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H]1CCN([C@@H](C)CC(N)=[NH2+])C1 234812706 571969410 /nfs/dbraw/zinc/96/94/10/571969410.db2.gz FBNMHPYLBYQUJT-YUMQZZPRSA-N 1 3 185.271 0.422 10 0 ACAEHO CC(C)NCC(C)(N)C[NH2+]C(C)C 113945382 571969885 /nfs/dbraw/zinc/96/98/85/571969885.db2.gz LGPNCPVQXWRXKV-UHFFFAOYSA-N 1 3 187.331 0.700 10 0 ACAEHO CO[C@@H]1CC[N@H+](C[C@@H](N)C(C)C)C1 234833379 571971497 /nfs/dbraw/zinc/97/14/97/571971497.db2.gz MGYCDTRZWVLSTH-NXEZZACHSA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@@H]1CC[N@@H+](C[C@@H](N)C(C)C)C1 234833379 571971500 /nfs/dbraw/zinc/97/15/00/571971500.db2.gz MGYCDTRZWVLSTH-NXEZZACHSA-N 1 3 186.299 0.690 10 0 ACAEHO CC[C@@H](C[NH3+])N1CC[C@H](COC)C1 81042614 571971688 /nfs/dbraw/zinc/97/16/88/571971688.db2.gz ZYYJXSXZAOBWEX-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CCN(C[C@@H](C)[C@@H](C)[NH3+])C1 234832787 571971745 /nfs/dbraw/zinc/97/17/45/571971745.db2.gz TXHIMZUTAZAGKJ-OPRDCNLKSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H]1CC[N@H+](C[C@H](C)CN)C1 81042632 571971746 /nfs/dbraw/zinc/97/17/46/571971746.db2.gz MTPQQBLUCPYVKE-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H]1CC[N@@H+](C[C@H](C)CN)C1 81042632 571971749 /nfs/dbraw/zinc/97/17/49/571971749.db2.gz MTPQQBLUCPYVKE-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO CN1CC[C@@H](NC[C@@H]2CCC[NH2+]2)C1 234335229 571972128 /nfs/dbraw/zinc/97/21/28/571972128.db2.gz DUVOFTFQPMEZJX-VHSXEESVSA-N 1 3 183.299 0.032 10 0 ACAEHO CC[C@H](C[NH3+])N1CC[C@H](COC)C1 81042617 571972212 /nfs/dbraw/zinc/97/22/12/571972212.db2.gz ZYYJXSXZAOBWEX-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CCN(CCC(N)=[NH2+])C1 234824347 571972522 /nfs/dbraw/zinc/97/25/22/571972522.db2.gz INSQANZSYCVMAT-SSDOTTSWSA-N 1 3 171.244 0.033 10 0 ACAEHO CO[C@@H]1CCN(CC[C@@H](C)[NH3+])C1 234829813 571972532 /nfs/dbraw/zinc/97/25/32/571972532.db2.gz GYKIGGIZGVCCEB-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO COC[C@H]1CCN([C@@H]2CCC[C@@H]2[NH3+])C1 81051483 571972837 /nfs/dbraw/zinc/97/28/37/571972837.db2.gz LFHGCNUFPVIXGU-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CCN(C[C@@H](C)C(N)=[NH2+])C1 234831730 571972919 /nfs/dbraw/zinc/97/29/19/571972919.db2.gz DXUCFYIVPBESSL-HTQZYQBOSA-N 1 3 185.271 0.279 10 0 ACAEHO CO[C@@H]1CCN(C[C@@H](C)C[NH3+])C1 234832100 571972979 /nfs/dbraw/zinc/97/29/79/571972979.db2.gz SNJKLJFSDGKIFC-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C 234845624 571973593 /nfs/dbraw/zinc/97/35/93/571973593.db2.gz GCBCKTVZHAZURS-DJLDLDEBSA-N 1 3 186.299 0.737 10 0 ACAEHO COCCC1(C[NH2+]CC2CNC2)CC1 234842377 571973952 /nfs/dbraw/zinc/97/39/52/571973952.db2.gz ARYXKHHFQUQPPL-UHFFFAOYSA-N 1 3 198.310 0.612 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)CN)C1 234839621 571974059 /nfs/dbraw/zinc/97/40/59/571974059.db2.gz MEFNYNYBUCSUIV-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)CN)C1 234839621 571974062 /nfs/dbraw/zinc/97/40/62/571974062.db2.gz MEFNYNYBUCSUIV-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO CO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C1(C)C 234842816 571974138 /nfs/dbraw/zinc/97/41/38/571974138.db2.gz QMAUAVKJVXLSPS-IWSPIJDZSA-N 1 3 186.299 0.737 10 0 ACAEHO COC[C@H]1CC[N@H+](CCCN)C1 81076310 571974638 /nfs/dbraw/zinc/97/46/38/571974638.db2.gz PMVMIBZKDCTDRS-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO COC[C@H]1CC[N@@H+](CCCN)C1 81076310 571974641 /nfs/dbraw/zinc/97/46/41/571974641.db2.gz PMVMIBZKDCTDRS-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO COC[C@H]1CCN(CCC[NH3+])C1 81076310 571974644 /nfs/dbraw/zinc/97/46/44/571974644.db2.gz PMVMIBZKDCTDRS-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO CO[C@@H]1CCN([C@@H](C)C[C@@H](C)[NH3+])C1 234838837 571974964 /nfs/dbraw/zinc/97/49/64/571974964.db2.gz BTHCZMADQMEBQS-KXUCPTDWSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@@H]1CCN(C/C=C/C[NH3+])C1 234835619 571975005 /nfs/dbraw/zinc/97/50/05/571975005.db2.gz VEQIQYMBBXNKND-GKQMSVHHSA-N 1 3 170.256 0.222 10 0 ACAEHO COC[C@@H]1CC[N@H+](CCCN)C1 81076305 571975069 /nfs/dbraw/zinc/97/50/69/571975069.db2.gz PMVMIBZKDCTDRS-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO COC[C@@H]1CC[N@@H+](CCCN)C1 81076305 571975070 /nfs/dbraw/zinc/97/50/70/571975070.db2.gz PMVMIBZKDCTDRS-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO COC[C@@H]1CCN(CCC[NH3+])C1 81076305 571975073 /nfs/dbraw/zinc/97/50/73/571975073.db2.gz PMVMIBZKDCTDRS-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO CO[C@@H]1C[C@@H]([NH2+]CCCN)C1(C)C 234840577 571975074 /nfs/dbraw/zinc/97/50/74/571975074.db2.gz ZKCOEJTZUUMOAS-RKDXNWHRSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@@H]1C[C@@H](NCCC[NH3+])C1(C)C 234840577 571975075 /nfs/dbraw/zinc/97/50/75/571975075.db2.gz ZKCOEJTZUUMOAS-RKDXNWHRSA-N 1 3 186.299 0.738 10 0 ACAEHO COCCC1(C[NH2+]C2CC(N)C2)CC1 234837911 571975190 /nfs/dbraw/zinc/97/51/90/571975190.db2.gz UIRMDIXBWIOOGG-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO COCCC1(CNC2CC([NH3+])C2)CC1 234837911 571975193 /nfs/dbraw/zinc/97/51/93/571975193.db2.gz UIRMDIXBWIOOGG-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@@H]1CCN(C(C)(C)C[NH3+])C1 81048796 571975208 /nfs/dbraw/zinc/97/52/08/571975208.db2.gz HDFAOULCEMPEFW-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CCN([C@@H](C)CC(N)=[NH2+])C1 234837916 571975980 /nfs/dbraw/zinc/97/59/80/571975980.db2.gz FBNMHPYLBYQUJT-JGVFFNPUSA-N 1 3 185.271 0.422 10 0 ACAEHO COC[C@H]1CCN(CCC(N)=[NH2+])C1 81079330 571975967 /nfs/dbraw/zinc/97/59/67/571975967.db2.gz LRKGKJNKKQNXPI-QMMMGPOBSA-N 1 3 185.271 0.281 10 0 ACAEHO COC[C@H]1CCN([C@@H](C[NH3+])C2CC2)C1 81049510 571976000 /nfs/dbraw/zinc/97/60/00/571976000.db2.gz YPDHTYHUIASNTI-ONGXEEELSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@H]1CCN(C(C)(C)C[NH3+])C1 81048794 571976297 /nfs/dbraw/zinc/97/62/97/571976297.db2.gz HDFAOULCEMPEFW-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@@H]1CCN(CCC(N)=[NH2+])C1 81079326 571976570 /nfs/dbraw/zinc/97/65/70/571976570.db2.gz LRKGKJNKKQNXPI-MRVPVSSYSA-N 1 3 185.271 0.281 10 0 ACAEHO CO[C@H]1CC[C@H]([NH2+]CCCN)C1 234848017 571977531 /nfs/dbraw/zinc/97/75/31/571977531.db2.gz FLXVRTHRWUZZJV-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CN(C)CCN1CC[NH2+]C(C)(C)C1 41203295 571980424 /nfs/dbraw/zinc/98/04/24/571980424.db2.gz ZOHPORKOQKSZBQ-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO CO[C@H]1CCN(CCC2([NH3+])CCC2)C1 234858367 571980687 /nfs/dbraw/zinc/98/06/87/571980687.db2.gz UQEMZXUDHMMTJT-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CO[C@@H]1C[C@H]([NH2+]CCCN)C1(C)C 234858219 571980586 /nfs/dbraw/zinc/98/05/86/571980586.db2.gz ZKCOEJTZUUMOAS-DTWKUNHWSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@@H]1C[C@H](NCCC[NH3+])C1(C)C 234858219 571980589 /nfs/dbraw/zinc/98/05/89/571980589.db2.gz ZKCOEJTZUUMOAS-DTWKUNHWSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@H]1CCN(CC[C@@H]([NH3+])C2CC2)C1 234868665 571982107 /nfs/dbraw/zinc/98/21/07/571982107.db2.gz ARCLBLLJWYZDRX-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1CC[N@H+](C[C@@H](N)C2CC2)C1 234874633 571982424 /nfs/dbraw/zinc/98/24/24/571982424.db2.gz GLVDGTQSTMVECX-VHSXEESVSA-N 1 3 184.283 0.444 10 0 ACAEHO CO[C@H]1CC[N@@H+](C[C@@H](N)C2CC2)C1 234874633 571982427 /nfs/dbraw/zinc/98/24/27/571982427.db2.gz GLVDGTQSTMVECX-VHSXEESVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[NH2+]C(C)(C)CN1CCN(C)C 41210057 571982719 /nfs/dbraw/zinc/98/27/19/571982719.db2.gz CGLPBDYTLDPAFO-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO CO[C@H]1CCN(C[C@@H]2C[NH2+]C[C@@H]2C)C1 234880111 571982874 /nfs/dbraw/zinc/98/28/74/571982874.db2.gz FVVVKONQEIFHMF-DCAQKATOSA-N 1 3 198.310 0.563 10 0 ACAEHO C[C@H]1C[NH2+]C(C)(C)CN1CCN(C)C 41210059 571983109 /nfs/dbraw/zinc/98/31/09/571983109.db2.gz CGLPBDYTLDPAFO-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@H](O)[C@H](N)Cc1ccccc1 113962334 571983795 /nfs/dbraw/zinc/98/37/95/571983795.db2.gz QMDMABSQQJKAJN-MNOVXSKESA-N 1 3 194.278 0.137 10 0 ACAEHO CO[C@H]1CC[N@H+](C[C@@](C)(N)C2CC2)C1 234881720 571985539 /nfs/dbraw/zinc/98/55/39/571985539.db2.gz SDDLPAXKFJNOLO-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1CC[N@@H+](C[C@@](C)(N)C2CC2)C1 234881720 571985541 /nfs/dbraw/zinc/98/55/41/571985541.db2.gz SDDLPAXKFJNOLO-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C)CC[C@H]([NH3+])[C@H]1CCOC1 167841806 571987223 /nfs/dbraw/zinc/98/72/23/571987223.db2.gz SODQVMMZCMKWHO-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])[C@@H]1CCOC1 167841691 571988207 /nfs/dbraw/zinc/98/82/07/571988207.db2.gz SODQVMMZCMKWHO-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CN(C)CC[C@H]([NH3+])[C@@H]1CCOC1 167841578 571988457 /nfs/dbraw/zinc/98/84/57/571988457.db2.gz SODQVMMZCMKWHO-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CC[C@]1(NCCC[NH3+])CCOC1 393443479 571988887 /nfs/dbraw/zinc/98/88/87/571988887.db2.gz PXXJCJRKBQLRFT-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO CC[C@]1([NH2+]CCCN)CCOC1 393443479 571988888 /nfs/dbraw/zinc/98/88/88/571988888.db2.gz PXXJCJRKBQLRFT-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO [NH3+]CCc1c(C2CC2)[nH]c2c1CNC2 214658678 571988987 /nfs/dbraw/zinc/98/89/87/571988987.db2.gz MWMXAHFRGGQGMD-UHFFFAOYSA-N 1 3 191.278 0.997 10 0 ACAEHO CNc1nccn1CCC[NH+](C)C 234492496 571989573 /nfs/dbraw/zinc/98/95/73/571989573.db2.gz CQCCJNAUABEQKQ-UHFFFAOYSA-N 1 3 182.271 0.877 10 0 ACAEHO CC[C@@]1(NCCC[NH3+])CCOC1 393443476 571989417 /nfs/dbraw/zinc/98/94/17/571989417.db2.gz PXXJCJRKBQLRFT-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO CC[C@@]1([NH2+]CCCN)CCOC1 393443476 571989421 /nfs/dbraw/zinc/98/94/21/571989421.db2.gz PXXJCJRKBQLRFT-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO COCC[C@H](C[NH3+])Nc1ccncc1 300854367 571990600 /nfs/dbraw/zinc/99/06/00/571990600.db2.gz LKUAXVCGAIRQDA-SNVBAGLBSA-N 1 3 195.266 0.857 10 0 ACAEHO COCC[C@H](C)[NH2+]C1CCNCC1 81722371 571990621 /nfs/dbraw/zinc/99/06/21/571990621.db2.gz POJYGUYOMBDCEZ-VIFPVBQESA-N 1 3 186.299 0.753 10 0 ACAEHO COCC[C@@H](C)[NH2+]C1CCNCC1 81709444 571990706 /nfs/dbraw/zinc/99/07/06/571990706.db2.gz POJYGUYOMBDCEZ-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO CO[C@@H](CNCC[C@H](C)[NH3+])C1CC1 393443467 571990911 /nfs/dbraw/zinc/99/09/11/571990911.db2.gz PXUHMFXSSUTWQQ-WPRPVWTQSA-N 1 3 186.299 0.738 10 0 ACAEHO Cc1nn[nH]c1[C@H](N)CCC[NH+](C)C 74239145 571991177 /nfs/dbraw/zinc/99/11/77/571991177.db2.gz GAFJQNMOWALVCN-MRVPVSSYSA-N 1 3 197.286 0.455 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@]2(CCN(C)C2)O1 686232661 571992530 /nfs/dbraw/zinc/99/25/30/571992530.db2.gz FMPYGXMKOVQDTB-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@]2(CCN(C)C2)O1 686232660 571992754 /nfs/dbraw/zinc/99/27/54/571992754.db2.gz FMPYGXMKOVQDTB-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[N@H+](CCN)[C@H]1CCN(C)[C@H](C)C1 300865572 571995328 /nfs/dbraw/zinc/99/53/28/571995328.db2.gz WEEZWXXRLNEVKM-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC(C)C[C@H](N)C(=O)CC[NH+](C)C 74279939 571995099 /nfs/dbraw/zinc/99/50/99/571995099.db2.gz XVSJGZSWNJAOIS-VIFPVBQESA-N 1 3 186.299 0.881 10 0 ACAEHO C[NH2+]CC[C@H](C)N1CC[C@@H](OC)C1 234385539 571995141 /nfs/dbraw/zinc/99/51/41/571995141.db2.gz PIIOXBXCDGKDGY-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[N@@H+](CCN)[C@H]1CCN(C)[C@H](C)C1 300865572 571995329 /nfs/dbraw/zinc/99/53/29/571995329.db2.gz WEEZWXXRLNEVKM-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](CCN)[C@@H]1CCN(C)[C@H](C)C1 300865566 571995771 /nfs/dbraw/zinc/99/57/71/571995771.db2.gz WEEZWXXRLNEVKM-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@@H+](CCN)[C@@H]1CCN(C)[C@H](C)C1 300865566 571995772 /nfs/dbraw/zinc/99/57/72/571995772.db2.gz WEEZWXXRLNEVKM-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CC[S@](C)=O)[NH2+]CCCN 230088858 571995789 /nfs/dbraw/zinc/99/57/89/571995789.db2.gz QUQBUGXMMLDILZ-UFBFGSQYSA-N 1 3 192.328 0.082 10 0 ACAEHO C[C@@H](CC[S@](C)=O)NCCC[NH3+] 230088858 571995792 /nfs/dbraw/zinc/99/57/92/571995792.db2.gz QUQBUGXMMLDILZ-UFBFGSQYSA-N 1 3 192.328 0.082 10 0 ACAEHO CC[N@H+](CCN)[C@@H]1CCN(C)[C@@H](C)C1 300865580 571997111 /nfs/dbraw/zinc/99/71/11/571997111.db2.gz WEEZWXXRLNEVKM-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@@H+](CCN)[C@@H]1CCN(C)[C@@H](C)C1 300865580 571997114 /nfs/dbraw/zinc/99/71/14/571997114.db2.gz WEEZWXXRLNEVKM-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CC(C)[C@@H](O)CN(C)C[C@@H](C)C[NH3+] 300877833 571998287 /nfs/dbraw/zinc/99/82/87/571998287.db2.gz MEPVIIVVKZLDFI-UWVGGRQHSA-N 1 3 188.315 0.530 10 0 ACAEHO CC(C)[C@@H](O)CN(C)CCC[NH3+] 300876510 571999052 /nfs/dbraw/zinc/99/90/52/571999052.db2.gz LYHQKFKZGCHDJW-VIFPVBQESA-N 1 3 174.288 0.284 10 0 ACAEHO CC(C)[C@H](O)CN(C)C[C@@H](C)C[NH3+] 300877836 571999428 /nfs/dbraw/zinc/99/94/28/571999428.db2.gz MEPVIIVVKZLDFI-VHSXEESVSA-N 1 3 188.315 0.530 10 0 ACAEHO C[C@H]1C[C@H](N2C[C@@H]3C[NH2+]C[C@@H]3C2)CO1 401911594 572000232 /nfs/dbraw/zinc/00/02/32/572000232.db2.gz XKDMHZMYYAPNRX-MMWGEVLESA-N 1 3 196.294 0.315 10 0 ACAEHO CN(C)CCN(C)C[C@H]([NH3+])C1CC1 68897822 572000810 /nfs/dbraw/zinc/00/08/10/572000810.db2.gz OBBMBDHIZFMKFI-JTQLQIEISA-N 1 3 185.315 0.217 10 0 ACAEHO NC1CC([NH2+]C[C@@]23COC[C@@H]2C3)C1 689259361 572001196 /nfs/dbraw/zinc/00/11/96/572001196.db2.gz IBYIPWBQXSOFDB-NFTFJBJSSA-N 1 3 182.267 0.102 10 0 ACAEHO [NH3+]C1CC(NC[C@@]23COC[C@@H]2C3)C1 689259361 572001201 /nfs/dbraw/zinc/00/12/01/572001201.db2.gz IBYIPWBQXSOFDB-NFTFJBJSSA-N 1 3 182.267 0.102 10 0 ACAEHO C[C@@H](C[NH3+])N1C[C@H]2CSC[C@H]2C1 711549034 572001372 /nfs/dbraw/zinc/00/13/72/572001372.db2.gz YICGBTIECQYGOT-XHNCKOQMSA-N 1 3 186.324 0.628 10 0 ACAEHO C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1CN 300221215 572001789 /nfs/dbraw/zinc/00/17/89/572001789.db2.gz OQTBAHYVDGXCDZ-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO COCCC[N@H+](C)C[C@H](N)C1CC1 68897170 572001678 /nfs/dbraw/zinc/00/16/78/572001678.db2.gz JCOMVZMSFVXMOM-JTQLQIEISA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@@H+](C)C[C@H](N)C1CC1 68897170 572001681 /nfs/dbraw/zinc/00/16/81/572001681.db2.gz JCOMVZMSFVXMOM-JTQLQIEISA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1CN 300221215 572001791 /nfs/dbraw/zinc/00/17/91/572001791.db2.gz OQTBAHYVDGXCDZ-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[NH2+][C@H](CN(C)CCN(C)C)C1CC1 68897832 572002079 /nfs/dbraw/zinc/00/20/79/572002079.db2.gz OHBLRHJXTDMERU-LLVKDONJSA-N 1 3 199.342 0.478 10 0 ACAEHO C[NH2+]C[C@@]1(C)CC[C@]2(CCN(C)C2)O1 686233866 572002459 /nfs/dbraw/zinc/00/24/59/572002459.db2.gz CKDHXUXDWQSZGJ-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+][C@@H](CN(C)CCN(C)C)C1CC1 68897828 572002334 /nfs/dbraw/zinc/00/23/34/572002334.db2.gz OHBLRHJXTDMERU-NSHDSACASA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@H](C[NH3+])N1C[C@H]2CSC[C@H]2C1 711549032 572003017 /nfs/dbraw/zinc/00/30/17/572003017.db2.gz YICGBTIECQYGOT-HLTSFMKQSA-N 1 3 186.324 0.628 10 0 ACAEHO COCCC[N@H+](C)C[C@@H](N)C1CC1 68897174 572003340 /nfs/dbraw/zinc/00/33/40/572003340.db2.gz JCOMVZMSFVXMOM-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@@H+](C)C[C@@H](N)C1CC1 68897174 572003342 /nfs/dbraw/zinc/00/33/42/572003342.db2.gz JCOMVZMSFVXMOM-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C[C@]1(C)CC[C@@]2(CCN(C)C2)O1 686233872 572003431 /nfs/dbraw/zinc/00/34/31/572003431.db2.gz CKDHXUXDWQSZGJ-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)[C@H](O)CN(C)[C@@H](C)CC[NH3+] 300880786 572004002 /nfs/dbraw/zinc/00/40/02/572004002.db2.gz MTDXXQOLJVSBHM-VHSXEESVSA-N 1 3 188.315 0.672 10 0 ACAEHO CC(C)[C@H](O)CN(C)[C@H](C)CC[NH3+] 300880784 572004036 /nfs/dbraw/zinc/00/40/36/572004036.db2.gz MTDXXQOLJVSBHM-NXEZZACHSA-N 1 3 188.315 0.672 10 0 ACAEHO C[NH2+]CCOCCN(C)C1CC1 234390084 572004551 /nfs/dbraw/zinc/00/45/51/572004551.db2.gz PPLFNXAIZDTFJP-UHFFFAOYSA-N 1 3 172.272 0.317 10 0 ACAEHO CC(C)[C@@H](O)CN(C)[C@H](C)CC[NH3+] 300880788 572005497 /nfs/dbraw/zinc/00/54/97/572005497.db2.gz MTDXXQOLJVSBHM-ZJUUUORDSA-N 1 3 188.315 0.672 10 0 ACAEHO CCN(CC1CC1)C[C@H](O)C[NH3+] 68946592 572004978 /nfs/dbraw/zinc/00/49/78/572004978.db2.gz LOAWDTJGLCDGRT-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CCN(CC1CC1)C[C@@H](O)C[NH3+] 68946594 572005110 /nfs/dbraw/zinc/00/51/10/572005110.db2.gz LOAWDTJGLCDGRT-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CCN(CC1CC1)C[C@H](O)C[NH2+]C 68946604 572005210 /nfs/dbraw/zinc/00/52/10/572005210.db2.gz BPXOEPUUHZNSKX-SNVBAGLBSA-N 1 3 186.299 0.299 10 0 ACAEHO [NH3+][C@H](CCO)CN1CC[C@H]2CCC[C@H]21 393451657 572005568 /nfs/dbraw/zinc/00/55/68/572005568.db2.gz FWFPTBIJEMJDMF-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@H](CCO)CN1CC[C@@H]2CCC[C@@H]21 393451651 572005622 /nfs/dbraw/zinc/00/56/22/572005622.db2.gz FWFPTBIJEMJDMF-AXFHLTTASA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@H]1CCN(C)[C@H](C[NH3+])CN1C1CC1 219632345 572006271 /nfs/dbraw/zinc/00/62/71/572006271.db2.gz PCJAYVWIXBFDDN-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC[C@H](CO)C1 34685006 572007292 /nfs/dbraw/zinc/00/72/92/572007292.db2.gz QTMWDSMNFACQOJ-ZJUUUORDSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@H]1CN(CCCC(N)=[NH2+])C[C@H](C)O1 34689379 572006851 /nfs/dbraw/zinc/00/68/51/572006851.db2.gz QBKRUJVURODRAO-IUCAKERBSA-N 1 3 199.298 0.812 10 0 ACAEHO CC[NH+](CC)C[C@H](O)CNC(C)C 34978438 572007087 /nfs/dbraw/zinc/00/70/87/572007087.db2.gz KALDUGPFBZWWCQ-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CCCC[N@H+](C)C[C@H](O)CNCC 34978512 572007144 /nfs/dbraw/zinc/00/71/44/572007144.db2.gz BXXBFXVIUFQROV-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCCC[N@@H+](C)C[C@H](O)CNCC 34978512 572007145 /nfs/dbraw/zinc/00/71/45/572007145.db2.gz BXXBFXVIUFQROV-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO NC(=[NH2+])CCN1CCCC[C@H]1CCO 34689317 572007155 /nfs/dbraw/zinc/00/71/55/572007155.db2.gz OKHJCHRWTFKAFJ-VIFPVBQESA-N 1 3 199.298 0.549 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CCC[C@H](CO)C1 34685006 572007280 /nfs/dbraw/zinc/00/72/80/572007280.db2.gz QTMWDSMNFACQOJ-ZJUUUORDSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@H](CN)C[N@H+]1CCC[C@H](CO)C1 34685006 572007286 /nfs/dbraw/zinc/00/72/86/572007286.db2.gz QTMWDSMNFACQOJ-ZJUUUORDSA-N 1 3 186.299 0.286 10 0 ACAEHO C[NH2+]C[C@@H](C)N1CCN(C)C[C@@H]1C 234361646 572007343 /nfs/dbraw/zinc/00/73/43/572007343.db2.gz XDOOMYQKAKTGMX-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+][C@H](C)[C@@H](C)CN 220945980 572008025 /nfs/dbraw/zinc/00/80/25/572008025.db2.gz NIGYWDGXGONHOR-NTSWFWBYSA-N 1 3 116.208 0.189 10 0 ACAEHO C[C@@H]1CN(C)C[C@H](C[NH3+])N(C2CC2)C1 219633407 572008107 /nfs/dbraw/zinc/00/81/07/572008107.db2.gz JYHWHWFGHROQIT-KOLCDFICSA-N 1 3 197.326 0.360 10 0 ACAEHO CC[NH+](CC)C[C@@H](O)CNC(C)C 34978440 572008713 /nfs/dbraw/zinc/00/87/13/572008713.db2.gz KALDUGPFBZWWCQ-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CC[C@@H]1CN(CCC(N)=[NH2+])CCCO1 300881373 572009727 /nfs/dbraw/zinc/00/97/27/572009727.db2.gz LLXZQUONIQBMQI-SECBINFHSA-N 1 3 199.298 0.813 10 0 ACAEHO CCN(CCC[NH3+])CCN(C)C 34960291 572009902 /nfs/dbraw/zinc/00/99/02/572009902.db2.gz YJTXRFFUKQYVPG-UHFFFAOYSA-N 1 3 173.304 0.219 10 0 ACAEHO CCN(CCC(N)=[NH2+])C1CCOCC1 68955454 572009920 /nfs/dbraw/zinc/00/99/20/572009920.db2.gz DWXWUGRQYSONHF-UHFFFAOYSA-N 1 3 199.298 0.813 10 0 ACAEHO CN(C)CCN(CCC[NH3+])C1CC1 34960435 572010548 /nfs/dbraw/zinc/01/05/48/572010548.db2.gz 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CCN1CCN(C[C@H](C)[NH2+]C)[C@H](C)C1 250204543 572016754 /nfs/dbraw/zinc/01/67/54/572016754.db2.gz BUGBOWZLGUAXJM-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1C[C@H](NCCC(=[NH2+])NO)CO1 402135499 572016830 /nfs/dbraw/zinc/01/68/30/572016830.db2.gz IMGUNQDIASVJTC-BQBZGAKWSA-N 1 3 187.243 0.100 10 0 ACAEHO CCCN1CCN(CCC[NH2+]C)CC1 42409314 572016947 /nfs/dbraw/zinc/01/69/47/572016947.db2.gz HGWAXXOJWKKCLA-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO CCC1CC[NH+](C[C@H](O)CN)CC1 42446570 572017706 /nfs/dbraw/zinc/01/77/06/572017706.db2.gz UVCSZFXZMYNWGM-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC1CCN(C[C@H](O)C[NH3+])CC1 42446570 572017709 /nfs/dbraw/zinc/01/77/09/572017709.db2.gz UVCSZFXZMYNWGM-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](O)C1 300239976 572018305 /nfs/dbraw/zinc/01/83/05/572018305.db2.gz BWAVEMOFZXQHGN-ZJUUUORDSA-N 1 3 186.299 0.284 10 0 ACAEHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](O)C1 300239976 572018309 /nfs/dbraw/zinc/01/83/09/572018309.db2.gz BWAVEMOFZXQHGN-ZJUUUORDSA-N 1 3 186.299 0.284 10 0 ACAEHO CC(C)[C@H](C[NH3+])CN1CC[C@H](O)C1 300239976 572018311 /nfs/dbraw/zinc/01/83/11/572018311.db2.gz BWAVEMOFZXQHGN-ZJUUUORDSA-N 1 3 186.299 0.284 10 0 ACAEHO NC(=[NH2+])CCN1CCCSCC1 42444042 572018807 /nfs/dbraw/zinc/01/88/07/572018807.db2.gz NJFPCSJPCXULNY-UHFFFAOYSA-N 1 3 187.312 0.751 10 0 ACAEHO CC(C)[C@@H](CN)C[N@@H+]1CC[C@H](O)C1 300239975 572019524 /nfs/dbraw/zinc/01/95/24/572019524.db2.gz BWAVEMOFZXQHGN-UWVGGRQHSA-N 1 3 186.299 0.284 10 0 ACAEHO CC(C)[C@@H](CN)C[N@H+]1CC[C@H](O)C1 300239975 572019527 /nfs/dbraw/zinc/01/95/27/572019527.db2.gz BWAVEMOFZXQHGN-UWVGGRQHSA-N 1 3 186.299 0.284 10 0 ACAEHO CC(C)[C@@H](C[NH3+])CN1CC[C@H](O)C1 300239975 572019530 /nfs/dbraw/zinc/01/95/30/572019530.db2.gz BWAVEMOFZXQHGN-UWVGGRQHSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](C[NH3+])CN(C)CCN(C)C 42455993 572019604 /nfs/dbraw/zinc/01/96/04/572019604.db2.gz OIIHLAVTEHASRY-SECBINFHSA-N 1 3 173.304 0.075 10 0 ACAEHO CCC(C)(C)N(C)C[C@@H](O)C[NH2+]C 68996339 572019709 /nfs/dbraw/zinc/01/97/09/572019709.db2.gz GVDRMCIXBQVRMS-VIFPVBQESA-N 1 3 188.315 0.687 10 0 ACAEHO CCC(C)(C)N(C)C[C@H](O)C[NH2+]C 68996335 572019902 /nfs/dbraw/zinc/01/99/02/572019902.db2.gz GVDRMCIXBQVRMS-SECBINFHSA-N 1 3 188.315 0.687 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@H](O)C1 42470193 572020447 /nfs/dbraw/zinc/02/04/47/572020447.db2.gz FDFQXQZWJOVPSC-AXFHLTTASA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@H+]1CCC[C@H](O)C1 42470193 572020448 /nfs/dbraw/zinc/02/04/48/572020448.db2.gz FDFQXQZWJOVPSC-AXFHLTTASA-N 1 3 198.310 0.713 10 0 ACAEHO CC[C@](C)([NH3+])C1CNC1 687774459 572020606 /nfs/dbraw/zinc/02/06/06/572020606.db2.gz LDAUBHYRQQLKNI-ZETCQYMHSA-N 1 3 128.219 0.333 10 0 ACAEHO CCC([NH3+])(CC)C1CNC1 687774473 572020935 /nfs/dbraw/zinc/02/09/35/572020935.db2.gz OQQFEUVPCJSIPB-UHFFFAOYSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]1CN(C)CCN1CCCCC[NH3+] 235579890 572020994 /nfs/dbraw/zinc/02/09/94/572020994.db2.gz FVJKXSBQZPRCCC-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@@](C)([NH3+])C1CNC1 687774456 572021344 /nfs/dbraw/zinc/02/13/44/572021344.db2.gz LDAUBHYRQQLKNI-SSDOTTSWSA-N 1 3 128.219 0.333 10 0 ACAEHO CC(C)[C@@H](C[NH3+])CN(C)[C@H](C)CO 300242947 572022075 /nfs/dbraw/zinc/02/20/75/572022075.db2.gz QUCKEKUYWPAMRX-ZJUUUORDSA-N 1 3 188.315 0.530 10 0 ACAEHO CC(C)[C@H](C[NH3+])CN(C)[C@H](C)CO 300242945 572022819 /nfs/dbraw/zinc/02/28/19/572022819.db2.gz QUCKEKUYWPAMRX-NXEZZACHSA-N 1 3 188.315 0.530 10 0 ACAEHO CCCN(CCC[NH3+])[C@@H]1CCOC1 82456067 572023112 /nfs/dbraw/zinc/02/31/12/572023112.db2.gz OGJSHZSCTYNDCF-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CCCN(CCC[NH3+])[C@H]1CCOC1 82456068 572023620 /nfs/dbraw/zinc/02/36/20/572023620.db2.gz OGJSHZSCTYNDCF-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CN(C)CCN1CCCC[C@H]1CC[NH3+] 82383539 572024005 /nfs/dbraw/zinc/02/40/05/572024005.db2.gz RDVBNVCPUMGTGJ-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CN(C)CCc1nc(CC[NH3+])cs1 82383553 572024964 /nfs/dbraw/zinc/02/49/64/572024964.db2.gz KZZNJHMEMHILQV-UHFFFAOYSA-N 1 3 199.323 0.748 10 0 ACAEHO CCCC[N@H+](CCO)[C@@H](C)CCN 42492052 572025283 /nfs/dbraw/zinc/02/52/83/572025283.db2.gz KIADKTWIISZJMD-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCCC[N@@H+](CCO)[C@@H](C)CCN 42492052 572025287 /nfs/dbraw/zinc/02/52/87/572025287.db2.gz KIADKTWIISZJMD-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCCCN(CCO)[C@@H](C)CC[NH3+] 42492052 572025289 /nfs/dbraw/zinc/02/52/89/572025289.db2.gz KIADKTWIISZJMD-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CC(C)[C@H](C[NH3+])CN(C)C[C@H](C)O 300243276 572025411 /nfs/dbraw/zinc/02/54/11/572025411.db2.gz RUEFSZDNTAXHCR-VHSXEESVSA-N 1 3 188.315 0.530 10 0 ACAEHO CCC(CC)[N@H+](CCO)CCCN 42499666 572025422 /nfs/dbraw/zinc/02/54/22/572025422.db2.gz PHGFYTFUZAHUJY-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO CCC(CC)[N@@H+](CCO)CCCN 42499666 572025425 /nfs/dbraw/zinc/02/54/25/572025425.db2.gz PHGFYTFUZAHUJY-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO C[C@H]1CN(C)CCN1CC[NH2+]C1CC1 235581487 572026059 /nfs/dbraw/zinc/02/60/59/572026059.db2.gz FQIQSUJTJLIFRM-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1CCC[C@@H](C[NH3+])N1CCN(C)C 82451077 572028561 /nfs/dbraw/zinc/02/85/61/572028561.db2.gz LAHFHUOTZXFALJ-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1CCC[C@H](C[NH3+])N1CCN(C)C 82451071 572028999 /nfs/dbraw/zinc/02/89/99/572028999.db2.gz LAHFHUOTZXFALJ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1CCC[C@@H](C[NH3+])N1CCN(C)C 82451075 572030071 /nfs/dbraw/zinc/03/00/71/572030071.db2.gz LAHFHUOTZXFALJ-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO NC1(C2C[NH2+]C2)Cc2ccccc2C1 687775815 572030242 /nfs/dbraw/zinc/03/02/42/572030242.db2.gz VLRDLJIZTVVLDQ-UHFFFAOYSA-N 1 3 188.274 0.702 10 0 ACAEHO C[C@H]1CCC[C@H](C[NH3+])N1CCN(C)C 82451072 572030832 /nfs/dbraw/zinc/03/08/32/572030832.db2.gz LAHFHUOTZXFALJ-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CO[C@H]1CCN(CCC[NH3+])[C@@H](C)C1 300897565 572030960 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198.314 0.338 10 0 ACAEHO CO[C@H]1CCN(CCC[NH3+])[C@H](C)C1 300897567 572032371 /nfs/dbraw/zinc/03/23/71/572032371.db2.gz NHKPUADRKZXVSX-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H]1CC[N@H+](CCCN)[C@H](C)C1 300897567 572032374 /nfs/dbraw/zinc/03/23/74/572032374.db2.gz NHKPUADRKZXVSX-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H]1CC[N@@H+](CCCN)[C@H](C)C1 300897567 572032376 /nfs/dbraw/zinc/03/23/76/572032376.db2.gz NHKPUADRKZXVSX-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1COCCN1CCCC[NH3+] 35774134 572033698 /nfs/dbraw/zinc/03/36/98/572033698.db2.gz AHHOYTRDCIYOHN-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C1C[NH+]=C([C@H]2CN3CCC2CC3)N1 33755551 572033859 /nfs/dbraw/zinc/03/38/59/572033859.db2.gz ZBWBVUNMTDVBLU-VIFPVBQESA-N 1 3 179.267 0.330 10 0 ACAEHO CCN(CCC[NH3+])C[C@H](O)C(C)C 300898024 572034133 /nfs/dbraw/zinc/03/41/33/572034133.db2.gz PRXVZJXGGNAHRD-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CCN(CCN(C)C)[C@@H]1CCC[NH2+]C1 82500847 572034524 /nfs/dbraw/zinc/03/45/24/572034524.db2.gz NRNFADZJXKTHGO-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C1C[NH+]=C([C@@H]2CN3CCC2CC3)N1 33755550 572034599 /nfs/dbraw/zinc/03/45/99/572034599.db2.gz ZBWBVUNMTDVBLU-SECBINFHSA-N 1 3 179.267 0.330 10 0 ACAEHO CCN(CCC[NH3+])C[C@@H](O)C(C)C 300898026 572034624 /nfs/dbraw/zinc/03/46/24/572034624.db2.gz PRXVZJXGGNAHRD-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CCN(CCN(C)C)[C@H]1CCC[NH2+]C1 82500848 572035312 /nfs/dbraw/zinc/03/53/12/572035312.db2.gz NRNFADZJXKTHGO-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC(C)C[C@@H](C)[C@H](C[NH3+])NCCO 300900743 572035418 /nfs/dbraw/zinc/03/54/18/572035418.db2.gz KWSZWSVOGAWYAK-ZJUUUORDSA-N 1 3 188.315 0.578 10 0 ACAEHO CC(C)C[C@H](C)[C@H](C[NH3+])NCCO 300900739 572035449 /nfs/dbraw/zinc/03/54/49/572035449.db2.gz KWSZWSVOGAWYAK-UWVGGRQHSA-N 1 3 188.315 0.578 10 0 ACAEHO CC(C)C[C@@H](C)[C@@H](C[NH3+])NCCO 300900738 572035456 /nfs/dbraw/zinc/03/54/56/572035456.db2.gz KWSZWSVOGAWYAK-NXEZZACHSA-N 1 3 188.315 0.578 10 0 ACAEHO CC(C)C[C@H](C)[C@@H](C[NH3+])NCCO 300900741 572035483 /nfs/dbraw/zinc/03/54/83/572035483.db2.gz KWSZWSVOGAWYAK-VHSXEESVSA-N 1 3 188.315 0.578 10 0 ACAEHO C[C@H]1COCCN1CCCC[NH3+] 35774137 572035499 /nfs/dbraw/zinc/03/54/99/572035499.db2.gz AHHOYTRDCIYOHN-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@H](O)C1 36128458 572036400 /nfs/dbraw/zinc/03/64/00/572036400.db2.gz WQLZYNCGDTZJNT-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H](CCN)[N@H+]1CCC[C@H](O)C1 36128458 572036405 /nfs/dbraw/zinc/03/64/05/572036405.db2.gz WQLZYNCGDTZJNT-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCC[C@H](O)C1 36128458 572036408 /nfs/dbraw/zinc/03/64/08/572036408.db2.gz WQLZYNCGDTZJNT-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1CN(CCCC[NH3+])[C@H](C)CO1 35782993 572036936 /nfs/dbraw/zinc/03/69/36/572036936.db2.gz JNEOBNZTURYJEO-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1CN(CCCC(N)=[NH2+])[C@H](C)CO1 35786717 572037138 /nfs/dbraw/zinc/03/71/38/572037138.db2.gz HLPDPOSYYHEFTD-RKDXNWHRSA-N 1 3 199.298 0.812 10 0 ACAEHO CC[C@@H]1CN(C[C@@H](C)C[NH3+])CCN1C 82477472 572037416 /nfs/dbraw/zinc/03/74/16/572037416.db2.gz MGLMGLLNBRPFJR-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO CCN1CCN(CCC(N)=[NH2+])C[C@@H]1C 82483827 572037600 /nfs/dbraw/zinc/03/76/00/572037600.db2.gz GEANVJIJZZQMKM-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO CC[C@H]1CN(CC[C@@H](C)[NH3+])CCN1C 82477960 572037684 /nfs/dbraw/zinc/03/76/84/572037684.db2.gz FEBAHYVHVHBAHQ-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1CN(CCCC(N)=[NH2+])[C@H](C)CO1 35786721 572037717 /nfs/dbraw/zinc/03/77/17/572037717.db2.gz HLPDPOSYYHEFTD-BDAKNGLRSA-N 1 3 199.298 0.812 10 0 ACAEHO CC(C)[NH2+]CCN1CCN(C)[C@@H](C)C1 82477850 572037778 /nfs/dbraw/zinc/03/77/78/572037778.db2.gz CXWXXYNOTGBJDP-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]CC[C@H](C)N1CCN(C)[C@H](C)C1 82485032 572037802 /nfs/dbraw/zinc/03/78/02/572037802.db2.gz VWBROOXJNVAIPN-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCN(C)[C@H](CC)C1 82479765 572037835 /nfs/dbraw/zinc/03/78/35/572037835.db2.gz RJXOHNXJFODTGH-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[NH2+]CCCCN1CCN(C)[C@H](C)C1 82485038 572037842 /nfs/dbraw/zinc/03/78/42/572037842.db2.gz FKFJDSVKSRFINJ-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H]1CN([C@@H](C)CC[NH3+])CCN1C 82479747 572037965 /nfs/dbraw/zinc/03/79/65/572037965.db2.gz OJAIVMDEKAPJEK-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H]1C[NH2+]CCN1CCN(C)C 82476535 572038004 /nfs/dbraw/zinc/03/80/04/572038004.db2.gz WHSHPDWKNJXENW-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCN(CC)[C@H](C)C1 82477467 572038014 /nfs/dbraw/zinc/03/80/14/572038014.db2.gz SDEJDIOHPJLPDQ-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN([C@@H](C)CC[NH3+])C[C@@H]1C 82477462 572038049 /nfs/dbraw/zinc/03/80/49/572038049.db2.gz OOCLSCOOSIEIAI-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[NH2+]CCN1CCN(C)C(C)(C)C1 82478013 572038065 /nfs/dbraw/zinc/03/80/65/572038065.db2.gz AUCJKLCABJCKHO-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H]1CN(C[C@H]([NH3+])CC)CCN1C 82477968 572038089 /nfs/dbraw/zinc/03/80/89/572038089.db2.gz RYEACWXIEUADRB-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]1CN(CCC(N)=[NH2+])CCN1C 82483841 572038119 /nfs/dbraw/zinc/03/81/19/572038119.db2.gz ZBPGUPNYAAPMOT-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO C[NH2+]CCCN1CCN(C)[C@@H](C)C1 82477826 572038178 /nfs/dbraw/zinc/03/81/78/572038178.db2.gz LACAWVZBKUJTAS-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CCC[NH2+]CCN1CCN(C)[C@H](C)C1 82477865 572038342 /nfs/dbraw/zinc/03/83/42/572038342.db2.gz BJASZHHFNNGTJG-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@@H]1CN(CCC[NH2+]C)CCN1C 82477975 572038456 /nfs/dbraw/zinc/03/84/56/572038456.db2.gz CYOUVTUSSFNLLL-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCN1CCN([C@@H](C)[C@@H](C)[NH3+])C[C@@H]1C 82480140 572038484 /nfs/dbraw/zinc/03/84/84/572038484.db2.gz PEPZBAKEDZHVHE-AXFHLTTASA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1CN(CCCC(N)=[NH2+])CCN1C 82483810 572038529 /nfs/dbraw/zinc/03/85/29/572038529.db2.gz FUWHXXUOUYLINP-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO CC[C@@H]1CN(CC[NH2+]C)CCN1C 82477953 572039345 /nfs/dbraw/zinc/03/93/45/572039345.db2.gz LPTOBYORTUIINC-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@@H]([NH3+])CCCN1CCN(C)[C@H](C)C1 82477847 572038602 /nfs/dbraw/zinc/03/86/02/572038602.db2.gz OWJTZYGFGOOVLX-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]1CN(C[C@@H](C)C[NH3+])CCN1C 82477473 572038629 /nfs/dbraw/zinc/03/86/29/572038629.db2.gz MGLMGLLNBRPFJR-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO CN1CC[C@@]2(CC[C@@H](C[NH3+])O2)C1 686232815 572038733 /nfs/dbraw/zinc/03/87/33/572038733.db2.gz KYLWALMLSOZDLP-IUCAKERBSA-N 1 3 170.256 0.198 10 0 ACAEHO CC[C@H]1CN(CCC[NH2+]C)CCN1C 82477976 572038740 /nfs/dbraw/zinc/03/87/40/572038740.db2.gz CYOUVTUSSFNLLL-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H](C[NH3+])CCN1CCOCC1 35822592 572038765 /nfs/dbraw/zinc/03/87/65/572038765.db2.gz BLVVOQIYYWCVTC-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO CC[C@H]1CN(CCC[NH3+])CCN1C 82477469 572038821 /nfs/dbraw/zinc/03/88/21/572038821.db2.gz MDAAZZQFYJNRQV-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCN(CC)[C@H](C)C1 82480128 572039002 /nfs/dbraw/zinc/03/90/02/572039002.db2.gz WTIMEMHDUKCVAW-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1CN(CCCCC[NH3+])CCN1C 82477450 572039010 /nfs/dbraw/zinc/03/90/10/572039010.db2.gz HGKNQHXQXGMASH-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@H](C[NH3+])N1CCN(CC)[C@H](C)C1 82477468 572039016 /nfs/dbraw/zinc/03/90/16/572039016.db2.gz SDEJDIOHPJLPDQ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H]1CN(CCC[NH3+])CCN1C 82479768 572039050 /nfs/dbraw/zinc/03/90/50/572039050.db2.gz MDAAZZQFYJNRQV-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CCN1CCN(CCC[NH2+]C)C[C@@H]1C 82480141 572039080 /nfs/dbraw/zinc/03/90/80/572039080.db2.gz ILGFJJKPWXKPOJ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[NH+]1CCC(CNC2COC2)CC1 82488480 572039170 /nfs/dbraw/zinc/03/91/70/572039170.db2.gz NVQUUXYBMCONCM-UHFFFAOYSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCN(C)[C@H](CC)C1 82477967 572039211 /nfs/dbraw/zinc/03/92/11/572039211.db2.gz RYEACWXIEUADRB-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[NH2+]CC[C@H](C)N1CCN(C)[C@@H](C)C1 82485033 572039379 /nfs/dbraw/zinc/03/93/79/572039379.db2.gz VWBROOXJNVAIPN-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H]1CN([C@@H](C)C[NH2+]C)CCN1C 82485145 572039277 /nfs/dbraw/zinc/03/92/77/572039277.db2.gz FXPRHYLEPALVPC-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H]1CN([C@@H](C)[C@@H](C)[NH3+])CCN1C 82477974 572039338 /nfs/dbraw/zinc/03/93/38/572039338.db2.gz PULFGSXCMZZXKQ-VWYCJHECSA-N 1 3 199.342 0.748 10 0 ACAEHO CC[C@H]1CN(C[C@@H](C)[NH2+]C)CCN1C 82477952 572039517 /nfs/dbraw/zinc/03/95/17/572039517.db2.gz CQSYWDAXZWWMDR-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]CCCCN1CCN(C)[C@@H](C)C1 82485039 572039504 /nfs/dbraw/zinc/03/95/04/572039504.db2.gz FKFJDSVKSRFINJ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H](CC[NH3+])N1CCN(C)[C@H](C)C1 82477460 572039625 /nfs/dbraw/zinc/03/96/25/572039625.db2.gz RROJDQPZFWVNPB-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CC[C@]2(CC[C@H](C[NH3+])O2)C1 686232816 572039648 /nfs/dbraw/zinc/03/96/48/572039648.db2.gz KYLWALMLSOZDLP-RKDXNWHRSA-N 1 3 170.256 0.198 10 0 ACAEHO C[C@H]1CN(CC[NH2+]C2CC2)CCN1C 82477852 572040290 /nfs/dbraw/zinc/04/02/90/572040290.db2.gz VDYGOIACXORLKK-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN([C@@H](C)C[NH2+]C)C[C@@H]1C 82485102 572040053 /nfs/dbraw/zinc/04/00/53/572040053.db2.gz NJQNDTFDCOOVMQ-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)N1CCN(CC[C@@H](C)[NH3+])CC1 36171006 572040065 /nfs/dbraw/zinc/04/00/65/572040065.db2.gz FMTQHDVCUNZPIZ-LLVKDONJSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[NH2+]CCN1CCN(C)[C@H](C)C1 82477786 572040225 /nfs/dbraw/zinc/04/02/25/572040225.db2.gz WULYNLQTWISXCS-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO CCN1CCN(CC[C@@H](C)[NH3+])C[C@@H]1C 82477913 572040321 /nfs/dbraw/zinc/04/03/21/572040321.db2.gz GAMDNTYWSOAVNM-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]([NH3+])CN1CCN(CC)[C@H](C)C1 82480126 572040344 /nfs/dbraw/zinc/04/03/44/572040344.db2.gz WTIMEMHDUKCVAW-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN(CC[NH2+]C)C[C@@H]1C 82477910 572040360 /nfs/dbraw/zinc/04/03/60/572040360.db2.gz SYEDETNNCNDGID-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@@H]1CCCN(C[C@H](O)C[NH3+])C1 36169352 572040383 /nfs/dbraw/zinc/04/03/83/572040383.db2.gz QFWRFJWHTUKPHX-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[NH2+]CCN1CCN(CC)[C@H](C)C1 82477902 572040448 /nfs/dbraw/zinc/04/04/48/572040448.db2.gz FEKOIMAFQFEUJK-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H]1CN(CC[NH2+]C)CCN1C 82477954 572040458 /nfs/dbraw/zinc/04/04/58/572040458.db2.gz LPTOBYORTUIINC-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@H]1CN(CCC[C@@H](C)[NH3+])CCN1C 82477848 572040554 /nfs/dbraw/zinc/04/05/54/572040554.db2.gz OWJTZYGFGOOVLX-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1CN(CCCC(N)=[NH2+])CCN1C 82483809 572040570 /nfs/dbraw/zinc/04/05/70/572040570.db2.gz FUWHXXUOUYLINP-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@H]1CN(CCCC[NH3+])CCN1C 82477456 572040592 /nfs/dbraw/zinc/04/05/92/572040592.db2.gz KYNBDBWTTVLIDN-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CCN1CCN(CCCC[NH3+])C[C@@H]1C 82479734 572041119 /nfs/dbraw/zinc/04/11/19/572041119.db2.gz MKQGLLQTIIHDMS-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@@H]1CN(CC[C@@H](C)[NH3+])CCN1C 82477959 572040707 /nfs/dbraw/zinc/04/07/07/572040707.db2.gz FEBAHYVHVHBAHQ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN(C[C@@H](C)C[NH3+])C[C@@H]1C 82479737 572040736 /nfs/dbraw/zinc/04/07/36/572040736.db2.gz IHEIZLZUVQYNJP-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]1CN(CCCC[NH3+])CCN1C 82477455 572040779 /nfs/dbraw/zinc/04/07/79/572040779.db2.gz KYNBDBWTTVLIDN-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CC[C@@H]1CN([C@@H](C)CC[NH3+])CCN1C 82479745 572040790 /nfs/dbraw/zinc/04/07/90/572040790.db2.gz OJAIVMDEKAPJEK-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN(CCC[NH3+])C[C@@H]1C 82479732 572040796 /nfs/dbraw/zinc/04/07/96/572040796.db2.gz RCGXIUZQDLDRAS-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CC[NH2+]CCN1CCN(C)[C@H](CC)C1 82477945 572040820 /nfs/dbraw/zinc/04/08/20/572040820.db2.gz YMVHTGVROLPWAT-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H]1CN([C@@H](CC)C[NH3+])CCN1C 82479766 572040832 /nfs/dbraw/zinc/04/08/32/572040832.db2.gz RJXOHNXJFODTGH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[NH2+]C[C@@H](C)N1CCN(C)[C@H](C)C1 82485048 572040848 /nfs/dbraw/zinc/04/08/48/572040848.db2.gz NIMSMURDZVCOEH-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]1CN(CCC(N)=[NH2+])CCN1C 82483840 572041131 /nfs/dbraw/zinc/04/11/31/572041131.db2.gz ZBPGUPNYAAPMOT-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO C[NH2+][C@H](C)CCN1CCN(C)[C@@H](C)C1 82477800 572040980 /nfs/dbraw/zinc/04/09/80/572040980.db2.gz TWQGDQIPALBARW-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]1CN([C@@H](C)C[NH2+]C)CCN1C 82485144 572041085 /nfs/dbraw/zinc/04/10/85/572041085.db2.gz FXPRHYLEPALVPC-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H]1CN(CC[NH2+]C2CC2)CCN1C 82477851 572041023 /nfs/dbraw/zinc/04/10/23/572041023.db2.gz VDYGOIACXORLKK-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO CC[NH2+]CCN1CCN(C)[C@@H](CC)C1 82477946 572041065 /nfs/dbraw/zinc/04/10/65/572041065.db2.gz YMVHTGVROLPWAT-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+][C@H](C)CCN1CCN(C)[C@H](C)C1 82477799 572041092 /nfs/dbraw/zinc/04/10/92/572041092.db2.gz TWQGDQIPALBARW-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCN(C(C)C)CC1 36170825 572041350 /nfs/dbraw/zinc/04/13/50/572041350.db2.gz KIHJYWWBSPFUSP-NSHDSACASA-N 1 3 199.342 0.750 10 0 ACAEHO CC(C)N1CCN(CC[C@H](C)[NH3+])CC1 36171007 572041672 /nfs/dbraw/zinc/04/16/72/572041672.db2.gz FMTQHDVCUNZPIZ-NSHDSACASA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]1CCCN(C[C@H](O)C[NH3+])C1 36169353 572042135 /nfs/dbraw/zinc/04/21/35/572042135.db2.gz QFWRFJWHTUKPHX-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@]12COC[C@@H]1C2 689262530 572042384 /nfs/dbraw/zinc/04/23/84/572042384.db2.gz PPJONOXGCJFLNX-UTLUCORTSA-N 1 3 184.283 0.207 10 0 ACAEHO C[C@H]1OCC[C@@]1(C)NC[C@@H]1CC[NH2+]C1 235602409 572042730 /nfs/dbraw/zinc/04/27/30/572042730.db2.gz OURWPOBGUVCXIM-GMTAPVOTSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]1C[C@@H]1CNC1(C[NH3+])CC1 235593435 572042761 /nfs/dbraw/zinc/04/27/61/572042761.db2.gz UYFXIFMSUVLWLK-JGVFFNPUSA-N 1 3 154.257 0.723 10 0 ACAEHO NC1CC([NH+]2C[C@@H]3CSC[C@H]3C2)C1 711591805 572043983 /nfs/dbraw/zinc/04/39/83/572043983.db2.gz GLHNDXYRUMIHDS-LGUIWLBCSA-N 1 3 198.335 0.771 10 0 ACAEHO NC1CC([NH+]2C[C@H]3CSC[C@@H]3C2)C1 711591797 572044061 /nfs/dbraw/zinc/04/40/61/572044061.db2.gz GLHNDXYRUMIHDS-DKEVHCRPSA-N 1 3 198.335 0.771 10 0 ACAEHO CC(C)N1CCN(CCC(N)=[NH2+])CC1 36189969 572044610 /nfs/dbraw/zinc/04/46/10/572044610.db2.gz TUDJIWMMTJFVRG-UHFFFAOYSA-N 1 3 198.314 0.338 10 0 ACAEHO CC1(C)CN(CCCC[NH3+])CCO1 36231952 572045424 /nfs/dbraw/zinc/04/54/24/572045424.db2.gz YDNIYAWZWKLYAH-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@H](CN1CCC[C@H](CO)C1)C(N)=[NH2+] 36227306 572045587 /nfs/dbraw/zinc/04/55/87/572045587.db2.gz XORZZTYBWNJORJ-BDAKNGLRSA-N 1 3 199.298 0.263 10 0 ACAEHO C[C@H]1OCC[C@@]1(C)[NH2+]CC1(CN)CC1 235595534 572046128 /nfs/dbraw/zinc/04/61/28/572046128.db2.gz MMKCTNVKSSDZFH-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[NH2+]C[C@H](C)N(C)CCN(C)C 82543718 572046455 /nfs/dbraw/zinc/04/64/55/572046455.db2.gz UCQGRMBJBYQARA-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO C[C@@H](CN1CCC[C@H](CO)C1)C(N)=[NH2+] 36227305 572046612 /nfs/dbraw/zinc/04/66/12/572046612.db2.gz XORZZTYBWNJORJ-IUCAKERBSA-N 1 3 199.298 0.263 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1CCCO1 82560562 572046633 /nfs/dbraw/zinc/04/66/33/572046633.db2.gz ALHTZEACCQVVQN-VWYCJHECSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H]1CCCO1 82560560 572046793 /nfs/dbraw/zinc/04/67/93/572046793.db2.gz ALHTZEACCQVVQN-MXWKQRLJSA-N 1 3 198.310 0.611 10 0 ACAEHO C[NH2+]CC[C@H](C)N(C)CCN(C)C 82543722 572046899 /nfs/dbraw/zinc/04/68/99/572046899.db2.gz KTAPMWRXACNDAD-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO NC(=[NH2+])CCN1CC[C@@]2(CCOC2)C1 687886899 572046931 /nfs/dbraw/zinc/04/69/31/572046931.db2.gz GZFPUIOTGLZQNX-SNVBAGLBSA-N 1 3 197.282 0.425 10 0 ACAEHO C[NH2+]C[C@H](C)CN(C)CCN(C)C 82543781 572047014 /nfs/dbraw/zinc/04/70/14/572047014.db2.gz YKSOIJZGWWRKAT-JTQLQIEISA-N 1 3 187.331 0.335 10 0 ACAEHO NC(=[NH2+])CCN1CC[C@]2(CCOC2)C1 687886893 572047285 /nfs/dbraw/zinc/04/72/85/572047285.db2.gz GZFPUIOTGLZQNX-JTQLQIEISA-N 1 3 197.282 0.425 10 0 ACAEHO C[NH2+]C[C@H](C)N(C)CCN(C)C 82543743 572047467 /nfs/dbraw/zinc/04/74/67/572047467.db2.gz VFJNLIOEECBSLZ-VIFPVBQESA-N 1 3 173.304 0.088 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@H](CO)C1 36227298 572047575 /nfs/dbraw/zinc/04/75/75/572047575.db2.gz MSJXOWZKTRNCTN-QMMMGPOBSA-N 1 3 185.271 0.017 10 0 ACAEHO NC1=N[C@@H](CCCC[NH3+])CS1 34016872 572047994 /nfs/dbraw/zinc/04/79/94/572047994.db2.gz BFLHUCDKEKVQHV-LURJTMIESA-N 1 3 173.285 0.546 10 0 ACAEHO C[C@H](C[NH2+]C1CC1)N(C)CCN(C)C 82543712 572048108 /nfs/dbraw/zinc/04/81/08/572048108.db2.gz OVYOYEHOQOBFKE-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+]C[C@@H](C)N(C)CCN(C)C 82543717 572048120 /nfs/dbraw/zinc/04/81/20/572048120.db2.gz UCQGRMBJBYQARA-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO NC1=N[C@H](CCCC[NH3+])CS1 34016873 572048154 /nfs/dbraw/zinc/04/81/54/572048154.db2.gz BFLHUCDKEKVQHV-ZCFIWIBFSA-N 1 3 173.285 0.546 10 0 ACAEHO CC[C@H](C[NH2+]C)N(C)CCN(C)C 82543821 572048180 /nfs/dbraw/zinc/04/81/80/572048180.db2.gz PSWZPKZEZAKQML-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO CC[C@@H](C[NH2+]C)N(C)CCN(C)C 82543820 572048354 /nfs/dbraw/zinc/04/83/54/572048354.db2.gz PSWZPKZEZAKQML-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1CNC[C@@H]1CCCO1 82560563 572048600 /nfs/dbraw/zinc/04/86/00/572048600.db2.gz ALHTZEACCQVVQN-DCAQKATOSA-N 1 3 198.310 0.611 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCCC[NH2+]C1 82543934 572048688 /nfs/dbraw/zinc/04/86/88/572048688.db2.gz FIJGUNPVHHAFIT-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+]CC[C@@H](C)N(C)CCN(C)C 82543725 572048700 /nfs/dbraw/zinc/04/87/00/572048700.db2.gz KTAPMWRXACNDAD-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO CN(CCC(N)=[NH2+])C[C@@H]1CCCOC1 82544790 572048752 /nfs/dbraw/zinc/04/87/52/572048752.db2.gz DUROXQQYLQLPSF-VIFPVBQESA-N 1 3 199.298 0.671 10 0 ACAEHO CC(=[NH2+])N(C)CCCN(C)C 82544132 572048890 /nfs/dbraw/zinc/04/88/90/572048890.db2.gz XCAIYEVZTLEDGR-UHFFFAOYSA-N 1 3 157.261 0.867 10 0 ACAEHO CN(C)CC[C@H]([NH3+])C[C@H]1CCCO1 687704297 572048903 /nfs/dbraw/zinc/04/89/03/572048903.db2.gz GIZCALNLQULTLB-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CCCC[NH2+]C1 82543933 572048925 /nfs/dbraw/zinc/04/89/25/572048925.db2.gz FIJGUNPVHHAFIT-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])C[C@@H]1CCCO1 687704313 572049050 /nfs/dbraw/zinc/04/90/50/572049050.db2.gz GIZCALNLQULTLB-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+]C[C@@H](C)N(C)CCN(C)C 82543744 572049091 /nfs/dbraw/zinc/04/90/91/572049091.db2.gz VFJNLIOEECBSLZ-SECBINFHSA-N 1 3 173.304 0.088 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(C)CCN(C)C 82543782 572049124 /nfs/dbraw/zinc/04/91/24/572049124.db2.gz YKSOIJZGWWRKAT-SNVBAGLBSA-N 1 3 187.331 0.335 10 0 ACAEHO CCN1CCN(CCC[NH2+]C)[C@@H](C)C1 250212797 572049965 /nfs/dbraw/zinc/04/99/65/572049965.db2.gz CTZPUVLUIMTRTF-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H]1C[C@H]1NC[C@@H]1C[NH2+]C[C@@H]1C 82560843 572049436 /nfs/dbraw/zinc/04/94/36/572049436.db2.gz JZCHHXXLVAHWIA-AATLWQCWSA-N 1 3 168.284 0.840 10 0 ACAEHO COCCNC[C@H]1C[NH2+]C[C@H]1C 82560852 572049439 /nfs/dbraw/zinc/04/94/39/572049439.db2.gz OZRIVEUUBNDTAJ-BDAKNGLRSA-N 1 3 172.272 0.078 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCN(C)C 82560957 572049495 /nfs/dbraw/zinc/04/94/95/572049495.db2.gz VXVPAZPTQJQOOD-MNOVXSKESA-N 1 3 199.342 0.335 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H]1C 82560842 572049708 /nfs/dbraw/zinc/04/97/08/572049708.db2.gz JZCHHXXLVAHWIA-XFWSIPNHSA-N 1 3 168.284 0.840 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])C[C@H]1CCCO1 687704288 572050068 /nfs/dbraw/zinc/05/00/68/572050068.db2.gz GIZCALNLQULTLB-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1CN(C)CCN(C)C 82560958 572050156 /nfs/dbraw/zinc/05/01/56/572050156.db2.gz VXVPAZPTQJQOOD-QWRGUYRKSA-N 1 3 199.342 0.335 10 0 ACAEHO CN(C)CC[C@H]([NH3+])C[C@@H]1CCCO1 687704290 572050247 /nfs/dbraw/zinc/05/02/47/572050247.db2.gz GIZCALNLQULTLB-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCCNC[C@H]1C[NH2+]C[C@@H]1C 82560853 572050260 /nfs/dbraw/zinc/05/02/60/572050260.db2.gz OZRIVEUUBNDTAJ-IUCAKERBSA-N 1 3 172.272 0.078 10 0 ACAEHO [NH3+]C1[C@H]2CC3CCN(C2)C[C@H]1C3 34060646 572050410 /nfs/dbraw/zinc/05/04/10/572050410.db2.gz TUWPZSGRLTYOPP-XWJSGITJSA-N 1 3 166.268 0.675 10 0 ACAEHO COCCNC[C@@H]1C[NH2+]C[C@H]1C 82560854 572050736 /nfs/dbraw/zinc/05/07/36/572050736.db2.gz OZRIVEUUBNDTAJ-RKDXNWHRSA-N 1 3 172.272 0.078 10 0 ACAEHO CCCNC[C@H]1CC[NH2+]C1 34070478 572050746 /nfs/dbraw/zinc/05/07/46/572050746.db2.gz KYOLWTXOYMKDRP-MRVPVSSYSA-N 1 3 142.246 0.596 10 0 ACAEHO COCCNC[C@@H]1C[NH2+]C[C@@H]1C 82560855 572050762 /nfs/dbraw/zinc/05/07/62/572050762.db2.gz OZRIVEUUBNDTAJ-DTWKUNHWSA-N 1 3 172.272 0.078 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CN(C)CCN(C)C 82560955 572051057 /nfs/dbraw/zinc/05/10/57/572051057.db2.gz VXVPAZPTQJQOOD-GHMZBOCLSA-N 1 3 199.342 0.335 10 0 ACAEHO C[C@H]1C[C@H]1CNC1(C[NH3+])CC1 235608476 572051154 /nfs/dbraw/zinc/05/11/54/572051154.db2.gz UYFXIFMSUVLWLK-YUMQZZPRSA-N 1 3 154.257 0.723 10 0 ACAEHO CN(C)CCN(C)c1cc(N)cc[nH+]1 82539791 572051488 /nfs/dbraw/zinc/05/14/88/572051488.db2.gz GUJRWBCDWXJSOU-UHFFFAOYSA-N 1 3 194.282 0.662 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)CCN(C)C 82539845 572051607 /nfs/dbraw/zinc/05/16/07/572051607.db2.gz UCIVOOIEJJKZCD-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@@H]1N(C)CCN(C)C 82540669 572051613 /nfs/dbraw/zinc/05/16/13/572051613.db2.gz SZJATFGXSVFUQK-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@H]1CCC[C@H]1N(C)CCN(C)C 82540680 572051619 /nfs/dbraw/zinc/05/16/19/572051619.db2.gz SZJATFGXSVFUQK-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[C@@H](C[NH3+])N(C)CCN(C)C 82540216 572051623 /nfs/dbraw/zinc/05/16/23/572051623.db2.gz HWIAAKAHWXAGIQ-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO C[C@H]1CC[C@H](N(C)CCN(C)C)C[NH2+]1 82542123 572051679 /nfs/dbraw/zinc/05/16/79/572051679.db2.gz QMIBTCDGTZDJCX-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+][C@@H](C)CN(C)CCN(C)C 82540947 572051721 /nfs/dbraw/zinc/05/17/21/572051721.db2.gz HABHXCNLHUSVAN-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO CC[C@H]([NH3+])[C@H](C)N(C)CCN(C)C 82540960 572051728 /nfs/dbraw/zinc/05/17/28/572051728.db2.gz ZLNRDVKWTSCCBG-UWVGGRQHSA-N 1 3 187.331 0.606 10 0 ACAEHO C[NH2+][C@@H](C)[C@@H](C)N(C)CCN(C)C 82540828 572052327 /nfs/dbraw/zinc/05/23/27/572052327.db2.gz UBPAMBGCCXFVQT-VHSXEESVSA-N 1 3 187.331 0.476 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCC[C@@H]1C[NH3+] 82539839 572051837 /nfs/dbraw/zinc/05/18/37/572051837.db2.gz YNTXEUXDIPJDNB-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[NH2+][C@@H](C)CCN(C)CCN(C)C 82540697 572051841 /nfs/dbraw/zinc/05/18/41/572051841.db2.gz WDDWZGXXPJYBRI-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO CC[C@H](C(N)=[NH2+])N(C)CCN(C)C 82542061 572051898 /nfs/dbraw/zinc/05/18/98/572051898.db2.gz KPQXAQPCGLVXNY-MRVPVSSYSA-N 1 3 186.303 0.194 10 0 ACAEHO COC[C@@H](C)[C@H](N)C[NH+]1CCCC1 687705221 572051914 /nfs/dbraw/zinc/05/19/14/572051914.db2.gz VWXDSCGDRFTEFR-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CN(C)CCN(C)CCC[NH2+]C1CC1 82540820 572051961 /nfs/dbraw/zinc/05/19/61/572051961.db2.gz DGQAZAOOURXFRE-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CCC[C@@H]1C[NH3+] 82539837 572051965 /nfs/dbraw/zinc/05/19/65/572051965.db2.gz YNTXEUXDIPJDNB-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]1CC[C@@H](N(C)CCN(C)C)C[NH2+]1 82542126 572051976 /nfs/dbraw/zinc/05/19/76/572051976.db2.gz QMIBTCDGTZDJCX-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1CC[C@@H](N(C)CCN(C)C)C[NH2+]1 82542128 572051990 /nfs/dbraw/zinc/05/19/90/572051990.db2.gz QMIBTCDGTZDJCX-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO N[C@@H](C[C@@H]1CCCO1)C[NH+]1CCCC1 687705055 572051997 /nfs/dbraw/zinc/05/19/97/572051997.db2.gz RUWUNFDMLXQWSF-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H](C[C@H]1CCCO1)C[NH+]1CCCC1 687705056 572052074 /nfs/dbraw/zinc/05/20/74/572052074.db2.gz RUWUNFDMLXQWSF-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N(C)CCN(C)C 82540757 572052103 /nfs/dbraw/zinc/05/21/03/572052103.db2.gz ZLXCYFFVRFQOAP-DTWKUNHWSA-N 1 3 173.304 0.216 10 0 ACAEHO CC[C@@H](CC[NH3+])N(C)CCN(C)C 82539843 572052142 /nfs/dbraw/zinc/05/21/42/572052142.db2.gz UCIVOOIEJJKZCD-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO C[C@@H]1CC[C@H](N(C)CCN(C)C)C[NH2+]1 82542121 572052156 /nfs/dbraw/zinc/05/21/56/572052156.db2.gz QMIBTCDGTZDJCX-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO N[C@H](C[C@@H]1CCCO1)C[NH+]1CCCC1 687705054 572052187 /nfs/dbraw/zinc/05/21/87/572052187.db2.gz RUWUNFDMLXQWSF-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CCC[C@H](C[NH3+])N(C)CCN(C)C 82540218 572052207 /nfs/dbraw/zinc/05/22/07/572052207.db2.gz HWIAAKAHWXAGIQ-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO CN(C)CCN(C)C[C@@H]1CCC[NH2+]1 82541702 572052252 /nfs/dbraw/zinc/05/22/52/572052252.db2.gz XIDWBVVUNCEXFY-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@H](C)CN(C)CCN(C)C 82540724 572052283 /nfs/dbraw/zinc/05/22/83/572052283.db2.gz DOWFQHQLDJGEAV-SECBINFHSA-N 1 3 173.304 0.088 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)N(C)CCN(C)C 82540759 572052443 /nfs/dbraw/zinc/05/24/43/572052443.db2.gz ZLXCYFFVRFQOAP-RKDXNWHRSA-N 1 3 173.304 0.216 10 0 ACAEHO CC(C)[C@H](C[NH3+])N(C)CCN(C)C 82540230 572052395 /nfs/dbraw/zinc/05/23/95/572052395.db2.gz FZSZTWIFXRXRMB-JTQLQIEISA-N 1 3 187.331 0.463 10 0 ACAEHO CN(C)CCN(C)C[C@H]1CC[NH2+]C1 82541729 572052591 /nfs/dbraw/zinc/05/25/91/572052591.db2.gz SRRDDKNBAGOVJD-JTQLQIEISA-N 1 3 185.315 0.089 10 0 ACAEHO N[C@H](C[C@H]1CCCO1)C[NH+]1CCCC1 687705053 572052522 /nfs/dbraw/zinc/05/25/22/572052522.db2.gz RUWUNFDMLXQWSF-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CN(C)CCN(C)[C@H](C[NH3+])C1CC1 82540071 572052561 /nfs/dbraw/zinc/05/25/61/572052561.db2.gz ZPHZDNQSXOFYSI-SNVBAGLBSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1OCC[C@@H]1C[NH2+]CC1(CN)CC1 235610463 572052585 /nfs/dbraw/zinc/05/25/85/572052585.db2.gz ZIEVWLQQUFYLEW-NXEZZACHSA-N 1 3 198.310 0.740 10 0 ACAEHO CC[C@@H]([NH3+])[C@H](C)N(C)CCN(C)C 82540962 572052647 /nfs/dbraw/zinc/05/26/47/572052647.db2.gz ZLNRDVKWTSCCBG-VHSXEESVSA-N 1 3 187.331 0.606 10 0 ACAEHO COC[C@H](C)[C@H](N)C[NH+]1CCCC1 687705224 572052654 /nfs/dbraw/zinc/05/26/54/572052654.db2.gz VWXDSCGDRFTEFR-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@@H](CN(C)CCN(C)C)[NH2+]C 82541010 572052671 /nfs/dbraw/zinc/05/26/71/572052671.db2.gz NATVJKXKALFASZ-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO C[NH2+][C@H](C)[C@H](C)N(C)CCN(C)C 82540837 572052677 /nfs/dbraw/zinc/05/26/77/572052677.db2.gz UBPAMBGCCXFVQT-ZJUUUORDSA-N 1 3 187.331 0.476 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CCC[C@@H]1[NH3+] 82540637 572052690 /nfs/dbraw/zinc/05/26/90/572052690.db2.gz XZWLAPWUFUDSDU-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H](C)N(C)CCN(C)C 82540956 572052695 /nfs/dbraw/zinc/05/26/95/572052695.db2.gz ZLNRDVKWTSCCBG-NXEZZACHSA-N 1 3 187.331 0.606 10 0 ACAEHO C[NH2+][C@H](C)CCN(C)CCN(C)C 82540701 572052700 /nfs/dbraw/zinc/05/27/00/572052700.db2.gz WDDWZGXXPJYBRI-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO COC[C@@H](C)[C@H](N)C(C)(C)[NH+](C)C 687704970 572052794 /nfs/dbraw/zinc/05/27/94/572052794.db2.gz CVBOHKYBQOQTAS-BDAKNGLRSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[C@@H](N)C(C)(C)[NH+](C)C 687704971 572052843 /nfs/dbraw/zinc/05/28/43/572052843.db2.gz CVBOHKYBQOQTAS-DTWKUNHWSA-N 1 3 188.315 0.936 10 0 ACAEHO CC[C@H](C[NH3+])N(C)CCN(C)C 82539829 572052937 /nfs/dbraw/zinc/05/29/37/572052937.db2.gz RAXQVKHZQQFMIO-SECBINFHSA-N 1 3 173.304 0.217 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCCC[C@@H]1[NH3+] 82540736 572052962 /nfs/dbraw/zinc/05/29/62/572052962.db2.gz XFWMILOVOPYRHB-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO COC[C@H](C)[C@@H](N)C[NH+]1CCCC1 687705222 572052969 /nfs/dbraw/zinc/05/29/69/572052969.db2.gz VWXDSCGDRFTEFR-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCN1CC[C@H](C)N(C)C[C@H]1C[NH3+] 250215356 572053023 /nfs/dbraw/zinc/05/30/23/572053023.db2.gz DCJBOTLGEQTORZ-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CN(C)CCN(C)[C@@](C)(C[NH3+])C1CC1 82540130 572053090 /nfs/dbraw/zinc/05/30/90/572053090.db2.gz GYLJNYQNAFYJMP-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CN(C)CCN(C)C[C@H]1CCC[NH2+]1 82541704 572053222 /nfs/dbraw/zinc/05/32/22/572053222.db2.gz XIDWBVVUNCEXFY-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@H](C)[C@@H](C)N(C)CCN(C)C 82540830 572053239 /nfs/dbraw/zinc/05/32/39/572053239.db2.gz UBPAMBGCCXFVQT-NXEZZACHSA-N 1 3 187.331 0.476 10 0 ACAEHO CC[C@H]([NH3+])[C@@H](C)N(C)CCN(C)C 82540953 572053278 /nfs/dbraw/zinc/05/32/78/572053278.db2.gz ZLNRDVKWTSCCBG-ZJUUUORDSA-N 1 3 187.331 0.606 10 0 ACAEHO C[NH2+][C@@H](C)CN(C)CCN(C)C 82540722 572053304 /nfs/dbraw/zinc/05/33/04/572053304.db2.gz DOWFQHQLDJGEAV-VIFPVBQESA-N 1 3 173.304 0.088 10 0 ACAEHO COC[C@@H](C)[C@@H](N)C[NH+]1CCCC1 687705226 572053434 /nfs/dbraw/zinc/05/34/34/572053434.db2.gz VWXDSCGDRFTEFR-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[NH2+][C@H](C)CN(C)CCN(C)C 82540950 572053538 /nfs/dbraw/zinc/05/35/38/572053538.db2.gz HABHXCNLHUSVAN-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO COC[C@@H](C)[C@@H](N)C(C)(C)[NH+](C)C 687704975 572053583 /nfs/dbraw/zinc/05/35/83/572053583.db2.gz CVBOHKYBQOQTAS-RKDXNWHRSA-N 1 3 188.315 0.936 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCC[C@@H]1[NH3+] 82540639 572053594 /nfs/dbraw/zinc/05/35/94/572053594.db2.gz XZWLAPWUFUDSDU-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCC[C@@H]([NH3+])CN(C)CCN(C)C 82540968 572053614 /nfs/dbraw/zinc/05/36/14/572053614.db2.gz GUYAXCLCXPMMIE-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO COC[C@H](C)[C@H](N)C(C)(C)[NH+](C)C 687704973 572053631 /nfs/dbraw/zinc/05/36/31/572053631.db2.gz CVBOHKYBQOQTAS-IUCAKERBSA-N 1 3 188.315 0.936 10 0 ACAEHO CN(C)CCN(C)[C@](C)(C[NH3+])C1CC1 82540128 572053731 /nfs/dbraw/zinc/05/37/31/572053731.db2.gz GYLJNYQNAFYJMP-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CCN1CC[C@@H](C)N(C)C[C@H]1C[NH3+] 250215351 572053750 /nfs/dbraw/zinc/05/37/50/572053750.db2.gz DCJBOTLGEQTORZ-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@@H](C)n1cccn1 235086348 572054320 /nfs/dbraw/zinc/05/43/20/572054320.db2.gz ADIUDNXHVPYTBJ-VHSXEESVSA-N 1 3 196.298 0.771 10 0 ACAEHO CN(C)CCN(C)C[C@@H]1CC[NH2+]C1 82541727 572053817 /nfs/dbraw/zinc/05/38/17/572053817.db2.gz SRRDDKNBAGOVJD-SNVBAGLBSA-N 1 3 185.315 0.089 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)CCN(C)C 82540755 572053822 /nfs/dbraw/zinc/05/38/22/572053822.db2.gz NKVBMMSBEQCPJJ-SECBINFHSA-N 1 3 173.304 0.217 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@H]1N(C)CCN(C)C 82540677 572053841 /nfs/dbraw/zinc/05/38/41/572053841.db2.gz SZJATFGXSVFUQK-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H](CN(C)C1CCOCC1)C(N)=[NH2+] 36321357 572053849 /nfs/dbraw/zinc/05/38/49/572053849.db2.gz QEBHOKLCDQYJGP-QMMMGPOBSA-N 1 3 199.298 0.669 10 0 ACAEHO CCC[N@H+](CC)[C@@H]1COCC[C@@H]1N 36305387 572053873 /nfs/dbraw/zinc/05/38/73/572053873.db2.gz SGZIIWSQLLQPNX-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CCC[N@@H+](CC)[C@@H]1COCC[C@@H]1N 36305387 572053875 /nfs/dbraw/zinc/05/38/75/572053875.db2.gz SGZIIWSQLLQPNX-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+][C@H]1CCC[C@@H]1N(C)CCN(C)C 82540673 572053898 /nfs/dbraw/zinc/05/38/98/572053898.db2.gz SZJATFGXSVFUQK-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CN(C)CCN(C)C[C@H]1CCCC[NH2+]1 82541679 572053907 /nfs/dbraw/zinc/05/39/07/572053907.db2.gz CCLHRFLHEOCMCD-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN(C)[C@@H](C[NH3+])C1CC1 82540068 572053925 /nfs/dbraw/zinc/05/39/25/572053925.db2.gz ZPHZDNQSXOFYSI-JTQLQIEISA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H](CN(C)C1CCOCC1)C(N)=[NH2+] 36321359 572053939 /nfs/dbraw/zinc/05/39/39/572053939.db2.gz QEBHOKLCDQYJGP-MRVPVSSYSA-N 1 3 199.298 0.669 10 0 ACAEHO C[NH2+][C@@H](C)[C@H](C)N(C)CCN(C)C 82540834 572053986 /nfs/dbraw/zinc/05/39/86/572053986.db2.gz UBPAMBGCCXFVQT-UWVGGRQHSA-N 1 3 187.331 0.476 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@H](C)n1cccn1 235086561 572054074 /nfs/dbraw/zinc/05/40/74/572054074.db2.gz ADIUDNXHVPYTBJ-UWVGGRQHSA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@@H](CC[NH3+])NC[C@H](C)n1cccn1 235086561 572054077 /nfs/dbraw/zinc/05/40/77/572054077.db2.gz ADIUDNXHVPYTBJ-UWVGGRQHSA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@@H]([C@@H](C)[NH3+])N(C)CCN(C)C 82540763 572054129 /nfs/dbraw/zinc/05/41/29/572054129.db2.gz ZLXCYFFVRFQOAP-BDAKNGLRSA-N 1 3 173.304 0.216 10 0 ACAEHO CC(C)[C@@H](C[NH3+])N(C)CCN(C)C 82540228 572054149 /nfs/dbraw/zinc/05/41/49/572054149.db2.gz FZSZTWIFXRXRMB-SNVBAGLBSA-N 1 3 187.331 0.463 10 0 ACAEHO CC[NH2+]CCCN(C)CCN(C)C 82541016 572054189 /nfs/dbraw/zinc/05/41/89/572054189.db2.gz XHMPLQSGDANPFN-UHFFFAOYSA-N 1 3 187.331 0.479 10 0 ACAEHO CC[C@@H](C(N)=[NH2+])N(C)CCN(C)C 82542059 572054207 /nfs/dbraw/zinc/05/42/07/572054207.db2.gz KPQXAQPCGLVXNY-QMMMGPOBSA-N 1 3 186.303 0.194 10 0 ACAEHO C[C@H]([NH3+])CCN(C)CCN(C)C 82540754 572054234 /nfs/dbraw/zinc/05/42/34/572054234.db2.gz NKVBMMSBEQCPJJ-VIFPVBQESA-N 1 3 173.304 0.217 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CCCC[C@@H]1[NH3+] 82540734 572054241 /nfs/dbraw/zinc/05/42/41/572054241.db2.gz XFWMILOVOPYRHB-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N(C)CCN(C)C 82540761 572054264 /nfs/dbraw/zinc/05/42/64/572054264.db2.gz ZLXCYFFVRFQOAP-IUCAKERBSA-N 1 3 173.304 0.216 10 0 ACAEHO CC[C@@H](C[NH3+])N(C)CCN(C)C 82539827 572054291 /nfs/dbraw/zinc/05/42/91/572054291.db2.gz RAXQVKHZQQFMIO-VIFPVBQESA-N 1 3 173.304 0.217 10 0 ACAEHO CC[C@H](CN(C)CCN(C)C)[NH2+]C 82541014 572054297 /nfs/dbraw/zinc/05/42/97/572054297.db2.gz NATVJKXKALFASZ-SNVBAGLBSA-N 1 3 187.331 0.478 10 0 ACAEHO CN(C)CCN(C)C[C@H]1CCC[NH2+]C1 82541692 572054299 /nfs/dbraw/zinc/05/42/99/572054299.db2.gz NKCUVKDFXJUMPM-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@H](C)n1cncn1 235086600 572054495 /nfs/dbraw/zinc/05/44/95/572054495.db2.gz PLAKWXPVPPBUQP-IUCAKERBSA-N 1 3 197.286 0.166 10 0 ACAEHO C[C@@H](CCCO)NC1(C[NH3+])CC1 235089679 572054452 /nfs/dbraw/zinc/05/44/52/572054452.db2.gz WEZMGWFPFRUMME-QMMMGPOBSA-N 1 3 172.272 0.228 10 0 ACAEHO CC[C@@H]1COCCN1CCCC[NH3+] 36322981 572054462 /nfs/dbraw/zinc/05/44/62/572054462.db2.gz CJPPGQDDDHAYQA-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@@H](CC[NH3+])NC[C@H](C)n1cncn1 235086600 572054493 /nfs/dbraw/zinc/05/44/93/572054493.db2.gz PLAKWXPVPPBUQP-IUCAKERBSA-N 1 3 197.286 0.166 10 0 ACAEHO CCC[N@H+](CC)[C@H]1COCC[C@@H]1N 36305389 572054630 /nfs/dbraw/zinc/05/46/30/572054630.db2.gz SGZIIWSQLLQPNX-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCC[N@@H+](CC)[C@H]1COCC[C@@H]1N 36305389 572054634 /nfs/dbraw/zinc/05/46/34/572054634.db2.gz SGZIIWSQLLQPNX-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H]1COCCN1CCCC[NH3+] 36322984 572054898 /nfs/dbraw/zinc/05/48/98/572054898.db2.gz CJPPGQDDDHAYQA-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@@H]([C@@H](C)O)N(C)CCC[NH+](C)C 82543215 572054939 /nfs/dbraw/zinc/05/49/39/572054939.db2.gz FIRCFNNGGHKRNN-VHSXEESVSA-N 1 3 188.315 0.639 10 0 ACAEHO C[NH2+]C(C)(C)CN(C)CCN(C)C 82542718 572055017 /nfs/dbraw/zinc/05/50/17/572055017.db2.gz HWDGNPGIABHSMB-UHFFFAOYSA-N 1 3 187.331 0.478 10 0 ACAEHO [NH3+]CCOCCNc1ccncc1 82592196 572055502 /nfs/dbraw/zinc/05/55/02/572055502.db2.gz RFHQDIYPCSKPMI-UHFFFAOYSA-N 1 3 181.239 0.469 10 0 ACAEHO CCN(CC[NH3+])c1ccncc1 82591977 572055802 /nfs/dbraw/zinc/05/58/02/572055802.db2.gz GIPSEDYQJIJCSS-UHFFFAOYSA-N 1 3 165.240 0.867 10 0 ACAEHO [NH3+]CC[C@H]1CCCCN1CCCO 82594555 572055910 /nfs/dbraw/zinc/05/59/10/572055910.db2.gz ZYMKGAPBRKPILC-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO CCn1ccnc1NCCOCC[NH3+] 82592168 572055867 /nfs/dbraw/zinc/05/58/67/572055867.db2.gz ZFLPIMGZYRUAOD-UHFFFAOYSA-N 1 3 198.270 0.290 10 0 ACAEHO NCC[C@H]1CCCC[N@@H+]1CCCO 82594555 572055903 /nfs/dbraw/zinc/05/59/03/572055903.db2.gz ZYMKGAPBRKPILC-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO NCC[C@H]1CCCC[N@H+]1CCCO 82594555 572055905 /nfs/dbraw/zinc/05/59/05/572055905.db2.gz ZYMKGAPBRKPILC-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO CN(C)CCN(C)CC1([NH3+])CCCC1 82542669 572055967 /nfs/dbraw/zinc/05/59/67/572055967.db2.gz OYHKOVMXUBCLPC-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO COC[C@@H]([NH3+])CN(C)c1ccncc1 82593424 572055994 /nfs/dbraw/zinc/05/59/94/572055994.db2.gz TVUCPNCEWPWBJV-VIFPVBQESA-N 1 3 195.266 0.492 10 0 ACAEHO NC(=O)CCN1CCCC[C@@H]1CC[NH3+] 82594494 572056845 /nfs/dbraw/zinc/05/68/45/572056845.db2.gz YDJBBZWIAMASRB-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO C[C@@H](CC[NH3+])NCc1cc[nH]c(=O)c1 235087293 572056107 /nfs/dbraw/zinc/05/61/07/572056107.db2.gz ORWKIHVEQCJRPF-QMMMGPOBSA-N 1 3 195.266 0.202 10 0 ACAEHO C[C@@H](CC[NH3+])NCc1ccc(=O)[nH]c1 235087344 572056151 /nfs/dbraw/zinc/05/61/51/572056151.db2.gz UPOZAFJRGGFFOB-QMMMGPOBSA-N 1 3 195.266 0.202 10 0 ACAEHO C[C@@H](CC[NH3+])NC[C@@H](C)n1cncn1 235086394 572056232 /nfs/dbraw/zinc/05/62/32/572056232.db2.gz PLAKWXPVPPBUQP-DTWKUNHWSA-N 1 3 197.286 0.166 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@@H](C)n1cncn1 235086394 572056238 /nfs/dbraw/zinc/05/62/38/572056238.db2.gz PLAKWXPVPPBUQP-DTWKUNHWSA-N 1 3 197.286 0.166 10 0 ACAEHO CN(C)CCN(C)CC[C@H]1CCC[NH2+]1 82542747 572056324 /nfs/dbraw/zinc/05/63/24/572056324.db2.gz UVHHRNDKSPCGCF-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO COC[C@H]([NH3+])CN(C)c1ccncc1 82593427 572056339 /nfs/dbraw/zinc/05/63/39/572056339.db2.gz TVUCPNCEWPWBJV-SECBINFHSA-N 1 3 195.266 0.492 10 0 ACAEHO NCC[C@@H]1CCCC[N@@H+]1CCC(N)=O 82594492 572056348 /nfs/dbraw/zinc/05/63/48/572056348.db2.gz YDJBBZWIAMASRB-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO NCC[C@@H]1CCCC[N@H+]1CCC(N)=O 82594492 572056350 /nfs/dbraw/zinc/05/63/50/572056350.db2.gz YDJBBZWIAMASRB-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO NC(=O)CCN1CCCC[C@H]1CC[NH3+] 82594492 572056352 /nfs/dbraw/zinc/05/63/52/572056352.db2.gz YDJBBZWIAMASRB-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO CN(C)CCCN(C)C(=[NH2+])NC1CC1 82542581 572056360 /nfs/dbraw/zinc/05/63/60/572056360.db2.gz XECDEISHLBPLQV-UHFFFAOYSA-N 1 3 198.314 0.557 10 0 ACAEHO C[C@@H](O)[C@@H](C)N(C)CCC[NH+](C)C 82543216 572056417 /nfs/dbraw/zinc/05/64/17/572056417.db2.gz FIRCFNNGGHKRNN-NXEZZACHSA-N 1 3 188.315 0.639 10 0 ACAEHO C[C@H](O)[C@@H](C)N(C)CCC[NH+](C)C 82543218 572056450 /nfs/dbraw/zinc/05/64/50/572056450.db2.gz FIRCFNNGGHKRNN-ZJUUUORDSA-N 1 3 188.315 0.639 10 0 ACAEHO CN(C)CCN(C)C[C@]1(C)CC[NH2+]C1 82542610 572056509 /nfs/dbraw/zinc/05/65/09/572056509.db2.gz JACOWRKUBKOGLV-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO C[C@@H](CN1CCC(CO)CC1)C(N)=[NH2+] 36678582 572057353 /nfs/dbraw/zinc/05/73/53/572057353.db2.gz YBDSNDYKUYUYSN-QMMMGPOBSA-N 1 3 199.298 0.263 10 0 ACAEHO CN(CCC(N)=[NH2+])C1CCOCC1 36321342 572056690 /nfs/dbraw/zinc/05/66/90/572056690.db2.gz REVLSKMGMWVHFA-UHFFFAOYSA-N 1 3 185.271 0.423 10 0 ACAEHO CN(C)CCN(C)C[C@@H]1CCC[C@@H]1[NH3+] 82543583 572056740 /nfs/dbraw/zinc/05/67/40/572056740.db2.gz ZAKNAVDRRVIILL-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)[C@H]([NH3+])CN(C)CCN(C)C 82542597 572056794 /nfs/dbraw/zinc/05/67/94/572056794.db2.gz HIAFHTKSXVRORY-SNVBAGLBSA-N 1 3 187.331 0.463 10 0 ACAEHO CCNC(=[NH2+])N(C)CCCN(C)C 82542589 572056831 /nfs/dbraw/zinc/05/68/31/572056831.db2.gz JUHRLUIKZDUILU-UHFFFAOYSA-N 1 3 186.303 0.414 10 0 ACAEHO NCC[C@H]1CCCC[N@@H+]1CCC(N)=O 82594494 572056840 /nfs/dbraw/zinc/05/68/40/572056840.db2.gz YDJBBZWIAMASRB-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO NCC[C@H]1CCCC[N@H+]1CCC(N)=O 82594494 572056843 /nfs/dbraw/zinc/05/68/43/572056843.db2.gz YDJBBZWIAMASRB-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CC[C@@H](CCO)C1 229181418 572056883 /nfs/dbraw/zinc/05/68/83/572056883.db2.gz HWCBTXRWJUCKNH-IUCAKERBSA-N 1 3 199.298 0.405 10 0 ACAEHO C[N@H+](CCCN)C1CCOCC1 36320514 572057366 /nfs/dbraw/zinc/05/73/66/572057366.db2.gz PZJQIBOVZOZZGO-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO C[N@@H+](CCCN)C1CCOCC1 36320514 572057368 /nfs/dbraw/zinc/05/73/68/572057368.db2.gz PZJQIBOVZOZZGO-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO NCC[C@@H]1CCCC[N@@H+]1CCCO 82594554 572057037 /nfs/dbraw/zinc/05/70/37/572057037.db2.gz ZYMKGAPBRKPILC-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO NCC[C@@H]1CCCC[N@H+]1CCCO 82594554 572057039 /nfs/dbraw/zinc/05/70/39/572057039.db2.gz ZYMKGAPBRKPILC-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+]CC[C@@H]1CCCCN1CCCO 82594554 572057042 /nfs/dbraw/zinc/05/70/42/572057042.db2.gz ZYMKGAPBRKPILC-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO CN(C)CCN(C)C[C@H]1CCC[C@@H]1[NH3+] 82543584 572057047 /nfs/dbraw/zinc/05/70/47/572057047.db2.gz ZAKNAVDRRVIILL-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO CN(C)CCN(C)C[C@@](C)([NH3+])C1CC1 82542638 572057070 /nfs/dbraw/zinc/05/70/70/572057070.db2.gz SRTVYTQMBSMHIZ-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CN(CCC[NH3+])C1CCOCC1 36320514 572057370 /nfs/dbraw/zinc/05/73/70/572057370.db2.gz PZJQIBOVZOZZGO-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO CC[C@@H](C[NH3+])N1[C@H]2CC[C@@H]1CC(O)C2 82597327 572057576 /nfs/dbraw/zinc/05/75/76/572057576.db2.gz ZROOHORCERYLSM-GKDVJIACSA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@H](CN)C[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597340 572057651 /nfs/dbraw/zinc/05/76/51/572057651.db2.gz MFDDNLZAKCLKAA-NFLHVTIKSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@H](CN)C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597340 572057654 /nfs/dbraw/zinc/05/76/54/572057654.db2.gz MFDDNLZAKCLKAA-NFLHVTIKSA-N 1 3 198.310 0.569 10 0 ACAEHO CC[C@@H](CC(N)=[NH2+])N1CCN(C)CC1 36677944 572058680 /nfs/dbraw/zinc/05/86/80/572058680.db2.gz ZNHTZSHPBLCNNZ-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597353 572058692 /nfs/dbraw/zinc/05/86/92/572058692.db2.gz SSCJVMSCTXYHOQ-GKDVJIACSA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@@H](CCN)[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597353 572058695 /nfs/dbraw/zinc/05/86/95/572058695.db2.gz SSCJVMSCTXYHOQ-GKDVJIACSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@@H]1COCCN1CCCC(N)=[NH2+] 36326745 572059043 /nfs/dbraw/zinc/05/90/43/572059043.db2.gz XGEWLYATIYFVRH-SECBINFHSA-N 1 3 199.298 0.813 10 0 ACAEHO CC[C@@H](CCN)[NH+]1CCC(O)CC1 36677466 572059439 /nfs/dbraw/zinc/05/94/39/572059439.db2.gz CEWAYVNGZQHWCR-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]1COCCN1CCCC(N)=[NH2+] 36326747 572059212 /nfs/dbraw/zinc/05/92/12/572059212.db2.gz XGEWLYATIYFVRH-VIFPVBQESA-N 1 3 199.298 0.813 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCN(CC)CC1 36677478 572059220 /nfs/dbraw/zinc/05/92/20/572059220.db2.gz JIUJVFLLWRPCNZ-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO C[C@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1C 82569845 572059303 /nfs/dbraw/zinc/05/93/03/572059303.db2.gz JZCHHXXLVAHWIA-XKNYDFJKSA-N 1 3 168.284 0.840 10 0 ACAEHO CC[C@H](CC[NH3+])N1CCC(O)CC1 36677467 572059347 /nfs/dbraw/zinc/05/93/47/572059347.db2.gz CEWAYVNGZQHWCR-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H](CCN)[NH+]1CCC(O)CC1 36677467 572059349 /nfs/dbraw/zinc/05/93/49/572059349.db2.gz CEWAYVNGZQHWCR-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]([NH3+])CCN(C)C1CCOCC1 36320874 572059404 /nfs/dbraw/zinc/05/94/04/572059404.db2.gz VVWFSJBYKQHUJU-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCC(O)CC1 36677466 572059436 /nfs/dbraw/zinc/05/94/36/572059436.db2.gz CEWAYVNGZQHWCR-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CC)C[C@H](C)C(N)=[NH2+] 36677931 572059458 /nfs/dbraw/zinc/05/94/58/572059458.db2.gz GFEZMRNSMDQOJQ-ZETCQYMHSA-N 1 3 157.261 0.900 10 0 ACAEHO CCN(CC)C[C@@H](C)C(N)=[NH2+] 36677930 572059623 /nfs/dbraw/zinc/05/96/23/572059623.db2.gz GFEZMRNSMDQOJQ-SSDOTTSWSA-N 1 3 157.261 0.900 10 0 ACAEHO CCN1CC[C@@H]([NH3+])[C@@H](N2CCCC2)C1 250221600 572059712 /nfs/dbraw/zinc/05/97/12/572059712.db2.gz DWXDBZBLFRHFGN-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1CC[C@@H](N)[C@@H]([NH+]2CCCC2)C1 250221600 572059715 /nfs/dbraw/zinc/05/97/15/572059715.db2.gz DWXDBZBLFRHFGN-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1OCC[C@@H]1C[NH2+]CC1CNC1 235611298 572059781 /nfs/dbraw/zinc/05/97/81/572059781.db2.gz QDBANPQVUSYKCR-PSASIEDQSA-N 1 3 184.283 0.220 10 0 ACAEHO C[C@H](CCN)[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597356 572059989 /nfs/dbraw/zinc/05/99/89/572059989.db2.gz SSCJVMSCTXYHOQ-NFLHVTIKSA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@H](CCN)[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597356 572059991 /nfs/dbraw/zinc/05/99/91/572059991.db2.gz SSCJVMSCTXYHOQ-NFLHVTIKSA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@H](CN1CCC(CO)CC1)C(N)=[NH2+] 36678583 572060007 /nfs/dbraw/zinc/06/00/07/572060007.db2.gz YBDSNDYKUYUYSN-MRVPVSSYSA-N 1 3 199.298 0.263 10 0 ACAEHO NCCC[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597333 572060013 /nfs/dbraw/zinc/06/00/13/572060013.db2.gz YHESOJSXNVEIMH-ULKQDVFKSA-N 1 3 184.283 0.323 10 0 ACAEHO NCCC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82597333 572060015 /nfs/dbraw/zinc/06/00/15/572060015.db2.gz YHESOJSXNVEIMH-ULKQDVFKSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+]CCCN1[C@H]2CC[C@@H]1CC(O)C2 82597333 572060018 /nfs/dbraw/zinc/06/00/18/572060018.db2.gz YHESOJSXNVEIMH-ULKQDVFKSA-N 1 3 184.283 0.323 10 0 ACAEHO CC[C@H](C[NH3+])N1[C@H]2CC[C@@H]1CC(O)C2 82597329 572060145 /nfs/dbraw/zinc/06/01/45/572060145.db2.gz ZROOHORCERYLSM-NFLHVTIKSA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@H](CN)C[N@H+](C)C1CCOCC1 36320517 572060550 /nfs/dbraw/zinc/06/05/50/572060550.db2.gz CCBOMHSSKCQLIV-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](CN)C[N@@H+](C)C1CCOCC1 36320517 572060553 /nfs/dbraw/zinc/06/05/53/572060553.db2.gz CCBOMHSSKCQLIV-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](C[NH3+])CN(C)C1CCOCC1 36320517 572060556 /nfs/dbraw/zinc/06/05/56/572060556.db2.gz CCBOMHSSKCQLIV-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H](C)Cn1ccnc1 235094424 572060602 /nfs/dbraw/zinc/06/06/02/572060602.db2.gz NRYBYNOKGONBBF-DTWKUNHWSA-N 1 3 182.271 0.208 10 0 ACAEHO CN(C[C@]1(C[NH3+])CCCOC1)C1CC1 82582281 572060754 /nfs/dbraw/zinc/06/07/54/572060754.db2.gz JJJDIKCJHHGQIY-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO C[N@H+](C[C@]1(CN)CCCOC1)C1CC1 82582281 572060756 /nfs/dbraw/zinc/06/07/56/572060756.db2.gz JJJDIKCJHHGQIY-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO C[N@@H+](C[C@]1(CN)CCCOC1)C1CC1 82582281 572060758 /nfs/dbraw/zinc/06/07/58/572060758.db2.gz JJJDIKCJHHGQIY-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H](NC1CC1)[C@H]1CCCOC1 82581394 572061088 /nfs/dbraw/zinc/06/10/88/572061088.db2.gz HNITUJRNZKMOJB-WCBMZHEXSA-N 1 3 184.283 0.492 10 0 ACAEHO CC(C)N(CCO)CCC[NH3+] 36732046 572061256 /nfs/dbraw/zinc/06/12/56/572061256.db2.gz TUCFLTJKRZVLPH-UHFFFAOYSA-N 1 3 160.261 0.038 10 0 ACAEHO NC(=[NH2+])CCN1CCC(CO)CC1 36720978 572061540 /nfs/dbraw/zinc/06/15/40/572061540.db2.gz XGJGMSMUMAIDBQ-UHFFFAOYSA-N 1 3 185.271 0.017 10 0 ACAEHO NCCC[NH2+]C[C@H]1CCCOC1 82581093 572061953 /nfs/dbraw/zinc/06/19/53/572061953.db2.gz UGPMTAZNEJDKBT-SECBINFHSA-N 1 3 172.272 0.351 10 0 ACAEHO CN(C[C@@]1(C[NH3+])CCCOC1)C1CC1 82582282 572062036 /nfs/dbraw/zinc/06/20/36/572062036.db2.gz JJJDIKCJHHGQIY-NSHDSACASA-N 1 3 198.310 0.836 10 0 ACAEHO C[N@H+](C[C@@]1(CN)CCCOC1)C1CC1 82582282 572062040 /nfs/dbraw/zinc/06/20/40/572062040.db2.gz JJJDIKCJHHGQIY-NSHDSACASA-N 1 3 198.310 0.836 10 0 ACAEHO C[N@@H+](C[C@@]1(CN)CCCOC1)C1CC1 82582282 572062043 /nfs/dbraw/zinc/06/20/43/572062043.db2.gz JJJDIKCJHHGQIY-NSHDSACASA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H](NC1CC1)[C@@H]1CCCOC1 82581397 572062065 /nfs/dbraw/zinc/06/20/65/572062065.db2.gz HNITUJRNZKMOJB-SCZZXKLOSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+]C[C@@H](NC1CC1)[C@@H]1CCCOC1 82581395 572062338 /nfs/dbraw/zinc/06/23/38/572062338.db2.gz HNITUJRNZKMOJB-PSASIEDQSA-N 1 3 184.283 0.492 10 0 ACAEHO CCCN(CCC[NH3+])CCN(C)C 36731897 572062650 /nfs/dbraw/zinc/06/26/50/572062650.db2.gz UINLDLPIAXRNPH-UHFFFAOYSA-N 1 3 187.331 0.609 10 0 ACAEHO NCCC[NH2+]C[C@@H]1CCCOC1 82581094 572062697 /nfs/dbraw/zinc/06/26/97/572062697.db2.gz UGPMTAZNEJDKBT-VIFPVBQESA-N 1 3 172.272 0.351 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@@]1(C)CCCOC1 235098233 572063004 /nfs/dbraw/zinc/06/30/04/572063004.db2.gz FCXQRWPFLSKHFV-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC(C)N(CCC[NH3+])CCN(C)C 36731988 572063139 /nfs/dbraw/zinc/06/31/39/572063139.db2.gz GTSXCAMEDJISGJ-UHFFFAOYSA-N 1 3 187.331 0.607 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@]1(C)CCCOC1 235098417 572063318 /nfs/dbraw/zinc/06/33/18/572063318.db2.gz FCXQRWPFLSKHFV-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO C[NH2+]C/C=C\CN(C)C 78217015 572063597 /nfs/dbraw/zinc/06/35/97/572063597.db2.gz DISRZRNVQHCJIW-PLNGDYQASA-N 1 3 128.219 0.324 10 0 ACAEHO C[NH2+]CCCN1[C@H]2CC[C@@H]1CC(O)C2 82598203 572063801 /nfs/dbraw/zinc/06/38/01/572063801.db2.gz MRZMEUVUZNPANU-ZACCUICWSA-N 1 3 198.310 0.584 10 0 ACAEHO CNCCC[N@@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598203 572063803 /nfs/dbraw/zinc/06/38/03/572063803.db2.gz MRZMEUVUZNPANU-ZACCUICWSA-N 1 3 198.310 0.584 10 0 ACAEHO CNCCC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2 82598203 572063804 /nfs/dbraw/zinc/06/38/04/572063804.db2.gz MRZMEUVUZNPANU-ZACCUICWSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@@H+]1[C@H]2CCC[C@@H]1CNCC2 34200077 572064186 /nfs/dbraw/zinc/06/41/86/572064186.db2.gz KXBITJMADDUVDA-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO C[N@H+]1[C@H]2CCC[C@@H]1CNCC2 34200077 572064189 /nfs/dbraw/zinc/06/41/89/572064189.db2.gz KXBITJMADDUVDA-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@@H](C1CC1)N(C)C[C@H](O)C[NH3+] 36785083 572064216 /nfs/dbraw/zinc/06/42/16/572064216.db2.gz NQLOXAWKPFSMKM-IONNQARKSA-N 1 3 172.272 0.036 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]2CN(C3COC3)C[C@H]12 687780258 572064318 /nfs/dbraw/zinc/06/43/18/572064318.db2.gz GBLUJOXUPWGYBW-INTQDDNPSA-N 1 3 196.294 0.444 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)[C@@H](C)C(C)C 36787126 572064438 /nfs/dbraw/zinc/06/44/38/572064438.db2.gz HWWHPIUBVGGVCT-VHSXEESVSA-N 1 3 188.315 0.543 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]2CN(C3COC3)C[C@@H]12 687780259 572064463 /nfs/dbraw/zinc/06/44/63/572064463.db2.gz GBLUJOXUPWGYBW-JMJZKYOTSA-N 1 3 196.294 0.444 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)[C@H](C)C(C)C 36787125 572064514 /nfs/dbraw/zinc/06/45/14/572064514.db2.gz HWWHPIUBVGGVCT-NXEZZACHSA-N 1 3 188.315 0.543 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]2CN(C3COC3)C[C@@H]21 687780256 572065161 /nfs/dbraw/zinc/06/51/61/572065161.db2.gz GBLUJOXUPWGYBW-DVVUODLYSA-N 1 3 196.294 0.444 10 0 ACAEHO CCC(CC)N(C)C[C@H](O)C[NH2+]C 36788920 572065203 /nfs/dbraw/zinc/06/52/03/572065203.db2.gz ZEZAPSWZOMIGQA-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]2CN(C3COC3)C[C@H]21 687780257 572065333 /nfs/dbraw/zinc/06/53/33/572065333.db2.gz GBLUJOXUPWGYBW-FBIMIBRVSA-N 1 3 196.294 0.444 10 0 ACAEHO CCC(CC)N(C)C[C@@H](O)C[NH2+]C 36788921 572065488 /nfs/dbraw/zinc/06/54/88/572065488.db2.gz ZEZAPSWZOMIGQA-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)[C@@H](C)C1CC1 36785085 572065631 /nfs/dbraw/zinc/06/56/31/572065631.db2.gz LVCXBHSLJPHXRK-WCBMZHEXSA-N 1 3 186.299 0.297 10 0 ACAEHO CC[C@@H]1CN(CCCC[NH3+])CCO1 36769214 572065737 /nfs/dbraw/zinc/06/57/37/572065737.db2.gz FIKCKVMOVWKJDI-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CC[C@@H]1CN(CCCC(N)=[NH2+])CCO1 36769944 572066370 /nfs/dbraw/zinc/06/63/70/572066370.db2.gz HIJJARBBGWKNRH-SECBINFHSA-N 1 3 199.298 0.813 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)C[C@@H]1C[C@@H]1C 82648250 572066698 /nfs/dbraw/zinc/06/66/98/572066698.db2.gz PVKINDNOLXNRGM-LPEHRKFASA-N 1 3 186.299 0.155 10 0 ACAEHO CNC[C@@H](O)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648250 572066700 /nfs/dbraw/zinc/06/67/00/572066700.db2.gz PVKINDNOLXNRGM-LPEHRKFASA-N 1 3 186.299 0.155 10 0 ACAEHO CNC[C@@H](O)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648250 572066703 /nfs/dbraw/zinc/06/67/03/572066703.db2.gz PVKINDNOLXNRGM-LPEHRKFASA-N 1 3 186.299 0.155 10 0 ACAEHO C[C@@H]1C[C@@H]1CN(C)CCC(N)=[NH2+] 82648769 572066714 /nfs/dbraw/zinc/06/67/14/572066714.db2.gz STYIKCRYEIMYTG-HTQZYQBOSA-N 1 3 169.272 0.900 10 0 ACAEHO CC[C@H]1CN(CCCC(N)=[NH2+])CCO1 36769945 572066849 /nfs/dbraw/zinc/06/68/49/572066849.db2.gz HIJJARBBGWKNRH-VIFPVBQESA-N 1 3 199.298 0.813 10 0 ACAEHO C[C@@H](CN)[NH2+][C@H]1CCN(C2CC2)C1 235102166 572066918 /nfs/dbraw/zinc/06/69/18/572066918.db2.gz IOXQFPFQWIGURM-IUCAKERBSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H]1CCN(C2CC2)C1 235102166 572066921 /nfs/dbraw/zinc/06/69/21/572066921.db2.gz IOXQFPFQWIGURM-IUCAKERBSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H](C[NH3+])CNCCOCC1CC1 235097485 572067172 /nfs/dbraw/zinc/06/71/72/572067172.db2.gz QFFBGOLMHDVNJL-VIFPVBQESA-N 1 3 186.299 0.597 10 0 ACAEHO C[C@H](C1CC1)N(C)C[C@H](O)C[NH3+] 36785084 572067432 /nfs/dbraw/zinc/06/74/32/572067432.db2.gz NQLOXAWKPFSMKM-VXNVDRBHSA-N 1 3 172.272 0.036 10 0 ACAEHO CC[C@H]1CN(CCCC[NH3+])CCO1 36769215 572067475 /nfs/dbraw/zinc/06/74/75/572067475.db2.gz FIKCKVMOVWKJDI-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CN(CCC(N)=[NH2+])CC1CC1 36765409 572067500 /nfs/dbraw/zinc/06/75/00/572067500.db2.gz CTLMGXYTRSBYSY-UHFFFAOYSA-N 1 3 155.245 0.654 10 0 ACAEHO N=C(N)Nc1nc2c(s1)C[NH2+]CC2 34246042 572067691 /nfs/dbraw/zinc/06/76/91/572067691.db2.gz RUIDGPOZILPJAW-UHFFFAOYSA-N 1 3 197.267 0.094 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)[C@H](C)C1CC1 36785086 572067715 /nfs/dbraw/zinc/06/77/15/572067715.db2.gz LVCXBHSLJPHXRK-PSASIEDQSA-N 1 3 186.299 0.297 10 0 ACAEHO CCCN1CCN(C[C@H]([NH3+])CC)CC1 36871999 572068690 /nfs/dbraw/zinc/06/86/90/572068690.db2.gz NIDYRBSEGYHOFE-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO NC(=[NH2+])CCN1[C@H]2CC[C@@H]1CC(O)C2 82597655 572068756 /nfs/dbraw/zinc/06/87/56/572068756.db2.gz RWJOSONPWJSHNF-JVHMLUBASA-N 1 3 197.282 0.300 10 0 ACAEHO C[C@@H]1C[NH2+]CC(C)(C)[C@@H]1N 34268637 572069087 /nfs/dbraw/zinc/06/90/87/572069087.db2.gz CMNKORJUGMNSRJ-RNFRBKRXSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@@H]1CNCC(C)(C)[C@@H]1[NH3+] 34268637 572069090 /nfs/dbraw/zinc/06/90/90/572069090.db2.gz CMNKORJUGMNSRJ-RNFRBKRXSA-N 1 3 142.246 0.579 10 0 ACAEHO CCCN1CCN(C[C@@H]([NH3+])CC)CC1 36872000 572069722 /nfs/dbraw/zinc/06/97/22/572069722.db2.gz NIDYRBSEGYHOFE-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@H](N)C[NH+]1CCC(OC)CC1 36872071 572069766 /nfs/dbraw/zinc/06/97/66/572069766.db2.gz QMDYCOLVTFETLI-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1C[NH2+]CC(C)(C)[C@H]1N 34268639 572069921 /nfs/dbraw/zinc/06/99/21/572069921.db2.gz CMNKORJUGMNSRJ-RQJHMYQMSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@@H]1CNCC(C)(C)[C@H]1[NH3+] 34268639 572069923 /nfs/dbraw/zinc/06/99/23/572069923.db2.gz CMNKORJUGMNSRJ-RQJHMYQMSA-N 1 3 142.246 0.579 10 0 ACAEHO CC[C@]1(C)C[NH2+]C[C@H](C)[C@@H]1N 34268650 572069980 /nfs/dbraw/zinc/06/99/80/572069980.db2.gz YECOFTHXCMGRPR-XHNCKOQMSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@]1(C)CNC[C@H](C)[C@@H]1[NH3+] 34268650 572069983 /nfs/dbraw/zinc/06/99/83/572069983.db2.gz YECOFTHXCMGRPR-XHNCKOQMSA-N 1 3 156.273 0.969 10 0 ACAEHO CCC[C@@H](C)N(C)C[C@H](O)C[NH3+] 36790404 572070098 /nfs/dbraw/zinc/07/00/98/572070098.db2.gz HZQSXSCTVBDHPC-RKDXNWHRSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@]1(C)C[NH2+]C[C@@H](C)[C@@H]1N 34268652 572070332 /nfs/dbraw/zinc/07/03/32/572070332.db2.gz YECOFTHXCMGRPR-HRDYMLBCSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@]1(C)CNC[C@@H](C)[C@@H]1[NH3+] 34268652 572070336 /nfs/dbraw/zinc/07/03/36/572070336.db2.gz YECOFTHXCMGRPR-HRDYMLBCSA-N 1 3 156.273 0.969 10 0 ACAEHO CCC[C@H](C)N(C)C[C@H](O)C[NH2+]C 36790407 572070351 /nfs/dbraw/zinc/07/03/51/572070351.db2.gz PVLGSGJVWPQBFZ-VHSXEESVSA-N 1 3 188.315 0.687 10 0 ACAEHO C[C@H]1C[NH2+]CC(C)(C)[C@H]1N 34268640 572070357 /nfs/dbraw/zinc/07/03/57/572070357.db2.gz CMNKORJUGMNSRJ-BQBZGAKWSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@H]1CNCC(C)(C)[C@H]1[NH3+] 34268640 572070359 /nfs/dbraw/zinc/07/03/59/572070359.db2.gz CMNKORJUGMNSRJ-BQBZGAKWSA-N 1 3 142.246 0.579 10 0 ACAEHO CC[C@@H](N)C[NH+]1CCC(OC)CC1 36872072 572070500 /nfs/dbraw/zinc/07/05/00/572070500.db2.gz QMDYCOLVTFETLI-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1C[NH2+]CC(C)(C)[C@@H]1N 34268638 572070573 /nfs/dbraw/zinc/07/05/73/572070573.db2.gz CMNKORJUGMNSRJ-NKWVEPMBSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@H]1CNCC(C)(C)[C@@H]1[NH3+] 34268638 572070576 /nfs/dbraw/zinc/07/05/76/572070576.db2.gz CMNKORJUGMNSRJ-NKWVEPMBSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1cscn1 82627060 572073781 /nfs/dbraw/zinc/07/37/81/572073781.db2.gz SGRNPQIPYSBKHJ-QMMMGPOBSA-N 1 3 199.323 0.870 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1cscn1 82627060 572073785 /nfs/dbraw/zinc/07/37/85/572073785.db2.gz SGRNPQIPYSBKHJ-QMMMGPOBSA-N 1 3 199.323 0.870 10 0 ACAEHO C[C@@H](CN(C)C)NC[C@@H]1CCCC[NH2+]1 235108317 572073786 /nfs/dbraw/zinc/07/37/86/572073786.db2.gz UDIFFTJLVAGEKC-QWRGUYRKSA-N 1 3 199.342 0.668 10 0 ACAEHO CCN(CCC[NH3+])CCOC 36883442 572074343 /nfs/dbraw/zinc/07/43/43/572074343.db2.gz DUYNNFAMVOXKJD-UHFFFAOYSA-N 1 3 160.261 0.304 10 0 ACAEHO CCCN(CCC[NH3+])CCOC 36883449 572074477 /nfs/dbraw/zinc/07/44/77/572074477.db2.gz MVRVZYTVBDZFGE-UHFFFAOYSA-N 1 3 174.288 0.694 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1cscn1 82627061 572074481 /nfs/dbraw/zinc/07/44/81/572074481.db2.gz SGRNPQIPYSBKHJ-MRVPVSSYSA-N 1 3 199.323 0.870 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1cscn1 82627061 572074483 /nfs/dbraw/zinc/07/44/83/572074483.db2.gz SGRNPQIPYSBKHJ-MRVPVSSYSA-N 1 3 199.323 0.870 10 0 ACAEHO CCN(C[C@@H](O)C[NH3+])C(C)C 37082052 572085245 /nfs/dbraw/zinc/08/52/45/572085245.db2.gz BKXNOTTVLXUDFZ-QMMMGPOBSA-N 1 3 160.261 0.036 10 0 ACAEHO [NH3+]CCCNCCc1cscn1 82627007 572074639 /nfs/dbraw/zinc/07/46/39/572074639.db2.gz ANZLEFWRFCXOHQ-UHFFFAOYSA-N 1 3 185.296 0.624 10 0 ACAEHO NCC[N@H+](CCOC1CC1)C1CCC1 711672442 572075397 /nfs/dbraw/zinc/07/53/97/572075397.db2.gz UZJYFSUUFKBQTK-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO NCC[N@@H+](CCOC1CC1)C1CCC1 711672442 572075400 /nfs/dbraw/zinc/07/54/00/572075400.db2.gz UZJYFSUUFKBQTK-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCN(C(C)C)CC1 36872108 572075524 /nfs/dbraw/zinc/07/55/24/572075524.db2.gz OZTDYBMSCDRNDL-LLVKDONJSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CN(C)C)NC[C@@H]1CCC[NH2+]1 235108436 572075564 /nfs/dbraw/zinc/07/55/64/572075564.db2.gz CJOODKIUICJVCM-UWVGGRQHSA-N 1 3 185.315 0.278 10 0 ACAEHO CC[C@H]([NH3+])CN1CCN(C(C)C)CC1 36872107 572075574 /nfs/dbraw/zinc/07/55/74/572075574.db2.gz OZTDYBMSCDRNDL-NSHDSACASA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H](CC(N)=[NH2+])N1CCC(O)CC1 36987021 572076896 /nfs/dbraw/zinc/07/68/96/572076896.db2.gz SYZJPBOPQVYYGH-MRVPVSSYSA-N 1 3 199.298 0.548 10 0 ACAEHO CNCc1cn(CC[NH+](C)C)cn1 234392016 572077270 /nfs/dbraw/zinc/07/72/70/572077270.db2.gz OGFHHOIZCRTHSH-UHFFFAOYSA-N 1 3 182.271 0.164 10 0 ACAEHO CCN1CCN(C[C@H](C)C(N)=[NH2+])CC1 36987043 572078092 /nfs/dbraw/zinc/07/80/92/572078092.db2.gz GMAXOPHVFCDVGJ-VIFPVBQESA-N 1 3 198.314 0.196 10 0 ACAEHO CCCN1CCN(C[C@H](C)C[NH3+])CC1 36986742 572077626 /nfs/dbraw/zinc/07/76/26/572077626.db2.gz ITCSXCNLYHYSBS-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@H](NC1(C[NH3+])CC1)[C@@H](C)CO 235110956 572077977 /nfs/dbraw/zinc/07/79/77/572077977.db2.gz MKCMNPILAAAOCY-YUMQZZPRSA-N 1 3 172.272 0.084 10 0 ACAEHO C[NH2+]C[C@H](C)CNC1CC(OC)C1 234391989 572078034 /nfs/dbraw/zinc/07/80/34/572078034.db2.gz YFLDHYIDGLJCMU-IDKOKCKLSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@@H](CC(N)=[NH2+])N1CCC(O)CC1 36987020 572078494 /nfs/dbraw/zinc/07/84/94/572078494.db2.gz SYZJPBOPQVYYGH-QMMMGPOBSA-N 1 3 199.298 0.548 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCC[NH2+]CC1 82666936 572078810 /nfs/dbraw/zinc/07/88/10/572078810.db2.gz ZVXABRBOEHEUHP-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H]1CCN(CCN(C)C)[C@H](C[NH3+])C1 82643429 572078837 /nfs/dbraw/zinc/07/88/37/572078837.db2.gz BLGMWDYTPZVAGZ-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCCN(CCCO)C1 82645431 572079067 /nfs/dbraw/zinc/07/90/67/572079067.db2.gz ICKJSKJGIAWCOM-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)C[C@@H]([NH3+])CCN 34410438 572079376 /nfs/dbraw/zinc/07/93/76/572079376.db2.gz VIZDVWMUBSZSMV-ZETCQYMHSA-N 1 3 130.235 0.709 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CCC[NH2+]CC1 82666935 572079405 /nfs/dbraw/zinc/07/94/05/572079405.db2.gz ZVXABRBOEHEUHP-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCCN1CCN(C[C@@H](C)C[NH3+])CC1 36986741 572079491 /nfs/dbraw/zinc/07/94/91/572079491.db2.gz ITCSXCNLYHYSBS-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCCN(CCN(C)C)C1 82645437 572079492 /nfs/dbraw/zinc/07/94/92/572079492.db2.gz KSGFBVDRKSRSCF-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCCN(CCN(C)C)C1 82645438 572079552 /nfs/dbraw/zinc/07/95/52/572079552.db2.gz KSGFBVDRKSRSCF-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCCN(CCCO)C1 82645429 572079634 /nfs/dbraw/zinc/07/96/34/572079634.db2.gz ICKJSKJGIAWCOM-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCCN(CCCO)C1 82645432 572079854 /nfs/dbraw/zinc/07/98/54/572079854.db2.gz ICKJSKJGIAWCOM-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN1CCN(C[C@@H](C)C(N)=[NH2+])CC1 36987042 572079883 /nfs/dbraw/zinc/07/98/83/572079883.db2.gz GMAXOPHVFCDVGJ-SECBINFHSA-N 1 3 198.314 0.196 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)[C@H](C[NH3+])C1 82643430 572080109 /nfs/dbraw/zinc/08/01/09/572080109.db2.gz BLGMWDYTPZVAGZ-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCCN(CCN(C)C)C1 82645440 572080257 /nfs/dbraw/zinc/08/02/57/572080257.db2.gz KSGFBVDRKSRSCF-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO COCCN[C@H]1CCC[NH2+]CC1 82666757 572080267 /nfs/dbraw/zinc/08/02/67/572080267.db2.gz HJTDNJWAPMTJAZ-VIFPVBQESA-N 1 3 172.272 0.365 10 0 ACAEHO COCCN[C@@H]1CCC[NH2+]CC1 82666756 572080293 /nfs/dbraw/zinc/08/02/93/572080293.db2.gz HJTDNJWAPMTJAZ-SECBINFHSA-N 1 3 172.272 0.365 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCO)C1 82645430 572080348 /nfs/dbraw/zinc/08/03/48/572080348.db2.gz ICKJSKJGIAWCOM-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(C)C[C@@H](O)c1ccc(C[NH3+])cc1 37050241 572080355 /nfs/dbraw/zinc/08/03/55/572080355.db2.gz JTFRXJZDSUWYSL-LLVKDONJSA-N 1 3 194.278 0.740 10 0 ACAEHO C[C@@H](CNC[C@H]1CCCC[NH2+]1)N(C)C 235114235 572080674 /nfs/dbraw/zinc/08/06/74/572080674.db2.gz LAWZNOBVUWYSBD-WDEREUQCSA-N 1 3 199.342 0.668 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCCN(CCN(C)C)C1 82645439 572080686 /nfs/dbraw/zinc/08/06/86/572080686.db2.gz KSGFBVDRKSRSCF-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@H]1[C@H]([NH3+])CCN1CC 22943669 572080704 /nfs/dbraw/zinc/08/07/04/572080704.db2.gz BNOYCDQDTWFSTL-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CN1CCC[NH2+]CCCN(C)CCC1 34441898 572080761 /nfs/dbraw/zinc/08/07/61/572080761.db2.gz QALIFDHATXGRKL-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO CCNC[C@H](O)C[N@H+](CC)C1CC1 37079799 572081160 /nfs/dbraw/zinc/08/11/60/572081160.db2.gz DTKLFCGHDGTNSC-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CCNC[C@H](O)C[N@@H+](CC)C1CC1 37079799 572081161 /nfs/dbraw/zinc/08/11/61/572081161.db2.gz DTKLFCGHDGTNSC-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CC(C)N1CCN(CCCC[NH3+])CC1 37039854 572081529 /nfs/dbraw/zinc/08/15/29/572081529.db2.gz ZGRRNPXHOKHFSW-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CCNC[C@@H](O)C[N@H+](CC)C1CC1 37079800 572081691 /nfs/dbraw/zinc/08/16/91/572081691.db2.gz DTKLFCGHDGTNSC-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+](CC)C1CC1 37079800 572081696 /nfs/dbraw/zinc/08/16/96/572081696.db2.gz DTKLFCGHDGTNSC-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CC(C)N1CCN(C[C@@H](C)C[NH3+])CC1 37049019 572082192 /nfs/dbraw/zinc/08/21/92/572082192.db2.gz QPJMOJDCDLFXPQ-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CN(C)C[C@H](O)c1ccc(C[NH3+])cc1 37050240 572082212 /nfs/dbraw/zinc/08/22/12/572082212.db2.gz JTFRXJZDSUWYSL-NSHDSACASA-N 1 3 194.278 0.740 10 0 ACAEHO CC(C)N1CCN(C[C@H](C)C[NH3+])CC1 37049020 572082514 /nfs/dbraw/zinc/08/25/14/572082514.db2.gz QPJMOJDCDLFXPQ-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H](CNC[C@H]1CCC[NH2+]1)N(C)C 235115434 572082608 /nfs/dbraw/zinc/08/26/08/572082608.db2.gz UXRMVRYCPCSKIP-VHSXEESVSA-N 1 3 185.315 0.278 10 0 ACAEHO CC[N@H+](C[C@H](O)CNC)C1CC1 37079801 572082726 /nfs/dbraw/zinc/08/27/26/572082726.db2.gz QNZCNGRJVHSVCS-SECBINFHSA-N 1 3 172.272 0.051 10 0 ACAEHO CC[N@@H+](C[C@H](O)CNC)C1CC1 37079801 572082727 /nfs/dbraw/zinc/08/27/27/572082727.db2.gz QNZCNGRJVHSVCS-SECBINFHSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@]1(N)CCCC[C@@]1(C)[NH3+] 34477156 572082728 /nfs/dbraw/zinc/08/27/28/572082728.db2.gz VEKWVLWWZITZTK-HTQZYQBOSA-N 1 3 142.246 0.995 10 0 ACAEHO CC[N@H+](C[C@@H](O)CNC)C1CC1 37079802 572083211 /nfs/dbraw/zinc/08/32/11/572083211.db2.gz QNZCNGRJVHSVCS-VIFPVBQESA-N 1 3 172.272 0.051 10 0 ACAEHO CC[N@@H+](C[C@@H](O)CNC)C1CC1 37079802 572083215 /nfs/dbraw/zinc/08/32/15/572083215.db2.gz QNZCNGRJVHSVCS-VIFPVBQESA-N 1 3 172.272 0.051 10 0 ACAEHO CC[N@H+](C)C[C@H](O)CNC1CC1 37078588 572083754 /nfs/dbraw/zinc/08/37/54/572083754.db2.gz CZDZIHJFIQXBQC-SECBINFHSA-N 1 3 172.272 0.051 10 0 ACAEHO CC[N@@H+](C)C[C@H](O)CNC1CC1 37078588 572083756 /nfs/dbraw/zinc/08/37/56/572083756.db2.gz CZDZIHJFIQXBQC-SECBINFHSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@]1([NH3+])CCCC[C@@]1(C)N 34477155 572083801 /nfs/dbraw/zinc/08/38/01/572083801.db2.gz VEKWVLWWZITZTK-OCAPTIKFSA-N 1 3 142.246 0.995 10 0 ACAEHO C[C@]1(N)CCCC[C@@]1(C)[NH3+] 34477155 572083804 /nfs/dbraw/zinc/08/38/04/572083804.db2.gz VEKWVLWWZITZTK-OCAPTIKFSA-N 1 3 142.246 0.995 10 0 ACAEHO CC[N@H+](C)C[C@@H](O)CNC1CC1 37078589 572083824 /nfs/dbraw/zinc/08/38/24/572083824.db2.gz CZDZIHJFIQXBQC-VIFPVBQESA-N 1 3 172.272 0.051 10 0 ACAEHO CC[N@@H+](C)C[C@@H](O)CNC1CC1 37078589 572083826 /nfs/dbraw/zinc/08/38/26/572083826.db2.gz CZDZIHJFIQXBQC-VIFPVBQESA-N 1 3 172.272 0.051 10 0 ACAEHO CC[NH2+]C[C@H](O)[C@@H]1C[C@H](C)CCN1 84992533 572084198 /nfs/dbraw/zinc/08/41/98/572084198.db2.gz PLSSUJNBBMJUQA-UTLUCORTSA-N 1 3 186.299 0.345 10 0 ACAEHO CCNC[C@H](O)[C@@H]1C[C@H](C)CC[NH2+]1 84992533 572084200 /nfs/dbraw/zinc/08/42/00/572084200.db2.gz PLSSUJNBBMJUQA-UTLUCORTSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@]1(N)CCCC[C@]1(C)[NH3+] 34477157 572084205 /nfs/dbraw/zinc/08/42/05/572084205.db2.gz VEKWVLWWZITZTK-YUMQZZPRSA-N 1 3 142.246 0.995 10 0 ACAEHO CC[NH2+]C[C@@H](O)[C@@H]1CCCCCN1 84992703 572084460 /nfs/dbraw/zinc/08/44/60/572084460.db2.gz RZHZSXXVHNCSBD-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CCNC[C@@H](O)[C@@H]1CCCCC[NH2+]1 84992703 572084457 /nfs/dbraw/zinc/08/44/57/572084457.db2.gz RZHZSXXVHNCSBD-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CN(C[C@@H](O)C[NH3+])C1CCCC1 37084272 572084484 /nfs/dbraw/zinc/08/44/84/572084484.db2.gz CTOWEKNYJJYMBG-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CCNC[C@H](O)[C@@H]1CCCCC[NH2+]1 84992701 572084772 /nfs/dbraw/zinc/08/47/72/572084772.db2.gz RZHZSXXVHNCSBD-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[NH2+]C[C@H](O)[C@@H]1CCCCCN1 84992701 572084774 /nfs/dbraw/zinc/08/47/74/572084774.db2.gz RZHZSXXVHNCSBD-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCNC[C@H](O)[C@H]1CCCCC[NH2+]1 84992705 572084857 /nfs/dbraw/zinc/08/48/57/572084857.db2.gz RZHZSXXVHNCSBD-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[NH2+]C[C@H](O)[C@H]1CCCCCN1 84992705 572084859 /nfs/dbraw/zinc/08/48/59/572084859.db2.gz RZHZSXXVHNCSBD-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CCN(C[C@H](O)C[NH3+])C(C)C 37082051 572085033 /nfs/dbraw/zinc/08/50/33/572085033.db2.gz BKXNOTTVLXUDFZ-MRVPVSSYSA-N 1 3 160.261 0.036 10 0 ACAEHO CCNC[C@@H](O)[C@H]1CCCCC[NH2+]1 84992707 572085457 /nfs/dbraw/zinc/08/54/57/572085457.db2.gz RZHZSXXVHNCSBD-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[NH2+]C[C@@H](O)[C@H]1CCCCCN1 84992707 572085461 /nfs/dbraw/zinc/08/54/61/572085461.db2.gz RZHZSXXVHNCSBD-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)C1CCCC1 37084270 572085675 /nfs/dbraw/zinc/08/56/75/572085675.db2.gz GRGCFBZLHAPVBD-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]C[C@H](O)CN(C)C1CCCC1 37084269 572085879 /nfs/dbraw/zinc/08/58/79/572085879.db2.gz GRGCFBZLHAPVBD-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@H+](C[C@H](O)CNC1CC1)C1CC1 37080890 572086491 /nfs/dbraw/zinc/08/64/91/572086491.db2.gz PCJRIJFLHJUNSA-SNVBAGLBSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@@H+](C[C@H](O)CNC1CC1)C1CC1 37080890 572086492 /nfs/dbraw/zinc/08/64/92/572086492.db2.gz PCJRIJFLHJUNSA-SNVBAGLBSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@H+](C[C@@H](O)CNC1CC1)C1CC1 37080891 572086848 /nfs/dbraw/zinc/08/68/48/572086848.db2.gz PCJRIJFLHJUNSA-JTQLQIEISA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@@H+](C[C@@H](O)CNC1CC1)C1CC1 37080891 572086850 /nfs/dbraw/zinc/08/68/50/572086850.db2.gz PCJRIJFLHJUNSA-JTQLQIEISA-N 1 3 184.283 0.194 10 0 ACAEHO CCC[NH2+]C[C@@H](O)[C@H](C)NCC 84993315 572093566 /nfs/dbraw/zinc/09/35/66/572093566.db2.gz YQYPFQWYCSUYAO-DTWKUNHWSA-N 1 3 174.288 0.345 10 0 ACAEHO CCNC[C@H](O)C[N@H+](CC)C(C)C 37082047 572087328 /nfs/dbraw/zinc/08/73/28/572087328.db2.gz USFUSOBTBWXWMA-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CCNC[C@H](O)C[N@@H+](CC)C(C)C 37082047 572087330 /nfs/dbraw/zinc/08/73/30/572087330.db2.gz USFUSOBTBWXWMA-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CC[NH2+]C[C@H](O)CN(CC)C(C)C 37082047 572087331 /nfs/dbraw/zinc/08/73/31/572087331.db2.gz USFUSOBTBWXWMA-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CCNC[C@@H](O)C[N@H+](CC)C(C)C 37082048 572087454 /nfs/dbraw/zinc/08/74/54/572087454.db2.gz USFUSOBTBWXWMA-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+](CC)C(C)C 37082048 572087456 /nfs/dbraw/zinc/08/74/56/572087456.db2.gz USFUSOBTBWXWMA-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[NH2+]C[C@@H](O)CN(CC)C(C)C 37082048 572087459 /nfs/dbraw/zinc/08/74/59/572087459.db2.gz USFUSOBTBWXWMA-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CN[C@@H]1C=CC[C@H]2C[NH2+]C[C@@H]21 34516252 572087962 /nfs/dbraw/zinc/08/79/62/572087962.db2.gz NRKAHECMMVDYGU-XHNCKOQMSA-N 1 3 152.241 0.370 10 0 ACAEHO CN(C[C@H](O)C[NH3+])C1CCCC1 37084271 572087985 /nfs/dbraw/zinc/08/79/85/572087985.db2.gz CTOWEKNYJJYMBG-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO N[C@H]1CCCO[C@]12CCC[NH2+]C2 34514770 572088558 /nfs/dbraw/zinc/08/85/58/572088558.db2.gz QSIOXBLTLWMPHL-IUCAKERBSA-N 1 3 170.256 0.246 10 0 ACAEHO [NH3+][C@H]1CCCO[C@]12CCCNC2 34514770 572088556 /nfs/dbraw/zinc/08/85/56/572088556.db2.gz QSIOXBLTLWMPHL-IUCAKERBSA-N 1 3 170.256 0.246 10 0 ACAEHO [NH3+][C@@H]1CCCO[C@]12CCCNC2 34514771 572088759 /nfs/dbraw/zinc/08/87/59/572088759.db2.gz QSIOXBLTLWMPHL-BDAKNGLRSA-N 1 3 170.256 0.246 10 0 ACAEHO N[C@@H]1CCCO[C@]12CCC[NH2+]C2 34514771 572088764 /nfs/dbraw/zinc/08/87/64/572088764.db2.gz QSIOXBLTLWMPHL-BDAKNGLRSA-N 1 3 170.256 0.246 10 0 ACAEHO CCC[N@H+](C[C@@H](O)CNC)C1CC1 37097111 572088835 /nfs/dbraw/zinc/08/88/35/572088835.db2.gz YHGPNVRXQDBFEL-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CCC[N@@H+](C[C@@H](O)CNC)C1CC1 37097111 572088837 /nfs/dbraw/zinc/08/88/37/572088837.db2.gz YHGPNVRXQDBFEL-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]CC1CC(OCCN(C)C)C1 84985344 572088953 /nfs/dbraw/zinc/08/89/53/572088953.db2.gz DIRHKGCYYAHFQP-UHFFFAOYSA-N 1 3 186.299 0.563 10 0 ACAEHO CN[C@@H]1C=CC[C@@H]2C[NH2+]C[C@@H]21 34516254 572088960 /nfs/dbraw/zinc/08/89/60/572088960.db2.gz NRKAHECMMVDYGU-HRDYMLBCSA-N 1 3 152.241 0.370 10 0 ACAEHO CCCN(C[C@@H](O)C[NH2+]C)C(C)C 37095975 572089191 /nfs/dbraw/zinc/08/91/91/572089191.db2.gz WGZISXMNOAGTNA-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CCC[N@H+](CC)C[C@H](O)CNCC 37094858 572089316 /nfs/dbraw/zinc/08/93/16/572089316.db2.gz OGUXTFJIBIAOEF-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@@H+](CC)C[C@H](O)CNCC 37094858 572089319 /nfs/dbraw/zinc/08/93/19/572089319.db2.gz OGUXTFJIBIAOEF-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCCN(CC)C[C@H](O)C[NH2+]CC 37094858 572089322 /nfs/dbraw/zinc/08/93/22/572089322.db2.gz OGUXTFJIBIAOEF-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCCN(CC)C[C@H](O)C[NH3+] 37094862 572089929 /nfs/dbraw/zinc/08/99/29/572089929.db2.gz QJAITBZJQJKXOH-MRVPVSSYSA-N 1 3 160.261 0.038 10 0 ACAEHO CCC[N@H+](C[C@H](O)CN)C1CC1 37097112 572090278 /nfs/dbraw/zinc/09/02/78/572090278.db2.gz KXTQQAIAPJJUDE-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CCC[N@@H+](C[C@H](O)CN)C1CC1 37097112 572090280 /nfs/dbraw/zinc/09/02/80/572090280.db2.gz KXTQQAIAPJJUDE-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CCCN(C[C@H](O)C[NH3+])C1CC1 37097112 572090281 /nfs/dbraw/zinc/09/02/81/572090281.db2.gz KXTQQAIAPJJUDE-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CCC[N@H+](C[C@@H](O)CN)C1CC1 37097113 572090381 /nfs/dbraw/zinc/09/03/81/572090381.db2.gz KXTQQAIAPJJUDE-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CCC[N@@H+](C[C@@H](O)CN)C1CC1 37097113 572090382 /nfs/dbraw/zinc/09/03/82/572090382.db2.gz KXTQQAIAPJJUDE-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CCCN(C[C@@H](O)C[NH3+])C1CC1 37097113 572090384 /nfs/dbraw/zinc/09/03/84/572090384.db2.gz KXTQQAIAPJJUDE-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H]1CC[NH2+][C@H]([C@H](O)CNC)C1 84991923 572090426 /nfs/dbraw/zinc/09/04/26/572090426.db2.gz WHZIYZZFKDALGF-KXUCPTDWSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H]1CCN[C@H]([C@H](O)C[NH2+]C)C1 84991923 572090428 /nfs/dbraw/zinc/09/04/28/572090428.db2.gz WHZIYZZFKDALGF-KXUCPTDWSA-N 1 3 186.299 0.345 10 0 ACAEHO CCNC[C@H](O)[C@H]1CCCC[NH2+]1 84992427 572092104 /nfs/dbraw/zinc/09/21/04/572092104.db2.gz CSJHLFFJPGUDKL-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[NH2+]C[C@@H](O)[C@H]1CCCCN1 84992429 572090723 /nfs/dbraw/zinc/09/07/23/572090723.db2.gz CSJHLFFJPGUDKL-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CCNC[C@@H](O)[C@H]1CCCC[NH2+]1 84992429 572090727 /nfs/dbraw/zinc/09/07/27/572090727.db2.gz CSJHLFFJPGUDKL-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[NH2+]C[C@@H](O)[C@@H]1CCCCN1 84992425 572090766 /nfs/dbraw/zinc/09/07/66/572090766.db2.gz CSJHLFFJPGUDKL-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CCNC[C@@H](O)[C@@H]1CCCC[NH2+]1 84992425 572090769 /nfs/dbraw/zinc/09/07/69/572090769.db2.gz CSJHLFFJPGUDKL-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CCC[N@H+](C[C@H](O)CNC)C1CC1 37097110 572091006 /nfs/dbraw/zinc/09/10/06/572091006.db2.gz YHGPNVRXQDBFEL-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CCC[N@@H+](C[C@H](O)CNC)C1CC1 37097110 572091008 /nfs/dbraw/zinc/09/10/08/572091008.db2.gz YHGPNVRXQDBFEL-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CCC[NH2+]C[C@H](O)[C@H]1CCCCN1 84992986 572091048 /nfs/dbraw/zinc/09/10/48/572091048.db2.gz YVGYHKSFPRYMGR-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CCCNC[C@H](O)[C@H]1CCCC[NH2+]1 84992986 572091051 /nfs/dbraw/zinc/09/10/51/572091051.db2.gz YVGYHKSFPRYMGR-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[NH2+]C[C@@H](O)[C@H]1CCCCN1 84992989 572091199 /nfs/dbraw/zinc/09/11/99/572091199.db2.gz YVGYHKSFPRYMGR-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCCNC[C@@H](O)[C@H]1CCCC[NH2+]1 84992989 572091204 /nfs/dbraw/zinc/09/12/04/572091204.db2.gz YVGYHKSFPRYMGR-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[NH2+]C[C@H](O)[C@@H]1CCCCN1 84992423 572091277 /nfs/dbraw/zinc/09/12/77/572091277.db2.gz CSJHLFFJPGUDKL-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO CCNC[C@H](O)[C@@H]1CCCC[NH2+]1 84992423 572091280 /nfs/dbraw/zinc/09/12/80/572091280.db2.gz CSJHLFFJPGUDKL-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO CCC[N@H+](CC)C[C@@H](O)CNCC 37094859 572091343 /nfs/dbraw/zinc/09/13/43/572091343.db2.gz OGUXTFJIBIAOEF-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@@H+](CC)C[C@@H](O)CNCC 37094859 572091346 /nfs/dbraw/zinc/09/13/46/572091346.db2.gz OGUXTFJIBIAOEF-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCCN(CC)C[C@@H](O)C[NH2+]CC 37094859 572091348 /nfs/dbraw/zinc/09/13/48/572091348.db2.gz OGUXTFJIBIAOEF-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[NH2+]C[C@H](O)[C@@H]1CCCCN1 84992983 572091504 /nfs/dbraw/zinc/09/15/04/572091504.db2.gz YVGYHKSFPRYMGR-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCCNC[C@H](O)[C@@H]1CCCC[NH2+]1 84992983 572091506 /nfs/dbraw/zinc/09/15/06/572091506.db2.gz YVGYHKSFPRYMGR-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[N@H+](CC)C[C@@H](O)CNC 37094861 572091547 /nfs/dbraw/zinc/09/15/47/572091547.db2.gz NFIGCLBHTPLCIF-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO CCC[N@@H+](CC)C[C@@H](O)CNC 37094861 572091549 /nfs/dbraw/zinc/09/15/49/572091549.db2.gz NFIGCLBHTPLCIF-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO CCCN(CC)C[C@@H](O)C[NH2+]C 37094861 572091551 /nfs/dbraw/zinc/09/15/51/572091551.db2.gz NFIGCLBHTPLCIF-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO CC[C@@H]1CC[NH2+][C@@H]([C@H](O)CNC)C1 84991926 572091663 /nfs/dbraw/zinc/09/16/63/572091663.db2.gz WHZIYZZFKDALGF-OPRDCNLKSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H]1CCN[C@@H]([C@H](O)C[NH2+]C)C1 84991926 572091669 /nfs/dbraw/zinc/09/16/69/572091669.db2.gz WHZIYZZFKDALGF-OPRDCNLKSA-N 1 3 186.299 0.345 10 0 ACAEHO CCCN(CC)C[C@@H](O)C[NH3+] 37094863 572091808 /nfs/dbraw/zinc/09/18/08/572091808.db2.gz QJAITBZJQJKXOH-QMMMGPOBSA-N 1 3 160.261 0.038 10 0 ACAEHO CCC[NH2+]C[C@@H](O)[C@@H]1CCCCN1 84992985 572091871 /nfs/dbraw/zinc/09/18/71/572091871.db2.gz YVGYHKSFPRYMGR-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CCCNC[C@@H](O)[C@@H]1CCCC[NH2+]1 84992985 572091873 /nfs/dbraw/zinc/09/18/73/572091873.db2.gz YVGYHKSFPRYMGR-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@@H](C[NH3+])OCCN(C)C1CC1 235125851 572092012 /nfs/dbraw/zinc/09/20/12/572092012.db2.gz OHUNGOPCFRHUCT-QMMMGPOBSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[NH2+]C[C@H](O)[C@H]1CCCCN1 84992427 572092098 /nfs/dbraw/zinc/09/20/98/572092098.db2.gz CSJHLFFJPGUDKL-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CCN[C@@H](C)[C@@H](O)C[NH2+]C1CC1 84994318 572092835 /nfs/dbraw/zinc/09/28/35/572092835.db2.gz DPUXNDKXCIWXNS-CBAPKCEASA-N 1 3 172.272 0.097 10 0 ACAEHO C[C@@H](C[NH3+])NCC1(CCO)CC1 235127104 572092842 /nfs/dbraw/zinc/09/28/42/572092842.db2.gz QWOXQMAOGOEMRO-QMMMGPOBSA-N 1 3 172.272 0.086 10 0 ACAEHO CC(C)[NH2+]C[C@@H](O)[C@H]1CCCCN1 84993511 572092845 /nfs/dbraw/zinc/09/28/45/572092845.db2.gz KZLNCJYPUZVJPT-NXEZZACHSA-N 1 3 186.299 0.487 10 0 ACAEHO CC(C)NC[C@@H](O)[C@H]1CCCC[NH2+]1 84993511 572092848 /nfs/dbraw/zinc/09/28/48/572092848.db2.gz KZLNCJYPUZVJPT-NXEZZACHSA-N 1 3 186.299 0.487 10 0 ACAEHO CCN[C@@H](C)[C@@H](O)C[NH2+]C(C)(C)C 84994702 572092891 /nfs/dbraw/zinc/09/28/91/572092891.db2.gz RKUINUWDAPSJPS-IUCAKERBSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@@H](C)[C@@H](O)CNC(C)(C)C 84994702 572092893 /nfs/dbraw/zinc/09/28/93/572092893.db2.gz RKUINUWDAPSJPS-IUCAKERBSA-N 1 3 188.315 0.733 10 0 ACAEHO CC(C)NC[C@H](O)[C@@H]1CCC[NH2+]1 84993778 572092963 /nfs/dbraw/zinc/09/29/63/572092963.db2.gz IOJRBXATVIGBTN-IUCAKERBSA-N 1 3 172.272 0.097 10 0 ACAEHO Cc1cn([C@@H](C)C[NH+](C)C)c(N)n1 235127304 572093014 /nfs/dbraw/zinc/09/30/14/572093014.db2.gz WUPRAHSFMQZVMD-QMMMGPOBSA-N 1 3 182.271 0.896 10 0 ACAEHO CCN[C@@H](C)[C@H](O)C[NH2+]C(C)(C)C 84994698 572093059 /nfs/dbraw/zinc/09/30/59/572093059.db2.gz RKUINUWDAPSJPS-DTWKUNHWSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@@H](C)[C@H](O)CNC(C)(C)C 84994698 572093062 /nfs/dbraw/zinc/09/30/62/572093062.db2.gz RKUINUWDAPSJPS-DTWKUNHWSA-N 1 3 188.315 0.733 10 0 ACAEHO CCCNC[C@H](O)[C@H]1CCC[NH2+]1 84993226 572093105 /nfs/dbraw/zinc/09/31/05/572093105.db2.gz MWNZGIDJBSHNNJ-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CC(C)CNC[C@H](O)[C@@H]1CCC[NH2+]1 84995044 572094594 /nfs/dbraw/zinc/09/45/94/572094594.db2.gz XDZRVOWAFYKZDV-UWVGGRQHSA-N 1 3 186.299 0.345 10 0 ACAEHO CCN[C@H](C)[C@H](O)C[NH2+]C1CC1 84994316 572093122 /nfs/dbraw/zinc/09/31/22/572093122.db2.gz DPUXNDKXCIWXNS-VXNVDRBHSA-N 1 3 172.272 0.097 10 0 ACAEHO CC(C)CNC[C@H](O)[C@H]1CCC[NH2+]1 84995047 572093130 /nfs/dbraw/zinc/09/31/30/572093130.db2.gz XDZRVOWAFYKZDV-ZJUUUORDSA-N 1 3 186.299 0.345 10 0 ACAEHO CCCNC[C@@H](O)[C@H]1CCC[NH2+]1 84993228 572093157 /nfs/dbraw/zinc/09/31/57/572093157.db2.gz MWNZGIDJBSHNNJ-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CC(C)(C)NC[C@@H](O)[C@@H]1CCC[NH2+]1 84994651 572093214 /nfs/dbraw/zinc/09/32/14/572093214.db2.gz IIBZWXLPKCHNOA-DTWKUNHWSA-N 1 3 186.299 0.487 10 0 ACAEHO CC(C)NC[C@@H](O)[C@@H]1CCC[NH2+]1 84993781 572093246 /nfs/dbraw/zinc/09/32/46/572093246.db2.gz IOJRBXATVIGBTN-DTWKUNHWSA-N 1 3 172.272 0.097 10 0 ACAEHO O[C@H](C[NH2+]C1CC1)[C@H]1CCCCN1 84994081 572093260 /nfs/dbraw/zinc/09/32/60/572093260.db2.gz CNZGJBRKUDVKGK-NXEZZACHSA-N 1 3 184.283 0.241 10 0 ACAEHO CC(C)CNC[C@@H](O)[C@@H]1CCC[NH2+]1 84995046 572093350 /nfs/dbraw/zinc/09/33/50/572093350.db2.gz XDZRVOWAFYKZDV-VHSXEESVSA-N 1 3 186.299 0.345 10 0 ACAEHO CCN[C@@H](C)[C@H](O)C[NH2+]C(C)C 84993868 572094876 /nfs/dbraw/zinc/09/48/76/572094876.db2.gz WOVLZUOTPLKERI-DTWKUNHWSA-N 1 3 174.288 0.343 10 0 ACAEHO CCCNC[C@H](O)[C@@H]1CCC[NH2+]1 84993222 572093519 /nfs/dbraw/zinc/09/35/19/572093519.db2.gz MWNZGIDJBSHNNJ-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO CCN[C@H](C)[C@@H](O)C[NH2+]C(C)(C)C 84994706 572093557 /nfs/dbraw/zinc/09/35/57/572093557.db2.gz RKUINUWDAPSJPS-BDAKNGLRSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@H](C)[C@@H](O)CNC(C)(C)C 84994706 572093558 /nfs/dbraw/zinc/09/35/58/572093558.db2.gz RKUINUWDAPSJPS-BDAKNGLRSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@@H](C)[C@H](O)CNC(C)C 84993868 572094879 /nfs/dbraw/zinc/09/48/79/572094879.db2.gz WOVLZUOTPLKERI-DTWKUNHWSA-N 1 3 174.288 0.343 10 0 ACAEHO CCCNC[C@@H](O)[C@H](C)[NH2+]CC 84993315 572093569 /nfs/dbraw/zinc/09/35/69/572093569.db2.gz YQYPFQWYCSUYAO-DTWKUNHWSA-N 1 3 174.288 0.345 10 0 ACAEHO CCN[C@@H](C)[C@@H](O)C[NH2+]C(C)C 84993873 572093580 /nfs/dbraw/zinc/09/35/80/572093580.db2.gz WOVLZUOTPLKERI-IUCAKERBSA-N 1 3 174.288 0.343 10 0 ACAEHO CC[NH2+][C@@H](C)[C@@H](O)CNC(C)C 84993873 572093584 /nfs/dbraw/zinc/09/35/84/572093584.db2.gz WOVLZUOTPLKERI-IUCAKERBSA-N 1 3 174.288 0.343 10 0 ACAEHO C[NH2+]CC[C@](C)(O)c1cnccc1N 84997609 572093621 /nfs/dbraw/zinc/09/36/21/572093621.db2.gz DIQKDXYNBQJCIH-JTQLQIEISA-N 1 3 195.266 0.481 10 0 ACAEHO O[C@@H](C[NH2+]C1CC1)[C@H]1CCCCN1 84994086 572093676 /nfs/dbraw/zinc/09/36/76/572093676.db2.gz CNZGJBRKUDVKGK-ZJUUUORDSA-N 1 3 184.283 0.241 10 0 ACAEHO CC(C)[NH2+]C[C@@H](O)[C@@H]1CCCCN1 84993505 572093762 /nfs/dbraw/zinc/09/37/62/572093762.db2.gz KZLNCJYPUZVJPT-VHSXEESVSA-N 1 3 186.299 0.487 10 0 ACAEHO CC(C)NC[C@@H](O)[C@@H]1CCCC[NH2+]1 84993505 572093763 /nfs/dbraw/zinc/09/37/63/572093763.db2.gz KZLNCJYPUZVJPT-VHSXEESVSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](CN)[NH2+]CC1(N(C)C)CCC1 235127299 572093772 /nfs/dbraw/zinc/09/37/72/572093772.db2.gz MCTGDXNXBASWMX-VIFPVBQESA-N 1 3 185.315 0.408 10 0 ACAEHO CCN[C@@H](C)[C@@H](O)C[NH2+]CC(C)C 84995098 572093795 /nfs/dbraw/zinc/09/37/95/572093795.db2.gz RZBLLBJRMQQZCZ-UWVGGRQHSA-N 1 3 188.315 0.591 10 0 ACAEHO CC[NH2+][C@@H](C)[C@@H](O)CNCC(C)C 84995098 572093798 /nfs/dbraw/zinc/09/37/98/572093798.db2.gz RZBLLBJRMQQZCZ-UWVGGRQHSA-N 1 3 188.315 0.591 10 0 ACAEHO CCN[C@@H](C)[C@H](O)C[NH2+]C1CC1 84994314 572093838 /nfs/dbraw/zinc/09/38/38/572093838.db2.gz DPUXNDKXCIWXNS-IONNQARKSA-N 1 3 172.272 0.097 10 0 ACAEHO O[C@H](C[NH2+]C1CC1)[C@@H]1CCCCN1 84994079 572093890 /nfs/dbraw/zinc/09/38/90/572093890.db2.gz CNZGJBRKUDVKGK-VHSXEESVSA-N 1 3 184.283 0.241 10 0 ACAEHO CCN[C@H](C)[C@H](O)C[NH2+]CC(C)C 84995097 572094073 /nfs/dbraw/zinc/09/40/73/572094073.db2.gz RZBLLBJRMQQZCZ-NXEZZACHSA-N 1 3 188.315 0.591 10 0 ACAEHO CC[NH2+][C@H](C)[C@H](O)CNCC(C)C 84995097 572094077 /nfs/dbraw/zinc/09/40/77/572094077.db2.gz RZBLLBJRMQQZCZ-NXEZZACHSA-N 1 3 188.315 0.591 10 0 ACAEHO CCN[C@H](C)[C@@H](O)C[NH2+]CC(C)C 84995100 572094084 /nfs/dbraw/zinc/09/40/84/572094084.db2.gz RZBLLBJRMQQZCZ-ZJUUUORDSA-N 1 3 188.315 0.591 10 0 ACAEHO CC[NH2+][C@H](C)[C@@H](O)CNCC(C)C 84995100 572094088 /nfs/dbraw/zinc/09/40/88/572094088.db2.gz RZBLLBJRMQQZCZ-ZJUUUORDSA-N 1 3 188.315 0.591 10 0 ACAEHO CC(C)NC[C@@H](O)[C@H]1CCC[NH2+]1 84993787 572094103 /nfs/dbraw/zinc/09/41/03/572094103.db2.gz IOJRBXATVIGBTN-RKDXNWHRSA-N 1 3 172.272 0.097 10 0 ACAEHO CC(C)CNC[C@@H](O)[C@H]1CCC[NH2+]1 84995049 572094130 /nfs/dbraw/zinc/09/41/30/572094130.db2.gz XDZRVOWAFYKZDV-NXEZZACHSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CN)[NH2+]CC(C)(C)N(C)C 235126373 572094136 /nfs/dbraw/zinc/09/41/36/572094136.db2.gz NNDIUCWDQPDSMT-QMMMGPOBSA-N 1 3 173.304 0.263 10 0 ACAEHO C[C@@H](C[NH+](C)C)n1ccnc1N 235127609 572094142 /nfs/dbraw/zinc/09/41/42/572094142.db2.gz UGHCDYIMTKFZFX-ZETCQYMHSA-N 1 3 168.244 0.588 10 0 ACAEHO C[C@@H](CN(C)C)n1cc[nH+]c1N 235127609 572094143 /nfs/dbraw/zinc/09/41/43/572094143.db2.gz UGHCDYIMTKFZFX-ZETCQYMHSA-N 1 3 168.244 0.588 10 0 ACAEHO CCN[C@H](C)[C@@H](O)C[NH2+]C(C)C 84993875 572094183 /nfs/dbraw/zinc/09/41/83/572094183.db2.gz WOVLZUOTPLKERI-BDAKNGLRSA-N 1 3 174.288 0.343 10 0 ACAEHO CC[NH2+][C@H](C)[C@@H](O)CNC(C)C 84993875 572094185 /nfs/dbraw/zinc/09/41/85/572094185.db2.gz WOVLZUOTPLKERI-BDAKNGLRSA-N 1 3 174.288 0.343 10 0 ACAEHO CC(C)NC[C@H](O)[C@H]1CCC[NH2+]1 84993784 572094213 /nfs/dbraw/zinc/09/42/13/572094213.db2.gz IOJRBXATVIGBTN-BDAKNGLRSA-N 1 3 172.272 0.097 10 0 ACAEHO CCC[NH2+]C[C@H](O)[C@@H](C)NCC 84993309 572094307 /nfs/dbraw/zinc/09/43/07/572094307.db2.gz YQYPFQWYCSUYAO-BDAKNGLRSA-N 1 3 174.288 0.345 10 0 ACAEHO CCCNC[C@H](O)[C@@H](C)[NH2+]CC 84993309 572094309 /nfs/dbraw/zinc/09/43/09/572094309.db2.gz YQYPFQWYCSUYAO-BDAKNGLRSA-N 1 3 174.288 0.345 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@H](O)C[NH2+]C2CC2)C1 84994163 572094399 /nfs/dbraw/zinc/09/43/99/572094399.db2.gz JXUXLIJEKRAXCJ-FBIMIBRVSA-N 1 3 198.310 0.487 10 0 ACAEHO CCN[C@@H](C)[C@H](O)C[NH2+]CC(C)C 84995094 572094438 /nfs/dbraw/zinc/09/44/38/572094438.db2.gz RZBLLBJRMQQZCZ-VHSXEESVSA-N 1 3 188.315 0.591 10 0 ACAEHO CC[NH2+][C@@H](C)[C@H](O)CNCC(C)C 84995094 572094439 /nfs/dbraw/zinc/09/44/39/572094439.db2.gz RZBLLBJRMQQZCZ-VHSXEESVSA-N 1 3 188.315 0.591 10 0 ACAEHO C[C@@H](C[NH3+])NCC1(CO)CCCC1 235127204 572094498 /nfs/dbraw/zinc/09/44/98/572094498.db2.gz HWWGWJSTJUCQCX-VIFPVBQESA-N 1 3 186.299 0.476 10 0 ACAEHO CC(C)(C)NC[C@H](O)[C@H]1CCC[NH2+]1 84994653 572094522 /nfs/dbraw/zinc/09/45/22/572094522.db2.gz IIBZWXLPKCHNOA-BDAKNGLRSA-N 1 3 186.299 0.487 10 0 ACAEHO CCN[C@H](C)[C@H](O)C[NH2+]C(C)(C)C 84994700 572094528 /nfs/dbraw/zinc/09/45/28/572094528.db2.gz RKUINUWDAPSJPS-RKDXNWHRSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@H](C)[C@H](O)CNC(C)(C)C 84994700 572094530 /nfs/dbraw/zinc/09/45/30/572094530.db2.gz RKUINUWDAPSJPS-RKDXNWHRSA-N 1 3 188.315 0.733 10 0 ACAEHO O[C@@H](C[NH2+]C1CC1)[C@@H]1CCCCN1 84994084 572094581 /nfs/dbraw/zinc/09/45/81/572094581.db2.gz CNZGJBRKUDVKGK-UWVGGRQHSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@H](O)C[NH2+]C2CC2)C1 84994159 572094614 /nfs/dbraw/zinc/09/46/14/572094614.db2.gz JXUXLIJEKRAXCJ-DVVUODLYSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H](CN)[NH2+]C1CCN(C2CC2)CC1 235125558 572094627 /nfs/dbraw/zinc/09/46/27/572094627.db2.gz BHGMRUYABOMQRF-VIFPVBQESA-N 1 3 197.326 0.550 10 0 ACAEHO CCC[NH2+]C[C@@H](O)[C@@H](C)NCC 84993311 572094647 /nfs/dbraw/zinc/09/46/47/572094647.db2.gz YQYPFQWYCSUYAO-RKDXNWHRSA-N 1 3 174.288 0.345 10 0 ACAEHO CCCNC[C@@H](O)[C@@H](C)[NH2+]CC 84993311 572094648 /nfs/dbraw/zinc/09/46/48/572094648.db2.gz YQYPFQWYCSUYAO-RKDXNWHRSA-N 1 3 174.288 0.345 10 0 ACAEHO CC(C)(C)NC[C@@H](O)[C@H]1CCC[NH2+]1 84994655 572094922 /nfs/dbraw/zinc/09/49/22/572094922.db2.gz IIBZWXLPKCHNOA-RKDXNWHRSA-N 1 3 186.299 0.487 10 0 ACAEHO CCN[C@H](C)[C@H](O)C[NH2+]C(C)C 84993870 572094734 /nfs/dbraw/zinc/09/47/34/572094734.db2.gz WOVLZUOTPLKERI-RKDXNWHRSA-N 1 3 174.288 0.343 10 0 ACAEHO CC[NH2+][C@H](C)[C@H](O)CNC(C)C 84993870 572094738 /nfs/dbraw/zinc/09/47/38/572094738.db2.gz WOVLZUOTPLKERI-RKDXNWHRSA-N 1 3 174.288 0.343 10 0 ACAEHO CCCN(C)C[C@@H](C)C(N)=[NH2+] 37098480 572094748 /nfs/dbraw/zinc/09/47/48/572094748.db2.gz HOXKYOQRUYHAED-SSDOTTSWSA-N 1 3 157.261 0.900 10 0 ACAEHO CC(C)[NH2+]C[C@H](O)[C@H]1CCCCN1 84993508 572094778 /nfs/dbraw/zinc/09/47/78/572094778.db2.gz KZLNCJYPUZVJPT-ZJUUUORDSA-N 1 3 186.299 0.487 10 0 ACAEHO CC(C)NC[C@H](O)[C@H]1CCCC[NH2+]1 84993508 572094786 /nfs/dbraw/zinc/09/47/86/572094786.db2.gz KZLNCJYPUZVJPT-ZJUUUORDSA-N 1 3 186.299 0.487 10 0 ACAEHO CC(C)[NH2+]C[C@H](O)[C@@H]1CCCCN1 84993503 572094927 /nfs/dbraw/zinc/09/49/27/572094927.db2.gz KZLNCJYPUZVJPT-UWVGGRQHSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](CN)[NH2+]CC1(N(C)C)CCCC1 235127347 572094811 /nfs/dbraw/zinc/09/48/11/572094811.db2.gz IWMGSMSBFVSILZ-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO CC(C)NC[C@H](O)[C@@H]1CCCC[NH2+]1 84993503 572094929 /nfs/dbraw/zinc/09/49/29/572094929.db2.gz KZLNCJYPUZVJPT-UWVGGRQHSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](C[NH3+])NCC1(O)CCCC1 235127549 572095188 /nfs/dbraw/zinc/09/51/88/572095188.db2.gz XVEZBQAEDYUXTR-QMMMGPOBSA-N 1 3 172.272 0.228 10 0 ACAEHO CCNC[C@@H](O)C[N@H+](C)[C@H](C)CC 37109938 572096391 /nfs/dbraw/zinc/09/63/91/572096391.db2.gz JBHXXOAWAKHHEW-NXEZZACHSA-N 1 3 188.315 0.687 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+](C)[C@H](C)CC 37109938 572096400 /nfs/dbraw/zinc/09/64/00/572096400.db2.gz JBHXXOAWAKHHEW-NXEZZACHSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[NH2+]C[C@@H](O)CN(C)[C@H](C)CC 37109938 572096403 /nfs/dbraw/zinc/09/64/03/572096403.db2.gz JBHXXOAWAKHHEW-NXEZZACHSA-N 1 3 188.315 0.687 10 0 ACAEHO Cc1n[nH]cc1CCCN[C@@H](C)C[NH3+] 235130147 572096636 /nfs/dbraw/zinc/09/66/36/572096636.db2.gz MLFDPDKOTKJFKQ-QMMMGPOBSA-N 1 3 196.298 0.588 10 0 ACAEHO CC[NH2+]C[C@@H](O)CN(C)[C@@H](C)CC 37109939 572097656 /nfs/dbraw/zinc/09/76/56/572097656.db2.gz JBHXXOAWAKHHEW-VHSXEESVSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[C@H](C)[N@H+](C)C[C@H](O)CNC 37109941 572097464 /nfs/dbraw/zinc/09/74/64/572097464.db2.gz BPMUVUKUCIINNC-DTWKUNHWSA-N 1 3 174.288 0.297 10 0 ACAEHO CC[C@H](C)[N@@H+](C)C[C@H](O)CNC 37109941 572097467 /nfs/dbraw/zinc/09/74/67/572097467.db2.gz BPMUVUKUCIINNC-DTWKUNHWSA-N 1 3 174.288 0.297 10 0 ACAEHO CC[C@H](C)N(C)C[C@H](O)C[NH2+]C 37109941 572097470 /nfs/dbraw/zinc/09/74/70/572097470.db2.gz BPMUVUKUCIINNC-DTWKUNHWSA-N 1 3 174.288 0.297 10 0 ACAEHO CCNC[C@@H](O)C[N@H+](C)[C@@H](C)CC 37109939 572097647 /nfs/dbraw/zinc/09/76/47/572097647.db2.gz JBHXXOAWAKHHEW-VHSXEESVSA-N 1 3 188.315 0.687 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+](C)[C@@H](C)CC 37109939 572097652 /nfs/dbraw/zinc/09/76/52/572097652.db2.gz JBHXXOAWAKHHEW-VHSXEESVSA-N 1 3 188.315 0.687 10 0 ACAEHO CCN(CC(C)C)C[C@@H](O)C[NH2+]C 37111341 572097954 /nfs/dbraw/zinc/09/79/54/572097954.db2.gz DCBFEFAOSFPLME-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO CC[C@@H](C)[N@H+](C)C[C@H](O)CNC 37109940 572098055 /nfs/dbraw/zinc/09/80/55/572098055.db2.gz BPMUVUKUCIINNC-RKDXNWHRSA-N 1 3 174.288 0.297 10 0 ACAEHO CC[C@@H](C)[N@@H+](C)C[C@H](O)CNC 37109940 572098060 /nfs/dbraw/zinc/09/80/60/572098060.db2.gz BPMUVUKUCIINNC-RKDXNWHRSA-N 1 3 174.288 0.297 10 0 ACAEHO CC[C@@H](C)N(C)C[C@H](O)C[NH2+]C 37109940 572098062 /nfs/dbraw/zinc/09/80/62/572098062.db2.gz BPMUVUKUCIINNC-RKDXNWHRSA-N 1 3 174.288 0.297 10 0 ACAEHO C[C@@H](CN)[NH2+]CCCc1ncc[nH]1 235130208 572098353 /nfs/dbraw/zinc/09/83/53/572098353.db2.gz JWEPOTPREABEBY-QMMMGPOBSA-N 1 3 182.271 0.279 10 0 ACAEHO C[C@@H](CO)[C@@H](C)NC1(C[NH3+])CC1 235130367 572098586 /nfs/dbraw/zinc/09/85/86/572098586.db2.gz MKCMNPILAAAOCY-JGVFFNPUSA-N 1 3 172.272 0.084 10 0 ACAEHO CC[C@H](C)N(CC)C[C@H](O)C[NH2+]C 37112868 572099037 /nfs/dbraw/zinc/09/90/37/572099037.db2.gz GUKWVDSYHFRITN-VHSXEESVSA-N 1 3 188.315 0.687 10 0 ACAEHO CCN(CC(C)C)C[C@H](O)C[NH2+]C 37111340 572099079 /nfs/dbraw/zinc/09/90/79/572099079.db2.gz DCBFEFAOSFPLME-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO C[C@@H]([NH3+])CC1(O)CCN(C)CC1 34616051 572099388 /nfs/dbraw/zinc/09/93/88/572099388.db2.gz DKKWLJUVJATCGR-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO CNC[C@@H](O)C[N@H+](C)CC(C)C 37108339 572099403 /nfs/dbraw/zinc/09/94/03/572099403.db2.gz AJAZAAACOKOCMC-SECBINFHSA-N 1 3 174.288 0.155 10 0 ACAEHO CNC[C@@H](O)C[N@@H+](C)CC(C)C 37108339 572099407 /nfs/dbraw/zinc/09/94/07/572099407.db2.gz AJAZAAACOKOCMC-SECBINFHSA-N 1 3 174.288 0.155 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)CC(C)C 37108339 572099410 /nfs/dbraw/zinc/09/94/10/572099410.db2.gz AJAZAAACOKOCMC-SECBINFHSA-N 1 3 174.288 0.155 10 0 ACAEHO CC[NH2+]C[C@@H](O)CN(C)CC(C)C 37108338 572099589 /nfs/dbraw/zinc/09/95/89/572099589.db2.gz AHFUANHZBBUOFK-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO CCNC[C@@H](O)C[N@H+](C)CC(C)C 37108338 572099590 /nfs/dbraw/zinc/09/95/90/572099590.db2.gz AHFUANHZBBUOFK-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+](C)CC(C)C 37108338 572099593 /nfs/dbraw/zinc/09/95/93/572099593.db2.gz AHFUANHZBBUOFK-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO C[C@@H](CN)[NH2+]CCN1CCCC1 235130719 572099891 /nfs/dbraw/zinc/09/98/91/572099891.db2.gz BGSSKTCIEFGJFY-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO C[NH2+]CC[C@@H]1CN(C(C)C)CCN1C 219811926 572099904 /nfs/dbraw/zinc/09/99/04/572099904.db2.gz XNYJALDCNKLZMV-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+]C[C@H](O)CN(C)CC(C)C 37108337 572100056 /nfs/dbraw/zinc/10/00/56/572100056.db2.gz AHFUANHZBBUOFK-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO CCNC[C@H](O)C[N@H+](C)CC(C)C 37108337 572100058 /nfs/dbraw/zinc/10/00/58/572100058.db2.gz AHFUANHZBBUOFK-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO CCNC[C@H](O)C[N@@H+](C)CC(C)C 37108337 572100060 /nfs/dbraw/zinc/10/00/60/572100060.db2.gz AHFUANHZBBUOFK-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO C[C@H]1CN(CCN(C)C)CC(C)(C)[NH2+]1 219809062 572100195 /nfs/dbraw/zinc/10/01/95/572100195.db2.gz GUAQVHURHDMBQH-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]([NH3+])CC1(O)CCN(C)CC1 34616050 572100231 /nfs/dbraw/zinc/10/02/31/572100231.db2.gz DKKWLJUVJATCGR-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](C)[N@@H+]1CCN(C)[C@H](CNC)C1 219807231 572100395 /nfs/dbraw/zinc/10/03/95/572100395.db2.gz LYPCOSAGKLTSDR-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](C)[N@H+]1CCN(C)[C@H](CNC)C1 219807231 572100399 /nfs/dbraw/zinc/10/03/99/572100399.db2.gz LYPCOSAGKLTSDR-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H](CN)[NH2+]CCN1CCCCC1 235130769 572100645 /nfs/dbraw/zinc/10/06/45/572100645.db2.gz MGGWGMOHDKUSGP-JTQLQIEISA-N 1 3 185.315 0.409 10 0 ACAEHO C[C@@H](C[NH3+])NCCN1CCCCC1 235130769 572100648 /nfs/dbraw/zinc/10/06/48/572100648.db2.gz MGGWGMOHDKUSGP-JTQLQIEISA-N 1 3 185.315 0.409 10 0 ACAEHO C[C@@H](CN)[NH2+]CCN1CCCCCC1 235130802 572101265 /nfs/dbraw/zinc/10/12/65/572101265.db2.gz RIYFUTCCDAZTHB-NSHDSACASA-N 1 3 199.342 0.799 10 0 ACAEHO CSC1(CN[C@@H](C)C[NH3+])CC1 235132182 572101073 /nfs/dbraw/zinc/10/10/73/572101073.db2.gz FKQBIKLVHUVZMN-ZETCQYMHSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H](CN)[NH2+]CCN(C)C1CC1 235130619 572101505 /nfs/dbraw/zinc/10/15/05/572101505.db2.gz IKVAQZMPFMSNDE-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@@H](C[NH3+])NCCN(C)C1CC1 235130619 572101509 /nfs/dbraw/zinc/10/15/09/572101509.db2.gz IKVAQZMPFMSNDE-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@@H](C[NH3+])NC[C@H](C)n1cccn1 235135629 572101708 /nfs/dbraw/zinc/10/17/08/572101708.db2.gz MIYAHANTTFKTRQ-IUCAKERBSA-N 1 3 182.271 0.381 10 0 ACAEHO CSC1(CN[C@H](C)C[NH3+])CC1 235135981 572101970 /nfs/dbraw/zinc/10/19/70/572101970.db2.gz FKQBIKLVHUVZMN-SSDOTTSWSA-N 1 3 174.313 0.819 10 0 ACAEHO CC[C@@H](C)CN(C)C[C@H](O)C[NH2+]C 37172844 572103491 /nfs/dbraw/zinc/10/34/91/572103491.db2.gz YPLPUOWQYCGEIF-NXEZZACHSA-N 1 3 188.315 0.545 10 0 ACAEHO CCOC[C@H](C[NH3+])NC[C@H]1C=CCC1 711747186 572103656 /nfs/dbraw/zinc/10/36/56/572103656.db2.gz BVCKHDXOXOSHMR-QWRGUYRKSA-N 1 3 198.310 0.906 10 0 ACAEHO CC[C@H](C)CN(C)C[C@H](O)C[NH2+]C 37172845 572103711 /nfs/dbraw/zinc/10/37/11/572103711.db2.gz YPLPUOWQYCGEIF-VHSXEESVSA-N 1 3 188.315 0.545 10 0 ACAEHO CCOC[C@@H](C[NH3+])NC[C@H]1C=CCC1 711747195 572104020 /nfs/dbraw/zinc/10/40/20/572104020.db2.gz BVCKHDXOXOSHMR-WDEREUQCSA-N 1 3 198.310 0.906 10 0 ACAEHO C[C@@H](CN)[NH2+]Cc1ccccc1N 235139216 572104098 /nfs/dbraw/zinc/10/40/98/572104098.db2.gz VRPRKXCRNFAPRM-QMMMGPOBSA-N 1 3 179.267 0.706 10 0 ACAEHO C[NH2+]CC[C@@H]1CN(C(C)C)CCO1 71483128 572107497 /nfs/dbraw/zinc/10/74/97/572107497.db2.gz BDTCLSFMUBYYCL-SNVBAGLBSA-N 1 3 186.299 0.705 10 0 ACAEHO CC(C)(N)CC[NH2+]C[C@@H]1CCOC1 82773366 572106683 /nfs/dbraw/zinc/10/66/83/572106683.db2.gz XLZMTOHADSXNAA-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO CC(C)([NH3+])CCNC[C@H]1CCCO1 82773080 572106793 /nfs/dbraw/zinc/10/67/93/572106793.db2.gz ZMSFJTNIFMPJFP-SECBINFHSA-N 1 3 186.299 0.882 10 0 ACAEHO COCCNCCC1([NH3+])CCCC1 82773352 572106829 /nfs/dbraw/zinc/10/68/29/572106829.db2.gz RWFOYYJLXRTSBK-UHFFFAOYSA-N 1 3 186.299 0.884 10 0 ACAEHO C[NH2+]CC[C@H]1CN(C(C)C)CCO1 71483129 572106962 /nfs/dbraw/zinc/10/69/62/572106962.db2.gz BDTCLSFMUBYYCL-JTQLQIEISA-N 1 3 186.299 0.705 10 0 ACAEHO CCN1CCN(CCC(C)(C)[NH3+])CC1 82772857 572107336 /nfs/dbraw/zinc/10/73/36/572107336.db2.gz AKBBKMODYFLWLD-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO COC1CCN(C[C@H](C)C(N)=[NH2+])CC1 37266402 572107373 /nfs/dbraw/zinc/10/73/73/572107373.db2.gz QVHWQWXHFIEKKY-QMMMGPOBSA-N 1 3 199.298 0.669 10 0 ACAEHO C1CC[C@H]2NCCNCC[NH2+][C@H]2C1 34751470 572107384 /nfs/dbraw/zinc/10/73/84/572107384.db2.gz WMMWFBCRCBBVOA-AOOOYVTPSA-N 1 3 183.299 0.080 10 0 ACAEHO C1CC[C@H]2[NH2+]CCNCCN[C@H]2C1 34751470 572107387 /nfs/dbraw/zinc/10/73/87/572107387.db2.gz WMMWFBCRCBBVOA-AOOOYVTPSA-N 1 3 183.299 0.080 10 0 ACAEHO CC(C)([NH3+])CCNC[C@@H]1CCCO1 82773079 572107407 /nfs/dbraw/zinc/10/74/07/572107407.db2.gz ZMSFJTNIFMPJFP-VIFPVBQESA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)(N)CC[NH2+]C[C@H]1CCOC1 82773367 572107416 /nfs/dbraw/zinc/10/74/16/572107416.db2.gz XLZMTOHADSXNAA-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO COC1CCN(C[C@@H](C)C(N)=[NH2+])CC1 37266403 572107438 /nfs/dbraw/zinc/10/74/38/572107438.db2.gz QVHWQWXHFIEKKY-MRVPVSSYSA-N 1 3 199.298 0.669 10 0 ACAEHO CCCN1C[C@H](C)N(C)C[C@@H]1CC[NH3+] 219819227 572107534 /nfs/dbraw/zinc/10/75/34/572107534.db2.gz ZSLWHWPXJWIYLV-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](NCCO)[C@H]1CCC[N@H+](C)C1 37222103 572108488 /nfs/dbraw/zinc/10/84/88/572108488.db2.gz MNGYYXBDDLRHPM-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H](NCCO)[C@H]1CCC[N@@H+](C)C1 37222103 572108492 /nfs/dbraw/zinc/10/84/92/572108492.db2.gz MNGYYXBDDLRHPM-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C1CC[C@@H]2[NH2+]CCNCCN[C@H]2C1 34751471 572108550 /nfs/dbraw/zinc/10/85/50/572108550.db2.gz WMMWFBCRCBBVOA-UWVGGRQHSA-N 1 3 183.299 0.080 10 0 ACAEHO CCCN1C[C@@H](C)N(C)C[C@@H]1CC[NH3+] 219819293 572108579 /nfs/dbraw/zinc/10/85/79/572108579.db2.gz ZSLWHWPXJWIYLV-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO COCC[C@@H](C[NH3+])Nc1nccn1C 300939266 572108614 /nfs/dbraw/zinc/10/86/14/572108614.db2.gz VYOIIJLAQGQLEL-QMMMGPOBSA-N 1 3 198.270 0.196 10 0 ACAEHO C[C@H](NCCO)[C@@H]1CCC[N@H+](C)C1 37222101 572108840 /nfs/dbraw/zinc/10/88/40/572108840.db2.gz MNGYYXBDDLRHPM-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H](NCCO)[C@@H]1CCC[N@@H+](C)C1 37222101 572108842 /nfs/dbraw/zinc/10/88/42/572108842.db2.gz MNGYYXBDDLRHPM-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO COC1CCN(CCC(N)=[NH2+])CC1 37266407 572109106 /nfs/dbraw/zinc/10/91/06/572109106.db2.gz CMVROBJYJJEIFF-UHFFFAOYSA-N 1 3 185.271 0.423 10 0 ACAEHO COCCNCCC(C)(C)[NH3+] 82773353 572109526 /nfs/dbraw/zinc/10/95/26/572109526.db2.gz QSVSYSPYOMOKNR-UHFFFAOYSA-N 1 3 160.261 0.350 10 0 ACAEHO C1CC[C@H]2[NH2+]CCNCCN[C@@H]2C1 34751469 572109717 /nfs/dbraw/zinc/10/97/17/572109717.db2.gz WMMWFBCRCBBVOA-NXEZZACHSA-N 1 3 183.299 0.080 10 0 ACAEHO C[C@@H](CN)[NH2+][C@@H](C)CN1CCCCC1 235143684 572111110 /nfs/dbraw/zinc/11/11/10/572111110.db2.gz DOZIGAXYXZFCMZ-QWRGUYRKSA-N 1 3 199.342 0.798 10 0 ACAEHO CCCCN1C[C@@H](C)N(C)[C@H](C[NH3+])C1 219812398 572111071 /nfs/dbraw/zinc/11/10/71/572111071.db2.gz NSWLYDMYKBGIHF-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@@H+]1C[C@@H](C)N(C)[C@H](CN)C1 219812398 572111073 /nfs/dbraw/zinc/11/10/73/572111073.db2.gz NSWLYDMYKBGIHF-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@H+]1C[C@@H](C)N(C)[C@H](CN)C1 219812398 572111076 /nfs/dbraw/zinc/11/10/76/572111076.db2.gz NSWLYDMYKBGIHF-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](C[NH2+]C1CC1)NCCN(C)C 235143701 572111485 /nfs/dbraw/zinc/11/14/85/572111485.db2.gz FGYYOWSVKDLSGB-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO CC[C@H](CN)C[NH2+][C@@H]1C[C@H]1C 251131872 572112399 /nfs/dbraw/zinc/11/23/99/572112399.db2.gz YHYJSVOAQPBDJK-IWSPIJDZSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(=O)C[C@@H](C)N1CC[C@H](C[NH3+])C1 82792568 572112745 /nfs/dbraw/zinc/11/27/45/572112745.db2.gz YPTZKWDZYIBPQX-PSASIEDQSA-N 1 3 184.283 0.635 10 0 ACAEHO CCCCN1CCCN(C)C[C@@H]1C[NH3+] 219821770 572113148 /nfs/dbraw/zinc/11/31/48/572113148.db2.gz MMKFFTXHKKQQIX-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO C[C@@H](CN)[NH2+][C@@H](C)CN1CCCC1 235143586 572113204 /nfs/dbraw/zinc/11/32/04/572113204.db2.gz DUPYCGVGPVNOBR-UWVGGRQHSA-N 1 3 185.315 0.408 10 0 ACAEHO CC(=O)C[C@H](C)N1CC[C@H](C[NH3+])C1 82792566 572114937 /nfs/dbraw/zinc/11/49/37/572114937.db2.gz YPTZKWDZYIBPQX-WCBMZHEXSA-N 1 3 184.283 0.635 10 0 ACAEHO CCN1CCN([C@H](C)C[C@@H](C)[NH3+])CC1 82800787 572115805 /nfs/dbraw/zinc/11/58/05/572115805.db2.gz PKEROWFRHGWJIP-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN([C@@H](C)C[C@@H](C)[NH3+])CC1 82800786 572115976 /nfs/dbraw/zinc/11/59/76/572115976.db2.gz PKEROWFRHGWJIP-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H](C)Cn1ccnc1 235144484 572115984 /nfs/dbraw/zinc/11/59/84/572115984.db2.gz NRYBYNOKGONBBF-IUCAKERBSA-N 1 3 182.271 0.208 10 0 ACAEHO COCCN(C)[C@H](C)C[C@H](C)[NH3+] 82801722 572116172 /nfs/dbraw/zinc/11/61/72/572116172.db2.gz VFUVYZZNPMXVOL-DTWKUNHWSA-N 1 3 174.288 0.690 10 0 ACAEHO C[C@H]1OCC[C@H]1C[NH2+]CC1CNC1 235630698 572116266 /nfs/dbraw/zinc/11/62/66/572116266.db2.gz QDBANPQVUSYKCR-SCZZXKLOSA-N 1 3 184.283 0.220 10 0 ACAEHO C[C@H]1OCC[C@H]1C[NH2+]CC1(CN)CC1 235629897 572117539 /nfs/dbraw/zinc/11/75/39/572117539.db2.gz ZIEVWLQQUFYLEW-ZJUUUORDSA-N 1 3 198.310 0.740 10 0 ACAEHO CCN1CCN([C@@H](C)C[C@H](C)[NH3+])CC1 82800788 572117820 /nfs/dbraw/zinc/11/78/20/572117820.db2.gz PKEROWFRHGWJIP-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO COCCN(C)[C@H](C)C[C@@H](C)[NH3+] 82801723 572117928 /nfs/dbraw/zinc/11/79/28/572117928.db2.gz VFUVYZZNPMXVOL-RKDXNWHRSA-N 1 3 174.288 0.690 10 0 ACAEHO CCN1CCN([C@H](C)C[C@H](C)[NH3+])CC1 82800789 572118715 /nfs/dbraw/zinc/11/87/15/572118715.db2.gz PKEROWFRHGWJIP-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO COCCN(C)[C@@H](C)C[C@@H](C)[NH3+] 82801725 572119236 /nfs/dbraw/zinc/11/92/36/572119236.db2.gz VFUVYZZNPMXVOL-BDAKNGLRSA-N 1 3 174.288 0.690 10 0 ACAEHO NC[C@H]1CCC[NH2+][C@@H]1C1CC1 17918547 572119348 /nfs/dbraw/zinc/11/93/48/572119348.db2.gz LXDBBSHDOGSDIA-RKDXNWHRSA-N 1 3 154.257 0.723 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C 17901651 572119611 /nfs/dbraw/zinc/11/96/11/572119611.db2.gz QIRMHVCJEDMKOC-BWZBUEFSSA-N 1 3 140.230 0.156 10 0 ACAEHO NC[C@@H]1CCC[NH2+][C@H]1C1CC1 17918549 572119815 /nfs/dbraw/zinc/11/98/15/572119815.db2.gz LXDBBSHDOGSDIA-IUCAKERBSA-N 1 3 154.257 0.723 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C 17901649 572120028 /nfs/dbraw/zinc/12/00/28/572120028.db2.gz QIRMHVCJEDMKOC-PRJMDXOYSA-N 1 3 140.230 0.156 10 0 ACAEHO NC[C@H]1CCC[NH2+][C@H]1C1CC1 17918552 572120265 /nfs/dbraw/zinc/12/02/65/572120265.db2.gz LXDBBSHDOGSDIA-BDAKNGLRSA-N 1 3 154.257 0.723 10 0 ACAEHO NC[C@@H]1CCC[NH2+][C@@H]1C1CC1 17918545 572120491 /nfs/dbraw/zinc/12/04/91/572120491.db2.gz LXDBBSHDOGSDIA-DTWKUNHWSA-N 1 3 154.257 0.723 10 0 ACAEHO C[C@H]1CN([C@@H](C)C[C@@H](C)[NH3+])CCN1C 82802391 572120848 /nfs/dbraw/zinc/12/08/48/572120848.db2.gz TWYUTFRUXOUXIE-VWYCJHECSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H](CN)[NH2+][C@@H]1CCN(C2CC2)C1 235149540 572121350 /nfs/dbraw/zinc/12/13/50/572121350.db2.gz IOXQFPFQWIGURM-DTWKUNHWSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H]1CCN(C2CC2)C1 235149540 572121352 /nfs/dbraw/zinc/12/13/52/572121352.db2.gz IOXQFPFQWIGURM-DTWKUNHWSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N(C)CCN(C)C 82802444 572121509 /nfs/dbraw/zinc/12/15/09/572121509.db2.gz RHEZLSGKBHCGOY-VHSXEESVSA-N 1 3 187.331 0.606 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N(C)CCN(C)C 82802445 572121683 /nfs/dbraw/zinc/12/16/83/572121683.db2.gz RHEZLSGKBHCGOY-NXEZZACHSA-N 1 3 187.331 0.606 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N(C)CCN(C)C 82802447 572121771 /nfs/dbraw/zinc/12/17/71/572121771.db2.gz RHEZLSGKBHCGOY-ZJUUUORDSA-N 1 3 187.331 0.606 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N(C)CCN(C)C 82802446 572121891 /nfs/dbraw/zinc/12/18/91/572121891.db2.gz RHEZLSGKBHCGOY-UWVGGRQHSA-N 1 3 187.331 0.606 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)[C@@H]1CCOC1 69622495 572122104 /nfs/dbraw/zinc/12/21/04/572122104.db2.gz MTTMNBCHMRACPI-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CCN(C)[C@@H](C)C1 69625361 572122465 /nfs/dbraw/zinc/12/24/65/572122465.db2.gz OHZBVNPAIXHFBH-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO CC(C)N(CCC[NH3+])[C@H]1CCOC1 69622397 572122563 /nfs/dbraw/zinc/12/25/63/572122563.db2.gz VMSPZUDPTCMPAZ-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CCN(C[C@H](C)C[NH3+])[C@@H]1CCOC1 69622466 572122663 /nfs/dbraw/zinc/12/26/63/572122663.db2.gz IWNCMZRLLPVXAJ-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO Cc1cccc2c1nc(N)n2CC[NH3+] 214607577 572122768 /nfs/dbraw/zinc/12/27/68/572122768.db2.gz DFEBIEKLUDRSER-UHFFFAOYSA-N 1 3 190.250 0.886 10 0 ACAEHO CCN1CCN([C@H](C)C[NH2+]C)[C@H](C)C1 250225189 572122924 /nfs/dbraw/zinc/12/29/24/572122924.db2.gz FIUBUYWKSWEVOS-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO Cc1ccc2nc(N)n(CC[NH3+])c2c1 214607427 572123093 /nfs/dbraw/zinc/12/30/93/572123093.db2.gz ZPDXZRSNWKQKKL-UHFFFAOYSA-N 1 3 190.250 0.886 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCOC1 69622469 572123116 /nfs/dbraw/zinc/12/31/16/572123116.db2.gz DKTDGOQGNRGFFM-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN1CCN([C@H](C)C[NH2+]C)[C@@H](C)C1 250225192 572123200 /nfs/dbraw/zinc/12/32/00/572123200.db2.gz FIUBUYWKSWEVOS-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO Cc1ccc2c(c1)nc(N)n2CC[NH3+] 214607506 572123251 /nfs/dbraw/zinc/12/32/51/572123251.db2.gz RDYAXRNCVNBKRQ-UHFFFAOYSA-N 1 3 190.250 0.886 10 0 ACAEHO CC(C)N(CCC[NH3+])[C@@H]1CCOC1 69622392 572123366 /nfs/dbraw/zinc/12/33/66/572123366.db2.gz VMSPZUDPTCMPAZ-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN(C[C@@H](C)C[NH3+])[C@@H]1CCOC1 69622465 572123405 /nfs/dbraw/zinc/12/34/05/572123405.db2.gz IWNCMZRLLPVXAJ-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CCN(C)[C@H](C)C1 69625359 572123513 /nfs/dbraw/zinc/12/35/13/572123513.db2.gz OHZBVNPAIXHFBH-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@H](C[NH3+])CN(C)[C@@H]1CCOC1 69622472 572123861 /nfs/dbraw/zinc/12/38/61/572123861.db2.gz DKTDGOQGNRGFFM-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@H](CC[NH3+])N(C)[C@@H]1CCOC1 69622501 572123987 /nfs/dbraw/zinc/12/39/87/572123987.db2.gz MTTMNBCHMRACPI-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CCN1CCN([C@@H](C)C[NH2+]C)[C@@H](C)C1 250225196 572124327 /nfs/dbraw/zinc/12/43/27/572124327.db2.gz FIUBUYWKSWEVOS-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1CN([C@@H]2CCN(C)C2)C[C@H](C)[NH2+]1 69627816 572124888 /nfs/dbraw/zinc/12/48/88/572124888.db2.gz WTGPOMMMXLYHRQ-GARJFASQSA-N 1 3 197.326 0.373 10 0 ACAEHO CN1CCN(CCCC(C)(C)[NH3+])CC1 69634380 572126743 /nfs/dbraw/zinc/12/67/43/572126743.db2.gz POVRZHUWQFZHQU-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[N@H+](C)CC[C@@](C)(CO)NC 82885610 572137708 /nfs/dbraw/zinc/13/77/08/572137708.db2.gz PBQZUUNNUZKRJQ-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO COCC1CCN(CCC(N)=[NH2+])CC1 69631798 572127110 /nfs/dbraw/zinc/12/71/10/572127110.db2.gz UXIZOFAVKXGGDA-UHFFFAOYSA-N 1 3 199.298 0.671 10 0 ACAEHO COc1ccccc1C(CN)C[NH3+] 71498287 572129502 /nfs/dbraw/zinc/12/95/02/572129502.db2.gz IYYOIKUFVGBVPH-UHFFFAOYSA-N 1 3 180.251 0.696 10 0 ACAEHO COc1ccc(C(CN)C[NH3+])cc1 71498291 572129539 /nfs/dbraw/zinc/12/95/39/572129539.db2.gz ADDUWVYHKVLPCB-UHFFFAOYSA-N 1 3 180.251 0.696 10 0 ACAEHO CCN(CCN(C)C)C1CC[NH2+]CC1 37469550 572130351 /nfs/dbraw/zinc/13/03/51/572130351.db2.gz WTCBODPJSSOQNQ-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+]CC[C@@H](C)N1CCN(C)C[C@H]1C 300354220 572130572 /nfs/dbraw/zinc/13/05/72/572130572.db2.gz CPQSJFBWNYIYJZ-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](C[NH3+])CN1CCN(C)C[C@H]1C 300354353 572129778 /nfs/dbraw/zinc/12/97/78/572129778.db2.gz FXUWBUBIHGITGL-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1CCN([C@@H]2CCN(C)C2)C[C@@H]1[NH3+] 69718451 572129869 /nfs/dbraw/zinc/12/98/69/572129869.db2.gz SWTFSAXZDBXIAM-AXFHLTTASA-N 1 3 197.326 0.360 10 0 ACAEHO COCCCN1CC[C@@H](C)[C@H]1C[NH3+] 300357401 572130072 /nfs/dbraw/zinc/13/00/72/572130072.db2.gz YGGCSCXKRIILEE-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+][C@@H](C)CCN1CCN(C)C[C@H]1C 300356921 572130397 /nfs/dbraw/zinc/13/03/97/572130397.db2.gz RPFFZOCOVKQUMR-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+]C[C@@H](C)N1CCN(C)C[C@H]1C 300355949 572130431 /nfs/dbraw/zinc/13/04/31/572130431.db2.gz VQJGVPQGOWDSOB-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+]CCN1CCN(C)C[C@H]1C 300357196 572130494 /nfs/dbraw/zinc/13/04/94/572130494.db2.gz VYAPEUSMYIJBJB-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@H](C)CCN1CCN(C)C[C@H]1C 300356920 572130562 /nfs/dbraw/zinc/13/05/62/572130562.db2.gz RPFFZOCOVKQUMR-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CC[C@](C)(CN)C1 300353243 572130591 /nfs/dbraw/zinc/13/05/91/572130591.db2.gz VKMVYJMVJLOINL-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](C)C[N@H+]1CC[C@](C)(CN)C1 300353243 572130594 /nfs/dbraw/zinc/13/05/94/572130594.db2.gz VKMVYJMVJLOINL-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](C)CN1CC[C@](C)(C[NH3+])C1 300353243 572130597 /nfs/dbraw/zinc/13/05/97/572130597.db2.gz VKMVYJMVJLOINL-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NC[C@H](O)C(F)F)C1 300354734 572130604 /nfs/dbraw/zinc/13/06/04/572130604.db2.gz ISWUSFIXFBSMDV-QYNIQEEDSA-N 1 3 194.225 0.082 10 0 ACAEHO CC(C)[NH2+]CCN1CCN(C)C[C@H]1C 300356985 572130804 /nfs/dbraw/zinc/13/08/04/572130804.db2.gz SNDQBPJGKQHWJK-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+]C[C@H](C)N1CCN(C)C[C@H]1C 300355950 572130966 /nfs/dbraw/zinc/13/09/66/572130966.db2.gz VQJGVPQGOWDSOB-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[NH2+]CCN1CCN(C)C[C@H]1C 300354516 572131048 /nfs/dbraw/zinc/13/10/48/572131048.db2.gz BHYGGFIYBJPGLP-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CC[C@](C)(CN)C1 300353244 572131223 /nfs/dbraw/zinc/13/12/23/572131223.db2.gz VKMVYJMVJLOINL-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CC[C@](C)(CN)C1 300353244 572131227 /nfs/dbraw/zinc/13/12/27/572131227.db2.gz VKMVYJMVJLOINL-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H](C)CN1CC[C@](C)(C[NH3+])C1 300353244 572131231 /nfs/dbraw/zinc/13/12/31/572131231.db2.gz VKMVYJMVJLOINL-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@H](C[NH3+])CN1CCN(C)C[C@H]1C 300354352 572131315 /nfs/dbraw/zinc/13/13/15/572131315.db2.gz FXUWBUBIHGITGL-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[NH2+]CCCN1CCN(C)C[C@H]1C 300355082 572131487 /nfs/dbraw/zinc/13/14/87/572131487.db2.gz GOHBRGNNENLZFD-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@@H]([NH3+])CCN1CCN(C)C[C@H]1C 300354755 572131740 /nfs/dbraw/zinc/13/17/40/572131740.db2.gz JAVNXLWLNCXIFG-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]([NH3+])CCN1CCN(C)C[C@H]1C 300354756 572131758 /nfs/dbraw/zinc/13/17/58/572131758.db2.gz JAVNXLWLNCXIFG-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO COCCCN1CC[C@H](C)[C@H]1C[NH3+] 300357402 572132078 /nfs/dbraw/zinc/13/20/78/572132078.db2.gz YGGCSCXKRIILEE-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]CC[C@H](C)N1CCN(C)C[C@H]1C 300354221 572132300 /nfs/dbraw/zinc/13/23/00/572132300.db2.gz CPQSJFBWNYIYJZ-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H]([NH3+])CCCN1CCN(C)C[C@H]1C 300356895 572132338 /nfs/dbraw/zinc/13/23/38/572132338.db2.gz RJFAUXMRWMPJBG-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC[C@@H]([NH3+])CO)C(C)C 82885788 572135184 /nfs/dbraw/zinc/13/51/84/572135184.db2.gz YMPWEZQTHVWLDK-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO CCC[C@@H](C)N1CCNC[C@H]1C[NH3+] 300349884 572134172 /nfs/dbraw/zinc/13/41/72/572134172.db2.gz SMYAOFJEJFKYQI-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO CCC[C@@H](C)[N@@H+]1CCNC[C@H]1CN 300349884 572134175 /nfs/dbraw/zinc/13/41/75/572134175.db2.gz SMYAOFJEJFKYQI-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO CCC[C@@H](C)[N@H+]1CCNC[C@H]1CN 300349884 572134177 /nfs/dbraw/zinc/13/41/77/572134177.db2.gz SMYAOFJEJFKYQI-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO C[NH2+][C@](C)(CO)CCN1CCCC1 82884182 572136628 /nfs/dbraw/zinc/13/66/28/572136628.db2.gz ASKAJPWCQWJUHN-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CN[C@](C)(CO)CC[NH+]1CCCC1 82884182 572136629 /nfs/dbraw/zinc/13/66/29/572136629.db2.gz ASKAJPWCQWJUHN-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CCCCN(CC)CC[C@H]([NH3+])CO 82883747 572136977 /nfs/dbraw/zinc/13/69/77/572136977.db2.gz WUXIVRVLDZBGGB-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO COCCC[N@@H+]1CC[C@H](C)[C@@H](N)C1 69719913 572134694 /nfs/dbraw/zinc/13/46/94/572134694.db2.gz AGTQFGZWTZYNGJ-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+]1CC[C@H](C)[C@@H](N)C1 69719913 572134696 /nfs/dbraw/zinc/13/46/96/572134696.db2.gz AGTQFGZWTZYNGJ-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCC[C@H](C)N1CCNC[C@H]1C[NH3+] 300349885 572134753 /nfs/dbraw/zinc/13/47/53/572134753.db2.gz SMYAOFJEJFKYQI-VHSXEESVSA-N 1 3 185.315 0.408 10 0 ACAEHO CCC[C@H](C)[N@@H+]1CCNC[C@H]1CN 300349885 572134755 /nfs/dbraw/zinc/13/47/55/572134755.db2.gz SMYAOFJEJFKYQI-VHSXEESVSA-N 1 3 185.315 0.408 10 0 ACAEHO CCC[C@H](C)[N@H+]1CCNC[C@H]1CN 300349885 572134757 /nfs/dbraw/zinc/13/47/57/572134757.db2.gz SMYAOFJEJFKYQI-VHSXEESVSA-N 1 3 185.315 0.408 10 0 ACAEHO COCCC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 69719911 572134796 /nfs/dbraw/zinc/13/47/96/572134796.db2.gz AGTQFGZWTZYNGJ-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+]1CC[C@@H](C)[C@@H](N)C1 69719911 572134800 /nfs/dbraw/zinc/13/48/00/572134800.db2.gz AGTQFGZWTZYNGJ-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[N@H+](C)[C@H](C)C[C@](C)(N)CO 82885628 572137045 /nfs/dbraw/zinc/13/70/45/572137045.db2.gz ZXTMIDYECJSXTL-BDAKNGLRSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H](C[C@](C)(N)CO)[NH+]1CCCC1 82884197 572134901 /nfs/dbraw/zinc/13/49/01/572134901.db2.gz QZHRNUIFFZTDKV-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](C[C@](C)([NH3+])CO)N1CCCC1 82884197 572134906 /nfs/dbraw/zinc/13/49/06/572134906.db2.gz QZHRNUIFFZTDKV-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@@H+](CC[C@@](C)(N)CO)C1CC1 82886093 572137125 /nfs/dbraw/zinc/13/71/25/572137125.db2.gz BAWXCIWVKIWPOJ-SNVBAGLBSA-N 1 3 186.299 0.571 10 0 ACAEHO CN[C@](C)(CO)C[C@@H](C)[NH+](C)C 82885222 572134982 /nfs/dbraw/zinc/13/49/82/572134982.db2.gz QFNOIZNOKPIROX-BDAKNGLRSA-N 1 3 174.288 0.297 10 0 ACAEHO CN[C@H](CO)CC[N@@H+]1CCC[C@@H]1C 82883598 572134998 /nfs/dbraw/zinc/13/49/98/572134998.db2.gz SEQAGPSLVPPDOV-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CN[C@H](CO)CC[N@H+]1CCC[C@@H]1C 82883598 572135001 /nfs/dbraw/zinc/13/50/01/572135001.db2.gz SEQAGPSLVPPDOV-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+][C@H](CO)CCN1CCC[C@@H]1C 82883598 572135003 /nfs/dbraw/zinc/13/50/03/572135003.db2.gz SEQAGPSLVPPDOV-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1CCCCN1CC[C@H]([NH3+])CO 82884439 572135032 /nfs/dbraw/zinc/13/50/32/572135032.db2.gz MVQBQIHXAVGCCV-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](C[C@@](C)(N)CO)[NH+]1CCCC1 82884200 572135058 /nfs/dbraw/zinc/13/50/58/572135058.db2.gz QZHRNUIFFZTDKV-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](C[C@@](C)([NH3+])CO)N1CCCC1 82884200 572135061 /nfs/dbraw/zinc/13/50/61/572135061.db2.gz QZHRNUIFFZTDKV-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCCN(CC)CC[C@@H]([NH3+])CO 82883749 572138391 /nfs/dbraw/zinc/13/83/91/572138391.db2.gz WUXIVRVLDZBGGB-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCN[C@](C)(CO)CC[N@H+](C)CC 82885667 572135107 /nfs/dbraw/zinc/13/51/07/572135107.db2.gz YRIBQLDEWYAFHJ-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCN[C@](C)(CO)CC[N@@H+](C)CC 82885667 572135110 /nfs/dbraw/zinc/13/51/10/572135110.db2.gz YRIBQLDEWYAFHJ-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCN[C@@H](CO)CC[NH+](CC)CC 82884380 572135208 /nfs/dbraw/zinc/13/52/08/572135208.db2.gz IRPCLNKFGKNTGC-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CN[C@](C)(CO)CC[N@H+](C)C(C)C 82884890 572135274 /nfs/dbraw/zinc/13/52/74/572135274.db2.gz PIXADVDNONVTTN-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CN[C@](C)(CO)CC[N@@H+](C)C(C)C 82884890 572135277 /nfs/dbraw/zinc/13/52/77/572135277.db2.gz PIXADVDNONVTTN-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CCN[C@](C)(CO)C[C@H](C)[NH+](C)C 82885164 572135294 /nfs/dbraw/zinc/13/52/94/572135294.db2.gz AVKBJHJRKYUAEC-UWVGGRQHSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[NH+](CC)CC[C@](C)(CO)NC 82884364 572135500 /nfs/dbraw/zinc/13/55/00/572135500.db2.gz YVCUFXJJHTUJQL-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO C[NH2+][C@@H](CO)CCN(C)CC(C)C 82885344 572135514 /nfs/dbraw/zinc/13/55/14/572135514.db2.gz YIGGNVFCRHKADV-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO C[C@H]1CCCN(CC[C@H]([NH3+])CO)C1 82884691 572135542 /nfs/dbraw/zinc/13/55/42/572135542.db2.gz QVHBDQUFBVAWMQ-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC[N@H+](C)CC[C@](C)(N)CO 82885512 572135558 /nfs/dbraw/zinc/13/55/58/572135558.db2.gz YZKDEWVDTIFRJB-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CCC[N@@H+](C)CC[C@](C)(N)CO 82885512 572135560 /nfs/dbraw/zinc/13/55/60/572135560.db2.gz YZKDEWVDTIFRJB-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO C[C@@](N)(CO)CC[NH+]1CCCCC1 82882524 572135568 /nfs/dbraw/zinc/13/55/68/572135568.db2.gz SGCJWHGSLGTNDV-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO CCN[C@@](C)(CO)CC[N@H+](C)CC 82885668 572135603 /nfs/dbraw/zinc/13/56/03/572135603.db2.gz YRIBQLDEWYAFHJ-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCN[C@@](C)(CO)CC[N@@H+](C)CC 82885668 572135606 /nfs/dbraw/zinc/13/56/06/572135606.db2.gz YRIBQLDEWYAFHJ-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO C[C@@H]1CCCCN1CC[C@H]([NH3+])CO 82884437 572135620 /nfs/dbraw/zinc/13/56/20/572135620.db2.gz MVQBQIHXAVGCCV-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CN[C@@H](CO)CC[N@H+](C)C1CC1 82885768 572135802 /nfs/dbraw/zinc/13/58/02/572135802.db2.gz PMGKWUICMFIQBJ-MRVPVSSYSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H]1CCCN1CC[C@H]([NH3+])CO 82883504 572135654 /nfs/dbraw/zinc/13/56/54/572135654.db2.gz HQQMKHXZJXIIIT-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(CC[C@@](C)([NH3+])CO)C1CC1 82885710 572135665 /nfs/dbraw/zinc/13/56/65/572135665.db2.gz IIDAVEOHGFVAAN-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(CC[C@H]([NH3+])CO)C(C)C 82885787 572135751 /nfs/dbraw/zinc/13/57/51/572135751.db2.gz YMPWEZQTHVWLDK-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO CN[C@@H](CO)CC[N@@H+](C)C1CC1 82885768 572135805 /nfs/dbraw/zinc/13/58/05/572135805.db2.gz PMGKWUICMFIQBJ-MRVPVSSYSA-N 1 3 172.272 0.051 10 0 ACAEHO CC[C@H](C)[N@H+](C)CC[C@](C)(N)CO 82885365 572135931 /nfs/dbraw/zinc/13/59/31/572135931.db2.gz NOJMDEVVNVGWDV-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H](CN)[NH2+][C@H](C)CN1CCCCC1 235150748 572135850 /nfs/dbraw/zinc/13/58/50/572135850.db2.gz DOZIGAXYXZFCMZ-WDEREUQCSA-N 1 3 199.342 0.798 10 0 ACAEHO CC[N@H+](C)[C@@H](C)C[C@@](C)(CO)NC 82885663 572135875 /nfs/dbraw/zinc/13/58/75/572135875.db2.gz HAJHTKBBDJICJE-UWVGGRQHSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[N@@H+](C)[C@@H](C)C[C@@](C)(CO)NC 82885663 572135879 /nfs/dbraw/zinc/13/58/79/572135879.db2.gz HAJHTKBBDJICJE-UWVGGRQHSA-N 1 3 188.315 0.687 10 0 ACAEHO CC(C)CN(C)CC[C@H]([NH3+])CO 82885295 572135890 /nfs/dbraw/zinc/13/58/90/572135890.db2.gz DPPKHKCFDSHIQI-VIFPVBQESA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@@H](CN)[NH2+][C@H](C)CN1CCCC1 235150685 572135897 /nfs/dbraw/zinc/13/58/97/572135897.db2.gz DUPYCGVGPVNOBR-VHSXEESVSA-N 1 3 185.315 0.408 10 0 ACAEHO CC[C@H](C)[N@@H+](C)CC[C@](C)(N)CO 82885365 572135934 /nfs/dbraw/zinc/13/59/34/572135934.db2.gz NOJMDEVVNVGWDV-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@H](C)N(C)CC[C@](C)([NH3+])CO 82885365 572135938 /nfs/dbraw/zinc/13/59/38/572135938.db2.gz NOJMDEVVNVGWDV-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H](C[C@](C)(N)CO)[NH+]1CCCC1 82884198 572135943 /nfs/dbraw/zinc/13/59/43/572135943.db2.gz QZHRNUIFFZTDKV-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](C[C@](C)([NH3+])CO)N1CCCC1 82884198 572135944 /nfs/dbraw/zinc/13/59/44/572135944.db2.gz QZHRNUIFFZTDKV-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CC[C@@H](CO)[NH2+]C)C(C)C 82885839 572135960 /nfs/dbraw/zinc/13/59/60/572135960.db2.gz OYYNGXWDZQWVBT-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CN[C@H](CO)CC[N@H+](C)C1CC1 82885767 572136012 /nfs/dbraw/zinc/13/60/12/572136012.db2.gz PMGKWUICMFIQBJ-QMMMGPOBSA-N 1 3 172.272 0.051 10 0 ACAEHO CN[C@H](CO)CC[N@@H+](C)C1CC1 82885767 572136014 /nfs/dbraw/zinc/13/60/14/572136014.db2.gz PMGKWUICMFIQBJ-QMMMGPOBSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H](C[C@@](C)(N)CO)[NH+]1CCCC1 82884199 572136028 /nfs/dbraw/zinc/13/60/28/572136028.db2.gz QZHRNUIFFZTDKV-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](C[C@@](C)([NH3+])CO)N1CCCC1 82884199 572136032 /nfs/dbraw/zinc/13/60/32/572136032.db2.gz QZHRNUIFFZTDKV-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](C[C@](C)(N)CO)[N@H+](C)C1CC1 82885715 572136049 /nfs/dbraw/zinc/13/60/49/572136049.db2.gz BUYIBHPKNVZTOO-SCZZXKLOSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](C[C@](C)(N)CO)[N@@H+](C)C1CC1 82885715 572136052 /nfs/dbraw/zinc/13/60/52/572136052.db2.gz BUYIBHPKNVZTOO-SCZZXKLOSA-N 1 3 186.299 0.569 10 0 ACAEHO CCC[N@H+](C)[C@H](C)C[C@](C)(N)CO 82885516 572136076 /nfs/dbraw/zinc/13/60/76/572136076.db2.gz ONSNRNKTJLXXHI-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CCC[N@@H+](C)[C@H](C)C[C@](C)(N)CO 82885516 572136077 /nfs/dbraw/zinc/13/60/77/572136077.db2.gz ONSNRNKTJLXXHI-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CCCN(C)[C@H](C)C[C@](C)([NH3+])CO 82885516 572136080 /nfs/dbraw/zinc/13/60/80/572136080.db2.gz ONSNRNKTJLXXHI-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CCN(CC[C@H](CO)[NH2+]C)C(C)C 82885840 572137584 /nfs/dbraw/zinc/13/75/84/572137584.db2.gz OYYNGXWDZQWVBT-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[N@H+](C)CC[C@](C)(N)CO 82885625 572136122 /nfs/dbraw/zinc/13/61/22/572136122.db2.gz HQHFBUBSKBYHHG-QMMMGPOBSA-N 1 3 160.261 0.038 10 0 ACAEHO CC[N@@H+](C)CC[C@](C)(N)CO 82885625 572136124 /nfs/dbraw/zinc/13/61/24/572136124.db2.gz HQHFBUBSKBYHHG-QMMMGPOBSA-N 1 3 160.261 0.038 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])CN1[C@@H]1CCOC1 69727662 572136154 /nfs/dbraw/zinc/13/61/54/572136154.db2.gz WLPMXYZOQAGDSB-HBNTYKKESA-N 1 3 198.310 0.835 10 0 ACAEHO CC(C)C[N@H+](C)CC[C@](C)(N)CO 82885309 572136160 /nfs/dbraw/zinc/13/61/60/572136160.db2.gz LKVKAKANXIQZRH-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)C[N@@H+](C)CC[C@](C)(N)CO 82885309 572136163 /nfs/dbraw/zinc/13/61/63/572136163.db2.gz LKVKAKANXIQZRH-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)CN(C)CC[C@](C)([NH3+])CO 82885309 572136167 /nfs/dbraw/zinc/13/61/67/572136167.db2.gz LKVKAKANXIQZRH-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CCN[C@](C)(CO)C[C@@H](C)[NH+](C)C 82885162 572136186 /nfs/dbraw/zinc/13/61/86/572136186.db2.gz AVKBJHJRKYUAEC-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO C[C@@](N)(CO)CC[NH+]1CCCC1 82884196 572137616 /nfs/dbraw/zinc/13/76/16/572137616.db2.gz TVMSVCOUBSWJDB-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@H](C[C@@](C)(N)CO)[N@H+](C)C1CC1 82885718 572136212 /nfs/dbraw/zinc/13/62/12/572136212.db2.gz BUYIBHPKNVZTOO-PSASIEDQSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](C[C@@](C)(N)CO)[N@@H+](C)C1CC1 82885718 572136216 /nfs/dbraw/zinc/13/62/16/572136216.db2.gz BUYIBHPKNVZTOO-PSASIEDQSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[N@H+](CC[C@](C)(N)CO)C1CC1 82886091 572136232 /nfs/dbraw/zinc/13/62/32/572136232.db2.gz BAWXCIWVKIWPOJ-JTQLQIEISA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@@H+](CC[C@](C)(N)CO)C1CC1 82886091 572136235 /nfs/dbraw/zinc/13/62/35/572136235.db2.gz BAWXCIWVKIWPOJ-JTQLQIEISA-N 1 3 186.299 0.571 10 0 ACAEHO CCN[C@@](C)(CO)C[C@H](C)[NH+](C)C 82885165 572136279 /nfs/dbraw/zinc/13/62/79/572136279.db2.gz AVKBJHJRKYUAEC-VHSXEESVSA-N 1 3 188.315 0.687 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])CN1[C@@H]1CCOC1 69727669 572136295 /nfs/dbraw/zinc/13/62/95/572136295.db2.gz WLPMXYZOQAGDSB-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H](C[C@](C)(N)CO)[N@H+](C)C1CC1 82885714 572136423 /nfs/dbraw/zinc/13/64/23/572136423.db2.gz BUYIBHPKNVZTOO-WPRPVWTQSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](C[C@](C)(N)CO)[N@@H+](C)C1CC1 82885714 572136428 /nfs/dbraw/zinc/13/64/28/572136428.db2.gz BUYIBHPKNVZTOO-WPRPVWTQSA-N 1 3 186.299 0.569 10 0 ACAEHO CN(CC[C@](C)([NH3+])CO)C1CC1 82885712 572136439 /nfs/dbraw/zinc/13/64/39/572136439.db2.gz IIDAVEOHGFVAAN-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CCN[C@H](CO)CC[NH+]1CCCC1 82884216 572136464 /nfs/dbraw/zinc/13/64/64/572136464.db2.gz DQWPEMUJMDSUQK-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CO[C@H](CN)C[N@@H+]1CCC[C@H]1C 300376997 572136478 /nfs/dbraw/zinc/13/64/78/572136478.db2.gz NWOIOJBLTHYORF-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@H](CN)C[N@H+]1CCC[C@H]1C 300376997 572136480 /nfs/dbraw/zinc/13/64/80/572136480.db2.gz NWOIOJBLTHYORF-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CCC[N@H+](C)CC[C@@](C)(N)CO 82885514 572138405 /nfs/dbraw/zinc/13/84/05/572138405.db2.gz YZKDEWVDTIFRJB-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CN(CC[C@H]([NH3+])CO)C1CCCC1 82885881 572136491 /nfs/dbraw/zinc/13/64/91/572136491.db2.gz FPJSFURVMJXOCR-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CN[C@@](C)(CO)C[C@H](C)[NH+](C)C 82885223 572136505 /nfs/dbraw/zinc/13/65/05/572136505.db2.gz QFNOIZNOKPIROX-DTWKUNHWSA-N 1 3 174.288 0.297 10 0 ACAEHO CCC[N@@H+](C)CC[C@@](C)(N)CO 82885514 572138406 /nfs/dbraw/zinc/13/84/06/572138406.db2.gz YZKDEWVDTIFRJB-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CN[C@@H](CO)CC[NH+]1CCCCC1 82882586 572136658 /nfs/dbraw/zinc/13/66/58/572136658.db2.gz GFMLGNNQJHVLRT-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC[NH+](CC)CC[C@@](C)(CO)NC 82884363 572136768 /nfs/dbraw/zinc/13/67/68/572136768.db2.gz YVCUFXJJHTUJQL-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CC[N@H+](C)CC[C@@H](CO)NC(C)C 82885687 572136779 /nfs/dbraw/zinc/13/67/79/572136779.db2.gz DYNWXPONQCRBFO-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO CC[N@@H+](C)CC[C@@H](CO)NC(C)C 82885687 572136783 /nfs/dbraw/zinc/13/67/83/572136783.db2.gz DYNWXPONQCRBFO-JTQLQIEISA-N 1 3 188.315 0.687 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1CC[C@](C)(N)CO 82883527 572136799 /nfs/dbraw/zinc/13/67/99/572136799.db2.gz IPLTZUQBBJNQOX-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H]1CCC[N@H+]1CC[C@](C)(N)CO 82883527 572136801 /nfs/dbraw/zinc/13/68/01/572136801.db2.gz IPLTZUQBBJNQOX-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H]1CCCN1CC[C@](C)([NH3+])CO 82883527 572136804 /nfs/dbraw/zinc/13/68/04/572136804.db2.gz IPLTZUQBBJNQOX-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CN[C@@](C)(CO)CC[N@H+](C)C(C)C 82884891 572136818 /nfs/dbraw/zinc/13/68/18/572136818.db2.gz PIXADVDNONVTTN-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CN[C@@](C)(CO)CC[N@@H+](C)C(C)C 82884891 572136821 /nfs/dbraw/zinc/13/68/21/572136821.db2.gz PIXADVDNONVTTN-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CN[C@@](C)(CO)C[C@@H](C)[NH+](C)C 82885224 572136862 /nfs/dbraw/zinc/13/68/62/572136862.db2.gz QFNOIZNOKPIROX-RKDXNWHRSA-N 1 3 174.288 0.297 10 0 ACAEHO C[NH2+][C@H](CO)CCN(C)CC(C)C 82885343 572136876 /nfs/dbraw/zinc/13/68/76/572136876.db2.gz YIGGNVFCRHKADV-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO CC[C@@H](C)CN(C)C[C@H](C[NH3+])OC 300378756 572136968 /nfs/dbraw/zinc/13/69/68/572136968.db2.gz WECLCAQGPBDHIK-ZJUUUORDSA-N 1 3 188.315 0.938 10 0 ACAEHO CCN(CC[C@H]([NH3+])CO)CC1CC1 82882229 572137011 /nfs/dbraw/zinc/13/70/11/572137011.db2.gz HHYLGVLUPZKGRN-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO CC[N@@H+](C)[C@H](C)C[C@](C)(N)CO 82885628 572137053 /nfs/dbraw/zinc/13/70/53/572137053.db2.gz ZXTMIDYECJSXTL-BDAKNGLRSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H]1CCC[N@@H+]1CC[C@](C)(N)CO 82883529 572137063 /nfs/dbraw/zinc/13/70/63/572137063.db2.gz IPLTZUQBBJNQOX-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1CCC[N@H+]1CC[C@](C)(N)CO 82883529 572137066 /nfs/dbraw/zinc/13/70/66/572137066.db2.gz IPLTZUQBBJNQOX-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1CCCN1CC[C@](C)([NH3+])CO 82883529 572137070 /nfs/dbraw/zinc/13/70/70/572137070.db2.gz IPLTZUQBBJNQOX-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@H+](CC[C@@](C)(N)CO)C1CC1 82886093 572137121 /nfs/dbraw/zinc/13/71/21/572137121.db2.gz BAWXCIWVKIWPOJ-SNVBAGLBSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]1CC[N@H+](C[C@H](CN)OC)C1 300378747 572137124 /nfs/dbraw/zinc/13/71/24/572137124.db2.gz WDINPPJOSORINM-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@H]1CC[N@@H+](C[C@H](CN)OC)C1 300378747 572137127 /nfs/dbraw/zinc/13/71/27/572137127.db2.gz WDINPPJOSORINM-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1CCCN(CC[C@H]([NH3+])CO)C1 82884690 572137172 /nfs/dbraw/zinc/13/71/72/572137172.db2.gz QVHBDQUFBVAWMQ-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+]C1CCN(CCN(C)C)CC1 37469342 572137183 /nfs/dbraw/zinc/13/71/83/572137183.db2.gz VCTVVEIAWRFJBY-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO CN[C@H](CO)CC[NH+]1CCCCC1 82882584 572137189 /nfs/dbraw/zinc/13/71/89/572137189.db2.gz GFMLGNNQJHVLRT-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CC[C@H](C)N(C)CC[C@@H](CO)[NH2+]C 82885402 572137206 /nfs/dbraw/zinc/13/72/06/572137206.db2.gz PUYVCYUYSMWNCL-UWVGGRQHSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[NH2+]C1CCN(CCN(C)C)CC1 37469372 572137272 /nfs/dbraw/zinc/13/72/72/572137272.db2.gz PLVACXUIZIXOOJ-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H]1CCCN1CC[C@H]([NH3+])CO 82883506 572137300 /nfs/dbraw/zinc/13/73/00/572137300.db2.gz HQQMKHXZJXIIIT-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](C)N(C)CC[C@@H](CO)[NH2+]C 82885401 572137337 /nfs/dbraw/zinc/13/73/37/572137337.db2.gz PUYVCYUYSMWNCL-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO C[C@]([NH3+])(CO)CCN1CCCC1 82884195 572137352 /nfs/dbraw/zinc/13/73/52/572137352.db2.gz TVMSVCOUBSWJDB-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@](N)(CO)CC[NH+]1CCCC1 82884195 572137358 /nfs/dbraw/zinc/13/73/58/572137358.db2.gz TVMSVCOUBSWJDB-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO CCN1CCN(C)C[C@H]1CC[NH2+]C 250231286 572137447 /nfs/dbraw/zinc/13/74/47/572137447.db2.gz GFJRMQLRLAOEJC-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@@H]1CC[N@H+](C[C@H](CN)OC)C1 300378749 572137495 /nfs/dbraw/zinc/13/74/95/572137495.db2.gz WDINPPJOSORINM-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@@H]1CC[N@@H+](C[C@H](CN)OC)C1 300378749 572137497 /nfs/dbraw/zinc/13/74/97/572137497.db2.gz WDINPPJOSORINM-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[N@H+](C)CC[C@H](CO)NC(C)C 82885688 572137506 /nfs/dbraw/zinc/13/75/06/572137506.db2.gz DYNWXPONQCRBFO-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[N@@H+](C)CC[C@H](CO)NC(C)C 82885688 572137508 /nfs/dbraw/zinc/13/75/08/572137508.db2.gz DYNWXPONQCRBFO-SNVBAGLBSA-N 1 3 188.315 0.687 10 0 ACAEHO CCC[N@H+](C)CC[C@](C)(CO)NC 82885494 572137538 /nfs/dbraw/zinc/13/75/38/572137538.db2.gz YMYSLCRHOVHPPI-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@@H+](C)CC[C@](C)(CO)NC 82885494 572137541 /nfs/dbraw/zinc/13/75/41/572137541.db2.gz YMYSLCRHOVHPPI-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO C[C@@]([NH3+])(CO)CCN1CCCC1 82884196 572137615 /nfs/dbraw/zinc/13/76/15/572137615.db2.gz TVMSVCOUBSWJDB-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO CN(CC[C@@H]([NH3+])CO)C1CCCC1 82885882 572137628 /nfs/dbraw/zinc/13/76/28/572137628.db2.gz FPJSFURVMJXOCR-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H](C)[N@H+](C)CC[C@](C)(N)CO 82885363 572137661 /nfs/dbraw/zinc/13/76/61/572137661.db2.gz NOJMDEVVNVGWDV-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@@H](C)[N@@H+](C)CC[C@](C)(N)CO 82885363 572137665 /nfs/dbraw/zinc/13/76/65/572137665.db2.gz NOJMDEVVNVGWDV-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@@H](C)N(C)CC[C@](C)([NH3+])CO 82885363 572137668 /nfs/dbraw/zinc/13/76/68/572137668.db2.gz NOJMDEVVNVGWDV-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[N@@H+](C)CC[C@@](C)(CO)NC 82885610 572137711 /nfs/dbraw/zinc/13/77/11/572137711.db2.gz PBQZUUNNUZKRJQ-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO CC[N@H+](C)CC[C@@](C)(N)CO 82885626 572137725 /nfs/dbraw/zinc/13/77/25/572137725.db2.gz HQHFBUBSKBYHHG-MRVPVSSYSA-N 1 3 160.261 0.038 10 0 ACAEHO CC[N@@H+](C)CC[C@@](C)(N)CO 82885626 572137726 /nfs/dbraw/zinc/13/77/26/572137726.db2.gz HQHFBUBSKBYHHG-MRVPVSSYSA-N 1 3 160.261 0.038 10 0 ACAEHO CC[N@H+](C)CC[C@](C)(CO)NC 82885611 572137746 /nfs/dbraw/zinc/13/77/46/572137746.db2.gz PBQZUUNNUZKRJQ-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CC[N@@H+](C)CC[C@](C)(CO)NC 82885611 572137752 /nfs/dbraw/zinc/13/77/52/572137752.db2.gz PBQZUUNNUZKRJQ-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO CC(C)C[N@H+](C)CC[C@@](C)(N)CO 82885310 572137791 /nfs/dbraw/zinc/13/77/91/572137791.db2.gz LKVKAKANXIQZRH-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)C[N@@H+](C)CC[C@@](C)(N)CO 82885310 572137793 /nfs/dbraw/zinc/13/77/93/572137793.db2.gz LKVKAKANXIQZRH-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)CN(C)CC[C@@](C)([NH3+])CO 82885310 572137795 /nfs/dbraw/zinc/13/77/95/572137795.db2.gz LKVKAKANXIQZRH-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO [NH3+][C@H](CO)CCN(CC1CC1)C1CC1 82897218 572139482 /nfs/dbraw/zinc/13/94/82/572139482.db2.gz RGYCOECBVRNYNR-JTQLQIEISA-N 1 3 198.310 0.571 10 0 ACAEHO CN[C@](C)(CO)C[C@H](C)[NH+](C)C 82885221 572137938 /nfs/dbraw/zinc/13/79/38/572137938.db2.gz QFNOIZNOKPIROX-IUCAKERBSA-N 1 3 174.288 0.297 10 0 ACAEHO C[C@@H](C[C@@](C)(N)CO)[N@H+](C)C1CC1 82885716 572137972 /nfs/dbraw/zinc/13/79/72/572137972.db2.gz BUYIBHPKNVZTOO-WCBMZHEXSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](C[C@@](C)(N)CO)[N@@H+](C)C1CC1 82885716 572137974 /nfs/dbraw/zinc/13/79/74/572137974.db2.gz BUYIBHPKNVZTOO-WCBMZHEXSA-N 1 3 186.299 0.569 10 0 ACAEHO CCN[C@@H](CO)CC[NH+]1CCCC1 82884218 572137983 /nfs/dbraw/zinc/13/79/83/572137983.db2.gz DQWPEMUJMDSUQK-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC[C@H](C)CN(C)C[C@H](C[NH3+])OC 300378754 572137992 /nfs/dbraw/zinc/13/79/92/572137992.db2.gz WECLCAQGPBDHIK-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO CCN[C@H](CO)CC[NH+](CC)CC 82884379 572138020 /nfs/dbraw/zinc/13/80/20/572138020.db2.gz IRPCLNKFGKNTGC-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CO[C@@H](CN)C[N@@H+]1CCC[C@H]1C 300376995 572138068 /nfs/dbraw/zinc/13/80/68/572138068.db2.gz NWOIOJBLTHYORF-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@@H](CN)C[N@H+]1CCC[C@H]1C 300376995 572138071 /nfs/dbraw/zinc/13/80/71/572138071.db2.gz NWOIOJBLTHYORF-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@@H]1C[C@H]1[NH2+]CC[C@H]1CNCCO1 300379343 572139493 /nfs/dbraw/zinc/13/94/93/572139493.db2.gz HEGLANXGAQAXIK-OUAUKWLOSA-N 1 3 198.310 0.753 10 0 ACAEHO [NH3+][C@@H](CO)CCN(CC1CC1)C1CC1 82897219 572139499 /nfs/dbraw/zinc/13/94/99/572139499.db2.gz RGYCOECBVRNYNR-SNVBAGLBSA-N 1 3 198.310 0.571 10 0 ACAEHO CC[C@H](C)N(C)CC[C@H]([NH3+])CO 82885362 572138167 /nfs/dbraw/zinc/13/81/67/572138167.db2.gz XODNQTLCOMWCDQ-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[N@H+](C)[C@H](C)C[C@@](C)(CO)NC 82885664 572138190 /nfs/dbraw/zinc/13/81/90/572138190.db2.gz HAJHTKBBDJICJE-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO CC[N@@H+](C)[C@H](C)C[C@@](C)(CO)NC 82885664 572138192 /nfs/dbraw/zinc/13/81/92/572138192.db2.gz HAJHTKBBDJICJE-ZJUUUORDSA-N 1 3 188.315 0.687 10 0 ACAEHO CCC[N@H+](C)CC[C@H](CO)NCC 82885536 572138223 /nfs/dbraw/zinc/13/82/23/572138223.db2.gz LMFIWCLTWRTJMP-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@@H+](C)CC[C@H](CO)NCC 82885536 572138228 /nfs/dbraw/zinc/13/82/28/572138228.db2.gz LMFIWCLTWRTJMP-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CCN(CC[C@@](C)([NH3+])CO)C(C)C 82885792 572138260 /nfs/dbraw/zinc/13/82/60/572138260.db2.gz KNYVRHCXSCLIAN-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO CCC[N@H+](C)CC[C@@](C)(CO)NC 82885493 572138354 /nfs/dbraw/zinc/13/83/54/572138354.db2.gz YMYSLCRHOVHPPI-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@@H+](C)CC[C@@](C)(CO)NC 82885493 572138356 /nfs/dbraw/zinc/13/83/56/572138356.db2.gz YMYSLCRHOVHPPI-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CN[C@H](CO)CC[N@@H+]1CCC[C@H]1C 82883595 572138373 /nfs/dbraw/zinc/13/83/73/572138373.db2.gz SEQAGPSLVPPDOV-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CN[C@H](CO)CC[N@H+]1CCC[C@H]1C 82883595 572138374 /nfs/dbraw/zinc/13/83/74/572138374.db2.gz SEQAGPSLVPPDOV-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+][C@H](CO)CCN1CCC[C@H]1C 82883595 572138375 /nfs/dbraw/zinc/13/83/75/572138375.db2.gz SEQAGPSLVPPDOV-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CCC[N@H+](C)CC[C@@H](CO)NCC 82885535 572138382 /nfs/dbraw/zinc/13/83/82/572138382.db2.gz LMFIWCLTWRTJMP-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@@H+](C)CC[C@@H](CO)NCC 82885535 572138383 /nfs/dbraw/zinc/13/83/83/572138383.db2.gz LMFIWCLTWRTJMP-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CC[N@H+](C)[C@@H](C)C[C@](C)(N)CO 82885627 572138426 /nfs/dbraw/zinc/13/84/26/572138426.db2.gz ZXTMIDYECJSXTL-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[N@@H+](C)[C@@H](C)C[C@](C)(N)CO 82885627 572138427 /nfs/dbraw/zinc/13/84/27/572138427.db2.gz ZXTMIDYECJSXTL-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)CN(C)CC[C@@H]([NH3+])CO 82885296 572138487 /nfs/dbraw/zinc/13/84/87/572138487.db2.gz DPPKHKCFDSHIQI-SECBINFHSA-N 1 3 174.288 0.284 10 0 ACAEHO CCN(CC[C@@H]([NH3+])CO)CC1CC1 82882232 572138502 /nfs/dbraw/zinc/13/85/02/572138502.db2.gz HHYLGVLUPZKGRN-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN[C@@](C)(CO)C[C@@H](C)[NH+](C)C 82885163 572138516 /nfs/dbraw/zinc/13/85/16/572138516.db2.gz AVKBJHJRKYUAEC-NXEZZACHSA-N 1 3 188.315 0.687 10 0 ACAEHO CCC[N@H+](C)[C@@H](C)C[C@](C)(N)CO 82885515 572138531 /nfs/dbraw/zinc/13/85/31/572138531.db2.gz ONSNRNKTJLXXHI-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO CCC[N@@H+](C)[C@@H](C)C[C@](C)(N)CO 82885515 572138534 /nfs/dbraw/zinc/13/85/34/572138534.db2.gz ONSNRNKTJLXXHI-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO CCCN(C)[C@@H](C)C[C@](C)([NH3+])CO 82885515 572138536 /nfs/dbraw/zinc/13/85/36/572138536.db2.gz ONSNRNKTJLXXHI-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@H](C)N(C)CC[NH2+][C@H](C)CN 300368887 572138631 /nfs/dbraw/zinc/13/86/31/572138631.db2.gz VDANXCWZZAHEAD-ZJUUUORDSA-N 1 3 187.331 0.654 10 0 ACAEHO C[NH+](C)CC[C@@](C)(CO)NC1CC1 82888297 572139510 /nfs/dbraw/zinc/13/95/10/572139510.db2.gz CVIHBMSRFXXPPY-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CO[C@H](CN)C[N@@H+]1CC[C@H](C)C1 300379143 572139516 /nfs/dbraw/zinc/13/95/16/572139516.db2.gz XHPOBNVSCASHTA-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CC(C)N(C)[C@H](C)C[C@](C)([NH3+])CO 82888229 572138783 /nfs/dbraw/zinc/13/87/83/572138783.db2.gz BNWZTGYBLBKLLD-ZJUUUORDSA-N 1 3 188.315 0.815 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 300361884 572138790 /nfs/dbraw/zinc/13/87/90/572138790.db2.gz JBCFZJKXRQDTKG-HBNTYKKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1C[C@@H]1CN(C)CC[C@H]([NH3+])CO 82887818 572138843 /nfs/dbraw/zinc/13/88/43/572138843.db2.gz SSBDGSCFFRYOLL-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO CN1CCC[C@@H]1CNC[C@H]1CCC[NH2+]1 300367522 572138865 /nfs/dbraw/zinc/13/88/65/572138865.db2.gz LAPGBBRIGZEFNN-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CCC[C@@H](C)N(C)CC[C@H]([NH3+])CO 82886874 572138889 /nfs/dbraw/zinc/13/88/89/572138889.db2.gz WGKJJMIUCDRIFZ-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CCN(CC)[C@@H](C)C[C@@](C)([NH3+])CO 82888139 572138922 /nfs/dbraw/zinc/13/89/22/572138922.db2.gz QXKFMVHOGAWSTG-VHSXEESVSA-N 1 3 188.315 0.817 10 0 ACAEHO CN(CC[C@H]([NH3+])CO)CC(C)(C)C 82896631 572138976 /nfs/dbraw/zinc/13/89/76/572138976.db2.gz LIDIUCMIXGIVIO-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO [NH3+][C@@H](CO)CCN1CCCCCC1 82888186 572139027 /nfs/dbraw/zinc/13/90/27/572139027.db2.gz OGALSWOBNJWSEL-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@@H]1CCN(CC[C@H]([NH3+])CO)C1 82887263 572139045 /nfs/dbraw/zinc/13/90/45/572139045.db2.gz BFNHJTOBJJMYTE-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]CC[C@H]1CNCCO1 300379345 572139054 /nfs/dbraw/zinc/13/90/54/572139054.db2.gz HEGLANXGAQAXIK-VWYCJHECSA-N 1 3 198.310 0.753 10 0 ACAEHO CCCN(CC[C@@H]([NH3+])CO)C1CC1 82886229 572139060 /nfs/dbraw/zinc/13/90/60/572139060.db2.gz UEIJVAAKUJCNKM-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCC[N@H+](C)CC[C@@](C)(N)CO 82888040 572139088 /nfs/dbraw/zinc/13/90/88/572139088.db2.gz JMUGROHQPQUDOP-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCCC[N@@H+](C)CC[C@@](C)(N)CO 82888040 572139090 /nfs/dbraw/zinc/13/90/90/572139090.db2.gz JMUGROHQPQUDOP-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CN[C@H](CO)CC[N@@H+]1CC[C@@H](C)C1 82887322 572139110 /nfs/dbraw/zinc/13/91/10/572139110.db2.gz JGVCSKDAXGRHDL-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@H](CO)CC[N@H+]1CC[C@@H](C)C1 82887322 572139112 /nfs/dbraw/zinc/13/91/12/572139112.db2.gz JGVCSKDAXGRHDL-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+][C@H](CO)CCN1CC[C@@H](C)C1 82887322 572139116 /nfs/dbraw/zinc/13/91/16/572139116.db2.gz JGVCSKDAXGRHDL-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)N(C)[C@@H](C)C[C@](C)([NH3+])CO 82888228 572139471 /nfs/dbraw/zinc/13/94/71/572139471.db2.gz BNWZTGYBLBKLLD-UWVGGRQHSA-N 1 3 188.315 0.815 10 0 ACAEHO CC[C@H](C)CN(C)CC[C@H]([NH3+])CO 82888404 572139189 /nfs/dbraw/zinc/13/91/89/572139189.db2.gz SJLVWHJPKNWZNH-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@H+](CC[C@@H](CO)NC)C1CC1 82888387 572139267 /nfs/dbraw/zinc/13/92/67/572139267.db2.gz NDLIHEWJOMSKBG-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+](CC[C@@H](CO)NC)C1CC1 82888387 572139269 /nfs/dbraw/zinc/13/92/69/572139269.db2.gz NDLIHEWJOMSKBG-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1CCN(CC[C@H]([NH3+])CO)C1 82887264 572139317 /nfs/dbraw/zinc/13/93/17/572139317.db2.gz BFNHJTOBJJMYTE-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H](C)N(C)CC[NH2+][C@H](C)CN 300368886 572139320 /nfs/dbraw/zinc/13/93/20/572139320.db2.gz VDANXCWZZAHEAD-NXEZZACHSA-N 1 3 187.331 0.654 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 300361882 572139372 /nfs/dbraw/zinc/13/93/72/572139372.db2.gz JBCFZJKXRQDTKG-AXFHLTTASA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]1OCC[C@]1(C)NCCC[NH3+] 235642455 572139411 /nfs/dbraw/zinc/13/94/11/572139411.db2.gz WNBLBADHOPCBPS-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]1OCC[C@]1(C)[NH2+]CCCN 235642455 572139413 /nfs/dbraw/zinc/13/94/13/572139413.db2.gz WNBLBADHOPCBPS-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO CC(C)[N@H+](C)CC[C@](C)(N)CO 82888226 572139686 /nfs/dbraw/zinc/13/96/86/572139686.db2.gz MGRZJKKHVFLZMP-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)[N@@H+](C)CC[C@](C)(N)CO 82888226 572139689 /nfs/dbraw/zinc/13/96/89/572139689.db2.gz MGRZJKKHVFLZMP-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO [NH3+][C@H](CO)CCN1CCCCCC1 82888185 572139763 /nfs/dbraw/zinc/13/97/63/572139763.db2.gz OGALSWOBNJWSEL-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO CO[C@H](CN)C[N@H+](C)C[C@H]1C[C@@H]1C 300379234 572139779 /nfs/dbraw/zinc/13/97/79/572139779.db2.gz YFPYNQPOAJPDIV-IVZWLZJFSA-N 1 3 186.299 0.548 10 0 ACAEHO CO[C@H](CN)C[N@@H+](C)C[C@H]1C[C@@H]1C 300379234 572139781 /nfs/dbraw/zinc/13/97/81/572139781.db2.gz YFPYNQPOAJPDIV-IVZWLZJFSA-N 1 3 186.299 0.548 10 0 ACAEHO CO[C@H](C[NH3+])CN(C)C[C@H]1C[C@@H]1C 300379234 572139783 /nfs/dbraw/zinc/13/97/83/572139783.db2.gz YFPYNQPOAJPDIV-IVZWLZJFSA-N 1 3 186.299 0.548 10 0 ACAEHO CCCC[N@H+](C)CC[C@](C)(N)CO 82888039 572140095 /nfs/dbraw/zinc/14/00/95/572140095.db2.gz JMUGROHQPQUDOP-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCCC[N@@H+](C)CC[C@](C)(N)CO 82888039 572140096 /nfs/dbraw/zinc/14/00/96/572140096.db2.gz JMUGROHQPQUDOP-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CN(CC[C@](C)([NH3+])CO)CC1CC1 82887160 572140209 /nfs/dbraw/zinc/14/02/09/572140209.db2.gz MGTACZDZOKETPC-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@H+](CC[C@](C)(N)CO)CC1CC1 82887160 572140212 /nfs/dbraw/zinc/14/02/12/572140212.db2.gz MGTACZDZOKETPC-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CC[C@](C)(N)CO)CC1CC1 82887160 572140215 /nfs/dbraw/zinc/14/02/15/572140215.db2.gz MGTACZDZOKETPC-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CC[C@@H]([NH3+])CO)CC1CC1 82887145 572140325 /nfs/dbraw/zinc/14/03/25/572140325.db2.gz RSSROWFXOJFZNT-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CO[C@@H](CN)C[N@@H+]1CC[C@H](C)C1 300379144 572140327 /nfs/dbraw/zinc/14/03/27/572140327.db2.gz XHPOBNVSCASHTA-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO CO[C@@H](CN)C[N@H+]1CC[C@H](C)C1 300379144 572140329 /nfs/dbraw/zinc/14/03/29/572140329.db2.gz XHPOBNVSCASHTA-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO CN(CC[C@H]([NH3+])CO)CC1CC1 82887144 572140368 /nfs/dbraw/zinc/14/03/68/572140368.db2.gz RSSROWFXOJFZNT-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CCCN(CC)CC[C@H](CO)[NH2+]C 82886211 572140402 /nfs/dbraw/zinc/14/04/02/572140402.db2.gz KIZCWOWISYWNEI-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CC[NH+](CC)CC[C@](C)(N)CO 82888131 572140422 /nfs/dbraw/zinc/14/04/22/572140422.db2.gz RXWPIFCAEYVUPM-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CO[C@H](CN)C[NH+]1C[C@@H]2CCC[C@H]2C1 300378831 572140428 /nfs/dbraw/zinc/14/04/28/572140428.db2.gz WUPJYOUZEONZRL-GARJFASQSA-N 1 3 198.310 0.692 10 0 ACAEHO CN1CCC[C@H]1CNC[C@H]1CCC[NH2+]1 300367523 572140549 /nfs/dbraw/zinc/14/05/49/572140549.db2.gz LAPGBBRIGZEFNN-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CO[C@H](CN)C[N@H+](C)C[C@H]1C[C@H]1C 300379238 572140471 /nfs/dbraw/zinc/14/04/71/572140471.db2.gz YFPYNQPOAJPDIV-OPRDCNLKSA-N 1 3 186.299 0.548 10 0 ACAEHO CO[C@H](CN)C[N@@H+](C)C[C@H]1C[C@H]1C 300379238 572140473 /nfs/dbraw/zinc/14/04/73/572140473.db2.gz YFPYNQPOAJPDIV-OPRDCNLKSA-N 1 3 186.299 0.548 10 0 ACAEHO CO[C@H](C[NH3+])CN(C)C[C@H]1C[C@H]1C 300379238 572140477 /nfs/dbraw/zinc/14/04/77/572140477.db2.gz YFPYNQPOAJPDIV-OPRDCNLKSA-N 1 3 186.299 0.548 10 0 ACAEHO C[NH2+][C@@](C)(CO)CCN1CCCC1 82888102 572140491 /nfs/dbraw/zinc/14/04/91/572140491.db2.gz ASKAJPWCQWJUHN-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CN[C@@](C)(CO)CC[NH+]1CCCC1 82888102 572140496 /nfs/dbraw/zinc/14/04/96/572140496.db2.gz ASKAJPWCQWJUHN-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC[C@@H]1C[C@@H]1NC[C@H](C[NH3+])OC 300379172 572140520 /nfs/dbraw/zinc/14/05/20/572140520.db2.gz XYRSQSCLHWGSHV-VGMNWLOBSA-N 1 3 172.272 0.348 10 0 ACAEHO CC(C)[N@@H+](C)CC[C@@](C)(N)CO 82888227 572140854 /nfs/dbraw/zinc/14/08/54/572140854.db2.gz MGRZJKKHVFLZMP-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO CN[C@H](CO)CC[NH+]1CCCC1 82888108 572140584 /nfs/dbraw/zinc/14/05/84/572140584.db2.gz UFGUGJWJNCDRCI-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC[NH+](CC)CC[C@@](C)(N)CO 82888133 572140602 /nfs/dbraw/zinc/14/06/02/572140602.db2.gz RXWPIFCAEYVUPM-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(CC)CC[C@@H](CO)[NH2+]C 82886210 572140628 /nfs/dbraw/zinc/14/06/28/572140628.db2.gz KIZCWOWISYWNEI-JTQLQIEISA-N 1 3 188.315 0.689 10 0 ACAEHO CCC[N@H+](CC)CC[C@](C)(N)CO 82886155 572140644 /nfs/dbraw/zinc/14/06/44/572140644.db2.gz MBRMYCHNXAGSSZ-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCC[N@@H+](CC)CC[C@](C)(N)CO 82886155 572140648 /nfs/dbraw/zinc/14/06/48/572140648.db2.gz MBRMYCHNXAGSSZ-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCCN(CC)CC[C@](C)([NH3+])CO 82886155 572140651 /nfs/dbraw/zinc/14/06/51/572140651.db2.gz MBRMYCHNXAGSSZ-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCN(CC)[C@@H](C)C[C@](C)([NH3+])CO 82888136 572140712 /nfs/dbraw/zinc/14/07/12/572140712.db2.gz QXKFMVHOGAWSTG-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO CO[C@H](CN)C[N@H+](C)C[C@@H]1C[C@H]1C 300379236 572140769 /nfs/dbraw/zinc/14/07/69/572140769.db2.gz YFPYNQPOAJPDIV-KXUCPTDWSA-N 1 3 186.299 0.548 10 0 ACAEHO CO[C@H](CN)C[N@@H+](C)C[C@@H]1C[C@H]1C 300379236 572140771 /nfs/dbraw/zinc/14/07/71/572140771.db2.gz YFPYNQPOAJPDIV-KXUCPTDWSA-N 1 3 186.299 0.548 10 0 ACAEHO CO[C@H](C[NH3+])CN(C)C[C@@H]1C[C@H]1C 300379236 572140776 /nfs/dbraw/zinc/14/07/76/572140776.db2.gz YFPYNQPOAJPDIV-KXUCPTDWSA-N 1 3 186.299 0.548 10 0 ACAEHO CC[C@H]1CN(C)CCCN1C1C[NH2+]C1 234063356 572140817 /nfs/dbraw/zinc/14/08/17/572140817.db2.gz BAGLPRMNERXSFY-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CC[N@H+](CC[C@](C)(N)CO)C1 82887277 572140894 /nfs/dbraw/zinc/14/08/94/572140894.db2.gz OJIJCSUCWOQVFQ-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)[N@H+](C)CC[C@@](C)(N)CO 82888227 572140852 /nfs/dbraw/zinc/14/08/52/572140852.db2.gz MGRZJKKHVFLZMP-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC[C@](C)(N)CO)C1 82887277 572140896 /nfs/dbraw/zinc/14/08/96/572140896.db2.gz OJIJCSUCWOQVFQ-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CCN(CC[C@](C)([NH3+])CO)C1 82887277 572140897 /nfs/dbraw/zinc/14/08/97/572140897.db2.gz OJIJCSUCWOQVFQ-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH+](C)CC[C@](C)(CO)NC1CC1 82888296 572141070 /nfs/dbraw/zinc/14/10/70/572141070.db2.gz CVIHBMSRFXXPPY-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CN(CC[C@@H]([NH3+])CO)CC(C)(C)C 82896632 572141490 /nfs/dbraw/zinc/14/14/90/572141490.db2.gz LIDIUCMIXGIVIO-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO CCCN(CC)CC[C@@H]([NH3+])CO 82886144 572141234 /nfs/dbraw/zinc/14/12/34/572141234.db2.gz HVOFQXJCXIKYOF-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@H](C)N(C)C[C@H](C[NH3+])OC 300374457 572141269 /nfs/dbraw/zinc/14/12/69/572141269.db2.gz APXSZCDRZGLZLR-IUCAKERBSA-N 1 3 174.288 0.690 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[NH2+]CC1(CN)CC1 300372281 572141292 /nfs/dbraw/zinc/14/12/92/572141292.db2.gz MMKCTNVKSSDZFH-UWVGGRQHSA-N 1 3 198.310 0.882 10 0 ACAEHO CCC[C@H](C)N(C)CC[C@H]([NH3+])CO 82886875 572141312 /nfs/dbraw/zinc/14/13/12/572141312.db2.gz WGKJJMIUCDRIFZ-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H]1C[C@H]1CN(C)CC[C@H]([NH3+])CO 82887820 572141335 /nfs/dbraw/zinc/14/13/35/572141335.db2.gz SSBDGSCFFRYOLL-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](O)CCC[NH2+][C@H]1CC[C@H](N)C1 300374507 572141350 /nfs/dbraw/zinc/14/13/50/572141350.db2.gz BDSRDRYXYPDJKJ-GUBZILKMSA-N 1 3 186.299 0.617 10 0 ACAEHO CN(CC[C@@](C)([NH3+])CO)CC1CC1 82887159 572141352 /nfs/dbraw/zinc/14/13/52/572141352.db2.gz MGTACZDZOKETPC-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CCCN[C@H]1CC[C@H]([NH3+])C1 300374507 572141354 /nfs/dbraw/zinc/14/13/54/572141354.db2.gz BDSRDRYXYPDJKJ-GUBZILKMSA-N 1 3 186.299 0.617 10 0 ACAEHO C[N@H+](CC[C@@](C)(N)CO)CC1CC1 82887159 572141355 /nfs/dbraw/zinc/14/13/55/572141355.db2.gz MGTACZDZOKETPC-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CC[C@@](C)(N)CO)CC1CC1 82887159 572141357 /nfs/dbraw/zinc/14/13/57/572141357.db2.gz MGTACZDZOKETPC-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN(CC)[C@H](C)C[C@@](C)([NH3+])CO 82888140 572141396 /nfs/dbraw/zinc/14/13/96/572141396.db2.gz QXKFMVHOGAWSTG-NXEZZACHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[N@H+](CC[C@H](CO)NC)C1CC1 82888388 572141575 /nfs/dbraw/zinc/14/15/75/572141575.db2.gz NDLIHEWJOMSKBG-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+](CC[C@H](CO)NC)C1CC1 82888388 572141578 /nfs/dbraw/zinc/14/15/78/572141578.db2.gz NDLIHEWJOMSKBG-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1CC[N@H+](CC[C@](C)(N)CO)C1 82887278 572141618 /nfs/dbraw/zinc/14/16/18/572141618.db2.gz OJIJCSUCWOQVFQ-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[N@@H+](CC[C@](C)(N)CO)C1 82887278 572141620 /nfs/dbraw/zinc/14/16/20/572141620.db2.gz OJIJCSUCWOQVFQ-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CCN(CC[C@](C)([NH3+])CO)C1 82887278 572141622 /nfs/dbraw/zinc/14/16/22/572141622.db2.gz OJIJCSUCWOQVFQ-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](C1CC1)N(C)CC[C@H]([NH3+])CO 82886717 572141693 /nfs/dbraw/zinc/14/16/93/572141693.db2.gz YUCRWGKLPKBNJS-WPRPVWTQSA-N 1 3 186.299 0.426 10 0 ACAEHO CCCN(CC)CC[C@H]([NH3+])CO 82886143 572141740 /nfs/dbraw/zinc/14/17/40/572141740.db2.gz HVOFQXJCXIKYOF-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@@H](C)CN(C)CC[C@H]([NH3+])CO 82888403 572141765 /nfs/dbraw/zinc/14/17/65/572141765.db2.gz SJLVWHJPKNWZNH-ZJUUUORDSA-N 1 3 188.315 0.674 10 0 ACAEHO C[NH2+][C@H](CO)CCN(C)CC1CC1 82887221 572141823 /nfs/dbraw/zinc/14/18/23/572141823.db2.gz PCRCPFMQEPRQLK-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@@H](CO)CC[NH+]1CCCC1 82888109 572141855 /nfs/dbraw/zinc/14/18/55/572141855.db2.gz UFGUGJWJNCDRCI-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)CN 300373106 572142292 /nfs/dbraw/zinc/14/22/92/572142292.db2.gz ADLLFKOOIMHYHK-YIZRAAEISA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)CN 300373105 572142369 /nfs/dbraw/zinc/14/23/69/572142369.db2.gz ADLLFKOOIMHYHK-IWSPIJDZSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@@H](C)N(C)C[C@H](C[NH3+])OC 300374456 572142461 /nfs/dbraw/zinc/14/24/61/572142461.db2.gz APXSZCDRZGLZLR-BDAKNGLRSA-N 1 3 174.288 0.690 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@H]1CCO[C@H]1C 300371716 572142484 /nfs/dbraw/zinc/14/24/84/572142484.db2.gz FHKFENBRNONTKY-KXUCPTDWSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H]([NH2+]C[C@@H](O)CN)c1ccccc1 71506911 572142854 /nfs/dbraw/zinc/14/28/54/572142854.db2.gz MPPQSLMEXVKENX-ONGXEEELSA-N 1 3 194.278 0.657 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@@H]1CCO[C@H]1C 300372571 572143000 /nfs/dbraw/zinc/14/30/00/572143000.db2.gz FZAHCRWYUQCPAD-GUBZILKMSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+]CCN(C)[C@@H]1CCN(C2CC2)C1 69801072 572142894 /nfs/dbraw/zinc/14/28/94/572142894.db2.gz UXKOJZMVOVQMFV-LLVKDONJSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+]CCN(C)[C@H]1CCN(C2CC2)C1 69801074 572142911 /nfs/dbraw/zinc/14/29/11/572142911.db2.gz UXKOJZMVOVQMFV-NSHDSACASA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@H]1CCO[C@H]1C 300372573 572143031 /nfs/dbraw/zinc/14/30/31/572143031.db2.gz FZAHCRWYUQCPAD-LPEHRKFASA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@@H](C[NH3+])CN1CCCC[C@H]1C 300374459 572143122 /nfs/dbraw/zinc/14/31/22/572143122.db2.gz ARMFHJCMFZDLRJ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@@H]1CCO[C@H]1C 300371717 572143405 /nfs/dbraw/zinc/14/34/05/572143405.db2.gz FHKFENBRNONTKY-UTLUCORTSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)NCCC[NH3+] 300372380 572143452 /nfs/dbraw/zinc/14/34/52/572143452.db2.gz WNBLBADHOPCBPS-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[NH2+]CCCN 300372380 572143455 /nfs/dbraw/zinc/14/34/55/572143455.db2.gz WNBLBADHOPCBPS-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]([NH2+]C[C@H](O)CN)c1ccccc1 71506910 572143615 /nfs/dbraw/zinc/14/36/15/572143615.db2.gz MPPQSLMEXVKENX-MWLCHTKSSA-N 1 3 194.278 0.657 10 0 ACAEHO C[C@H]([NH2+]C[C@H](O)CN)c1ccccc1 71506909 572143629 /nfs/dbraw/zinc/14/36/29/572143629.db2.gz MPPQSLMEXVKENX-GXSJLCMTSA-N 1 3 194.278 0.657 10 0 ACAEHO C[C@@H]([NH2+]C[C@@H](O)CN)c1ccccc1 71506912 572143704 /nfs/dbraw/zinc/14/37/04/572143704.db2.gz MPPQSLMEXVKENX-KOLCDFICSA-N 1 3 194.278 0.657 10 0 ACAEHO C[C@H](O)CCC[NH2+][C@@H]1CC[C@H](N)C1 300374508 572143705 /nfs/dbraw/zinc/14/37/05/572143705.db2.gz BDSRDRYXYPDJKJ-LPEHRKFASA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CCCN[C@@H]1CC[C@H]([NH3+])C1 300374508 572143707 /nfs/dbraw/zinc/14/37/07/572143707.db2.gz BDSRDRYXYPDJKJ-LPEHRKFASA-N 1 3 186.299 0.617 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)CN 300373104 572143748 /nfs/dbraw/zinc/14/37/48/572143748.db2.gz ADLLFKOOIMHYHK-HLTSFMKQSA-N 1 3 156.273 0.969 10 0 ACAEHO CO[C@H](C[NH3+])CN1CCCC[C@H]1C 300374458 572143907 /nfs/dbraw/zinc/14/39/07/572143907.db2.gz ARMFHJCMFZDLRJ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C 300382056 572144340 /nfs/dbraw/zinc/14/43/40/572144340.db2.gz GCBCKTVZHAZURS-IWSPIJDZSA-N 1 3 186.299 0.737 10 0 ACAEHO CO[C@@H](C[NH3+])CN(C)[C@H](C)C1CC1 300379647 572144565 /nfs/dbraw/zinc/14/45/65/572144565.db2.gz YTCGCAHKSHJWKU-SCZZXKLOSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H](C)CN 300385372 572144732 /nfs/dbraw/zinc/14/47/32/572144732.db2.gz YKDFLNILNPGMCV-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)NC[C@H](C)C[NH3+] 300385372 572144733 /nfs/dbraw/zinc/14/47/33/572144733.db2.gz YKDFLNILNPGMCV-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+]CCCCN1CCO[C@H](C)C1 37477881 572144834 /nfs/dbraw/zinc/14/48/34/572144834.db2.gz QGMOMTCCNRKZMY-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@@H]1C[C@@H]1NCC1([NH3+])CCOCC1 300381992 572145002 /nfs/dbraw/zinc/14/50/02/572145002.db2.gz KALHERBHYKXQJG-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO CO[C@H]1CCC[C@H]1[N@@H+]1CCC[C@H](N)C1 70585255 572145263 /nfs/dbraw/zinc/14/52/63/572145263.db2.gz GVQXAEQGIWVPNP-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CCC[C@H]1[N@H+]1CCC[C@H](N)C1 70585255 572145264 /nfs/dbraw/zinc/14/52/64/572145264.db2.gz GVQXAEQGIWVPNP-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](N)C1 70585253 572145332 /nfs/dbraw/zinc/14/53/32/572145332.db2.gz GVQXAEQGIWVPNP-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CCC[C@@H]1[N@H+]1CCC[C@H](N)C1 70585253 572145335 /nfs/dbraw/zinc/14/53/35/572145335.db2.gz GVQXAEQGIWVPNP-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO CCN1CCN(CCCC[NH2+]C)CC1 37477914 572145690 /nfs/dbraw/zinc/14/56/90/572145690.db2.gz KIFHLDZMGPYRRX-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO CC(C)[NH2+]CCN1CCCN(C)CC1 37477274 572145719 /nfs/dbraw/zinc/14/57/19/572145719.db2.gz IZVLWCYUBIDRAX-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H]([NH3+])CCN[C@@]1(C)CCO[C@H]1C 300376462 572145805 /nfs/dbraw/zinc/14/58/05/572145805.db2.gz QKUQWRASPMYUOP-GUBZILKMSA-N 1 3 186.299 0.881 10 0 ACAEHO CO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C 300382055 572145898 /nfs/dbraw/zinc/14/58/98/572145898.db2.gz GCBCKTVZHAZURS-HRDYMLBCSA-N 1 3 186.299 0.737 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H](C)CN 300385371 572146172 /nfs/dbraw/zinc/14/61/72/572146172.db2.gz YKDFLNILNPGMCV-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)NC[C@H](C)C[NH3+] 300385371 572146176 /nfs/dbraw/zinc/14/61/76/572146176.db2.gz YKDFLNILNPGMCV-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H]([NH3+])CCN[C@]1(C)CCO[C@H]1C 300376463 572146224 /nfs/dbraw/zinc/14/62/24/572146224.db2.gz QKUQWRASPMYUOP-LPEHRKFASA-N 1 3 186.299 0.881 10 0 ACAEHO C[NH2+]CCCCN1CCO[C@@H](C)C1 37477882 572146569 /nfs/dbraw/zinc/14/65/69/572146569.db2.gz QGMOMTCCNRKZMY-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CN(CC(C)(C)C)C[C@](C)(O)C[NH3+] 82906182 572146620 /nfs/dbraw/zinc/14/66/20/572146620.db2.gz AYEQDLALOKTVAE-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CO[C@H](C[NH3+])CN(C)[C@H](C)C1CC1 300379645 572146765 /nfs/dbraw/zinc/14/67/65/572146765.db2.gz YTCGCAHKSHJWKU-PSASIEDQSA-N 1 3 186.299 0.690 10 0 ACAEHO CCCCCN(C)C[C@@](C)(O)C[NH3+] 82905629 572146838 /nfs/dbraw/zinc/14/68/38/572146838.db2.gz OMOSNXACKVRZHM-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCCN(C[C@](C)(O)C[NH3+])C1CC1 82905624 572146966 /nfs/dbraw/zinc/14/69/66/572146966.db2.gz ASWYKSCRYSKEIM-SNVBAGLBSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H]1C[C@@H]1NC[C@H]([NH3+])CCOC 300383768 572147201 /nfs/dbraw/zinc/14/72/01/572147201.db2.gz LVEDAWGYEVQZPB-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO CC(C)CCN(C)C[C@](C)(O)C[NH3+] 82906266 572149202 /nfs/dbraw/zinc/14/92/02/572149202.db2.gz LNCAKYJAUCTUCZ-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)CN 300385182 572147485 /nfs/dbraw/zinc/14/74/85/572147485.db2.gz QLWUKHSGTLSSMG-UTLUCORTSA-N 1 3 186.299 0.596 10 0 ACAEHO CN(CC1CC1)C[C@](C)(O)C[NH3+] 82905898 572147637 /nfs/dbraw/zinc/14/76/37/572147637.db2.gz RUVAJXUGTNIUJB-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CCCN(C[C@@](C)(O)C[NH3+])C1CC1 82905625 572147768 /nfs/dbraw/zinc/14/77/68/572147768.db2.gz ASWYKSCRYSKEIM-JTQLQIEISA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H]1C[C@@H]1NC[C@@H]([NH3+])CCOC 300383772 572147774 /nfs/dbraw/zinc/14/77/74/572147774.db2.gz LVEDAWGYEVQZPB-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO CC[N@H+](C[C@](O)(CN)C1CC1)C1CC1 82905607 572147854 /nfs/dbraw/zinc/14/78/54/572147854.db2.gz SACOZUFNCQMDIC-LLVKDONJSA-N 1 3 198.310 0.571 10 0 ACAEHO CC[N@@H+](C[C@](O)(CN)C1CC1)C1CC1 82905607 572147855 /nfs/dbraw/zinc/14/78/55/572147855.db2.gz SACOZUFNCQMDIC-LLVKDONJSA-N 1 3 198.310 0.571 10 0 ACAEHO CCN(C[C@](O)(C[NH3+])C1CC1)C1CC1 82905607 572147857 /nfs/dbraw/zinc/14/78/57/572147857.db2.gz SACOZUFNCQMDIC-LLVKDONJSA-N 1 3 198.310 0.571 10 0 ACAEHO C[NH2+]CCCCN1CCOC[C@@H]1C 37477960 572147900 /nfs/dbraw/zinc/14/79/00/572147900.db2.gz XREMTZQIZPLHAO-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CC[N@H+](C[C@](C)(O)CN)C1CC1 82905596 572147926 /nfs/dbraw/zinc/14/79/26/572147926.db2.gz JDJIKWCSISUPAL-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](C[C@](C)(O)CN)C1CC1 82905596 572147929 /nfs/dbraw/zinc/14/79/29/572147929.db2.gz JDJIKWCSISUPAL-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(C[C@](C)(O)C[NH3+])C1CC1 82905596 572147932 /nfs/dbraw/zinc/14/79/32/572147932.db2.gz JDJIKWCSISUPAL-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H]1C[C@H]1NC[C@H]([NH3+])CCOC 300383770 572149236 /nfs/dbraw/zinc/14/92/36/572149236.db2.gz LVEDAWGYEVQZPB-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO CN(CC(C)(C)C)C[C@@](C)(O)C[NH3+] 82906183 572148153 /nfs/dbraw/zinc/14/81/53/572148153.db2.gz AYEQDLALOKTVAE-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CO[C@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C 300384748 572148159 /nfs/dbraw/zinc/14/81/59/572148159.db2.gz JOZFSVNPXZKQPV-BDAKNGLRSA-N 1 3 198.310 0.881 10 0 ACAEHO CC[N@H+](C[C@@](O)(CN)C1CC1)C1CC1 82905606 572148218 /nfs/dbraw/zinc/14/82/18/572148218.db2.gz SACOZUFNCQMDIC-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO CC[N@@H+](C[C@@](O)(CN)C1CC1)C1CC1 82905606 572148222 /nfs/dbraw/zinc/14/82/22/572148222.db2.gz SACOZUFNCQMDIC-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO CCN(C[C@@](O)(C[NH3+])C1CC1)C1CC1 82905606 572148225 /nfs/dbraw/zinc/14/82/25/572148225.db2.gz SACOZUFNCQMDIC-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO CC[N@H+](C[C@@](C)(O)CN)C1CC1 82905597 572148255 /nfs/dbraw/zinc/14/82/55/572148255.db2.gz JDJIKWCSISUPAL-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](C[C@@](C)(O)CN)C1CC1 82905597 572148257 /nfs/dbraw/zinc/14/82/57/572148257.db2.gz JDJIKWCSISUPAL-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(C[C@@](C)(O)C[NH3+])C1CC1 82905597 572148261 /nfs/dbraw/zinc/14/82/61/572148261.db2.gz JDJIKWCSISUPAL-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](C)CN 300385181 572148568 /nfs/dbraw/zinc/14/85/68/572148568.db2.gz QLWUKHSGTLSSMG-KXUCPTDWSA-N 1 3 186.299 0.596 10 0 ACAEHO CCN1CCN(CC[NH2+]C2CC2)CC1 37476709 572148732 /nfs/dbraw/zinc/14/87/32/572148732.db2.gz BXURRODYYVDTSU-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO C[NH2+]CCCCN1CCOC[C@H]1C 37477959 572148802 /nfs/dbraw/zinc/14/88/02/572148802.db2.gz XREMTZQIZPLHAO-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CN1CCCN(CC[NH2+]C2CC2)CC1 37476717 572148882 /nfs/dbraw/zinc/14/88/82/572148882.db2.gz XVBKLTILLJYZHE-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@@H]1OCC[C@@H]1C[NH2+]CC1CNC1 300384661 572148955 /nfs/dbraw/zinc/14/89/55/572148955.db2.gz QDBANPQVUSYKCR-WCBMZHEXSA-N 1 3 184.283 0.220 10 0 ACAEHO CO[C@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C 300384750 572149062 /nfs/dbraw/zinc/14/90/62/572149062.db2.gz JOZFSVNPXZKQPV-IUCAKERBSA-N 1 3 198.310 0.881 10 0 ACAEHO CC(C)N(C)C[C@@](O)(C[NH3+])C1CC1 82915410 572149623 /nfs/dbraw/zinc/14/96/23/572149623.db2.gz HHJFMXIAPZWLKU-JTQLQIEISA-N 1 3 186.299 0.426 10 0 ACAEHO C[NH+](C)C[C@](O)(CN)c1ccccc1 82915484 572149787 /nfs/dbraw/zinc/14/97/87/572149787.db2.gz ALXRZHBUPRRYJG-LLVKDONJSA-N 1 3 194.278 0.395 10 0 ACAEHO CCN(CC)C[C@](O)(C[NH3+])C1CC1 82915295 572150115 /nfs/dbraw/zinc/15/01/15/572150115.db2.gz UBWVAEYITSFWAJ-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN(CC)C[C@@](O)(C[NH3+])C1CC1 82915294 572150147 /nfs/dbraw/zinc/15/01/47/572150147.db2.gz UBWVAEYITSFWAJ-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO [NH3+]C[C@@](O)(CN1CCCCC1)C1CC1 82906661 572150154 /nfs/dbraw/zinc/15/01/54/572150154.db2.gz LDNJQITVDSMKIJ-LLVKDONJSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@](O)(C[NH+]1CCCC1)C1CC1 82915266 572150166 /nfs/dbraw/zinc/15/01/66/572150166.db2.gz QHUREYURRAEGDZ-JTQLQIEISA-N 1 3 184.283 0.182 10 0 ACAEHO CO[C@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C 300385717 572150215 /nfs/dbraw/zinc/15/02/15/572150215.db2.gz KPPJSHIVYQARBC-ZJUUUORDSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C 300385717 572150218 /nfs/dbraw/zinc/15/02/18/572150218.db2.gz KPPJSHIVYQARBC-ZJUUUORDSA-N 1 3 198.310 0.609 10 0 ACAEHO CCCCN(C)C[C@](C)(O)C[NH3+] 82915140 572151122 /nfs/dbraw/zinc/15/11/22/572151122.db2.gz BVUIAXNECJDIKN-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO NC[C@@](O)(C[NH+]1CCCC1)C1CC1 82915267 572150230 /nfs/dbraw/zinc/15/02/30/572150230.db2.gz QHUREYURRAEGDZ-SNVBAGLBSA-N 1 3 184.283 0.182 10 0 ACAEHO CC[N@H+](C)C[C@@](O)(CN)C1CC1 82915576 572150279 /nfs/dbraw/zinc/15/02/79/572150279.db2.gz GUECYAXTRNNAEA-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CC[N@@H+](C)C[C@@](O)(CN)C1CC1 82915576 572150282 /nfs/dbraw/zinc/15/02/82/572150282.db2.gz GUECYAXTRNNAEA-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CCN(C)C[C@@](O)(C[NH3+])C1CC1 82915576 572150286 /nfs/dbraw/zinc/15/02/86/572150286.db2.gz GUECYAXTRNNAEA-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CCCN(C)C[C@](O)(C[NH3+])C1CC1 82915561 572150326 /nfs/dbraw/zinc/15/03/26/572150326.db2.gz GSBUUBSFLOGGHW-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@](O)(C[NH3+])CN(CC1CC1)C1CC1 82906355 572150344 /nfs/dbraw/zinc/15/03/44/572150344.db2.gz QECDOSFIUWATLW-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO CC(C)N(C)C[C@](O)(C[NH3+])C1CC1 82915411 572150373 /nfs/dbraw/zinc/15/03/73/572150373.db2.gz HHJFMXIAPZWLKU-SNVBAGLBSA-N 1 3 186.299 0.426 10 0 ACAEHO CN(C[C@](O)(C[NH3+])C1CC1)C1CC1 82915595 572150611 /nfs/dbraw/zinc/15/06/11/572150611.db2.gz DWBBJYQFQVGTAK-SNVBAGLBSA-N 1 3 184.283 0.180 10 0 ACAEHO C[N@H+](C[C@](O)(CN)C1CC1)C1CC1 82915595 572150613 /nfs/dbraw/zinc/15/06/13/572150613.db2.gz DWBBJYQFQVGTAK-SNVBAGLBSA-N 1 3 184.283 0.180 10 0 ACAEHO C[N@@H+](C[C@](O)(CN)C1CC1)C1CC1 82915595 572150614 /nfs/dbraw/zinc/15/06/14/572150614.db2.gz DWBBJYQFQVGTAK-SNVBAGLBSA-N 1 3 184.283 0.180 10 0 ACAEHO CC[N@H+](C)C[C@](O)(CN)C1CC1 82915577 572150646 /nfs/dbraw/zinc/15/06/46/572150646.db2.gz GUECYAXTRNNAEA-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[N@@H+](C)C[C@](O)(CN)C1CC1 82915577 572150648 /nfs/dbraw/zinc/15/06/48/572150648.db2.gz GUECYAXTRNNAEA-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CCN(C)C[C@](O)(C[NH3+])C1CC1 82915577 572150650 /nfs/dbraw/zinc/15/06/50/572150650.db2.gz GUECYAXTRNNAEA-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO C[NH+](C)C[C@@](O)(CN)c1ccccc1 82915483 572150657 /nfs/dbraw/zinc/15/06/57/572150657.db2.gz ALXRZHBUPRRYJG-NSHDSACASA-N 1 3 194.278 0.395 10 0 ACAEHO CC(C)CCN(C)C[C@@](C)(O)C[NH3+] 82906267 572150686 /nfs/dbraw/zinc/15/06/86/572150686.db2.gz LNCAKYJAUCTUCZ-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CO[C@@H]1CCC[C@H]([NH2+]CCCN)C1 69847964 572150711 /nfs/dbraw/zinc/15/07/11/572150711.db2.gz UKTIZGGKKRLWQH-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@@H]1CCC[C@@H]([NH2+]CCCN)C1 69847969 572150766 /nfs/dbraw/zinc/15/07/66/572150766.db2.gz UKTIZGGKKRLWQH-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO [NH3+]C[C@](O)(CN1CCCCC1)C1CC1 82906660 572150809 /nfs/dbraw/zinc/15/08/09/572150809.db2.gz LDNJQITVDSMKIJ-NSHDSACASA-N 1 3 198.310 0.572 10 0 ACAEHO CN(CC1CC1)C[C@@](C)(O)C[NH3+] 82906870 572150915 /nfs/dbraw/zinc/15/09/15/572150915.db2.gz RUVAJXUGTNIUJB-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@](O)(C[NH3+])CN(CC1CC1)C1CC1 82906354 572150956 /nfs/dbraw/zinc/15/09/56/572150956.db2.gz QECDOSFIUWATLW-LLVKDONJSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@H]1C[C@H]1CN(C)C[C@](C)(O)C[NH3+] 82906572 572151022 /nfs/dbraw/zinc/15/10/22/572151022.db2.gz GFCLDFQBEXSNRV-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO CN(C[C@@](O)(C[NH3+])C1CC1)C1CC1 82915594 572151070 /nfs/dbraw/zinc/15/10/70/572151070.db2.gz DWBBJYQFQVGTAK-JTQLQIEISA-N 1 3 184.283 0.180 10 0 ACAEHO C[N@H+](C[C@@](O)(CN)C1CC1)C1CC1 82915594 572151072 /nfs/dbraw/zinc/15/10/72/572151072.db2.gz DWBBJYQFQVGTAK-JTQLQIEISA-N 1 3 184.283 0.180 10 0 ACAEHO C[N@@H+](C[C@@](O)(CN)C1CC1)C1CC1 82915594 572151075 /nfs/dbraw/zinc/15/10/75/572151075.db2.gz DWBBJYQFQVGTAK-JTQLQIEISA-N 1 3 184.283 0.180 10 0 ACAEHO CCCN(C)C[C@@](O)(C[NH3+])C1CC1 82915560 572151103 /nfs/dbraw/zinc/15/11/03/572151103.db2.gz GSBUUBSFLOGGHW-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO CCCCN(C)C[C@@](C)(O)C[NH3+] 82915141 572151276 /nfs/dbraw/zinc/15/12/76/572151276.db2.gz BVUIAXNECJDIKN-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@@H]1C[C@@H]1NCCC[NH2+]C 300388201 572151289 /nfs/dbraw/zinc/15/12/89/572151289.db2.gz QIFJIIDENATOJM-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]CCCNC 300388201 572151290 /nfs/dbraw/zinc/15/12/90/572151290.db2.gz QIFJIIDENATOJM-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CCN(CC)C[C@@](C)(O)C[NH3+] 82915283 572151347 /nfs/dbraw/zinc/15/13/47/572151347.db2.gz ZOWKPZQLABRPKI-QMMMGPOBSA-N 1 3 160.261 0.038 10 0 ACAEHO CCCCCN(C)C[C@](C)(O)C[NH3+] 82906869 572151387 /nfs/dbraw/zinc/15/13/87/572151387.db2.gz OMOSNXACKVRZHM-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO C[C@@H]1C[C@@H]1CN(C)C[C@](C)(O)C[NH3+] 82906570 572151545 /nfs/dbraw/zinc/15/15/45/572151545.db2.gz GFCLDFQBEXSNRV-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO CO[C@H]1CCC[C@@H]([NH2+]CCCN)C1 69847974 572151588 /nfs/dbraw/zinc/15/15/88/572151588.db2.gz UKTIZGGKKRLWQH-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H](N)CC[NH2+]C[C@H]1CCO[C@@H]1C 235154777 572151932 /nfs/dbraw/zinc/15/19/32/572151932.db2.gz FZAHCRWYUQCPAD-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H]1CN(C)CCN1CCC[C@@H](C)[NH3+] 235155273 572152770 /nfs/dbraw/zinc/15/27/70/572152770.db2.gz RJFAUXMRWMPJBG-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCC[C@@H]1C[C@@H]1NCC1C[NH2+]C1 300388252 572152361 /nfs/dbraw/zinc/15/23/61/572152361.db2.gz QOLVZJWCPIGZFA-ZJUUUORDSA-N 1 3 168.284 0.984 10 0 ACAEHO CCC[C@@H]1C[C@@H]1[NH2+]CC1CNC1 300388252 572152364 /nfs/dbraw/zinc/15/23/64/572152364.db2.gz QOLVZJWCPIGZFA-ZJUUUORDSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]([NH3+])CCNCCOCC1CC1 235154506 572152426 /nfs/dbraw/zinc/15/24/26/572152426.db2.gz QDYLEEPZNOBXOP-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H](N)CC[NH2+]C[C@@H]1CCO[C@@H]1C 235154673 572152543 /nfs/dbraw/zinc/15/25/43/572152543.db2.gz FZAHCRWYUQCPAD-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@H]1CCC[C@H]([NH2+]CCCN)C1 69847967 572152688 /nfs/dbraw/zinc/15/26/88/572152688.db2.gz UKTIZGGKKRLWQH-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C 300385716 572152899 /nfs/dbraw/zinc/15/28/99/572152899.db2.gz KPPJSHIVYQARBC-UWVGGRQHSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C 300385716 572152902 /nfs/dbraw/zinc/15/29/02/572152902.db2.gz KPPJSHIVYQARBC-UWVGGRQHSA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCO[C@H]1C1CC1 300389642 572153627 /nfs/dbraw/zinc/15/36/27/572153627.db2.gz QDPNYNPXUMLDND-JEZHCXPESA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CCCN)CCO1 69863197 572153696 /nfs/dbraw/zinc/15/36/96/572153696.db2.gz CMXIHBJTIBNPKY-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCO[C@H]1C1CC1 300389644 572153711 /nfs/dbraw/zinc/15/37/11/572153711.db2.gz QDPNYNPXUMLDND-QNSHHTMESA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@]1(C)CCCOC1 235155697 572153800 /nfs/dbraw/zinc/15/38/00/572153800.db2.gz CVQYWKZWKMZOKR-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@@H]1C[C@H]([NH2+]CCCN)CCO1 69863178 572154082 /nfs/dbraw/zinc/15/40/82/572154082.db2.gz DFRWRBMZDOOFGF-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]CCCN)CCO1 69863200 572154590 /nfs/dbraw/zinc/15/45/90/572154590.db2.gz CMXIHBJTIBNPKY-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CC[C@@H]1C[C@@H]([NH2+]CCCN)CCO1 69863184 572154645 /nfs/dbraw/zinc/15/46/45/572154645.db2.gz DFRWRBMZDOOFGF-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]CCCN)CCO1 69863193 572154661 /nfs/dbraw/zinc/15/46/61/572154661.db2.gz CMXIHBJTIBNPKY-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO COC[C@H](C)N(CCC[NH3+])C1CC1 69901823 572154693 /nfs/dbraw/zinc/15/46/93/572154693.db2.gz FEOBKOUTLPCDEX-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H]1C[C@@H]([NH2+]CCCN)CCO1 69863188 572154711 /nfs/dbraw/zinc/15/47/11/572154711.db2.gz DFRWRBMZDOOFGF-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO COC[C@@H](C)N(CCC[NH3+])C1CC1 69901825 572154728 /nfs/dbraw/zinc/15/47/28/572154728.db2.gz FEOBKOUTLPCDEX-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CCCN)CCO1 69863191 572155688 /nfs/dbraw/zinc/15/56/88/572155688.db2.gz CMXIHBJTIBNPKY-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO CC(C)CN1CCO[C@@H](CC[NH3+])C1 71499860 572157378 /nfs/dbraw/zinc/15/73/78/572157378.db2.gz UDZXLULRMRYONB-JTQLQIEISA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@@]1(C)CCO[C@@H]1C 235155589 572157273 /nfs/dbraw/zinc/15/72/73/572157273.db2.gz QKUQWRASPMYUOP-BBBLOLIVSA-N 1 3 186.299 0.881 10 0 ACAEHO CCCN1C[C@@H](C)O[C@H](CC[NH3+])C1 71499838 572157617 /nfs/dbraw/zinc/15/76/17/572157617.db2.gz RQTVFXMOQFPCEI-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCCNC[C@@H]1CC[N@H+](C)C1 37485047 572157784 /nfs/dbraw/zinc/15/77/84/572157784.db2.gz BTZFOMVMIGLBKH-VIFPVBQESA-N 1 3 172.272 0.174 10 0 ACAEHO COCCNC[C@@H]1CC[N@@H+](C)C1 37485047 572157788 /nfs/dbraw/zinc/15/77/88/572157788.db2.gz BTZFOMVMIGLBKH-VIFPVBQESA-N 1 3 172.272 0.174 10 0 ACAEHO COCCNC[C@H]1CC[N@H+](C)C1 37485046 572157819 /nfs/dbraw/zinc/15/78/19/572157819.db2.gz BTZFOMVMIGLBKH-SECBINFHSA-N 1 3 172.272 0.174 10 0 ACAEHO COCCNC[C@H]1CC[N@@H+](C)C1 37485046 572157823 /nfs/dbraw/zinc/15/78/23/572157823.db2.gz BTZFOMVMIGLBKH-SECBINFHSA-N 1 3 172.272 0.174 10 0 ACAEHO CC(C)CN1CCO[C@H](CC[NH3+])C1 71499858 572157980 /nfs/dbraw/zinc/15/79/80/572157980.db2.gz UDZXLULRMRYONB-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO CC(C)N1C[C@H](C)O[C@@H](CC[NH3+])C1 71499842 572158254 /nfs/dbraw/zinc/15/82/54/572158254.db2.gz ANFAADWULCGLLR-UWVGGRQHSA-N 1 3 186.299 0.833 10 0 ACAEHO CN(C)CC[NH2+]C[C@H]1CCN(C)C1 37485086 572158287 /nfs/dbraw/zinc/15/82/87/572158287.db2.gz FAAZEGSZYAGHEY-SNVBAGLBSA-N 1 3 185.315 0.089 10 0 ACAEHO CN(C)CCNC[C@H]1CC[N@H+](C)C1 37485086 572158291 /nfs/dbraw/zinc/15/82/91/572158291.db2.gz FAAZEGSZYAGHEY-SNVBAGLBSA-N 1 3 185.315 0.089 10 0 ACAEHO CN(C)CCNC[C@H]1CC[N@@H+](C)C1 37485086 572158294 /nfs/dbraw/zinc/15/82/94/572158294.db2.gz FAAZEGSZYAGHEY-SNVBAGLBSA-N 1 3 185.315 0.089 10 0 ACAEHO CO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C 300389855 572158357 /nfs/dbraw/zinc/15/83/57/572158357.db2.gz QMAUAVKJVXLSPS-XHNCKOQMSA-N 1 3 186.299 0.737 10 0 ACAEHO CCCCN1CCO[C@H](CC[NH3+])C1 71499846 572158536 /nfs/dbraw/zinc/15/85/36/572158536.db2.gz LNUIUFMSIYNOMQ-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CC(C)N1C[C@H](CC[NH3+])O[C@H](C)C1 71499840 572158834 /nfs/dbraw/zinc/15/88/34/572158834.db2.gz ANFAADWULCGLLR-ZJUUUORDSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[C@@H](O)CN1 300389930 572158878 /nfs/dbraw/zinc/15/88/78/572158878.db2.gz SMABOBVMRKPEMW-RGOKHQFPSA-N 1 3 184.283 0.097 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[C@H](O)CN1 300389927 572159227 /nfs/dbraw/zinc/15/92/27/572159227.db2.gz SMABOBVMRKPEMW-IMSYWVGJSA-N 1 3 184.283 0.097 10 0 ACAEHO CO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C 300389854 572159701 /nfs/dbraw/zinc/15/97/01/572159701.db2.gz QMAUAVKJVXLSPS-DJLDLDEBSA-N 1 3 186.299 0.737 10 0 ACAEHO CN(C)CC[NH2+]C[C@@H]1CCN(C)C1 37485087 572159773 /nfs/dbraw/zinc/15/97/73/572159773.db2.gz FAAZEGSZYAGHEY-JTQLQIEISA-N 1 3 185.315 0.089 10 0 ACAEHO CN(C)CCNC[C@@H]1CC[N@H+](C)C1 37485087 572159776 /nfs/dbraw/zinc/15/97/76/572159776.db2.gz FAAZEGSZYAGHEY-JTQLQIEISA-N 1 3 185.315 0.089 10 0 ACAEHO CN(C)CCNC[C@@H]1CC[N@@H+](C)C1 37485087 572159778 /nfs/dbraw/zinc/15/97/78/572159778.db2.gz FAAZEGSZYAGHEY-JTQLQIEISA-N 1 3 185.315 0.089 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@]1(C)CCO[C@@H]1C 235155733 572161024 /nfs/dbraw/zinc/16/10/24/572161024.db2.gz QKUQWRASPMYUOP-OPRDCNLKSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@@H](CNC[C@@H]1CCCC[NH2+]1)N(C)C 235155791 572161040 /nfs/dbraw/zinc/16/10/40/572161040.db2.gz LAWZNOBVUWYSBD-QWRGUYRKSA-N 1 3 199.342 0.668 10 0 ACAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[C@@H](O)CN1 300392235 572161571 /nfs/dbraw/zinc/16/15/71/572161571.db2.gz WLDBBWCULHXGEC-YTWAJWBKSA-N 1 3 198.310 0.487 10 0 ACAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[C@H](O)CN1 300392236 572161878 /nfs/dbraw/zinc/16/18/78/572161878.db2.gz WLDBBWCULHXGEC-ZNSHCXBVSA-N 1 3 198.310 0.487 10 0 ACAEHO CCN(CC(C)C)[C@@H](CO)[C@@H](C)[NH3+] 82987078 572162609 /nfs/dbraw/zinc/16/26/09/572162609.db2.gz VTXHEVOGBCFVGF-ZJUUUORDSA-N 1 3 188.315 0.672 10 0 ACAEHO CC[N@@H+]1CC[C@H](CNCCN(C)C)C1 37484394 572162652 /nfs/dbraw/zinc/16/26/52/572162652.db2.gz DYMKPMUVYIMNMA-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO CC[N@H+]1CC[C@H](CNCCN(C)C)C1 37484394 572162653 /nfs/dbraw/zinc/16/26/53/572162653.db2.gz DYMKPMUVYIMNMA-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[C@H](O)CN1 300392234 572162697 /nfs/dbraw/zinc/16/26/97/572162697.db2.gz WLDBBWCULHXGEC-RCWTZXSCSA-N 1 3 198.310 0.487 10 0 ACAEHO CCC(CC)N(C)[C@H](CO)[C@@H](C)[NH3+] 82987121 572162713 /nfs/dbraw/zinc/16/27/13/572162713.db2.gz CFDTUWBFXMNQAG-PSASIEDQSA-N 1 3 188.315 0.815 10 0 ACAEHO C[C@@H](C1CC1)N(C)[C@@H](CO)[C@@H](C)[NH3+] 82987116 572162765 /nfs/dbraw/zinc/16/27/65/572162765.db2.gz BQZIRZBFSICDCG-WEDXCCLWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H](CNC[C@@H]1CCC[NH2+]1)N(C)C 235156698 572163006 /nfs/dbraw/zinc/16/30/06/572163006.db2.gz UXRMVRYCPCSKIP-UWVGGRQHSA-N 1 3 185.315 0.278 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CNCCN(C)C)C1 37484395 572163093 /nfs/dbraw/zinc/16/30/93/572163093.db2.gz DYMKPMUVYIMNMA-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO CC[N@H+]1CC[C@@H](CNCCN(C)C)C1 37484395 572163097 /nfs/dbraw/zinc/16/30/97/572163097.db2.gz DYMKPMUVYIMNMA-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO C[C@@H]1OCC[C@@H]1C[NH2+]CC1(CN)CC1 300392790 572163272 /nfs/dbraw/zinc/16/32/72/572163272.db2.gz ZIEVWLQQUFYLEW-VHSXEESVSA-N 1 3 198.310 0.740 10 0 ACAEHO CC1(C)CCCN1C[C@H]([NH3+])CCO 82988598 572163332 /nfs/dbraw/zinc/16/33/32/572163332.db2.gz IVPWZVHPJKEVBP-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCN(CCC)[C@@H](CO)[C@@H](C)[NH3+] 82986998 572163343 /nfs/dbraw/zinc/16/33/43/572163343.db2.gz WBDOSWQJJXSUHK-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H]1[C@H](CN)CC[N@@H+]1C1CC1 18564896 572163479 /nfs/dbraw/zinc/16/34/79/572163479.db2.gz AKPPXHNEFULGEF-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@H](CN)CC[N@H+]1C1CC1 18564896 572163480 /nfs/dbraw/zinc/16/34/80/572163480.db2.gz AKPPXHNEFULGEF-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO CC1(C)CCCN1C[C@@H]([NH3+])CCO 82988599 572163783 /nfs/dbraw/zinc/16/37/83/572163783.db2.gz IVPWZVHPJKEVBP-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CCCN(CCC)[C@@H](CO)[C@H](C)[NH3+] 82987000 572164008 /nfs/dbraw/zinc/16/40/08/572164008.db2.gz WBDOSWQJJXSUHK-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H]1[C@@H](CN)CC[N@@H+]1C1CC1 18564895 572164023 /nfs/dbraw/zinc/16/40/23/572164023.db2.gz AKPPXHNEFULGEF-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1[C@@H](CN)CC[N@H+]1C1CC1 18564895 572164025 /nfs/dbraw/zinc/16/40/25/572164025.db2.gz AKPPXHNEFULGEF-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[N@H+]1CC[C@@H](CNCCOC)C1 37484373 572164653 /nfs/dbraw/zinc/16/46/53/572164653.db2.gz LFSWZPISYWTONJ-JTQLQIEISA-N 1 3 186.299 0.564 10 0 ACAEHO C[C@@H]1[C@@H](CN)CC[N@@H+]1C1CC1 18564894 572164338 /nfs/dbraw/zinc/16/43/38/572164338.db2.gz AKPPXHNEFULGEF-HTQZYQBOSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@@H](CN)CC[N@H+]1C1CC1 18564894 572164340 /nfs/dbraw/zinc/16/43/40/572164340.db2.gz AKPPXHNEFULGEF-HTQZYQBOSA-N 1 3 154.257 0.818 10 0 ACAEHO CCN(CC1CC1)[C@H](CO)[C@@H](C)[NH3+] 82987504 572164357 /nfs/dbraw/zinc/16/43/57/572164357.db2.gz ZMGQYSNDMRITSJ-PSASIEDQSA-N 1 3 186.299 0.426 10 0 ACAEHO CCC(CC)N(C)[C@@H](CO)[C@@H](C)[NH3+] 82987120 572164468 /nfs/dbraw/zinc/16/44/68/572164468.db2.gz CFDTUWBFXMNQAG-SCZZXKLOSA-N 1 3 188.315 0.815 10 0 ACAEHO CC(C)[C@@H](C)N(C)[C@@H](CO)[C@@H](C)[NH3+] 82987118 572164793 /nfs/dbraw/zinc/16/47/93/572164793.db2.gz SZVBUZRYAJMLNR-BBBLOLIVSA-N 1 3 188.315 0.671 10 0 ACAEHO CCN1CC[C@@H](C[NH2+]CCOC)C1 37484373 572164643 /nfs/dbraw/zinc/16/46/43/572164643.db2.gz LFSWZPISYWTONJ-JTQLQIEISA-N 1 3 186.299 0.564 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CNCCOC)C1 37484373 572164647 /nfs/dbraw/zinc/16/46/47/572164647.db2.gz LFSWZPISYWTONJ-JTQLQIEISA-N 1 3 186.299 0.564 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](CO)N(C)C1CCCC1 82987063 572164735 /nfs/dbraw/zinc/16/47/35/572164735.db2.gz YGRSBBOPBPTDSC-PSASIEDQSA-N 1 3 186.299 0.569 10 0 ACAEHO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[C@@H](O)CN1 300392233 572164736 /nfs/dbraw/zinc/16/47/36/572164736.db2.gz WLDBBWCULHXGEC-DBIOUOCHSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]([NH3+])[C@H](CO)N(C)C1CCCC1 82987065 572165157 /nfs/dbraw/zinc/16/51/57/572165157.db2.gz YGRSBBOPBPTDSC-SCZZXKLOSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[C@H]1CCCN1C[C@H]([NH3+])CCO 82988407 572165191 /nfs/dbraw/zinc/16/51/91/572165191.db2.gz XOXSDIWWAQCHDI-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H]1C[C@H]1NC[C@H]1CC[NH2+]C1 300393976 572165194 /nfs/dbraw/zinc/16/51/94/572165194.db2.gz YLYBQMYKZBJJCG-IVZWLZJFSA-N 1 3 168.284 0.984 10 0 ACAEHO CCN(CC(C)C)[C@H](CO)[C@@H](C)[NH3+] 82987079 572165209 /nfs/dbraw/zinc/16/52/09/572165209.db2.gz VTXHEVOGBCFVGF-NXEZZACHSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@H]([NH3+])[C@H](CO)N(C)C1CCCC1 82987064 572165577 /nfs/dbraw/zinc/16/55/77/572165577.db2.gz YGRSBBOPBPTDSC-WPRPVWTQSA-N 1 3 186.299 0.569 10 0 ACAEHO CCCN(CCC)[C@H](CO)[C@H](C)[NH3+] 82987001 572165505 /nfs/dbraw/zinc/16/55/05/572165505.db2.gz WBDOSWQJJXSUHK-VHSXEESVSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H]1CCCN1[C@@H](CO)[C@@H](C)[NH3+] 82987167 572165522 /nfs/dbraw/zinc/16/55/22/572165522.db2.gz KWRAIQLLCVDKSS-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]CCOC1(C)CNC1 300394915 572165769 /nfs/dbraw/zinc/16/57/69/572165769.db2.gz ZTHLUEBYWAUDFC-ZJUUUORDSA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@@H]1C[C@@H]1NC[C@H]1CC[NH2+]C1 300393973 572166250 /nfs/dbraw/zinc/16/62/50/572166250.db2.gz YLYBQMYKZBJJCG-AEJSXWLSSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[C@](C)(O)CN[C@@H](C)[C@H](C)[NH3+] 393345647 572166175 /nfs/dbraw/zinc/16/61/75/572166175.db2.gz AZUGSRZITYWIGE-CIUDSAMLSA-N 1 3 174.288 0.473 10 0 ACAEHO CC[C@](C)(O)CN[C@H](C)[C@H](C)[NH3+] 393345650 572166636 /nfs/dbraw/zinc/16/66/36/572166636.db2.gz AZUGSRZITYWIGE-YIZRAAEISA-N 1 3 174.288 0.473 10 0 ACAEHO CC[C@](C)(O)CN[C@@H](C)[C@@H](C)[NH3+] 393345649 572166669 /nfs/dbraw/zinc/16/66/69/572166669.db2.gz AZUGSRZITYWIGE-VGMNWLOBSA-N 1 3 174.288 0.473 10 0 ACAEHO CC[C@](C)(O)CN[C@H](C)[C@@H](C)[NH3+] 393345648 572167103 /nfs/dbraw/zinc/16/71/03/572167103.db2.gz AZUGSRZITYWIGE-HLTSFMKQSA-N 1 3 174.288 0.473 10 0 ACAEHO C[C@H](O)CC[NH2+]C1CCNCC1 82993479 572167268 /nfs/dbraw/zinc/16/72/68/572167268.db2.gz BAARBQSBDQSQBE-QMMMGPOBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H](O)CCNC1CC[NH2+]CC1 82993479 572167272 /nfs/dbraw/zinc/16/72/72/572167272.db2.gz BAARBQSBDQSQBE-QMMMGPOBSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+]C1 300393975 572167599 /nfs/dbraw/zinc/16/75/99/572167599.db2.gz YLYBQMYKZBJJCG-BBBLOLIVSA-N 1 3 168.284 0.984 10 0 ACAEHO C[NH2+]C[C@@H](C)CNC1CC(OC)C1 300394602 572167727 /nfs/dbraw/zinc/16/77/27/572167727.db2.gz YFLDHYIDGLJCMU-XNWIYYODSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@@H](O)CC[NH2+]C1CCNCC1 82993481 572167796 /nfs/dbraw/zinc/16/77/96/572167796.db2.gz BAARBQSBDQSQBE-MRVPVSSYSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H](O)CCNC1CC[NH2+]CC1 82993481 572167799 /nfs/dbraw/zinc/16/77/99/572167799.db2.gz BAARBQSBDQSQBE-MRVPVSSYSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H]1OCC[C@]1(C)NC[C@@H]1CC[NH2+]C1 235648033 572169306 /nfs/dbraw/zinc/16/93/06/572169306.db2.gz OURWPOBGUVCXIM-MXWKQRLJSA-N 1 3 198.310 0.753 10 0 ACAEHO CC(C)[C@@H]([NH3+])CNC[C@@]12COC[C@@H]1C2 689283421 572169322 /nfs/dbraw/zinc/16/93/22/572169322.db2.gz MTRZJEYQSGTNPD-DCAQKATOSA-N 1 3 198.310 0.596 10 0 ACAEHO CC(C)[C@H]([NH3+])CNC[C@]12COC[C@H]1C2 689283427 572169716 /nfs/dbraw/zinc/16/97/16/572169716.db2.gz MTRZJEYQSGTNPD-GMTAPVOTSA-N 1 3 198.310 0.596 10 0 ACAEHO NCC1(C[NH2+]C[C@]23COC[C@H]2C3)CC1 689282965 572169871 /nfs/dbraw/zinc/16/98/71/572169871.db2.gz OKAWYSMKXVDFRN-MWLCHTKSSA-N 1 3 196.294 0.351 10 0 ACAEHO CC(C)[C@@H]([NH3+])CNC[C@]12COC[C@H]1C2 689283438 572169889 /nfs/dbraw/zinc/16/98/89/572169889.db2.gz MTRZJEYQSGTNPD-OUAUKWLOSA-N 1 3 198.310 0.596 10 0 ACAEHO CC[N@H+](CCOC)C1CCNCC1 37653848 572170219 /nfs/dbraw/zinc/17/02/19/572170219.db2.gz FLZMVYRSWFPBOC-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO CC[N@@H+](CCOC)C1CCNCC1 37653848 572170222 /nfs/dbraw/zinc/17/02/22/572170222.db2.gz FLZMVYRSWFPBOC-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO CC(C)[C@H]([NH3+])CNC[C@@]12COC[C@@H]1C2 689283412 572170260 /nfs/dbraw/zinc/17/02/60/572170260.db2.gz MTRZJEYQSGTNPD-AXFHLTTASA-N 1 3 198.310 0.596 10 0 ACAEHO C[C@H](NCCCC[NH3+])c1cnccn1 70025350 572170271 /nfs/dbraw/zinc/17/02/71/572170271.db2.gz CXBRXUBOWCFEFL-VIFPVBQESA-N 1 3 194.282 0.866 10 0 ACAEHO NCC1(C[NH2+]C[C@@]23COC[C@@H]2C3)CC1 689282968 572170322 /nfs/dbraw/zinc/17/03/22/572170322.db2.gz OKAWYSMKXVDFRN-ONGXEEELSA-N 1 3 196.294 0.351 10 0 ACAEHO COCC[N@H+](C)[C@H]1CCNC[C@H]1C 70045798 572170975 /nfs/dbraw/zinc/17/09/75/572170975.db2.gz SSVFKISAAPNRRT-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO COCC[N@@H+](C)[C@H]1CCNC[C@H]1C 70045798 572170976 /nfs/dbraw/zinc/17/09/76/572170976.db2.gz SSVFKISAAPNRRT-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO CCCN[C@]1(C[NH3+])CCCOC1 70015280 572171210 /nfs/dbraw/zinc/17/12/10/572171210.db2.gz AHBWAURIBWQRQD-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO N[C@@H]1CC[NH2+][C@H](C2CC2)C1 18879292 572171235 /nfs/dbraw/zinc/17/12/35/572171235.db2.gz JOVXXLZHUBANRP-SFYZADRCSA-N 1 3 140.230 0.476 10 0 ACAEHO [NH3+][C@@H]1CCN[C@H](C2CC2)C1 18879292 572171236 /nfs/dbraw/zinc/17/12/36/572171236.db2.gz JOVXXLZHUBANRP-SFYZADRCSA-N 1 3 140.230 0.476 10 0 ACAEHO N[C@H]1CC[NH2+][C@H](C2CC2)C1 18879295 572171253 /nfs/dbraw/zinc/17/12/53/572171253.db2.gz JOVXXLZHUBANRP-YUMQZZPRSA-N 1 3 140.230 0.476 10 0 ACAEHO [NH3+][C@H]1CCN[C@H](C2CC2)C1 18879295 572171257 /nfs/dbraw/zinc/17/12/57/572171257.db2.gz JOVXXLZHUBANRP-YUMQZZPRSA-N 1 3 140.230 0.476 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N(C)CCN(C)C 70046239 572171476 /nfs/dbraw/zinc/17/14/76/572171476.db2.gz VAIRQPWCAAHJKH-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO CC[NH2+]C[C@@H](C)CN(C)C[C@@H](C)O 70067356 572171695 /nfs/dbraw/zinc/17/16/95/572171695.db2.gz BTEDXARVACZSQJ-NXEZZACHSA-N 1 3 188.315 0.545 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1OCCN(C)C 70046720 572171732 /nfs/dbraw/zinc/17/17/32/572171732.db2.gz MVRAIHBWLSLBMO-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO N[C@H]1CC[NH2+][C@@H](C2CC2)C1 18879289 572171833 /nfs/dbraw/zinc/17/18/33/572171833.db2.gz JOVXXLZHUBANRP-JGVFFNPUSA-N 1 3 140.230 0.476 10 0 ACAEHO [NH3+][C@H]1CCN[C@@H](C2CC2)C1 18879289 572171836 /nfs/dbraw/zinc/17/18/36/572171836.db2.gz JOVXXLZHUBANRP-JGVFFNPUSA-N 1 3 140.230 0.476 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(C)C[C@@H](C)O 70067349 572172177 /nfs/dbraw/zinc/17/21/77/572172177.db2.gz MUFKOUFTGGZWIJ-RKDXNWHRSA-N 1 3 174.288 0.155 10 0 ACAEHO C[NH2+]C[C@H](C)CN(C)C[C@@H](C)O 70067348 572172194 /nfs/dbraw/zinc/17/21/94/572172194.db2.gz MUFKOUFTGGZWIJ-DTWKUNHWSA-N 1 3 174.288 0.155 10 0 ACAEHO C[C@@H](Cn1ccnc1N)[NH+](C)C 235162271 572172204 /nfs/dbraw/zinc/17/22/04/572172204.db2.gz XQGNFOWUIWUGHT-ZETCQYMHSA-N 1 3 168.244 0.415 10 0 ACAEHO C[C@@H](Cn1cc[nH+]c1N)N(C)C 235162271 572172207 /nfs/dbraw/zinc/17/22/07/572172207.db2.gz XQGNFOWUIWUGHT-ZETCQYMHSA-N 1 3 168.244 0.415 10 0 ACAEHO CCCN[C@@]1(C[NH3+])CCCOC1 70015283 572172335 /nfs/dbraw/zinc/17/23/35/572172335.db2.gz AHBWAURIBWQRQD-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1OCCN(C)C 70046721 572172364 /nfs/dbraw/zinc/17/23/64/572172364.db2.gz MVRAIHBWLSLBMO-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H](Cn1ccnc1N)[NH+]1CCCC1 235162316 572172377 /nfs/dbraw/zinc/17/23/77/572172377.db2.gz FTLYFLZSAYGFIE-VIFPVBQESA-N 1 3 194.282 0.950 10 0 ACAEHO CC[NH2+]C[C@H](C)CN(C)C[C@@H](C)O 70067357 572172492 /nfs/dbraw/zinc/17/24/92/572172492.db2.gz BTEDXARVACZSQJ-VHSXEESVSA-N 1 3 188.315 0.545 10 0 ACAEHO COCC[N@@H+](C)[C@@H]1CCNC[C@H]1C 70045801 572172568 /nfs/dbraw/zinc/17/25/68/572172568.db2.gz SSVFKISAAPNRRT-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N(C)CCN(C)C 70046243 572172600 /nfs/dbraw/zinc/17/26/00/572172600.db2.gz VAIRQPWCAAHJKH-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO COCC[N@H+](C)[C@@H]1CCNC[C@H]1C 70045801 572172565 /nfs/dbraw/zinc/17/25/65/572172565.db2.gz SSVFKISAAPNRRT-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO N[C@@H]1CC[NH2+][C@@H](C2CC2)C1 18879286 572172867 /nfs/dbraw/zinc/17/28/67/572172867.db2.gz JOVXXLZHUBANRP-HTQZYQBOSA-N 1 3 140.230 0.476 10 0 ACAEHO [NH3+][C@@H]1CCN[C@@H](C2CC2)C1 18879286 572172870 /nfs/dbraw/zinc/17/28/70/572172870.db2.gz JOVXXLZHUBANRP-HTQZYQBOSA-N 1 3 140.230 0.476 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1N(C)CCN(C)C 70046240 572172876 /nfs/dbraw/zinc/17/28/76/572172876.db2.gz VAIRQPWCAAHJKH-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO COCC[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045799 572172907 /nfs/dbraw/zinc/17/29/07/572172907.db2.gz SSVFKISAAPNRRT-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO COCC[N@H+](C)[C@H]1CCNC[C@@H]1C 70045799 572172904 /nfs/dbraw/zinc/17/29/04/572172904.db2.gz SSVFKISAAPNRRT-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1OCCN(C)C 70046723 572173018 /nfs/dbraw/zinc/17/30/18/572173018.db2.gz MVRAIHBWLSLBMO-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N(C)CCN(C)C 70046241 572173244 /nfs/dbraw/zinc/17/32/44/572173244.db2.gz VAIRQPWCAAHJKH-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO COCC[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045803 572173080 /nfs/dbraw/zinc/17/30/80/572173080.db2.gz SSVFKISAAPNRRT-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO COCC[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045803 572173083 /nfs/dbraw/zinc/17/30/83/572173083.db2.gz SSVFKISAAPNRRT-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1OCCN(C)C 70046724 572173141 /nfs/dbraw/zinc/17/31/41/572173141.db2.gz MVRAIHBWLSLBMO-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H](NCCCC[NH3+])c1nccn1C 70007813 572173194 /nfs/dbraw/zinc/17/31/94/572173194.db2.gz DPLJTAKLNIXIFC-SECBINFHSA-N 1 3 196.298 0.810 10 0 ACAEHO N[C@H]1CCC[C@H]1C[NH2+]C[C@@H]1CCOC1 82922495 572173676 /nfs/dbraw/zinc/17/36/76/572173676.db2.gz WOWNEZAVKYWYNJ-DCAQKATOSA-N 1 3 198.310 0.740 10 0 ACAEHO COCCNC[C@H]1CCC[C@@H]1[NH3+] 82922477 572173412 /nfs/dbraw/zinc/17/34/12/572173412.db2.gz KWZGEKWJFAQWEG-BDAKNGLRSA-N 1 3 172.272 0.350 10 0 ACAEHO N[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 82922492 572173467 /nfs/dbraw/zinc/17/34/67/572173467.db2.gz WOWNEZAVKYWYNJ-HBNTYKKESA-N 1 3 198.310 0.740 10 0 ACAEHO COCCNC[C@@H]1CCCC[C@@H]1[NH3+] 82922472 572173519 /nfs/dbraw/zinc/17/35/19/572173519.db2.gz ZUVJTAGTIXKBCW-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO COCCNC[C@H]1CCCC[C@@H]1[NH3+] 82922473 572173571 /nfs/dbraw/zinc/17/35/71/572173571.db2.gz ZUVJTAGTIXKBCW-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CNC[C@@H]1CCCO1 82922321 572173902 /nfs/dbraw/zinc/17/39/02/572173902.db2.gz LXUVBIOTQAZVNL-GARJFASQSA-N 1 3 198.310 0.882 10 0 ACAEHO COCCNC[C@@H]1CCC[C@H]1[NH3+] 82922478 572174035 /nfs/dbraw/zinc/17/40/35/572174035.db2.gz KWZGEKWJFAQWEG-DTWKUNHWSA-N 1 3 172.272 0.350 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H]1CNC[C@@H]1CCCO1 82922322 572174124 /nfs/dbraw/zinc/17/41/24/572174124.db2.gz LXUVBIOTQAZVNL-VWYCJHECSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+][C@H]1CCC[C@H]1CNC[C@@H]1CCCO1 82922323 572174175 /nfs/dbraw/zinc/17/41/75/572174175.db2.gz LXUVBIOTQAZVNL-DCAQKATOSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CNC[C@@H]1CCCO1 82922320 572174583 /nfs/dbraw/zinc/17/45/83/572174583.db2.gz LXUVBIOTQAZVNL-OUAUKWLOSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@H](O)CNCCC[NH+](C)C 37688584 572174667 /nfs/dbraw/zinc/17/46/67/572174667.db2.gz JEEBAIXQXAYHAD-VIFPVBQESA-N 1 3 174.288 0.299 10 0 ACAEHO N[C@@H]1CCC[C@H]1C[NH2+]C[C@@H]1CCOC1 82922493 572174681 /nfs/dbraw/zinc/17/46/81/572174681.db2.gz WOWNEZAVKYWYNJ-GARJFASQSA-N 1 3 198.310 0.740 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]CCCN 19058939 572174736 /nfs/dbraw/zinc/17/47/36/572174736.db2.gz IBBLTHKFOOFSCM-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H]1C[C@@H]1NCCC[NH3+] 19058939 572174740 /nfs/dbraw/zinc/17/47/40/572174740.db2.gz IBBLTHKFOOFSCM-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO COCCNC[C@@H]1CCC[C@@H]1[NH3+] 82922476 572174761 /nfs/dbraw/zinc/17/47/61/572174761.db2.gz KWZGEKWJFAQWEG-IUCAKERBSA-N 1 3 172.272 0.350 10 0 ACAEHO COCCNC[C@H]1CCC[C@H]1[NH3+] 82922479 572174818 /nfs/dbraw/zinc/17/48/18/572174818.db2.gz KWZGEKWJFAQWEG-RKDXNWHRSA-N 1 3 172.272 0.350 10 0 ACAEHO CC[C@H]1C[C@@H]1[NH2+]CCCN 19058942 572175172 /nfs/dbraw/zinc/17/51/72/572175172.db2.gz IBBLTHKFOOFSCM-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H]1C[C@@H]1NCCC[NH3+] 19058942 572175176 /nfs/dbraw/zinc/17/51/76/572175176.db2.gz IBBLTHKFOOFSCM-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO COCCNC[C@H]1CCCC[C@H]1[NH3+] 82922475 572175392 /nfs/dbraw/zinc/17/53/92/572175392.db2.gz ZUVJTAGTIXKBCW-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@H]1C[C@H]1[NH2+]CCCN 19058945 572175827 /nfs/dbraw/zinc/17/58/27/572175827.db2.gz IBBLTHKFOOFSCM-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H]1C[C@H]1NCCC[NH3+] 19058945 572175828 /nfs/dbraw/zinc/17/58/28/572175828.db2.gz IBBLTHKFOOFSCM-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H](O)CNCCC[NH+](C)C 37688585 572175898 /nfs/dbraw/zinc/17/58/98/572175898.db2.gz JEEBAIXQXAYHAD-SECBINFHSA-N 1 3 174.288 0.299 10 0 ACAEHO C[NH2+]C[C@H](C)CN(CCO)C(C)C 70066670 572177307 /nfs/dbraw/zinc/17/73/07/572177307.db2.gz DGYDIJCKOXEZLC-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO CC[C@@H](O)CN(C)C1CC[NH2+]CC1 37689207 572176454 /nfs/dbraw/zinc/17/64/54/572176454.db2.gz SDFVMLCMJWQNHR-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[C@@H](O)C[N@H+](C)C1CCNCC1 37689207 572176456 /nfs/dbraw/zinc/17/64/56/572176456.db2.gz SDFVMLCMJWQNHR-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[C@@H](O)C[N@@H+](C)C1CCNCC1 37689207 572176460 /nfs/dbraw/zinc/17/64/60/572176460.db2.gz SDFVMLCMJWQNHR-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[C@H]1C[C@H]1[NH2+]CCCN 19058947 572176698 /nfs/dbraw/zinc/17/66/98/572176698.db2.gz IBBLTHKFOOFSCM-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H]1C[C@H]1NCCC[NH3+] 19058947 572176699 /nfs/dbraw/zinc/17/66/99/572176699.db2.gz IBBLTHKFOOFSCM-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCCN([C@@H]2CCOC2)C1 70074531 572176724 /nfs/dbraw/zinc/17/67/24/572176724.db2.gz LYWSLKLWLYBPIX-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[NH2+]C[C@@H](C)CN(CC)CCO 70066242 572176860 /nfs/dbraw/zinc/17/68/60/572176860.db2.gz SSHISJGQICHLCU-SNVBAGLBSA-N 1 3 188.315 0.546 10 0 ACAEHO C[NH2+][C@@H](C)C[C@H](C)N 113625797 572176899 /nfs/dbraw/zinc/17/68/99/572176899.db2.gz KHWPAJXYVSBJNM-WDSKDSINSA-N 1 3 116.208 0.332 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCCN([C@@H]2CCOC2)C1 70074529 572176925 /nfs/dbraw/zinc/17/69/25/572176925.db2.gz LYWSLKLWLYBPIX-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[NH2+][C@H](C)C[C@@H](C)N 113625795 572177011 /nfs/dbraw/zinc/17/70/11/572177011.db2.gz KHWPAJXYVSBJNM-PHDIDXHHSA-N 1 3 116.208 0.332 10 0 ACAEHO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCN 37713846 572177029 /nfs/dbraw/zinc/17/70/29/572177029.db2.gz ACPNJJWEEOKDIH-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@@H]1CCCC[C@@H]1NCCC[NH3+] 37713846 572177033 /nfs/dbraw/zinc/17/70/33/572177033.db2.gz ACPNJJWEEOKDIH-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CCCN(CCO)C[C@H](C)C[NH2+]C 70066353 572177390 /nfs/dbraw/zinc/17/73/90/572177390.db2.gz SJCUSBHVDJJAET-SNVBAGLBSA-N 1 3 188.315 0.546 10 0 ACAEHO CC[NH2+]C[C@H](C)CN(CC)CCO 70066243 572178870 /nfs/dbraw/zinc/17/88/70/572178870.db2.gz SSHISJGQICHLCU-JTQLQIEISA-N 1 3 188.315 0.546 10 0 ACAEHO C[NH2+][C@@H](C)C[C@@H](C)N 113625793 572178954 /nfs/dbraw/zinc/17/89/54/572178954.db2.gz KHWPAJXYVSBJNM-RITPCOANSA-N 1 3 116.208 0.332 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(CCO)C(C)C 70066671 572179071 /nfs/dbraw/zinc/17/90/71/572179071.db2.gz DGYDIJCKOXEZLC-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO [NH3+]CCCNCc1ccc(O)cc1 37713066 572179081 /nfs/dbraw/zinc/17/90/81/572179081.db2.gz MGSWTJIFYQHFDH-UHFFFAOYSA-N 1 3 180.251 0.831 10 0 ACAEHO CO[C@H]1CCCC[C@H]1[NH2+]CCCN 37713849 572179342 /nfs/dbraw/zinc/17/93/42/572179342.db2.gz ACPNJJWEEOKDIH-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H]1CCCC[C@H]1NCCC[NH3+] 37713849 572179343 /nfs/dbraw/zinc/17/93/43/572179343.db2.gz ACPNJJWEEOKDIH-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H]1CCCC[C@@H]1[NH2+]CCCN 37713847 572179367 /nfs/dbraw/zinc/17/93/67/572179367.db2.gz ACPNJJWEEOKDIH-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H]1CCCC[C@@H]1NCCC[NH3+] 37713847 572179368 /nfs/dbraw/zinc/17/93/68/572179368.db2.gz ACPNJJWEEOKDIH-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC1(C)[C@H]2OCC[C@@H]2[C@H]1[NH2+]CCCN 82944185 572179443 /nfs/dbraw/zinc/17/94/43/572179443.db2.gz KSVDTHQJVKXKTH-BBBLOLIVSA-N 1 3 198.310 0.738 10 0 ACAEHO CCN(CCO)C[C@H](C)C[NH2+]C 70066239 572179527 /nfs/dbraw/zinc/17/95/27/572179527.db2.gz UFOLYLRGVSWUNL-SECBINFHSA-N 1 3 174.288 0.156 10 0 ACAEHO C[NH2+][C@H](C)C[C@H](C)N 113625799 572179539 /nfs/dbraw/zinc/17/95/39/572179539.db2.gz KHWPAJXYVSBJNM-NTSWFWBYSA-N 1 3 116.208 0.332 10 0 ACAEHO CCN(CCO)C[C@@H](C)C[NH2+]C 70066238 572179631 /nfs/dbraw/zinc/17/96/31/572179631.db2.gz UFOLYLRGVSWUNL-VIFPVBQESA-N 1 3 174.288 0.156 10 0 ACAEHO CCCN(CCO)C[C@@H](C)C[NH2+]C 70066352 572179820 /nfs/dbraw/zinc/17/98/20/572179820.db2.gz SJCUSBHVDJJAET-JTQLQIEISA-N 1 3 188.315 0.546 10 0 ACAEHO CO[C@@H]1CCCC[C@H]1[NH2+]CCCN 37713848 572179878 /nfs/dbraw/zinc/17/98/78/572179878.db2.gz ACPNJJWEEOKDIH-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@@H]1CCCC[C@H]1NCCC[NH3+] 37713848 572179880 /nfs/dbraw/zinc/17/98/80/572179880.db2.gz ACPNJJWEEOKDIH-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]1COCC[C@H]1C[NH2+]CCCN 300964018 572180333 /nfs/dbraw/zinc/18/03/33/572180333.db2.gz GOWGGJSRQRFWFT-UWVGGRQHSA-N 1 3 186.299 0.597 10 0 ACAEHO CC1(C)[C@H]2OCC[C@H]2[C@H]1[NH2+]CCCN 82944190 572180908 /nfs/dbraw/zinc/18/09/08/572180908.db2.gz KSVDTHQJVKXKTH-AEJSXWLSSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@@H]1COCC[C@H]1C[NH2+]CCCN 300964020 572181169 /nfs/dbraw/zinc/18/11/69/572181169.db2.gz GOWGGJSRQRFWFT-ZJUUUORDSA-N 1 3 186.299 0.597 10 0 ACAEHO C[C@@H]1COCC[C@@H]1C[NH2+]CCCN 300964017 572181880 /nfs/dbraw/zinc/18/18/80/572181880.db2.gz GOWGGJSRQRFWFT-NXEZZACHSA-N 1 3 186.299 0.597 10 0 ACAEHO CCOCC[N@@H+]1CCNCC[C@@H]1C 82942820 572182160 /nfs/dbraw/zinc/18/21/60/572182160.db2.gz QXXNIZNUDLMXRW-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CCOCC[N@H+]1CCNCC[C@@H]1C 82942820 572182163 /nfs/dbraw/zinc/18/21/63/572182163.db2.gz QXXNIZNUDLMXRW-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H]([C@@H]1CCCO1)N1CCC([NH3+])CC1 35735979 572183756 /nfs/dbraw/zinc/18/37/56/572183756.db2.gz HXQPEMJNASYOPE-ONGXEEELSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]CCCCNCc1cc[nH]n1 37715368 572182502 /nfs/dbraw/zinc/18/25/02/572182502.db2.gz ZHGZUMCGKSTXNQ-UHFFFAOYSA-N 1 3 168.244 0.238 10 0 ACAEHO C[C@H]([C@H]1CCCO1)N1CC[C@H](C[NH3+])C1 35735986 572182893 /nfs/dbraw/zinc/18/28/93/572182893.db2.gz BWWFYVLSJBSFIF-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CC[C@H](CN)C1 35735986 572182899 /nfs/dbraw/zinc/18/28/99/572182899.db2.gz BWWFYVLSJBSFIF-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CC[C@H](CN)C1 35735986 572182901 /nfs/dbraw/zinc/18/29/01/572182901.db2.gz BWWFYVLSJBSFIF-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CCOCC[N@@H+]1CCNCC[C@H]1C 82942821 572182936 /nfs/dbraw/zinc/18/29/36/572182936.db2.gz QXXNIZNUDLMXRW-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CCOCC[N@H+]1CCNCC[C@H]1C 82942821 572182938 /nfs/dbraw/zinc/18/29/38/572182938.db2.gz QXXNIZNUDLMXRW-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H]1COCC[C@H]1[NH2+]CCCN 300965918 572182960 /nfs/dbraw/zinc/18/29/60/572182960.db2.gz GTQVFEZCHZSNRM-RKDXNWHRSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)N1CC[C@H](C[NH3+])C1 35735984 572183464 /nfs/dbraw/zinc/18/34/64/572183464.db2.gz BWWFYVLSJBSFIF-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CC[C@H](CN)C1 35735984 572183466 /nfs/dbraw/zinc/18/34/66/572183466.db2.gz BWWFYVLSJBSFIF-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CC[C@H](CN)C1 35735984 572183467 /nfs/dbraw/zinc/18/34/67/572183467.db2.gz BWWFYVLSJBSFIF-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([C@H]1CCCO1)N1CCC([NH3+])CC1 35735982 572183623 /nfs/dbraw/zinc/18/36/23/572183623.db2.gz HXQPEMJNASYOPE-MWLCHTKSSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)N1CCC([NH3+])CC1 35735980 572183696 /nfs/dbraw/zinc/18/36/96/572183696.db2.gz HXQPEMJNASYOPE-KOLCDFICSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1COCC[C@@H]1[NH2+]CCCN 300965909 572183974 /nfs/dbraw/zinc/18/39/74/572183974.db2.gz GTQVFEZCHZSNRM-BDAKNGLRSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@@H]([C@H]1CCCO1)N1CCC([NH3+])CC1 35735981 572184684 /nfs/dbraw/zinc/18/46/84/572184684.db2.gz HXQPEMJNASYOPE-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1COCC[C@H]1[NH2+]CCCN 300965912 572185108 /nfs/dbraw/zinc/18/51/08/572185108.db2.gz GTQVFEZCHZSNRM-DTWKUNHWSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@@H]([NH3+])CNCCCOCC1CC1 235177346 572185918 /nfs/dbraw/zinc/18/59/18/572185918.db2.gz QWPHZMNUAOONHN-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO CN1CCC(CN)([NH+]2CCCC2)CC1 19508543 572186557 /nfs/dbraw/zinc/18/65/57/572186557.db2.gz BIPZONZFBBKRIX-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO CN1CCC(O)(C[NH+](C)C)CC1 36156114 572195023 /nfs/dbraw/zinc/19/50/23/572195023.db2.gz VJAFTXGSTZZWNY-UHFFFAOYSA-N 1 3 172.272 0.005 10 0 ACAEHO COCCCN(CCC[NH3+])C1CC1 37753573 572187570 /nfs/dbraw/zinc/18/75/70/572187570.db2.gz NQLSYBYFVZXCHD-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CC(C)N(C)CCC(N)=[NH2+] 19507441 572188020 /nfs/dbraw/zinc/18/80/20/572188020.db2.gz OHTIXHXNRSHNGI-UHFFFAOYSA-N 1 3 143.234 0.653 10 0 ACAEHO CC[N@H+](CCCN)CCCOC 37753570 572188144 /nfs/dbraw/zinc/18/81/44/572188144.db2.gz LFSGIQHDZNKLMP-UHFFFAOYSA-N 1 3 174.288 0.694 10 0 ACAEHO CC[N@@H+](CCCN)CCCOC 37753570 572188145 /nfs/dbraw/zinc/18/81/45/572188145.db2.gz LFSGIQHDZNKLMP-UHFFFAOYSA-N 1 3 174.288 0.694 10 0 ACAEHO CCN(CCC[NH3+])CCCOC 37753570 572188146 /nfs/dbraw/zinc/18/81/46/572188146.db2.gz LFSGIQHDZNKLMP-UHFFFAOYSA-N 1 3 174.288 0.694 10 0 ACAEHO CCN(C)C[C@@H]1CSC[C@H]1[NH3+] 249848797 572190517 /nfs/dbraw/zinc/19/05/17/572190517.db2.gz ADBHVTIUCHWQIH-HTQZYQBOSA-N 1 3 174.313 0.628 10 0 ACAEHO CCCN1CCCN(C)C[C@H]1C[NH3+] 249864424 572190604 /nfs/dbraw/zinc/19/06/04/572190604.db2.gz BEHNBYZVLWDQLL-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CC[C@@](C[NH3+])(NCCOC)C1CC1 83057380 572190631 /nfs/dbraw/zinc/19/06/31/572190631.db2.gz ADTRIJRWTLJINM-JTQLQIEISA-N 1 3 186.299 0.740 10 0 ACAEHO CCCCN1CCCN(C)C[C@H]1C[NH3+] 249857620 572190656 /nfs/dbraw/zinc/19/06/56/572190656.db2.gz MMKFFTXHKKQQIX-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](O)C1 36128412 572191180 /nfs/dbraw/zinc/19/11/80/572191180.db2.gz FBLLBCWWXUNZJX-GARJFASQSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](O)C1 36128412 572191184 /nfs/dbraw/zinc/19/11/84/572191184.db2.gz FBLLBCWWXUNZJX-GARJFASQSA-N 1 3 198.310 0.571 10 0 ACAEHO CCCC[N@@H+]1CCN(C)[C@@H](CN)C1 249852733 572191324 /nfs/dbraw/zinc/19/13/24/572191324.db2.gz KBIJDTRBDTTWOR-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CCCC[N@H+]1CCN(C)[C@@H](CN)C1 249852733 572191327 /nfs/dbraw/zinc/19/13/27/572191327.db2.gz KBIJDTRBDTTWOR-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CCN(C)C[C@H]1CSC[C@H]1[NH3+] 249848799 572191348 /nfs/dbraw/zinc/19/13/48/572191348.db2.gz ADBHVTIUCHWQIH-JGVFFNPUSA-N 1 3 174.313 0.628 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](O)C1 36128414 572192648 /nfs/dbraw/zinc/19/26/48/572192648.db2.gz FBLLBCWWXUNZJX-DCAQKATOSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](O)C1 36128414 572192651 /nfs/dbraw/zinc/19/26/51/572192651.db2.gz FBLLBCWWXUNZJX-DCAQKATOSA-N 1 3 198.310 0.571 10 0 ACAEHO CCCN1CCCN(C)[C@@H](C[NH2+]C)C1 249870525 572192735 /nfs/dbraw/zinc/19/27/35/572192735.db2.gz CNRJPMXZHYWPHT-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@](C[NH3+])(NCCOC)C1CC1 83057378 572192762 /nfs/dbraw/zinc/19/27/62/572192762.db2.gz ADTRIJRWTLJINM-SNVBAGLBSA-N 1 3 186.299 0.740 10 0 ACAEHO CCCCN1C[C@H](C[NH3+])N(C)C[C@H]1C 249899417 572193528 /nfs/dbraw/zinc/19/35/28/572193528.db2.gz WAHNCGWZOGADKR-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@@H+]1C[C@H](CN)N(C)C[C@H]1C 249899417 572193530 /nfs/dbraw/zinc/19/35/30/572193530.db2.gz WAHNCGWZOGADKR-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@H+]1C[C@H](CN)N(C)C[C@H]1C 249899417 572193532 /nfs/dbraw/zinc/19/35/32/572193532.db2.gz WAHNCGWZOGADKR-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1CCCCN1C[C@@H](O)C[NH3+] 19685133 572193749 /nfs/dbraw/zinc/19/37/49/572193749.db2.gz IFQUCXFBCUNWFA-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CCCCN1CCN(CCC[NH3+])CC1 19688172 572193765 /nfs/dbraw/zinc/19/37/65/572193765.db2.gz WBKNTZBBWJPZOU-UHFFFAOYSA-N 1 3 199.342 0.753 10 0 ACAEHO CCC[N@@H+]1C[C@@H](CNC)N(C)C[C@H]1C 249875446 572194124 /nfs/dbraw/zinc/19/41/24/572194124.db2.gz DPPCBKBFJMMEAO-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[N@H+]1C[C@@H](CNC)N(C)C[C@H]1C 249875446 572194128 /nfs/dbraw/zinc/19/41/28/572194128.db2.gz DPPCBKBFJMMEAO-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCCCN1C[C@@H](C[NH3+])N(C)C[C@H]1C 249899414 572194179 /nfs/dbraw/zinc/19/41/79/572194179.db2.gz WAHNCGWZOGADKR-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@@H+]1C[C@@H](CN)N(C)C[C@H]1C 249899414 572194184 /nfs/dbraw/zinc/19/41/84/572194184.db2.gz WAHNCGWZOGADKR-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@H+]1C[C@@H](CN)N(C)C[C@H]1C 249899414 572194187 /nfs/dbraw/zinc/19/41/87/572194187.db2.gz WAHNCGWZOGADKR-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1CCCCN1C[C@@H](O)C[NH3+] 19685132 572194769 /nfs/dbraw/zinc/19/47/69/572194769.db2.gz IFQUCXFBCUNWFA-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C1CC2(CC[NH2+]1)CCN(C1COC1)C2 687792946 572194979 /nfs/dbraw/zinc/19/49/79/572194979.db2.gz LJIHCQWAYAXIED-UHFFFAOYSA-N 1 3 196.294 0.461 10 0 ACAEHO CC(C)CN1C[C@@H]2C[NH2+]C[C@H](C1)C2O 19723294 572194993 /nfs/dbraw/zinc/19/49/93/572194993.db2.gz QUIVXWVVDRVNLC-ZACCUICWSA-N 1 3 198.310 0.155 10 0 ACAEHO CCCN1CC[C@H](C)[N@H+](C)C[C@H]1CN 249950634 572196359 /nfs/dbraw/zinc/19/63/59/572196359.db2.gz IFXNGPHUBHBDPU-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN1CC[C@H](C)[N@@H+](C)C[C@H]1CN 249950634 572196360 /nfs/dbraw/zinc/19/63/60/572196360.db2.gz IFXNGPHUBHBDPU-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCC[N@@H+]1C[C@H](CNC)N(C)C[C@H]1C 249875449 572195584 /nfs/dbraw/zinc/19/55/84/572195584.db2.gz DPPCBKBFJMMEAO-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[N@H+]1C[C@H](CNC)N(C)C[C@H]1C 249875449 572195589 /nfs/dbraw/zinc/19/55/89/572195589.db2.gz DPPCBKBFJMMEAO-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCC[N@H+]1C[C@H](CCO)C[C@@H](N)C1 249943831 572196420 /nfs/dbraw/zinc/19/64/20/572196420.db2.gz HFNRFQZPTOJCJS-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC[N@@H+]1C[C@H](CCO)C[C@@H](N)C1 249943831 572196422 /nfs/dbraw/zinc/19/64/22/572196422.db2.gz HFNRFQZPTOJCJS-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCCN1CCN(C)[C@@H](CC[NH3+])C1 249883555 572196501 /nfs/dbraw/zinc/19/65/01/572196501.db2.gz GCVLQBXQOGRJEO-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CC[C@@H](C(N)=[NH2+])N1CCCN(C)CC1 43540857 572196564 /nfs/dbraw/zinc/19/65/64/572196564.db2.gz GLEIBSLDFCTRLJ-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO CCCCN1C[C@H](C[NH3+])N(C)[C@H](C)C1 249881405 572196645 /nfs/dbraw/zinc/19/66/45/572196645.db2.gz NSWLYDMYKBGIHF-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@H+]1C[C@H](CN)N(C)[C@H](C)C1 249881405 572196646 /nfs/dbraw/zinc/19/66/46/572196646.db2.gz NSWLYDMYKBGIHF-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@@H+]1C[C@H](CN)N(C)[C@H](C)C1 249881405 572196649 /nfs/dbraw/zinc/19/66/49/572196649.db2.gz NSWLYDMYKBGIHF-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[NH+](CC)C[C@H]1CN(C)CC[C@H]1N 249955148 572196798 /nfs/dbraw/zinc/19/67/98/572196798.db2.gz LEMSCFNKNZSNHN-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CCN(CC)C[C@H]1CN(C)CC[C@H]1[NH3+] 249955148 572196802 /nfs/dbraw/zinc/19/68/02/572196802.db2.gz LEMSCFNKNZSNHN-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@H]1C[C@H]1NCC[NH3+] 234090908 572196766 /nfs/dbraw/zinc/19/67/66/572196766.db2.gz JTTJEBFRCUXVBX-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CC(C)N1CCN([C@H](C)C(N)=[NH2+])CC1 43528550 572196769 /nfs/dbraw/zinc/19/67/69/572196769.db2.gz AVJANJGEZAOLDE-SECBINFHSA-N 1 3 198.314 0.337 10 0 ACAEHO CCC[N@@H+]1C[C@H](CN)N(C)C[C@H]1C 249949537 572196899 /nfs/dbraw/zinc/19/68/99/572196899.db2.gz IDGXCDPGYHUXRZ-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCC[N@H+]1C[C@H](CN)N(C)C[C@H]1C 249949537 572196902 /nfs/dbraw/zinc/19/69/02/572196902.db2.gz IDGXCDPGYHUXRZ-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCCN1C[C@@H](C)C[N@H+](C)C[C@H]1CN 249945125 572197006 /nfs/dbraw/zinc/19/70/06/572197006.db2.gz HKYGNCYTZZIOPU-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO CCCN1C[C@@H](C)C[N@@H+](C)C[C@H]1CN 249945125 572197008 /nfs/dbraw/zinc/19/70/08/572197008.db2.gz HKYGNCYTZZIOPU-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO CN(C)CCO[C@H]1CC[C@H]([NH3+])CC1 249955086 572197014 /nfs/dbraw/zinc/19/70/14/572197014.db2.gz BNHPVLGAADHKIG-MGCOHNPYSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)N1CCN([C@@H](C)C(N)=[NH2+])CC1 43528548 572197119 /nfs/dbraw/zinc/19/71/19/572197119.db2.gz AVJANJGEZAOLDE-VIFPVBQESA-N 1 3 198.314 0.337 10 0 ACAEHO CCCN1C[C@H](C)C[N@H+](C)C[C@H]1CN 249945123 572197411 /nfs/dbraw/zinc/19/74/11/572197411.db2.gz HKYGNCYTZZIOPU-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CCCN1C[C@H](C)C[N@@H+](C)C[C@H]1CN 249945123 572197416 /nfs/dbraw/zinc/19/74/16/572197416.db2.gz HKYGNCYTZZIOPU-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CCN(CC)C[C@H]1CN(C)C[C@H]1[NH3+] 249937880 572197456 /nfs/dbraw/zinc/19/74/56/572197456.db2.gz GQUAXVXQRNWITO-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CCCN1CC[C@@H](C)[N@H+](C)C[C@H]1CN 249950631 572197470 /nfs/dbraw/zinc/19/74/70/572197470.db2.gz IFXNGPHUBHBDPU-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN1CC[C@@H](C)[N@@H+](C)C[C@H]1CN 249950631 572197473 /nfs/dbraw/zinc/19/74/73/572197473.db2.gz IFXNGPHUBHBDPU-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H](C(N)=[NH2+])N1CCCN(C)CC1 43540858 572197980 /nfs/dbraw/zinc/19/79/80/572197980.db2.gz GLEIBSLDFCTRLJ-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO CC[NH+](CC)C[C@@H]1CN(C)CC[C@H]1N 249955153 572198126 /nfs/dbraw/zinc/19/81/26/572198126.db2.gz LEMSCFNKNZSNHN-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO CCN(CC)C[C@@H]1CN(C)CC[C@H]1[NH3+] 249955153 572198129 /nfs/dbraw/zinc/19/81/29/572198129.db2.gz LEMSCFNKNZSNHN-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO CCN(CC)C[C@@H]1CN(C)C[C@H]1[NH3+] 249937897 572198252 /nfs/dbraw/zinc/19/82/52/572198252.db2.gz GQUAXVXQRNWITO-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CCCCN1C[C@H](C)N(C)[C@@H](C[NH3+])C1 249881407 572198261 /nfs/dbraw/zinc/19/82/61/572198261.db2.gz NSWLYDMYKBGIHF-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@@H+]1C[C@H](C)N(C)[C@@H](CN)C1 249881407 572198263 /nfs/dbraw/zinc/19/82/63/572198263.db2.gz NSWLYDMYKBGIHF-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCC[N@H+]1C[C@H](C)N(C)[C@@H](CN)C1 249881407 572198266 /nfs/dbraw/zinc/19/82/66/572198266.db2.gz NSWLYDMYKBGIHF-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)CCNc1ccc(NN)[nH+]c1 36221190 572198594 /nfs/dbraw/zinc/19/85/94/572198594.db2.gz FQBDIADWKXBIGQ-UHFFFAOYSA-N 1 3 195.270 0.341 10 0 ACAEHO CC[C@H]1C[C@H]1NC[C@@H](C)[NH3+] 234093472 572199377 /nfs/dbraw/zinc/19/93/77/572199377.db2.gz OTOXULWYNFFWEG-GJMOJQLCSA-N 1 3 142.246 0.722 10 0 ACAEHO CCC[N@@H+]1C[C@H](N)C[C@H](CCO)C1 249943836 572198654 /nfs/dbraw/zinc/19/86/54/572198654.db2.gz HFNRFQZPTOJCJS-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC[N@H+]1C[C@H](N)C[C@H](CCO)C1 249943836 572198659 /nfs/dbraw/zinc/19/86/59/572198659.db2.gz HFNRFQZPTOJCJS-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@H]1C[C@H]1NCC1([NH3+])CC1 234089003 572198725 /nfs/dbraw/zinc/19/87/25/572198725.db2.gz ACZLWSMGHGNKPW-JGVFFNPUSA-N 1 3 154.257 0.866 10 0 ACAEHO CCC[N@@H+]1C[C@@H](CN)N(C)C[C@H]1C 249949534 572198805 /nfs/dbraw/zinc/19/88/05/572198805.db2.gz IDGXCDPGYHUXRZ-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCC[N@H+]1C[C@@H](CN)N(C)C[C@H]1C 249949534 572198808 /nfs/dbraw/zinc/19/88/08/572198808.db2.gz IDGXCDPGYHUXRZ-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@H]1C[C@H]1NCC1C[NH2+]C1 234089274 572198857 /nfs/dbraw/zinc/19/88/57/572198857.db2.gz ZZWXLWRAASLXGQ-DTWKUNHWSA-N 1 3 154.257 0.594 10 0 ACAEHO CC[C@H]1C[C@H]1[NH2+]CC1CNC1 234089274 572198858 /nfs/dbraw/zinc/19/88/58/572198858.db2.gz ZZWXLWRAASLXGQ-DTWKUNHWSA-N 1 3 154.257 0.594 10 0 ACAEHO CCC[N@H+]1C[C@H](C)N(C)[C@@H](CN)C1 249957393 572199270 /nfs/dbraw/zinc/19/92/70/572199270.db2.gz JDNJHGYFMBHSFE-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN(C)[C@H]1CC[C@@H]2C[N@H+](C)C[C@H]1[C@@H]2O 78221201 572199209 /nfs/dbraw/zinc/19/92/09/572199209.db2.gz KJOZQPDRAILLFG-CHWFTXMASA-N 1 3 198.310 0.249 10 0 ACAEHO CN(C)[C@H]1CC[C@@H]2C[N@@H+](C)C[C@H]1[C@@H]2O 78221201 572199213 /nfs/dbraw/zinc/19/92/13/572199213.db2.gz KJOZQPDRAILLFG-CHWFTXMASA-N 1 3 198.310 0.249 10 0 ACAEHO CCC[N@@H+]1CC[C@@]2(C1)[C@@H](N)CCN2C 711937294 572199218 /nfs/dbraw/zinc/19/92/18/572199218.db2.gz WGXRKQRGJDLUGD-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CCC[N@H+]1CC[C@@]2(C1)[C@@H](N)CCN2C 711937294 572199220 /nfs/dbraw/zinc/19/92/20/572199220.db2.gz WGXRKQRGJDLUGD-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CCC[N@@H+]1C[C@H](C)N(C)[C@@H](CN)C1 249957393 572199268 /nfs/dbraw/zinc/19/92/68/572199268.db2.gz JDNJHGYFMBHSFE-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCCN1CCN(CCC(N)=[NH2+])CC1 19802710 572199692 /nfs/dbraw/zinc/19/96/92/572199692.db2.gz JTRPJURSVHRQPY-UHFFFAOYSA-N 1 3 198.314 0.340 10 0 ACAEHO CCCN1[C@@H](C)CC[NH2+]C[C@H]1CO 249964061 572199863 /nfs/dbraw/zinc/19/98/63/572199863.db2.gz JYAZTWIEQHUBJJ-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CCC[N@H+]1C[C@H](CN)N(C)[C@H](C)C1 249957398 572201755 /nfs/dbraw/zinc/20/17/55/572201755.db2.gz JDNJHGYFMBHSFE-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCC[N@@H+]1C[C@H](CN)N(C)[C@H](C)C1 249957398 572201757 /nfs/dbraw/zinc/20/17/57/572201757.db2.gz JDNJHGYFMBHSFE-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H](C)NCC1C(=O)[O+]=NN1C 83250906 572201759 /nfs/dbraw/zinc/20/17/59/572201759.db2.gz LJENWCHRQWILLX-ZCFIWIBFSA-O 1 3 186.235 0.093 10 0 ACAEHO C[C@H](CN)[N@H+](C)C1CCN(C)CC1 19794314 572202299 /nfs/dbraw/zinc/20/22/99/572202299.db2.gz KOGCNEQGWCNWOA-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H](CN)[N@@H+](C)C1CCN(C)CC1 19794314 572202301 /nfs/dbraw/zinc/20/23/01/572202301.db2.gz KOGCNEQGWCNWOA-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN1CC[C@H](Nc2cc(N)cc[nH+]2)C1 43569122 572202305 /nfs/dbraw/zinc/20/23/05/572202305.db2.gz GVXLIDRMPUHMOQ-VIFPVBQESA-N 1 3 192.266 0.780 10 0 ACAEHO CC[C@H](C)NCC1C(=O)[O+]=NN1C 83250907 572202455 /nfs/dbraw/zinc/20/24/55/572202455.db2.gz LJENWCHRQWILLX-LURJTMIESA-O 1 3 186.235 0.093 10 0 ACAEHO C[C@@H]1CCC[N@@H+]([C@@H]2COCC[C@@H]2N)C1 36305209 572202606 /nfs/dbraw/zinc/20/26/06/572202606.db2.gz KKJFDMWPHRMANF-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCC[N@H+]([C@@H]2COCC[C@@H]2N)C1 36305209 572202607 /nfs/dbraw/zinc/20/26/07/572202607.db2.gz KKJFDMWPHRMANF-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO CCC[N@H+](C)CCCN 19834719 572203002 /nfs/dbraw/zinc/20/30/02/572203002.db2.gz SMGLLZNMFIPPIT-UHFFFAOYSA-N 1 3 130.235 0.677 10 0 ACAEHO CCC[N@@H+](C)CCCN 19834719 572203004 /nfs/dbraw/zinc/20/30/04/572203004.db2.gz SMGLLZNMFIPPIT-UHFFFAOYSA-N 1 3 130.235 0.677 10 0 ACAEHO CCCN(C)CCC[NH3+] 19834719 572203007 /nfs/dbraw/zinc/20/30/07/572203007.db2.gz SMGLLZNMFIPPIT-UHFFFAOYSA-N 1 3 130.235 0.677 10 0 ACAEHO CC[C@H]1C[C@@H]1NCC[NH3+] 234099356 572203271 /nfs/dbraw/zinc/20/32/71/572203271.db2.gz JTTJEBFRCUXVBX-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CN1CC[C@@H](Nc2cc(N)cc[nH+]2)C1 43569123 572203493 /nfs/dbraw/zinc/20/34/93/572203493.db2.gz GVXLIDRMPUHMOQ-SECBINFHSA-N 1 3 192.266 0.780 10 0 ACAEHO CC[C@H]1C[C@@H]1NCC1C[NH2+]C1 234097565 572204273 /nfs/dbraw/zinc/20/42/73/572204273.db2.gz ZZWXLWRAASLXGQ-IUCAKERBSA-N 1 3 154.257 0.594 10 0 ACAEHO CC[C@H]1C[C@@H]1[NH2+]CC1CNC1 234097565 572204276 /nfs/dbraw/zinc/20/42/76/572204276.db2.gz ZZWXLWRAASLXGQ-IUCAKERBSA-N 1 3 154.257 0.594 10 0 ACAEHO CC[C@H]1C[C@@H]1NCC1([NH3+])CC1 234097274 572204339 /nfs/dbraw/zinc/20/43/39/572204339.db2.gz ACZLWSMGHGNKPW-YUMQZZPRSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H]1CCCC[N@@H+]1[C@@H]1COCC[C@@H]1N 36305189 572204481 /nfs/dbraw/zinc/20/44/81/572204481.db2.gz PUBXLZJMMTYJNV-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1CCCC[N@H+]1[C@@H]1COCC[C@@H]1N 36305189 572204483 /nfs/dbraw/zinc/20/44/83/572204483.db2.gz PUBXLZJMMTYJNV-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO CCCN(C)CCC(N)=[NH2+] 19834290 572204939 /nfs/dbraw/zinc/20/49/39/572204939.db2.gz KJEDYJAGLLEQKX-UHFFFAOYSA-N 1 3 143.234 0.654 10 0 ACAEHO CN(CCC[NH3+])c1ccncc1 19834404 572205097 /nfs/dbraw/zinc/20/50/97/572205097.db2.gz WNEAWUBILXHJRR-UHFFFAOYSA-N 1 3 165.240 0.867 10 0 ACAEHO C[C@@H]1CCCN(CCN(C)C)[C@@H]1C[NH3+] 43617027 572206007 /nfs/dbraw/zinc/20/60/07/572206007.db2.gz ZLXQGOCYVMKRSE-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO COCCN[C@@]1(C[NH3+])CCC[C@@H]1C 83392771 572206557 /nfs/dbraw/zinc/20/65/57/572206557.db2.gz CGWKCYHHBIVFCZ-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@](N)(C[NH2+]C[C@@H]1CCCO1)C1CC1 40410478 572206700 /nfs/dbraw/zinc/20/67/00/572206700.db2.gz MECZUNGQQGARCB-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]1CC[NH2+][C@H](C)CN1CCN(C)C 219822775 572207441 /nfs/dbraw/zinc/20/74/41/572207441.db2.gz LOCRFSLFCABUAE-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO COCCN[C@@]1(C[NH3+])CCC[C@H]1C 83392769 572207922 /nfs/dbraw/zinc/20/79/22/572207922.db2.gz CGWKCYHHBIVFCZ-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO CCn1ccnc1NC[C@@H](C)C[NH3+] 83387525 572208263 /nfs/dbraw/zinc/20/82/63/572208263.db2.gz LBPOYYFJADIICG-QMMMGPOBSA-N 1 3 182.271 0.910 10 0 ACAEHO COCCN[C@]1(C[NH3+])CCC[C@@H]1C 83392766 572208289 /nfs/dbraw/zinc/20/82/89/572208289.db2.gz CGWKCYHHBIVFCZ-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@](C)(C[NH3+])OCCN(C)C 83400956 572209407 /nfs/dbraw/zinc/20/94/07/572209407.db2.gz LBJMEVNYBKUWDC-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CC(C)[C@@H](CN)[N@@H+]1CCCN(C)CC1 20217695 572210171 /nfs/dbraw/zinc/21/01/71/572210171.db2.gz ZBBVBNLNJBXWGH-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)[C@@H](CN)[N@H+]1CCCN(C)CC1 20217695 572210175 /nfs/dbraw/zinc/21/01/75/572210175.db2.gz ZBBVBNLNJBXWGH-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCCN(C)CC1 20217701 572210528 /nfs/dbraw/zinc/21/05/28/572210528.db2.gz VGMCOKAFKLFZDQ-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CN1CCCN(C2CC[NH2+]CC2)CC1 20217635 572210560 /nfs/dbraw/zinc/21/05/60/572210560.db2.gz HFDLTQWWTKBNFG-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO CC(C)[C@H](CN)[N@@H+]1CCCN(C)CC1 20217696 572210594 /nfs/dbraw/zinc/21/05/94/572210594.db2.gz ZBBVBNLNJBXWGH-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)[C@H](CN)[N@H+]1CCCN(C)CC1 20217696 572210598 /nfs/dbraw/zinc/21/05/98/572210598.db2.gz ZBBVBNLNJBXWGH-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@@](C)(CN)[N@@H+]1CCCN(C)CC1 20217727 572211239 /nfs/dbraw/zinc/21/12/39/572211239.db2.gz XOJMGZVDGFMMBZ-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@@](C)(CN)[N@H+]1CCCN(C)CC1 20217727 572211242 /nfs/dbraw/zinc/21/12/42/572211242.db2.gz XOJMGZVDGFMMBZ-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@@](C)(C[NH3+])N1CCCN(C)CC1 20217727 572211243 /nfs/dbraw/zinc/21/12/43/572211243.db2.gz XOJMGZVDGFMMBZ-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@H](C[NH3+])N1CCCN(C)CC1 20217702 572212920 /nfs/dbraw/zinc/21/29/20/572212920.db2.gz VGMCOKAFKLFZDQ-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CC[NH2+]C[C@@H](O)CN1CC[C@H](C)C1 40717842 572211453 /nfs/dbraw/zinc/21/14/53/572211453.db2.gz HXHXQMUNOQEKKH-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+]1CC[C@H](C)C1 40717842 572211455 /nfs/dbraw/zinc/21/14/55/572211455.db2.gz HXHXQMUNOQEKKH-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO CCNC[C@@H](O)C[N@H+]1CC[C@H](C)C1 40717842 572211459 /nfs/dbraw/zinc/21/14/59/572211459.db2.gz HXHXQMUNOQEKKH-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO CCCN1C[C@@H]2CC([NH3+])C[C@H](C1)N2C 36448548 572211766 /nfs/dbraw/zinc/21/17/66/572211766.db2.gz SKKXQRGUHCFIIS-FGWVZKOKSA-N 1 3 197.326 0.502 10 0 ACAEHO CN1CCCN(C(C)(C)C[NH3+])CC1 20217753 572211806 /nfs/dbraw/zinc/21/18/06/572211806.db2.gz OZVGIEQBSPIQBC-UHFFFAOYSA-N 1 3 185.315 0.361 10 0 ACAEHO COCCC[N@@H+]1C[C@H](N)CC[C@H]1C 40740132 572212275 /nfs/dbraw/zinc/21/22/75/572212275.db2.gz ZWLCKDDBJUGXNN-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCCC[N@H+]1C[C@H](N)CC[C@H]1C 40740132 572212280 /nfs/dbraw/zinc/21/22/80/572212280.db2.gz ZWLCKDDBJUGXNN-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[NH2+]C[C@H](O)CN1CC[C@H](C)C1 40717840 572212603 /nfs/dbraw/zinc/21/26/03/572212603.db2.gz HXHXQMUNOQEKKH-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCNC[C@H](O)C[N@@H+]1CC[C@H](C)C1 40717840 572212605 /nfs/dbraw/zinc/21/26/05/572212605.db2.gz HXHXQMUNOQEKKH-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCNC[C@H](O)C[N@H+]1CC[C@H](C)C1 40717840 572212607 /nfs/dbraw/zinc/21/26/07/572212607.db2.gz HXHXQMUNOQEKKH-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@](C)(CN)[N@@H+]1CCCN(C)CC1 20217728 572213097 /nfs/dbraw/zinc/21/30/97/572213097.db2.gz XOJMGZVDGFMMBZ-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@](C)(CN)[N@H+]1CCCN(C)CC1 20217728 572213100 /nfs/dbraw/zinc/21/31/00/572213100.db2.gz XOJMGZVDGFMMBZ-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@](C)(C[NH3+])N1CCCN(C)CC1 20217728 572213103 /nfs/dbraw/zinc/21/31/03/572213103.db2.gz XOJMGZVDGFMMBZ-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO COCCC[N@@H+]1C[C@@H](N)CC[C@H]1C 40740128 572213246 /nfs/dbraw/zinc/21/32/46/572213246.db2.gz ZWLCKDDBJUGXNN-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO COCCC[N@H+]1C[C@@H](N)CC[C@H]1C 40740128 572213247 /nfs/dbraw/zinc/21/32/47/572213247.db2.gz ZWLCKDDBJUGXNN-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H](C)N1CCCN(C)CC1 20260629 572213873 /nfs/dbraw/zinc/21/38/73/572213873.db2.gz VNQPAGYBLYDLIP-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)CCNC[C@@H]1CCC[NH2+]C1 41203283 572214615 /nfs/dbraw/zinc/21/46/15/572214615.db2.gz QHVUTPZQBFUCKR-SNVBAGLBSA-N 1 3 185.315 0.137 10 0 ACAEHO CC[C@H]([NH3+])[C@@H](C)N1CCCN(C)CC1 20260632 572214791 /nfs/dbraw/zinc/21/47/91/572214791.db2.gz VNQPAGYBLYDLIP-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]([NH3+])C[C@H]1CCCCN1CCO 687795518 572214926 /nfs/dbraw/zinc/21/49/26/572214926.db2.gz AOYODZVCXVNRII-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]([NH3+])C[C@@H]1CCCCN1CCO 687795519 572215277 /nfs/dbraw/zinc/21/52/77/572215277.db2.gz AOYODZVCXVNRII-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]([NH3+])C[C@H]1CCCCN1CCO 687795520 572215287 /nfs/dbraw/zinc/21/52/87/572215287.db2.gz AOYODZVCXVNRII-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]([NH3+])[C@H](C)N1CCCN(C)CC1 20260638 572215642 /nfs/dbraw/zinc/21/56/42/572215642.db2.gz VNQPAGYBLYDLIP-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H]1CCCCN1CCO 687795521 572215675 /nfs/dbraw/zinc/21/56/75/572215675.db2.gz AOYODZVCXVNRII-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO Cc1nn(CCN(C)C)c(C)c1C[NH3+] 20397153 572218060 /nfs/dbraw/zinc/21/80/60/572218060.db2.gz URFIDEXMKAFXPN-UHFFFAOYSA-N 1 3 196.298 0.520 10 0 ACAEHO CCN(C)CCC[N@H+](C)CCCO 196210146 572216552 /nfs/dbraw/zinc/21/65/52/572216552.db2.gz NDTDXXMAMVVCQD-UHFFFAOYSA-N 1 3 188.315 0.642 10 0 ACAEHO CCN(C)CCC[N@@H+](C)CCCO 196210146 572216553 /nfs/dbraw/zinc/21/65/53/572216553.db2.gz NDTDXXMAMVVCQD-UHFFFAOYSA-N 1 3 188.315 0.642 10 0 ACAEHO COCCN[C@@H]1CCC[N@H+](C)CC1 83417703 572216979 /nfs/dbraw/zinc/21/69/79/572216979.db2.gz YDDBIBCYCLLRTL-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO COCCN[C@@H]1CCC[N@@H+](C)CC1 83417703 572216981 /nfs/dbraw/zinc/21/69/81/572216981.db2.gz YDDBIBCYCLLRTL-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@H](CO)CN1C[C@H]2C[N@H+](C)C[C@H]2C1 687796769 572217237 /nfs/dbraw/zinc/21/72/37/572217237.db2.gz KHVWZGNROBYCSF-GARJFASQSA-N 1 3 198.310 0.108 10 0 ACAEHO C[C@H](CO)CN1C[C@H]2C[N@@H+](C)C[C@H]2C1 687796769 572217239 /nfs/dbraw/zinc/21/72/39/572217239.db2.gz KHVWZGNROBYCSF-GARJFASQSA-N 1 3 198.310 0.108 10 0 ACAEHO CC[C@H](CC(N)=[NH2+])N(C)C 36678417 572217253 /nfs/dbraw/zinc/21/72/53/572217253.db2.gz DYYUMWWZJLQSDV-ZCFIWIBFSA-N 1 3 143.234 0.653 10 0 ACAEHO NCCC[NH2+][C@@H]1CCCOCC1 83425406 572217513 /nfs/dbraw/zinc/21/75/13/572217513.db2.gz GZTSYGAYMFGTEP-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO CCN1CCC[C@H]([NH2+]CCO)CC1 83421873 572217595 /nfs/dbraw/zinc/21/75/95/572217595.db2.gz ZWPXXKCXWBYYIG-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CC[N@@H+]1CCC[C@H](NCCO)CC1 83421873 572217597 /nfs/dbraw/zinc/21/75/97/572217597.db2.gz ZWPXXKCXWBYYIG-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CC[N@H+]1CCC[C@H](NCCO)CC1 83421873 572217600 /nfs/dbraw/zinc/21/76/00/572217600.db2.gz ZWPXXKCXWBYYIG-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CC[C@H]1C[C@@H]1NC[C@@H](C)[NH3+] 234101405 572217837 /nfs/dbraw/zinc/21/78/37/572217837.db2.gz OTOXULWYNFFWEG-CSMHCCOUSA-N 1 3 142.246 0.722 10 0 ACAEHO CC[C@@H](CC(N)=[NH2+])N(C)C 36678416 572217867 /nfs/dbraw/zinc/21/78/67/572217867.db2.gz DYYUMWWZJLQSDV-LURJTMIESA-N 1 3 143.234 0.653 10 0 ACAEHO NCCC[NH2+][C@H]1CCCOCC1 83425405 572218409 /nfs/dbraw/zinc/21/84/09/572218409.db2.gz GZTSYGAYMFGTEP-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO CC[C@@H](CCN)[NH+](C)C 36677507 572218421 /nfs/dbraw/zinc/21/84/21/572218421.db2.gz MBEXMIIXELRLML-ZETCQYMHSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[C@@H](CC[NH3+])N(C)C 36677507 572218425 /nfs/dbraw/zinc/21/84/25/572218425.db2.gz MBEXMIIXELRLML-ZETCQYMHSA-N 1 3 130.235 0.675 10 0 ACAEHO CCN1CCC[C@@H]([NH2+]CCO)CC1 83421876 572218470 /nfs/dbraw/zinc/21/84/70/572218470.db2.gz ZWPXXKCXWBYYIG-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC[N@@H+]1CCC[C@@H](NCCO)CC1 83421876 572218473 /nfs/dbraw/zinc/21/84/73/572218473.db2.gz ZWPXXKCXWBYYIG-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC[N@H+]1CCC[C@@H](NCCO)CC1 83421876 572218474 /nfs/dbraw/zinc/21/84/74/572218474.db2.gz ZWPXXKCXWBYYIG-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC[C@H](CCN)[NH+](C)C 36677508 572218690 /nfs/dbraw/zinc/21/86/90/572218690.db2.gz MBEXMIIXELRLML-SSDOTTSWSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[C@H](CC[NH3+])N(C)C 36677508 572218691 /nfs/dbraw/zinc/21/86/91/572218691.db2.gz MBEXMIIXELRLML-SSDOTTSWSA-N 1 3 130.235 0.675 10 0 ACAEHO CCC[NH2+][C@@]1(CN)CCCN(C)CC1 83419464 572218779 /nfs/dbraw/zinc/21/87/79/572218779.db2.gz XMOGQTUKNNKZBC-NSHDSACASA-N 1 3 199.342 0.799 10 0 ACAEHO C[C@H](CO)CN1C[C@H]2C[NH+](C)C[C@@H]2C1 687796770 572218838 /nfs/dbraw/zinc/21/88/38/572218838.db2.gz KHVWZGNROBYCSF-HBNTYKKESA-N 1 3 198.310 0.108 10 0 ACAEHO C[C@H](CO)CN1C[C@@H]2C[NH+](C)C[C@H]2C1 687796768 572219104 /nfs/dbraw/zinc/21/91/04/572219104.db2.gz KHVWZGNROBYCSF-DCAQKATOSA-N 1 3 198.310 0.108 10 0 ACAEHO CCC[NH2+][C@]1(CN)CCCN(C)CC1 83419461 572219245 /nfs/dbraw/zinc/21/92/45/572219245.db2.gz XMOGQTUKNNKZBC-LLVKDONJSA-N 1 3 199.342 0.799 10 0 ACAEHO C[C@H]([NH3+])CCN1CCCN(C)CC1 20429219 572219474 /nfs/dbraw/zinc/21/94/74/572219474.db2.gz GFCUNVCCBYKNFJ-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@@H](CO)CN1C[C@H]2C[N@H+](C)C[C@H]2C1 687796771 572219514 /nfs/dbraw/zinc/21/95/14/572219514.db2.gz KHVWZGNROBYCSF-MXWKQRLJSA-N 1 3 198.310 0.108 10 0 ACAEHO C[C@@H](CO)CN1C[C@H]2C[N@@H+](C)C[C@H]2C1 687796771 572219518 /nfs/dbraw/zinc/21/95/18/572219518.db2.gz KHVWZGNROBYCSF-MXWKQRLJSA-N 1 3 198.310 0.108 10 0 ACAEHO CC[C@H]1CN(C)CCCN1C(=[NH2+])NC 234107405 572220235 /nfs/dbraw/zinc/22/02/35/572220235.db2.gz RWUBHBKTRCETSV-VIFPVBQESA-N 1 3 198.314 0.557 10 0 ACAEHO CCN(C)CC[C@@H](C)[NH2+]C 43820194 572220259 /nfs/dbraw/zinc/22/02/59/572220259.db2.gz WVGONKLNGCOTJJ-MRVPVSSYSA-N 1 3 144.262 0.936 10 0 ACAEHO CN1CCC(OC[C@H]2CCC[NH2+]2)CC1 20440638 572220855 /nfs/dbraw/zinc/22/08/55/572220855.db2.gz IQEGCIZEGWZGHG-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO CCN(C)CC[C@H](C)[NH2+]C 43820197 572221010 /nfs/dbraw/zinc/22/10/10/572221010.db2.gz WVGONKLNGCOTJJ-QMMMGPOBSA-N 1 3 144.262 0.936 10 0 ACAEHO CC[C@H]1CN(C2(C[NH3+])CC2)CCN1C 234108715 572221564 /nfs/dbraw/zinc/22/15/64/572221564.db2.gz WRPSFRNWWDVPJL-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC(OC[C@@H]2CCC[NH2+]2)CC1 20440634 572221691 /nfs/dbraw/zinc/22/16/91/572221691.db2.gz IQEGCIZEGWZGHG-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+][C@@H](C)CCN1CCCN(C)CC1 43818255 572222514 /nfs/dbraw/zinc/22/25/14/572222514.db2.gz RKZBMECGZLGESD-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CN(CCC[NH3+])C1CC1 36732072 572222702 /nfs/dbraw/zinc/22/27/02/572222702.db2.gz CMOHRTBZFZWVPQ-UHFFFAOYSA-N 1 3 128.219 0.429 10 0 ACAEHO CC[C@@](C)(O)C[NH2+]C1CCNCC1 83462373 572223155 /nfs/dbraw/zinc/22/31/55/572223155.db2.gz CMHWNBPMARYFLU-SNVBAGLBSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[C@@](C)(O)CNC1CC[NH2+]CC1 83462373 572223159 /nfs/dbraw/zinc/22/31/59/572223159.db2.gz CMHWNBPMARYFLU-SNVBAGLBSA-N 1 3 186.299 0.489 10 0 ACAEHO CC1(C)C[C@H]([NH2+]CCCN)CCO1 70357100 572224016 /nfs/dbraw/zinc/22/40/16/572224016.db2.gz RCQMKRYNKYXKDQ-SECBINFHSA-N 1 3 186.299 0.882 10 0 ACAEHO Cc1cn(C[C@H](C)[NH+](C)C)c(N)n1 235200881 572224373 /nfs/dbraw/zinc/22/43/73/572224373.db2.gz YMYROFMSNYJQCN-QMMMGPOBSA-N 1 3 182.271 0.724 10 0 ACAEHO C[C@H](CCN)[N@H+](C)C[C@]12COC[C@H]1C2 689299718 572224403 /nfs/dbraw/zinc/22/44/03/572224403.db2.gz XHTTXATUGBRVPA-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)C[C@]12COC[C@H]1C2 689299718 572224404 /nfs/dbraw/zinc/22/44/04/572224404.db2.gz XHTTXATUGBRVPA-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](CC[NH3+])N(C)C[C@]12COC[C@H]1C2 689299718 572224407 /nfs/dbraw/zinc/22/44/07/572224407.db2.gz XHTTXATUGBRVPA-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO CC1(C)C[C@@H]([NH2+]CCCN)CCO1 70357101 572224602 /nfs/dbraw/zinc/22/46/02/572224602.db2.gz RCQMKRYNKYXKDQ-VIFPVBQESA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H](CCN)[N@H+](C)C[C@@]12COC[C@@H]1C2 689299725 572226840 /nfs/dbraw/zinc/22/68/40/572226840.db2.gz XHTTXATUGBRVPA-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)C[C@@]12COC[C@@H]1C2 689299725 572226843 /nfs/dbraw/zinc/22/68/43/572226843.db2.gz XHTTXATUGBRVPA-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](CC[NH3+])N(C)C[C@@]12COC[C@@H]1C2 689299725 572226845 /nfs/dbraw/zinc/22/68/45/572226845.db2.gz XHTTXATUGBRVPA-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCCN(C)CC1 36872016 572227478 /nfs/dbraw/zinc/22/74/78/572227478.db2.gz ZFPNQRSTIHDNGR-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CC[C@H](N)C[N@H+](C)CC 36872039 572228095 /nfs/dbraw/zinc/22/80/95/572228095.db2.gz SUAVTRWGUZCLCM-ZETCQYMHSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[C@H](N)C[N@@H+](C)CC 36872039 572228097 /nfs/dbraw/zinc/22/80/97/572228097.db2.gz SUAVTRWGUZCLCM-ZETCQYMHSA-N 1 3 130.235 0.675 10 0 ACAEHO NCCC[NH2+]CCC[C@H]1CCCO1 83526611 572228291 /nfs/dbraw/zinc/22/82/91/572228291.db2.gz NWTUPYKMCCVYBV-JTQLQIEISA-N 1 3 186.299 0.884 10 0 ACAEHO CC[C@@H](N)C[N@H+](C)CC 36872040 572228751 /nfs/dbraw/zinc/22/87/51/572228751.db2.gz SUAVTRWGUZCLCM-SSDOTTSWSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[C@@H](N)C[N@@H+](C)CC 36872040 572228754 /nfs/dbraw/zinc/22/87/54/572228754.db2.gz SUAVTRWGUZCLCM-SSDOTTSWSA-N 1 3 130.235 0.675 10 0 ACAEHO NCCC[NH2+]CCC[C@@H]1CCCO1 83526612 572229376 /nfs/dbraw/zinc/22/93/76/572229376.db2.gz NWTUPYKMCCVYBV-SNVBAGLBSA-N 1 3 186.299 0.884 10 0 ACAEHO CN(CCO)Cc1ccccc1C[NH3+] 37895167 572232285 /nfs/dbraw/zinc/23/22/85/572232285.db2.gz PFMVRERIGSHHST-UHFFFAOYSA-N 1 3 194.278 0.569 10 0 ACAEHO CN(CCO)[C@H]1CCCC[C@@H]1C[NH3+] 37899225 572232622 /nfs/dbraw/zinc/23/26/22/572232622.db2.gz GHCCSZSOHRDUFP-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCCC[C@@H]1CN 37899225 572232624 /nfs/dbraw/zinc/23/26/24/572232624.db2.gz GHCCSZSOHRDUFP-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCCC[C@@H]1CN 37899225 572232626 /nfs/dbraw/zinc/23/26/26/572232626.db2.gz GHCCSZSOHRDUFP-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCO)[C@@H]1CCCC[C@@H]1C[NH3+] 37899224 572232647 /nfs/dbraw/zinc/23/26/47/572232647.db2.gz GHCCSZSOHRDUFP-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCCC[C@@H]1CN 37899224 572232649 /nfs/dbraw/zinc/23/26/49/572232649.db2.gz GHCCSZSOHRDUFP-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCCC[C@@H]1CN 37899224 572232652 /nfs/dbraw/zinc/23/26/52/572232652.db2.gz GHCCSZSOHRDUFP-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CCCO 70543557 572233119 /nfs/dbraw/zinc/23/31/19/572233119.db2.gz LOXOBMZYGGOGOD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CCCO 70543557 572233121 /nfs/dbraw/zinc/23/31/21/572233121.db2.gz LOXOBMZYGGOGOD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCO)[C@@H]1CCC[C@@H]1C[NH3+] 37899222 572232987 /nfs/dbraw/zinc/23/29/87/572232987.db2.gz MFRCIFVVELHTFE-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCC[C@@H]1CN 37899222 572232989 /nfs/dbraw/zinc/23/29/89/572232989.db2.gz MFRCIFVVELHTFE-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCCO 70543557 572233124 /nfs/dbraw/zinc/23/31/24/572233124.db2.gz LOXOBMZYGGOGOD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCC[C@@H]1CN 37899222 572232993 /nfs/dbraw/zinc/23/29/93/572232993.db2.gz MFRCIFVVELHTFE-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CCCO 70543559 572233390 /nfs/dbraw/zinc/23/33/90/572233390.db2.gz LOXOBMZYGGOGOD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CCCO 70543559 572233394 /nfs/dbraw/zinc/23/33/94/572233394.db2.gz LOXOBMZYGGOGOD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCCO 70543559 572233397 /nfs/dbraw/zinc/23/33/97/572233397.db2.gz LOXOBMZYGGOGOD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CCCO 70543560 572233462 /nfs/dbraw/zinc/23/34/62/572233462.db2.gz LOXOBMZYGGOGOD-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CCCO 70543560 572233467 /nfs/dbraw/zinc/23/34/67/572233467.db2.gz LOXOBMZYGGOGOD-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])CN1CCCO 70543560 572233470 /nfs/dbraw/zinc/23/34/70/572233470.db2.gz LOXOBMZYGGOGOD-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@H+](CCO)[C@H]1CCC[C@@H]1CN 37899223 572233623 /nfs/dbraw/zinc/23/36/23/572233623.db2.gz MFRCIFVVELHTFE-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN(CCO)[C@H]1CCC[C@@H]1C[NH3+] 37899223 572233620 /nfs/dbraw/zinc/23/36/20/572233620.db2.gz MFRCIFVVELHTFE-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@@H+](CCO)[C@H]1CCC[C@@H]1CN 37899223 572233627 /nfs/dbraw/zinc/23/36/27/572233627.db2.gz MFRCIFVVELHTFE-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CCCO 70543558 572233813 /nfs/dbraw/zinc/23/38/13/572233813.db2.gz LOXOBMZYGGOGOD-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CCCO 70543558 572233816 /nfs/dbraw/zinc/23/38/16/572233816.db2.gz LOXOBMZYGGOGOD-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCCO 70543558 572233819 /nfs/dbraw/zinc/23/38/19/572233819.db2.gz LOXOBMZYGGOGOD-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO COCC1CCN(CCC[NH3+])CC1 70533852 572234447 /nfs/dbraw/zinc/23/44/47/572234447.db2.gz VSLCAEJKNAVZPU-UHFFFAOYSA-N 1 3 186.299 0.694 10 0 ACAEHO C1CC([NH2+]CC2CNC2)C1 20831734 572234611 /nfs/dbraw/zinc/23/46/11/572234611.db2.gz OUWKBKCNBDJIRD-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO C1CC(NCC2C[NH2+]C2)C1 20831734 572234612 /nfs/dbraw/zinc/23/46/12/572234612.db2.gz OUWKBKCNBDJIRD-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO CCN(CCC[NH3+])[C@H]1CCOC1 70531896 572235418 /nfs/dbraw/zinc/23/54/18/572235418.db2.gz SIVGEPQOUGNYGY-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@H]([NH3+])CCN(C)C1CC1 37080953 572235400 /nfs/dbraw/zinc/23/54/00/572235400.db2.gz IGNPKTNIQPYBHX-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO COC[C@H](C)N(C)[C@H](C)CC[NH3+] 42517543 572235568 /nfs/dbraw/zinc/23/55/68/572235568.db2.gz MCZPZDAEJAQPCO-BDAKNGLRSA-N 1 3 174.288 0.690 10 0 ACAEHO CCCN1CCN([C@@H](C)CC[NH3+])CC1 42319825 572235599 /nfs/dbraw/zinc/23/55/99/572235599.db2.gz ZGTSAWTUEFUDNM-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO COC[C@H](C)N(C)C[C@H](C)C[NH3+] 42517496 572235726 /nfs/dbraw/zinc/23/57/26/572235726.db2.gz LGMLKBKMOMLSAT-BDAKNGLRSA-N 1 3 174.288 0.548 10 0 ACAEHO CCN(CCC[NH3+])[C@@H]1CCOC1 70531895 572235767 /nfs/dbraw/zinc/23/57/67/572235767.db2.gz SIVGEPQOUGNYGY-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COCCCN(C)C[C@H](C)C(N)=[NH2+] 42459812 572235940 /nfs/dbraw/zinc/23/59/40/572235940.db2.gz ZDGFKPMSHIDYSZ-QMMMGPOBSA-N 1 3 187.287 0.527 10 0 ACAEHO C[C@H](C[NH3+])CN(C)C1CC1 37080555 572236079 /nfs/dbraw/zinc/23/60/79/572236079.db2.gz WOGXXPZKXWFQSG-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@H](CC(N)=[NH2+])N1CCC[C@H](O)C1 42468740 572236097 /nfs/dbraw/zinc/23/60/97/572236097.db2.gz RKOOWUYWXVDMHT-BDAKNGLRSA-N 1 3 199.298 0.548 10 0 ACAEHO CC[C@@H](CC(N)=[NH2+])N1CCC[C@H](O)C1 42468737 572236358 /nfs/dbraw/zinc/23/63/58/572236358.db2.gz RKOOWUYWXVDMHT-IUCAKERBSA-N 1 3 199.298 0.548 10 0 ACAEHO CCCN1CCN([C@H](C)CC[NH3+])CC1 42319829 572236318 /nfs/dbraw/zinc/23/63/18/572236318.db2.gz ZGTSAWTUEFUDNM-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CN(C)CCN1CC[C@@H]([NH2+]C2CC2)C1 70584724 572236724 /nfs/dbraw/zinc/23/67/24/572236724.db2.gz QZAGTUKTIRMZLX-LLVKDONJSA-N 1 3 197.326 0.374 10 0 ACAEHO [NH3+]CC[C@H](O)CN1CCC[C@H](F)C1 689409721 572236939 /nfs/dbraw/zinc/23/69/39/572236939.db2.gz VLMHOVYKYNKVOL-IUCAKERBSA-N 1 3 190.262 0.130 10 0 ACAEHO [NH3+]CC[C@H](O)CN1CCC[C@@H](F)C1 689409719 572236948 /nfs/dbraw/zinc/23/69/48/572236948.db2.gz VLMHOVYKYNKVOL-BDAKNGLRSA-N 1 3 190.262 0.130 10 0 ACAEHO CCC[NH2+][C@H]1CCN(CCN(C)C)C1 70584730 572237513 /nfs/dbraw/zinc/23/75/13/572237513.db2.gz YOIPTEWBSVCQRY-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+][C@H]1CCN(CCN(C)C2CC2)C1 70585733 572237242 /nfs/dbraw/zinc/23/72/42/572237242.db2.gz MLGOBDQHPRPICG-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@H]1CCC[N@@H+]1C[C@H](O)CN 37913573 572237342 /nfs/dbraw/zinc/23/73/42/572237342.db2.gz GZPXPILPMCLLNE-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@H]1CCC[N@H+]1C[C@H](O)CN 37913573 572237345 /nfs/dbraw/zinc/23/73/45/572237345.db2.gz GZPXPILPMCLLNE-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(C)CCN1CC[C@H]([NH2+]C2CC2)C1 70584723 572237449 /nfs/dbraw/zinc/23/74/49/572237449.db2.gz QZAGTUKTIRMZLX-NSHDSACASA-N 1 3 197.326 0.374 10 0 ACAEHO CC[NH2+][C@@H]1CCN(CCN(C)C)C1 70584733 572237453 /nfs/dbraw/zinc/23/74/53/572237453.db2.gz FOMZUOCMCHOWBJ-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO CC[NH2+][C@H]1CCN(CCN(C)CC)C1 70585348 572237498 /nfs/dbraw/zinc/23/74/98/572237498.db2.gz HWLKFFTXCHRQAN-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO [NH3+]CC[C@@H](O)CN1CCC[C@@H](F)C1 689409722 572237706 /nfs/dbraw/zinc/23/77/06/572237706.db2.gz VLMHOVYKYNKVOL-RKDXNWHRSA-N 1 3 190.262 0.130 10 0 ACAEHO CCN(C)CCN1CCC[C@H]([NH2+]C)C1 70585344 572237791 /nfs/dbraw/zinc/23/77/91/572237791.db2.gz NNTABEKHTYVUAJ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO COCC[NH2+]C[C@@H]1CCN(C2CC2)C1 37904720 572237842 /nfs/dbraw/zinc/23/78/42/572237842.db2.gz VJEFDZDJZFBPEW-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO COCCNC[C@@H]1CC[N@@H+](C2CC2)C1 37904720 572237846 /nfs/dbraw/zinc/23/78/46/572237846.db2.gz VJEFDZDJZFBPEW-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO COCCNC[C@@H]1CC[N@H+](C2CC2)C1 37904720 572237850 /nfs/dbraw/zinc/23/78/50/572237850.db2.gz VJEFDZDJZFBPEW-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH2+][C@@H]1CCN(CCN(C)C2CC2)C1 70585732 572237915 /nfs/dbraw/zinc/23/79/15/572237915.db2.gz MLGOBDQHPRPICG-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@@H]1CCC[N@@H+]1C[C@H](O)CN 37913572 572237985 /nfs/dbraw/zinc/23/79/85/572237985.db2.gz GZPXPILPMCLLNE-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H]1CCC[N@H+]1C[C@H](O)CN 37913572 572237986 /nfs/dbraw/zinc/23/79/86/572237986.db2.gz GZPXPILPMCLLNE-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)[NH2+][C@H]1CCN(CCN(C)C)C1 70584720 572238038 /nfs/dbraw/zinc/23/80/38/572238038.db2.gz BUXGCGQGHZHHGO-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO CC[NH2+][C@@H]1CCN(CCN(C)CC)C1 70585347 572238085 /nfs/dbraw/zinc/23/80/85/572238085.db2.gz HWLKFFTXCHRQAN-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[NH2+][C@H]1CCCN(CCN(C)C)C1 70584718 572238270 /nfs/dbraw/zinc/23/82/70/572238270.db2.gz WCGOJLSXTBBXCY-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO OCCNC[C@H]1CC[N@@H+](C2CC2)C1 37904762 572238380 /nfs/dbraw/zinc/23/83/80/572238380.db2.gz STDYHIFQIVQFLW-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO OCCNC[C@H]1CC[N@H+](C2CC2)C1 37904762 572238381 /nfs/dbraw/zinc/23/83/81/572238381.db2.gz STDYHIFQIVQFLW-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO CC[C@@H]1CCCN1C[C@H](O)C[NH2+]C 37913574 572238389 /nfs/dbraw/zinc/23/83/89/572238389.db2.gz QSOAUGDQGSPPJX-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[NH2+][C@H]1CCN(CCN(C)C)C1 70584734 572238686 /nfs/dbraw/zinc/23/86/86/572238686.db2.gz FOMZUOCMCHOWBJ-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CCC[NH2+][C@@H]1CCN(CCN(C)C)C1 70584729 572238838 /nfs/dbraw/zinc/23/88/38/572238838.db2.gz YOIPTEWBSVCQRY-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(CCN1CCC[C@H]([NH3+])C1)C1CC1 70585731 572238891 /nfs/dbraw/zinc/23/88/91/572238891.db2.gz CWXVPSPSWPYUCU-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 44531503 572243348 /nfs/dbraw/zinc/24/33/48/572243348.db2.gz BZEPGCMMFUDYSV-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1CCC[C@H](CN)C1 44531503 572243349 /nfs/dbraw/zinc/24/33/49/572243349.db2.gz BZEPGCMMFUDYSV-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H](O)C[N@H+]1CCC[C@H](CN)C1 44531503 572243350 /nfs/dbraw/zinc/24/33/50/572243350.db2.gz BZEPGCMMFUDYSV-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCOC[C@@H](C)N1CC[C@H](C[NH3+])C1 44725589 572243074 /nfs/dbraw/zinc/24/30/74/572243074.db2.gz SGCCVKPLHZYXEU-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCOC[C@H](C)N1CC[C@H](C[NH3+])C1 44725590 572243323 /nfs/dbraw/zinc/24/33/23/572243323.db2.gz SGCCVKPLHZYXEU-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C1CC[C@H]2CC[NH2+]C[C@H]2NC1 21376840 572244399 /nfs/dbraw/zinc/24/43/99/572244399.db2.gz ROCPEWXRYVMBAS-DTWKUNHWSA-N 1 3 154.257 0.738 10 0 ACAEHO CCCN1CC[C@H](C)[NH2+]C[C@H]1CO 249976664 572244359 /nfs/dbraw/zinc/24/43/59/572244359.db2.gz LONKUPQKYBCQSG-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H]([NH3+])CCCN1CCOC[C@H]1C 45599862 572244558 /nfs/dbraw/zinc/24/45/58/572244558.db2.gz CEZWVWDDJOJNLC-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C1CC[C@H]2CC[NH2+]C[C@@H]2NC1 21376832 572244583 /nfs/dbraw/zinc/24/45/83/572244583.db2.gz ROCPEWXRYVMBAS-IUCAKERBSA-N 1 3 154.257 0.738 10 0 ACAEHO C1C[NH2+][C@@H]2CCNCC[C@@H]2C1 21377528 572244606 /nfs/dbraw/zinc/24/46/06/572244606.db2.gz XMXCYARBRSXIIK-DTWKUNHWSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@@H]2CC[NH2+]CC[C@@H]2C1 21377528 572244608 /nfs/dbraw/zinc/24/46/08/572244608.db2.gz XMXCYARBRSXIIK-DTWKUNHWSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@@H]2CCC[NH2+]C[C@H]2C1 21377593 572244652 /nfs/dbraw/zinc/24/46/52/572244652.db2.gz NAFVRMPBZJBZRF-RKDXNWHRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1C[NH2+][C@@H]2CCCNC[C@H]2C1 21377593 572244653 /nfs/dbraw/zinc/24/46/53/572244653.db2.gz NAFVRMPBZJBZRF-RKDXNWHRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@@H]2CC[NH2+]C[C@@H]2NC1 21376827 572244668 /nfs/dbraw/zinc/24/46/68/572244668.db2.gz ROCPEWXRYVMBAS-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@@H]2CC[NH2+]C[C@H]2NC1 21376836 572244810 /nfs/dbraw/zinc/24/48/10/572244810.db2.gz ROCPEWXRYVMBAS-RKDXNWHRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1C[NH2+]C[C@H]2CCCN[C@H]2C1 21377599 572244825 /nfs/dbraw/zinc/24/48/25/572244825.db2.gz NAFVRMPBZJBZRF-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CNC[C@H]2CCC[NH2+][C@H]2C1 21377599 572244826 /nfs/dbraw/zinc/24/48/26/572244826.db2.gz NAFVRMPBZJBZRF-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@H]2CNCC[C@@H]2[NH2+]C1 21376940 572245407 /nfs/dbraw/zinc/24/54/07/572245407.db2.gz AIXSMROQBUTCBG-IUCAKERBSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@@H]2CNCC[C@@H]2[NH2+]C1 21376937 572245418 /nfs/dbraw/zinc/24/54/18/572245418.db2.gz AIXSMROQBUTCBG-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@H]2CCC[NH2+]C[C@@H]2C1 21377596 572245611 /nfs/dbraw/zinc/24/56/11/572245611.db2.gz NAFVRMPBZJBZRF-IUCAKERBSA-N 1 3 154.257 0.738 10 0 ACAEHO C1C[NH2+][C@H]2CCCNC[C@@H]2C1 21377596 572245614 /nfs/dbraw/zinc/24/56/14/572245614.db2.gz NAFVRMPBZJBZRF-IUCAKERBSA-N 1 3 154.257 0.738 10 0 ACAEHO CCCN1CC[C@@H](C)[NH2+]C[C@H]1CO 249976670 572245657 /nfs/dbraw/zinc/24/56/57/572245657.db2.gz LONKUPQKYBCQSG-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H](CC[NH3+])N(C)C1CC1 21399743 572245667 /nfs/dbraw/zinc/24/56/67/572245667.db2.gz OTQPFRKWMVJKHR-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H](CCN)[N@H+](C)C1CC1 21399743 572245669 /nfs/dbraw/zinc/24/56/69/572245669.db2.gz OTQPFRKWMVJKHR-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)C1CC1 21399743 572245670 /nfs/dbraw/zinc/24/56/70/572245670.db2.gz OTQPFRKWMVJKHR-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO C1C[NH2+][C@H]2CCNCC[C@@H]2C1 21377532 572245731 /nfs/dbraw/zinc/24/57/31/572245731.db2.gz XMXCYARBRSXIIK-IUCAKERBSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@H]2CC[NH2+]CC[C@@H]2C1 21377532 572245733 /nfs/dbraw/zinc/24/57/33/572245733.db2.gz XMXCYARBRSXIIK-IUCAKERBSA-N 1 3 154.257 0.738 10 0 ACAEHO C1C[NH2+][C@@H]2CCNCC[C@H]2C1 21377536 572245753 /nfs/dbraw/zinc/24/57/53/572245753.db2.gz XMXCYARBRSXIIK-RKDXNWHRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@@H]2CC[NH2+]CC[C@H]2C1 21377536 572245754 /nfs/dbraw/zinc/24/57/54/572245754.db2.gz XMXCYARBRSXIIK-RKDXNWHRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@@H]2CCC[NH2+]C[C@@H]2C1 21377589 572245775 /nfs/dbraw/zinc/24/57/75/572245775.db2.gz NAFVRMPBZJBZRF-DTWKUNHWSA-N 1 3 154.257 0.738 10 0 ACAEHO C1C[NH2+][C@@H]2CCCNC[C@@H]2C1 21377589 572245776 /nfs/dbraw/zinc/24/57/76/572245776.db2.gz NAFVRMPBZJBZRF-DTWKUNHWSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@H]2CNCC[C@H]2[NH2+]C1 21376947 572245811 /nfs/dbraw/zinc/24/58/11/572245811.db2.gz AIXSMROQBUTCBG-DTWKUNHWSA-N 1 3 154.257 0.738 10 0 ACAEHO C[C@@H]([NH2+]CCCN)C1CCOCC1 235214379 572245834 /nfs/dbraw/zinc/24/58/34/572245834.db2.gz CYTKYUKHJUTEII-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO CSC1(C[NH2+]C2CC(N)C2)CC1 235218532 572249749 /nfs/dbraw/zinc/24/97/49/572249749.db2.gz VLMZJHJPMZJVDQ-UHFFFAOYSA-N 1 3 186.324 0.961 10 0 ACAEHO C[C@@H]([NH3+])CCCN1CCO[C@H](C)C1 45598742 572246102 /nfs/dbraw/zinc/24/61/02/572246102.db2.gz AJRWZYDIAMGGGG-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C1C[NH2+][C@H]2CCNCC[C@H]2C1 21377540 572246196 /nfs/dbraw/zinc/24/61/96/572246196.db2.gz XMXCYARBRSXIIK-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CN[C@H]2CC[NH2+]CC[C@H]2C1 21377540 572246197 /nfs/dbraw/zinc/24/61/97/572246197.db2.gz XMXCYARBRSXIIK-BDAKNGLRSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC[C@@H]2CNCC[C@H]2[NH2+]C1 21376943 572246324 /nfs/dbraw/zinc/24/63/24/572246324.db2.gz AIXSMROQBUTCBG-RKDXNWHRSA-N 1 3 154.257 0.738 10 0 ACAEHO C[C@H]([NH3+])CCN(C)C[C@]12COC[C@H]1C2 689305341 572248492 /nfs/dbraw/zinc/24/84/92/572248492.db2.gz LGIXJXGKVOHPPW-HBNTYKKESA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]([NH3+])CCN(C)C[C@@]12COC[C@@H]1C2 689305336 572248514 /nfs/dbraw/zinc/24/85/14/572248514.db2.gz LGIXJXGKVOHPPW-DCAQKATOSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](CC[NH3+])CN1CCOCC1 49805073 572249420 /nfs/dbraw/zinc/24/94/20/572249420.db2.gz FTHSPURSIJKYNE-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO C[C@@H](CC[NH3+])CN1CCOCC1 49805072 572249451 /nfs/dbraw/zinc/24/94/51/572249451.db2.gz FTHSPURSIJKYNE-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO CSC1(CNC2CC([NH3+])C2)CC1 235218532 572249747 /nfs/dbraw/zinc/24/97/47/572249747.db2.gz VLMZJHJPMZJVDQ-UHFFFAOYSA-N 1 3 186.324 0.961 10 0 ACAEHO CCN1CCN(CC[C@H](C)C[NH3+])CC1 49812062 572251059 /nfs/dbraw/zinc/25/10/59/572251059.db2.gz GSNRNPJZYNBMQH-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@H](C[NH3+])CCN1CCN(C)CC1 49806029 572251104 /nfs/dbraw/zinc/25/11/04/572251104.db2.gz XZQLKLBINSVXQV-JTQLQIEISA-N 1 3 185.315 0.219 10 0 ACAEHO CCN1CCN(CC[C@@H](C)C[NH3+])CC1 49812061 572251109 /nfs/dbraw/zinc/25/11/09/572251109.db2.gz GSNRNPJZYNBMQH-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO CCN1CCN(C[C@@H](C)CC[NH3+])CC1 49812063 572251580 /nfs/dbraw/zinc/25/15/80/572251580.db2.gz CUWGHXYLUUEKKH-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO CCN1CCN(C[C@H](C)CC[NH3+])CC1 49812064 572251898 /nfs/dbraw/zinc/25/18/98/572251898.db2.gz CUWGHXYLUUEKKH-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@H](CC[NH3+])CN1CCN(C)CC1 49806032 572252033 /nfs/dbraw/zinc/25/20/33/572252033.db2.gz SALYUTIRRREOTH-SNVBAGLBSA-N 1 3 185.315 0.219 10 0 ACAEHO C[C@@H](CC[NH3+])CN1CCN(C)CC1 49806031 572252158 /nfs/dbraw/zinc/25/21/58/572252158.db2.gz SALYUTIRRREOTH-JTQLQIEISA-N 1 3 185.315 0.219 10 0 ACAEHO C[C@@H](C[NH3+])CCN1CCN(C)CC1 49806030 572252699 /nfs/dbraw/zinc/25/26/99/572252699.db2.gz XZQLKLBINSVXQV-SNVBAGLBSA-N 1 3 185.315 0.219 10 0 ACAEHO COC1CC(NC[C@@H](C)[NH3+])C1 234665078 572328331 /nfs/dbraw/zinc/32/83/31/572328331.db2.gz KMSZMYGUNQUXSO-JECWYVHBSA-N 1 3 158.245 0.101 10 0 ACAEHO CC[C@H]([NH2+]C)C1CNC1 59822600 572328527 /nfs/dbraw/zinc/32/85/27/572328527.db2.gz KKPATHLHEQSSHG-ZETCQYMHSA-N 1 3 128.219 0.204 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]CCCCO)C1 236313696 572326267 /nfs/dbraw/zinc/32/62/67/572326267.db2.gz WVRTXFIPLDMFKL-RKDXNWHRSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NCCCCO)C1 236313696 572326270 /nfs/dbraw/zinc/32/62/70/572326270.db2.gz WVRTXFIPLDMFKL-RKDXNWHRSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NC[C@@H](O)C(F)F)C1 236314641 572326292 /nfs/dbraw/zinc/32/62/92/572326292.db2.gz ISWUSFIXFBSMDV-DSYKOEDSSA-N 1 3 194.225 0.082 10 0 ACAEHO NC1(CC[NH2+]C[C@@H]2CCOC2)CCC1 86854049 572326619 /nfs/dbraw/zinc/32/66/19/572326619.db2.gz FGINRSQYGDIGTM-JTQLQIEISA-N 1 3 198.310 0.884 10 0 ACAEHO COCCNCCC1([NH3+])CCC1 86854046 572327823 /nfs/dbraw/zinc/32/78/23/572327823.db2.gz DHRAGKZVGFCBKK-UHFFFAOYSA-N 1 3 172.272 0.494 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NC[C@@H](O)C(F)F)C1 236313744 572327861 /nfs/dbraw/zinc/32/78/61/572327861.db2.gz ISWUSFIXFBSMDV-FSDSQADBSA-N 1 3 194.225 0.082 10 0 ACAEHO CN(C)CCCNC1=[NH+]CCC1 88225365 572327914 /nfs/dbraw/zinc/32/79/14/572327914.db2.gz IQNZFBFGDUZVGQ-UHFFFAOYSA-N 1 3 169.272 0.720 10 0 ACAEHO CC1(C)CCC[C@@]1(C[NH3+])NCCO 86865923 572328000 /nfs/dbraw/zinc/32/80/00/572328000.db2.gz AFZSRUDXHPHJDD-JTQLQIEISA-N 1 3 186.299 0.476 10 0 ACAEHO NC1(CC[NH2+]C[C@H]2CCOC2)CCC1 86854050 572328009 /nfs/dbraw/zinc/32/80/09/572328009.db2.gz FGINRSQYGDIGTM-SNVBAGLBSA-N 1 3 198.310 0.884 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]CCCCO)C1 236314583 572328544 /nfs/dbraw/zinc/32/85/44/572328544.db2.gz WVRTXFIPLDMFKL-BDAKNGLRSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NCCCCO)C1 236314583 572328545 /nfs/dbraw/zinc/32/85/45/572328545.db2.gz WVRTXFIPLDMFKL-BDAKNGLRSA-N 1 3 172.272 0.228 10 0 ACAEHO COC1CC(NCC[C@H](C)[NH3+])C1 234664232 572328765 /nfs/dbraw/zinc/32/87/65/572328765.db2.gz QAEMHUMQQNLZKO-UEJVZZJDSA-N 1 3 172.272 0.491 10 0 ACAEHO CN(C)CCN(C)CCC1([NH3+])CCC1 86854083 572328793 /nfs/dbraw/zinc/32/87/93/572328793.db2.gz VYUJSERHUKEYRI-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CC1(C)CCC[C@]1(C[NH3+])NCCO 86865924 572329018 /nfs/dbraw/zinc/32/90/18/572329018.db2.gz AFZSRUDXHPHJDD-SNVBAGLBSA-N 1 3 186.299 0.476 10 0 ACAEHO C[C@H]1CN(CCCCO)CC[C@@H]1[NH3+] 86887018 572329220 /nfs/dbraw/zinc/32/92/20/572329220.db2.gz MZJNPPDLNADLOP-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCCNC(=[NH2+])NC1CCN(C)CC1 52041629 572329922 /nfs/dbraw/zinc/32/99/22/572329922.db2.gz LZUIQUZIIORTRG-UHFFFAOYSA-N 1 3 198.314 0.605 10 0 ACAEHO C[C@H](CN1CCCCC1)NC(N)=[NH2+] 52036331 572330128 /nfs/dbraw/zinc/33/01/28/572330128.db2.gz PLRLUPNRJLLUJG-MRVPVSSYSA-N 1 3 184.287 0.344 10 0 ACAEHO C[NH+](C)CCC[C@H]1NCCC1=O 107163192 572331152 /nfs/dbraw/zinc/33/11/52/572331152.db2.gz GLEFHOWJEAICQK-MRVPVSSYSA-N 1 3 170.256 0.259 10 0 ACAEHO C[C@@H]1CN(CCCCO)CC[C@@H]1[NH3+] 86887016 572331548 /nfs/dbraw/zinc/33/15/48/572331548.db2.gz MZJNPPDLNADLOP-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO COC1CC(N[C@@H](C)C[NH3+])C1 234670154 572331570 /nfs/dbraw/zinc/33/15/70/572331570.db2.gz URCINCGZIOJVKD-KKMMWDRVSA-N 1 3 158.245 0.101 10 0 ACAEHO COC1CC(N[C@H](C)C[NH3+])C1 234671051 572331867 /nfs/dbraw/zinc/33/18/67/572331867.db2.gz URCINCGZIOJVKD-JECWYVHBSA-N 1 3 158.245 0.101 10 0 ACAEHO CC(C)NC(=[NH2+])NC1CCN(C)CC1 52041631 572332258 /nfs/dbraw/zinc/33/22/58/572332258.db2.gz IOFIXXZCSRTFRI-UHFFFAOYSA-N 1 3 198.314 0.603 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C 60019289 572332268 /nfs/dbraw/zinc/33/22/68/572332268.db2.gz NVWAYYHSJZGXSI-LURJTMIESA-N 1 3 116.208 0.191 10 0 ACAEHO COC1CC(NC[C@H](C)[NH3+])C1 234666756 572332344 /nfs/dbraw/zinc/33/23/44/572332344.db2.gz KMSZMYGUNQUXSO-KKMMWDRVSA-N 1 3 158.245 0.101 10 0 ACAEHO C[C@@H](CN1CCCCC1)NC(N)=[NH2+] 52036327 572332623 /nfs/dbraw/zinc/33/26/23/572332623.db2.gz PLRLUPNRJLLUJG-QMMMGPOBSA-N 1 3 184.287 0.344 10 0 ACAEHO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCCN 689718778 572332653 /nfs/dbraw/zinc/33/26/53/572332653.db2.gz NZTXHOQANGGISR-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](C[C@@H]1CCOC1)[NH2+]CCCN 689718783 572332884 /nfs/dbraw/zinc/33/28/84/572332884.db2.gz NZTXHOQANGGISR-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](C[C@H]1CCOC1)[NH2+]CCCN 689718777 572334084 /nfs/dbraw/zinc/33/40/84/572334084.db2.gz NZTXHOQANGGISR-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H](C[C@H]1CCOC1)[NH2+]CCCN 689718780 572334342 /nfs/dbraw/zinc/33/43/42/572334342.db2.gz NZTXHOQANGGISR-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NCCOCC2CC2)C1 236318791 572334833 /nfs/dbraw/zinc/33/48/33/572334833.db2.gz BNERDFUHGMAKLV-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO COC1CC([NH2+]C2CCNCC2)C1 234677429 572335328 /nfs/dbraw/zinc/33/53/28/572335328.db2.gz WCITWYDLGBAQGG-UHFFFAOYSA-N 1 3 184.283 0.505 10 0 ACAEHO COC1CC(NC2CC[NH2+]CC2)C1 234677429 572335332 /nfs/dbraw/zinc/33/53/32/572335332.db2.gz WCITWYDLGBAQGG-UHFFFAOYSA-N 1 3 184.283 0.505 10 0 ACAEHO CCC[C@@H](C[NH3+])Nc1nccn1C 83568600 572336976 /nfs/dbraw/zinc/33/69/76/572336976.db2.gz XNBHVTZJHJUVQK-QMMMGPOBSA-N 1 3 182.271 0.959 10 0 ACAEHO C[C@H](N)CC[NH2+]C1CCC1 52212381 572337377 /nfs/dbraw/zinc/33/73/77/572337377.db2.gz CMXGIOUEGHUUMA-ZETCQYMHSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H]([NH3+])CCNC1CCC1 52212381 572337381 /nfs/dbraw/zinc/33/73/81/572337381.db2.gz CMXGIOUEGHUUMA-ZETCQYMHSA-N 1 3 142.246 0.866 10 0 ACAEHO CCC[C@H](C[NH3+])Nc1nccn1C 83568601 572339172 /nfs/dbraw/zinc/33/91/72/572339172.db2.gz XNBHVTZJHJUVQK-MRVPVSSYSA-N 1 3 182.271 0.959 10 0 ACAEHO CC[C@H]([NH3+])CN[C@@H]1C[C@@H]1C 52294485 572339674 /nfs/dbraw/zinc/33/96/74/572339674.db2.gz JMAJWDFGMCXTMW-BIIVOSGPSA-N 1 3 142.246 0.722 10 0 ACAEHO C[NH2+]CCCN[C@H]1C[C@@H]1C 52294099 572339772 /nfs/dbraw/zinc/33/97/72/572339772.db2.gz UHWYEUGFINNDDT-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H]1C[C@H]1[NH2+]CCCN 52294306 572339910 /nfs/dbraw/zinc/33/99/10/572339910.db2.gz AKRVPBMVNNLOOG-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H]1C[C@H]1NCCC[NH3+] 52294306 572339912 /nfs/dbraw/zinc/33/99/12/572339912.db2.gz AKRVPBMVNNLOOG-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@@H]([NH3+])CN[C@@H]1C[C@@H]1C 52294488 572339992 /nfs/dbraw/zinc/33/99/92/572339992.db2.gz JMAJWDFGMCXTMW-XLPZGREQSA-N 1 3 142.246 0.722 10 0 ACAEHO CC[C@@H]([NH3+])CN[C@H]1C[C@@H]1C 52294493 572340334 /nfs/dbraw/zinc/34/03/34/572340334.db2.gz JMAJWDFGMCXTMW-RNJXMRFFSA-N 1 3 142.246 0.722 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@@]2(CCN(C)C2)O1 686235559 572340436 /nfs/dbraw/zinc/34/04/36/572340436.db2.gz SEVPYLPRCDRUOC-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+]CCCN[C@H]1C[C@H]1C 52294097 572340636 /nfs/dbraw/zinc/34/06/36/572340636.db2.gz UHWYEUGFINNDDT-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)[C@@H]([NH3+])CN[C@H]1C[C@H]1C 52294426 572340822 /nfs/dbraw/zinc/34/08/22/572340822.db2.gz SMJKSLWIWLCWAM-VGMNWLOBSA-N 1 3 156.273 0.968 10 0 ACAEHO CC[C@H](N)CC[NH2+]C 60228009 572340875 /nfs/dbraw/zinc/34/08/75/572340875.db2.gz CDYSMCBRQOYVAZ-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO CC[C@H]([NH3+])CCNC 60228009 572340879 /nfs/dbraw/zinc/34/08/79/572340879.db2.gz CDYSMCBRQOYVAZ-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO C[C@@H]1C[C@H]1[NH2+]CCCN 52294303 572340927 /nfs/dbraw/zinc/34/09/27/572340927.db2.gz AKRVPBMVNNLOOG-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H]1C[C@H]1NCCC[NH3+] 52294303 572340929 /nfs/dbraw/zinc/34/09/29/572340929.db2.gz AKRVPBMVNNLOOG-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO CC(C)[C@@H]([NH3+])CN[C@H]1C[C@@H]1C 52294429 572341244 /nfs/dbraw/zinc/34/12/44/572341244.db2.gz SMJKSLWIWLCWAM-CIUDSAMLSA-N 1 3 156.273 0.968 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@]2(CCN(C)C2)O1 686235569 572341286 /nfs/dbraw/zinc/34/12/86/572341286.db2.gz SEVPYLPRCDRUOC-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1C[C@@H]1[NH2+]CCCN 52294301 572341557 /nfs/dbraw/zinc/34/15/57/572341557.db2.gz AKRVPBMVNNLOOG-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H]1C[C@@H]1NCCC[NH3+] 52294301 572341561 /nfs/dbraw/zinc/34/15/61/572341561.db2.gz AKRVPBMVNNLOOG-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@@H](N)CC[NH2+]C 60228012 572341734 /nfs/dbraw/zinc/34/17/34/572341734.db2.gz CDYSMCBRQOYVAZ-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO CC[C@@H]([NH3+])CCNC 60228012 572341738 /nfs/dbraw/zinc/34/17/38/572341738.db2.gz CDYSMCBRQOYVAZ-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO C[NH2+]C[C@H]1CCC[C@]2(CCN(C)C2)O1 686235553 572341740 /nfs/dbraw/zinc/34/17/40/572341740.db2.gz SEVPYLPRCDRUOC-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO [NH3+]C/C=C\CN1CC=CC1 393488656 572341922 /nfs/dbraw/zinc/34/19/22/572341922.db2.gz RWTJOBIVEBXAFB-UPHRSURJSA-N 1 3 138.214 0.373 10 0 ACAEHO CC[C@H]([NH3+])CN[C@H]1C[C@@H]1C 52294490 572341978 /nfs/dbraw/zinc/34/19/78/572341978.db2.gz JMAJWDFGMCXTMW-FXQIFTODSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+]CCCN 52294299 572342032 /nfs/dbraw/zinc/34/20/32/572342032.db2.gz AKRVPBMVNNLOOG-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H]1C[C@@H]1NCCC[NH3+] 52294299 572342036 /nfs/dbraw/zinc/34/20/36/572342036.db2.gz AKRVPBMVNNLOOG-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO C[NH2+]C[C@H]1CCC[C@@]2(CCN(C)C2)O1 686235555 572342088 /nfs/dbraw/zinc/34/20/88/572342088.db2.gz SEVPYLPRCDRUOC-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)[C@@H]([NH3+])CN[C@@H]1C[C@@H]1C 52294433 572342197 /nfs/dbraw/zinc/34/21/97/572342197.db2.gz SMJKSLWIWLCWAM-XHNCKOQMSA-N 1 3 156.273 0.968 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCCOCC2CC2)C1 236324334 572342596 /nfs/dbraw/zinc/34/25/96/572342596.db2.gz BNERDFUHGMAKLV-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH2+]CCCN[C@@H]1C[C@H]1C 52294102 572342611 /nfs/dbraw/zinc/34/26/11/572342611.db2.gz UHWYEUGFINNDDT-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)[C@@H]([NH3+])CN[C@@H]1C[C@H]1C 52294430 572342641 /nfs/dbraw/zinc/34/26/41/572342641.db2.gz SMJKSLWIWLCWAM-HRDYMLBCSA-N 1 3 156.273 0.968 10 0 ACAEHO C[NH2+]CCCN[C@@H]1C[C@@H]1C 52294105 572342716 /nfs/dbraw/zinc/34/27/16/572342716.db2.gz UHWYEUGFINNDDT-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[C@H](C[NH3+])CN1CCN(CC)CC1 83606581 572343051 /nfs/dbraw/zinc/34/30/51/572343051.db2.gz GGOVRBUZUCMDKV-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO CC[C@@H](CN)C[NH2+]CC1CC1 83607429 572343060 /nfs/dbraw/zinc/34/30/60/572343060.db2.gz NVZQPOZPJVBSFD-QMMMGPOBSA-N 1 3 156.273 0.971 10 0 ACAEHO CC[C@H](CN)C[NH2+]CC1CC1 83607431 572343201 /nfs/dbraw/zinc/34/32/01/572343201.db2.gz NVZQPOZPJVBSFD-MRVPVSSYSA-N 1 3 156.273 0.971 10 0 ACAEHO CC[C@@H](C[NH3+])CN(CC)CCOC 83607907 572343507 /nfs/dbraw/zinc/34/35/07/572343507.db2.gz HHXSVPFRQRVXAP-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C[C@@H]1CCCO1 83607467 572343543 /nfs/dbraw/zinc/34/35/43/572343543.db2.gz DZNPQBJRDATREZ-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@H](C[NH3+])CNC[C@@H]1CCCO1 83607467 572343547 /nfs/dbraw/zinc/34/35/47/572343547.db2.gz DZNPQBJRDATREZ-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@H](C[NH3+])CN1CCN(C)CC1 83606314 572343838 /nfs/dbraw/zinc/34/38/38/572343838.db2.gz FHRMVWJIDIKVLH-SNVBAGLBSA-N 1 3 185.315 0.219 10 0 ACAEHO CC[NH2+]CC[C@H](C)N(C)C 52422883 572343992 /nfs/dbraw/zinc/34/39/92/572343992.db2.gz ZWNLWRXESXUYAJ-QMMMGPOBSA-N 1 3 144.262 0.936 10 0 ACAEHO CC[NH2+]C[C@@H](C)CN(C)C 52422638 572344569 /nfs/dbraw/zinc/34/45/69/572344569.db2.gz UMZQBUQTOCIGBU-MRVPVSSYSA-N 1 3 144.262 0.794 10 0 ACAEHO CC[C@H](CN)C[NH2+]C[C@@H]1CCCO1 83607469 572344655 /nfs/dbraw/zinc/34/46/55/572344655.db2.gz DZNPQBJRDATREZ-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@H](C[NH3+])CNC[C@@H]1CCCO1 83607469 572344657 /nfs/dbraw/zinc/34/46/57/572344657.db2.gz DZNPQBJRDATREZ-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@H](C[NH3+])CN1CCN(CC)CC1 83606579 572344719 /nfs/dbraw/zinc/34/47/19/572344719.db2.gz GGOVRBUZUCMDKV-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO COCCN(C)C[C@H](C[NH3+])C(C)C 83607696 572344827 /nfs/dbraw/zinc/34/48/27/572344827.db2.gz BJUKBSSCIHMNBS-JTQLQIEISA-N 1 3 188.315 0.796 10 0 ACAEHO CC[C@H](CN)C[NH2+]C[C@H]1CCCO1 83607472 572344860 /nfs/dbraw/zinc/34/48/60/572344860.db2.gz DZNPQBJRDATREZ-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@H](C[NH3+])CNC[C@H]1CCCO1 83607472 572344864 /nfs/dbraw/zinc/34/48/64/572344864.db2.gz DZNPQBJRDATREZ-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@H](C[NH3+])CN1CCN(C)CC1 83606313 572344874 /nfs/dbraw/zinc/34/48/74/572344874.db2.gz FHRMVWJIDIKVLH-JTQLQIEISA-N 1 3 185.315 0.219 10 0 ACAEHO CCC[C@@H](C[NH3+])CN1CCN(C)CC1 83606309 572344996 /nfs/dbraw/zinc/34/49/96/572344996.db2.gz PFQKXQKPSBVTNP-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO CCC[C@@H]([NH3+])C(C)(C)N 117002129 572345215 /nfs/dbraw/zinc/34/52/15/572345215.db2.gz UWQVYACRAIPQKP-ZCFIWIBFSA-N 1 3 130.235 0.851 10 0 ACAEHO CC[C@H](C[NH3+])CN(CC)CCOC 83607911 572345221 /nfs/dbraw/zinc/34/52/21/572345221.db2.gz HHXSVPFRQRVXAP-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CC[NH2+]C[C@H](C)CN(C)C 52422639 572345241 /nfs/dbraw/zinc/34/52/41/572345241.db2.gz UMZQBUQTOCIGBU-QMMMGPOBSA-N 1 3 144.262 0.794 10 0 ACAEHO N[C@H]1CC[C@@H]([NH2+]CCCCO)C1 236329498 572345247 /nfs/dbraw/zinc/34/52/47/572345247.db2.gz WVRTXFIPLDMFKL-DTWKUNHWSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NCCCCO)C1 236329498 572345250 /nfs/dbraw/zinc/34/52/50/572345250.db2.gz WVRTXFIPLDMFKL-DTWKUNHWSA-N 1 3 172.272 0.228 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)CCOC 83607694 572345318 /nfs/dbraw/zinc/34/53/18/572345318.db2.gz IORMROUUIYKTNO-SECBINFHSA-N 1 3 174.288 0.550 10 0 ACAEHO CCC[C@H](C[NH3+])CN1CCN(C)CC1 83606311 572345632 /nfs/dbraw/zinc/34/56/32/572345632.db2.gz PFQKXQKPSBVTNP-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO COCCN(C)C[C@@H](C[NH3+])C(C)C 83607699 572345746 /nfs/dbraw/zinc/34/57/46/572345746.db2.gz BJUKBSSCIHMNBS-SNVBAGLBSA-N 1 3 188.315 0.796 10 0 ACAEHO CCC[C@@H](C[NH3+])CN(C)CCOC 83607690 572346147 /nfs/dbraw/zinc/34/61/47/572346147.db2.gz VEMDJHOSHMVGJZ-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@@H](C[NH3+])CN1CCCN(C)CC1 83606640 572346168 /nfs/dbraw/zinc/34/61/68/572346168.db2.gz OFUPZCSGNDMVGC-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO CC[NH2+]CC[C@@H](C)N(C)C 52422882 572346235 /nfs/dbraw/zinc/34/62/35/572346235.db2.gz ZWNLWRXESXUYAJ-MRVPVSSYSA-N 1 3 144.262 0.936 10 0 ACAEHO CO[C@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 235006757 572346245 /nfs/dbraw/zinc/34/62/45/572346245.db2.gz DBXLEFKIHORJHJ-MNOVXSKESA-N 1 3 198.310 0.977 10 0 ACAEHO CCC[C@H]([NH3+])C(C)(C)N 117002130 572346281 /nfs/dbraw/zinc/34/62/81/572346281.db2.gz UWQVYACRAIPQKP-LURJTMIESA-N 1 3 130.235 0.851 10 0 ACAEHO CCC[C@H](C[NH3+])CN(C)CCOC 83607691 572346441 /nfs/dbraw/zinc/34/64/41/572346441.db2.gz VEMDJHOSHMVGJZ-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)CCOC 83607692 572346535 /nfs/dbraw/zinc/34/65/35/572346535.db2.gz IORMROUUIYKTNO-VIFPVBQESA-N 1 3 174.288 0.550 10 0 ACAEHO CC[C@H](C[NH3+])CN1CCCN(C)CC1 83606641 572346658 /nfs/dbraw/zinc/34/66/58/572346658.db2.gz OFUPZCSGNDMVGC-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO CC(C)[C@@H](CN)C[NH2+]C1CC1 83607377 572346680 /nfs/dbraw/zinc/34/66/80/572346680.db2.gz SUDYCTSRKQVRLF-QMMMGPOBSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(C)[C@@H](C[NH3+])CNC1CC1 83607377 572346683 /nfs/dbraw/zinc/34/66/83/572346683.db2.gz SUDYCTSRKQVRLF-QMMMGPOBSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(C)[C@H](C[NH3+])CN1CCN(C)CC1 83606319 572347049 /nfs/dbraw/zinc/34/70/49/572347049.db2.gz UOFWCZYBPPIRHG-LLVKDONJSA-N 1 3 199.342 0.465 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)[C@@H](C)COC 83607948 572346965 /nfs/dbraw/zinc/34/69/65/572346965.db2.gz IFHMROKXOPFYDL-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO CCC[N@@H+]1CC[C@H](CNCCO)C1 76453618 572347011 /nfs/dbraw/zinc/34/70/11/572347011.db2.gz JDTGWDOBSSDSQU-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO CCC[N@H+]1CC[C@H](CNCCO)C1 76453618 572347017 /nfs/dbraw/zinc/34/70/17/572347017.db2.gz JDTGWDOBSSDSQU-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO CCCN1CC[C@H](C[NH2+]CCO)C1 76453618 572347022 /nfs/dbraw/zinc/34/70/22/572347022.db2.gz JDTGWDOBSSDSQU-SNVBAGLBSA-N 1 3 186.299 0.300 10 0 ACAEHO CC(C)[C@@H](C[NH3+])CN1CCN(C)CC1 83606317 572347122 /nfs/dbraw/zinc/34/71/22/572347122.db2.gz UOFWCZYBPPIRHG-NSHDSACASA-N 1 3 199.342 0.465 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C[C@H]1CCCO1 83607470 572347167 /nfs/dbraw/zinc/34/71/67/572347167.db2.gz DZNPQBJRDATREZ-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@H](C[NH3+])CNC[C@H]1CCCO1 83607470 572347172 /nfs/dbraw/zinc/34/71/72/572347172.db2.gz DZNPQBJRDATREZ-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO CCC[C@H](C[NH3+])CNCCOC 83608919 572347716 /nfs/dbraw/zinc/34/77/16/572347716.db2.gz FHICMBHGOHJLOR-SECBINFHSA-N 1 3 174.288 0.597 10 0 ACAEHO CCC[C@H](CN)C[NH2+]CCOC 83608919 572347720 /nfs/dbraw/zinc/34/77/20/572347720.db2.gz FHICMBHGOHJLOR-SECBINFHSA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@H](CN)C[NH2+][C@@H]1C[C@@H]1C 83608884 572347951 /nfs/dbraw/zinc/34/79/51/572347951.db2.gz YHYJSVOAQPBDJK-DJLDLDEBSA-N 1 3 156.273 0.969 10 0 ACAEHO c1nc(CCNC2CC[NH2+]CC2)c[nH]1 83610207 572348836 /nfs/dbraw/zinc/34/88/36/572348836.db2.gz AHSDMGWVEHWOPU-UHFFFAOYSA-N 1 3 194.282 0.294 10 0 ACAEHO CC[C@@H](C[NH3+])CNCCOC 83608921 572348142 /nfs/dbraw/zinc/34/81/42/572348142.db2.gz GXMZXNPENXTSBH-QMMMGPOBSA-N 1 3 160.261 0.207 10 0 ACAEHO CC[C@@H](CN)C[NH2+]CCOC 83608921 572348146 /nfs/dbraw/zinc/34/81/46/572348146.db2.gz GXMZXNPENXTSBH-QMMMGPOBSA-N 1 3 160.261 0.207 10 0 ACAEHO COCCNC[C@H](C[NH3+])C(C)C 83608926 572348311 /nfs/dbraw/zinc/34/83/11/572348311.db2.gz KNJUQIWUUXQPII-VIFPVBQESA-N 1 3 174.288 0.453 10 0 ACAEHO COCC[NH2+]C[C@H](CN)C(C)C 83608926 572348315 /nfs/dbraw/zinc/34/83/15/572348315.db2.gz KNJUQIWUUXQPII-VIFPVBQESA-N 1 3 174.288 0.453 10 0 ACAEHO CC[C@H](C[NH3+])CN1CCCOCC1 83609047 572348371 /nfs/dbraw/zinc/34/83/71/572348371.db2.gz JOQSSKHMUVXFLD-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CCC[N@@H+]1CC[C@@H](CNCCO)C1 76453620 572348480 /nfs/dbraw/zinc/34/84/80/572348480.db2.gz JDTGWDOBSSDSQU-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO CCC[N@H+]1CC[C@@H](CNCCO)C1 76453620 572348483 /nfs/dbraw/zinc/34/84/83/572348483.db2.gz JDTGWDOBSSDSQU-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO CCCN1CC[C@@H](C[NH2+]CCO)C1 76453620 572348486 /nfs/dbraw/zinc/34/84/86/572348486.db2.gz JDTGWDOBSSDSQU-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO CCN(C)C[C@H](C)C[NH2+]C 52445875 572348675 /nfs/dbraw/zinc/34/86/75/572348675.db2.gz NMDPSIRHSZRFPZ-MRVPVSSYSA-N 1 3 144.262 0.794 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)CCN(C)C 83609325 572348820 /nfs/dbraw/zinc/34/88/20/572348820.db2.gz LDBIINCLNNZXIF-SNVBAGLBSA-N 1 3 187.331 0.465 10 0 ACAEHO c1nc(CC[NH2+]C2CCNCC2)c[nH]1 83610207 572348838 /nfs/dbraw/zinc/34/88/38/572348838.db2.gz AHSDMGWVEHWOPU-UHFFFAOYSA-N 1 3 194.282 0.294 10 0 ACAEHO CC[C@H](CN)C[N@H+](C)CCCOC 83609058 572348983 /nfs/dbraw/zinc/34/89/83/572348983.db2.gz KFGWMEDUEWSDTC-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@H](CN)C[N@@H+](C)CCCOC 83609058 572348985 /nfs/dbraw/zinc/34/89/85/572348985.db2.gz KFGWMEDUEWSDTC-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)CCCOC 83609058 572348987 /nfs/dbraw/zinc/34/89/87/572348987.db2.gz KFGWMEDUEWSDTC-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO c1nc(CC[NH2+][C@@H]2CCCNC2)c[nH]1 83610210 572349058 /nfs/dbraw/zinc/34/90/58/572349058.db2.gz HCHOAOKXJYVAAY-SECBINFHSA-N 1 3 194.282 0.294 10 0 ACAEHO c1nc(CC[NH2+][C@H]2CCCNC2)c[nH]1 83610212 572349063 /nfs/dbraw/zinc/34/90/63/572349063.db2.gz HCHOAOKXJYVAAY-VIFPVBQESA-N 1 3 194.282 0.294 10 0 ACAEHO CCN(C)[C@H](C)CC[NH2+]C 52446032 572349111 /nfs/dbraw/zinc/34/91/11/572349111.db2.gz JQYPSXHBFAGWGF-MRVPVSSYSA-N 1 3 144.262 0.936 10 0 ACAEHO CC[C@@H](C[NH3+])CN1CCN(C)[C@H](C)C1 83609240 572349122 /nfs/dbraw/zinc/34/91/22/572349122.db2.gz MBRREXWRLOJJAR-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@H](CN)C[NH2+]C[C@H]1CCOC1 83608983 572349130 /nfs/dbraw/zinc/34/91/30/572349130.db2.gz OIMNVPBOPQGLDT-NXEZZACHSA-N 1 3 186.299 0.597 10 0 ACAEHO COCC[NH2+]C[C@@H](CN)C(C)C 83608930 572350156 /nfs/dbraw/zinc/35/01/56/572350156.db2.gz KNJUQIWUUXQPII-SECBINFHSA-N 1 3 174.288 0.453 10 0 ACAEHO CC[C@@H](C[NH3+])CN1CCCOCC1 83609045 572349446 /nfs/dbraw/zinc/34/94/46/572349446.db2.gz JOQSSKHMUVXFLD-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO CC[C@H](C[NH3+])CNCCOC 83608923 572349545 /nfs/dbraw/zinc/34/95/45/572349545.db2.gz GXMZXNPENXTSBH-MRVPVSSYSA-N 1 3 160.261 0.207 10 0 ACAEHO CC[C@H](CN)C[NH2+]CCOC 83608923 572349549 /nfs/dbraw/zinc/34/95/49/572349549.db2.gz GXMZXNPENXTSBH-MRVPVSSYSA-N 1 3 160.261 0.207 10 0 ACAEHO CC[C@H](C[NH3+])CN1CCN(C)[C@H](C)C1 83609242 572349988 /nfs/dbraw/zinc/34/99/88/572349988.db2.gz MBRREXWRLOJJAR-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@H](CN)C[NH2+]C[C@@H]1CCOC1 83608978 572349996 /nfs/dbraw/zinc/34/99/96/572349996.db2.gz OIMNVPBOPQGLDT-ZJUUUORDSA-N 1 3 186.299 0.597 10 0 ACAEHO COCCNC[C@@H](C[NH3+])C(C)C 83608930 572350151 /nfs/dbraw/zinc/35/01/51/572350151.db2.gz KNJUQIWUUXQPII-SECBINFHSA-N 1 3 174.288 0.453 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C[C@@H]1CCOC1 83608976 572350196 /nfs/dbraw/zinc/35/01/96/572350196.db2.gz OIMNVPBOPQGLDT-UWVGGRQHSA-N 1 3 186.299 0.597 10 0 ACAEHO CCN(C)C[C@@H](C)C[NH2+]C 52445872 572350388 /nfs/dbraw/zinc/35/03/88/572350388.db2.gz NMDPSIRHSZRFPZ-QMMMGPOBSA-N 1 3 144.262 0.794 10 0 ACAEHO CC[C@@H](CN)C[N@H+](C)CCCOC 83609056 572350626 /nfs/dbraw/zinc/35/06/26/572350626.db2.gz KFGWMEDUEWSDTC-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@@H](CN)C[N@@H+](C)CCCOC 83609056 572350630 /nfs/dbraw/zinc/35/06/30/572350630.db2.gz KFGWMEDUEWSDTC-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)CCCOC 83609056 572350634 /nfs/dbraw/zinc/35/06/34/572350634.db2.gz KFGWMEDUEWSDTC-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CCC[C@@H](C[NH3+])CNCCOC 83608918 572350849 /nfs/dbraw/zinc/35/08/49/572350849.db2.gz FHICMBHGOHJLOR-VIFPVBQESA-N 1 3 174.288 0.597 10 0 ACAEHO CCC[C@@H](CN)C[NH2+]CCOC 83608918 572350853 /nfs/dbraw/zinc/35/08/53/572350853.db2.gz FHICMBHGOHJLOR-VIFPVBQESA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C[C@H]1CCOC1 83608982 572351203 /nfs/dbraw/zinc/35/12/03/572351203.db2.gz OIMNVPBOPQGLDT-VHSXEESVSA-N 1 3 186.299 0.597 10 0 ACAEHO CCN(C)[C@@H](C)CC[NH2+]C 52446030 572351380 /nfs/dbraw/zinc/35/13/80/572351380.db2.gz JQYPSXHBFAGWGF-QMMMGPOBSA-N 1 3 144.262 0.936 10 0 ACAEHO CC[C@H](CN)C[NH2+][C@H]1C[C@@H]1C 83608888 572351423 /nfs/dbraw/zinc/35/14/23/572351423.db2.gz YHYJSVOAQPBDJK-YIZRAAEISA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)CCN(C)C 83609323 572351430 /nfs/dbraw/zinc/35/14/30/572351430.db2.gz LDBIINCLNNZXIF-JTQLQIEISA-N 1 3 187.331 0.465 10 0 ACAEHO C[C@H]1CCC[N@H+](C)C[C@@H]1N 76575678 572352269 /nfs/dbraw/zinc/35/22/69/572352269.db2.gz MTPLKKVTKLTENA-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CCC[N@@H+](C)C[C@@H]1N 76575678 572352270 /nfs/dbraw/zinc/35/22/70/572352270.db2.gz MTPLKKVTKLTENA-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[N@@H+]1CCCC[C@](C)(N)C1 76575717 572352355 /nfs/dbraw/zinc/35/23/55/572352355.db2.gz PTDZCOYWOJJFSP-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO C[N@H+]1CCCC[C@](C)(N)C1 76575717 572352358 /nfs/dbraw/zinc/35/23/58/572352358.db2.gz PTDZCOYWOJJFSP-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO C[C@@]1(C[NH3+])CCCN([C@H]2CCOC2)C1 688704652 572352792 /nfs/dbraw/zinc/35/27/92/572352792.db2.gz PDUCGRRQGGGUOU-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(C[NH3+])CCCN([C@@H]2CCOC2)C1 688704642 572353263 /nfs/dbraw/zinc/35/32/63/572353263.db2.gz PDUCGRRQGGGUOU-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO CCN1C[C@@H](C[NH2+]C)N(C)CC[C@H]1C 250314813 572355294 /nfs/dbraw/zinc/35/52/94/572355294.db2.gz MIDVKALGRVWTMF-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1CCN(C[C@H](C)C[NH3+])[C@@H](C)C1 250314768 572353799 /nfs/dbraw/zinc/35/37/99/572353799.db2.gz MHXQDAKCTKCTOG-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+](CCCCO)C1 87041451 572353813 /nfs/dbraw/zinc/35/38/13/572353813.db2.gz YBCKWMCFENICIR-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+](CCCCO)C1 87041451 572353818 /nfs/dbraw/zinc/35/38/18/572353818.db2.gz YBCKWMCFENICIR-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC1(C)CCNCN1CCCC[NH3+] 238220083 572354003 /nfs/dbraw/zinc/35/40/03/572354003.db2.gz VISWGRIEEQZZIP-UHFFFAOYSA-N 1 3 185.315 0.757 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+](CCCCO)C1 87041453 572355657 /nfs/dbraw/zinc/35/56/57/572355657.db2.gz YBCKWMCFENICIR-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO N[C@H]1CC[C@H]([NH2+]CCCCO)C1 236330351 572354200 /nfs/dbraw/zinc/35/42/00/572354200.db2.gz WVRTXFIPLDMFKL-IUCAKERBSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCCCCO)C1 236330351 572354205 /nfs/dbraw/zinc/35/42/05/572354205.db2.gz WVRTXFIPLDMFKL-IUCAKERBSA-N 1 3 172.272 0.228 10 0 ACAEHO COCCC[N@@H+]1C[C@@H](C)C[C@@H](N)C1 87041680 572354227 /nfs/dbraw/zinc/35/42/27/572354227.db2.gz DNKWFBIKIFUIOR-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+]1C[C@@H](C)C[C@@H](N)C1 87041680 572354233 /nfs/dbraw/zinc/35/42/33/572354233.db2.gz DNKWFBIKIFUIOR-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@]1(C[NH3+])CCCN([C@@H]2CCOC2)C1 688704647 572354235 /nfs/dbraw/zinc/35/42/35/572354235.db2.gz PDUCGRRQGGGUOU-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO CC1(C)CCN(CCCC[NH3+])CN1 238219612 572354563 /nfs/dbraw/zinc/35/45/63/572354563.db2.gz KCCDZMVWMKZAJO-UHFFFAOYSA-N 1 3 185.315 0.757 10 0 ACAEHO COCCC[N@@H+]1C[C@@H](C)C[C@H](N)C1 87041677 572354642 /nfs/dbraw/zinc/35/46/42/572354642.db2.gz DNKWFBIKIFUIOR-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+]1C[C@@H](C)C[C@H](N)C1 87041677 572354645 /nfs/dbraw/zinc/35/46/45/572354645.db2.gz DNKWFBIKIFUIOR-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCN1CCN(C[C@H](C)C[NH3+])[C@H](C)C1 250314766 572354985 /nfs/dbraw/zinc/35/49/85/572354985.db2.gz MHXQDAKCTKCTOG-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO COCCC[N@@H+]1C[C@H](C)C[C@@H](N)C1 87041679 572355086 /nfs/dbraw/zinc/35/50/86/572355086.db2.gz DNKWFBIKIFUIOR-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+]1C[C@H](C)C[C@@H](N)C1 87041679 572355091 /nfs/dbraw/zinc/35/50/91/572355091.db2.gz DNKWFBIKIFUIOR-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N2CC[C@@H](OC)C2)C1 234425286 572355260 /nfs/dbraw/zinc/35/52/60/572355260.db2.gz UIHQANVCPKZBLD-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO CC(C)(C[NH3+])CCN1CCOCC1 83636766 572355308 /nfs/dbraw/zinc/35/53/08/572355308.db2.gz BGDPHRUQAOYUHY-UHFFFAOYSA-N 1 3 186.299 0.694 10 0 ACAEHO CC1(C)CCN(CC[NH2+]CCN)C1 238219673 572355353 /nfs/dbraw/zinc/35/53/53/572355353.db2.gz GJZGQWFUFUMOBD-UHFFFAOYSA-N 1 3 185.315 0.267 10 0 ACAEHO C[C@]1(C[NH3+])CCCN([C@H]2CCOC2)C1 688704654 572355401 /nfs/dbraw/zinc/35/54/01/572355401.db2.gz PDUCGRRQGGGUOU-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+](CCCCO)C1 87041449 572355444 /nfs/dbraw/zinc/35/54/44/572355444.db2.gz YBCKWMCFENICIR-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+](CCCCO)C1 87041449 572355447 /nfs/dbraw/zinc/35/54/47/572355447.db2.gz YBCKWMCFENICIR-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+]1CCCC[C@@](C)(N)C1 76575720 572355615 /nfs/dbraw/zinc/35/56/15/572355615.db2.gz PTDZCOYWOJJFSP-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO C[N@H+]1CCCC[C@@](C)(N)C1 76575720 572355618 /nfs/dbraw/zinc/35/56/18/572355618.db2.gz PTDZCOYWOJJFSP-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+](CCCCO)C1 87041453 572355660 /nfs/dbraw/zinc/35/56/60/572355660.db2.gz YBCKWMCFENICIR-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO COCCC[N@H+]1C[C@@H](N)C[C@@H](C)C1 87041675 572355688 /nfs/dbraw/zinc/35/56/88/572355688.db2.gz DNKWFBIKIFUIOR-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87041675 572355692 /nfs/dbraw/zinc/35/56/92/572355692.db2.gz DNKWFBIKIFUIOR-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CCN1C[C@H](C[NH2+]C)N(C)CC[C@H]1C 250314816 572355916 /nfs/dbraw/zinc/35/59/16/572355916.db2.gz MIDVKALGRVWTMF-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1CCN(C[C@@H](C)C[NH3+])[C@@H](C)C1 250314770 572356599 /nfs/dbraw/zinc/35/65/99/572356599.db2.gz MHXQDAKCTKCTOG-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO CN1CCC[C@@H]2[NH2+]CC[C@@H]2C1 76590291 572357584 /nfs/dbraw/zinc/35/75/84/572357584.db2.gz OSSIGSCHTXWBDP-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CN(C)[C@H](C[NH3+])CN1CCCCC1 76580873 572357639 /nfs/dbraw/zinc/35/76/39/572357639.db2.gz HFANHBPMBWVWAA-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CN1CC[C@@]2(C1)[C@@H]([NH3+])C2(C)C 76590453 572357731 /nfs/dbraw/zinc/35/77/31/572357731.db2.gz RWQMVZALYXNPAG-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO CN1CCN(CCC(C)(C)C[NH3+])CC1 83636775 572357739 /nfs/dbraw/zinc/35/77/39/572357739.db2.gz OURJTMPKFAPVLA-UHFFFAOYSA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@@]1([NH3+])CCN2CCC1CC2 76590258 572358006 /nfs/dbraw/zinc/35/80/06/572358006.db2.gz BQGNMDUQKAVVAT-SECBINFHSA-N 1 3 154.257 0.820 10 0 ACAEHO C[N@@H+]1CCC2(CC2)[C@H](CN)C1 76590440 572358023 /nfs/dbraw/zinc/35/80/23/572358023.db2.gz KPMGWBGLMGRKMU-MRVPVSSYSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@H+]1CCC2(CC2)[C@H](CN)C1 76590440 572358026 /nfs/dbraw/zinc/35/80/26/572358026.db2.gz KPMGWBGLMGRKMU-MRVPVSSYSA-N 1 3 154.257 0.677 10 0 ACAEHO [NH3+][C@@H]1CCCN(C2CC2)CC1 76590388 572358189 /nfs/dbraw/zinc/35/81/89/572358189.db2.gz NFLXYBOCRJCAMM-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[NH2+][C@@H]1CCN2CCC1CC2 76590374 572358193 /nfs/dbraw/zinc/35/81/93/572358193.db2.gz RWULXWQEBMDTJP-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@@]2(C1)[C@H]([NH3+])C2(C)C 76590456 572358216 /nfs/dbraw/zinc/35/82/16/572358216.db2.gz RWQMVZALYXNPAG-VXNVDRBHSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1[C@@H]2CC[NH2+][C@@H]2CCN1C 76590304 572358344 /nfs/dbraw/zinc/35/83/44/572358344.db2.gz XHKDPXXVVCZNCE-HRDYMLBCSA-N 1 3 154.257 0.689 10 0 ACAEHO CN(C)[C@@H](C[NH3+])CN1CCCCC1 76580872 572358411 /nfs/dbraw/zinc/35/84/11/572358411.db2.gz HFANHBPMBWVWAA-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[NH2+][C@H]1CCN2CCC1CC2 76590378 572358442 /nfs/dbraw/zinc/35/84/42/572358442.db2.gz RWULXWQEBMDTJP-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@]1([NH3+])CCN2CCC1CC2 76590254 572358604 /nfs/dbraw/zinc/35/86/04/572358604.db2.gz BQGNMDUQKAVVAT-VIFPVBQESA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H]1C[C@H]2[NH2+]CC[C@H]2CN1C 76590295 572358628 /nfs/dbraw/zinc/35/86/28/572358628.db2.gz ZCUKEDXOPBANDU-HRDYMLBCSA-N 1 3 154.257 0.689 10 0 ACAEHO CN(C)C[C@H](C[NH3+])N1CCCCC1 76580877 572358731 /nfs/dbraw/zinc/35/87/31/572358731.db2.gz YOGLJVYNEQAAOO-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CN(C)C[C@H](CN)[NH+]1CCCCC1 76580877 572358732 /nfs/dbraw/zinc/35/87/32/572358732.db2.gz YOGLJVYNEQAAOO-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO [NH3+][C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCO 238658468 572359071 /nfs/dbraw/zinc/35/90/71/572359071.db2.gz BYCURDPEKWZSOJ-JGPRNRPPSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCCO 238658468 572359074 /nfs/dbraw/zinc/35/90/74/572359074.db2.gz BYCURDPEKWZSOJ-JGPRNRPPSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2CCCCO 238658468 572359081 /nfs/dbraw/zinc/35/90/81/572359081.db2.gz BYCURDPEKWZSOJ-JGPRNRPPSA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@@H+]1CCC2(CC2)[C@@H](CN)C1 76590444 572359239 /nfs/dbraw/zinc/35/92/39/572359239.db2.gz KPMGWBGLMGRKMU-QMMMGPOBSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@H+]1CCC2(CC2)[C@@H](CN)C1 76590444 572359240 /nfs/dbraw/zinc/35/92/40/572359240.db2.gz KPMGWBGLMGRKMU-QMMMGPOBSA-N 1 3 154.257 0.677 10 0 ACAEHO C[C@@H]1C[C@@H]2[NH2+]CC[C@H]2CN1C 76590300 572359475 /nfs/dbraw/zinc/35/94/75/572359475.db2.gz ZCUKEDXOPBANDU-VGMNWLOBSA-N 1 3 154.257 0.689 10 0 ACAEHO CN1CCC[C@H]2[NH2+]CC[C@@H]2C1 76590289 572359569 /nfs/dbraw/zinc/35/95/69/572359569.db2.gz OSSIGSCHTXWBDP-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO [NH3+][C@H]1CCCN(C2CC2)CC1 76590385 572359835 /nfs/dbraw/zinc/35/98/35/572359835.db2.gz NFLXYBOCRJCAMM-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1[C@H]2CC[NH2+][C@@H]2CCN1C 76590310 572360095 /nfs/dbraw/zinc/36/00/95/572360095.db2.gz XHKDPXXVVCZNCE-IWSPIJDZSA-N 1 3 154.257 0.689 10 0 ACAEHO CN1CC[C@]2(C1)[C@H]([NH3+])C2(C)C 76590450 572360176 /nfs/dbraw/zinc/36/01/76/572360176.db2.gz RWQMVZALYXNPAG-APPZFPTMSA-N 1 3 154.257 0.675 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])N1CCCCC1 76580875 572360293 /nfs/dbraw/zinc/36/02/93/572360293.db2.gz YOGLJVYNEQAAOO-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CN(C)C[C@@H](CN)[NH+]1CCCCC1 76580875 572360296 /nfs/dbraw/zinc/36/02/96/572360296.db2.gz YOGLJVYNEQAAOO-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CN1CC[C@]2(C1)[C@@H]([NH3+])C2(C)C 76590447 572360380 /nfs/dbraw/zinc/36/03/80/572360380.db2.gz RWQMVZALYXNPAG-CBAPKCEASA-N 1 3 154.257 0.675 10 0 ACAEHO C[NH2+][C@H](C)CN1CCCN(C)C[C@@H]1C 234424319 572361502 /nfs/dbraw/zinc/36/15/02/572361502.db2.gz XDZCTHPJVHIICL-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCCCN1CCC[C@@](O)(C[NH3+])C1 238220673 572363313 /nfs/dbraw/zinc/36/33/13/572363313.db2.gz CNDZDHWRQABSDT-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO CN(CCO)CCC(C)(C)C(N)=[NH2+] 83639540 572363484 /nfs/dbraw/zinc/36/34/84/572363484.db2.gz KEMULNKAVXAQSO-UHFFFAOYSA-N 1 3 187.287 0.263 10 0 ACAEHO C[C@@H](O)CN(CC[NH3+])C1CCCC1 83676740 572364147 /nfs/dbraw/zinc/36/41/47/572364147.db2.gz VFYIPWPTHYJGLW-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCCN1CCC[C@](O)(C[NH3+])C1 238220836 572364611 /nfs/dbraw/zinc/36/46/11/572364611.db2.gz CNDZDHWRQABSDT-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@H](O)CN(C)C1(C[NH3+])CCCC1 83676633 572364810 /nfs/dbraw/zinc/36/48/10/572364810.db2.gz UCIRAVZJXLNXJE-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CCC(CC)(C[NH3+])N(C)C[C@@H](C)O 83676687 572364928 /nfs/dbraw/zinc/36/49/28/572364928.db2.gz SRDDJVGCEHLIGW-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CCCN(C[C@H](C)O)C(C)(C)C[NH3+] 83676664 572364952 /nfs/dbraw/zinc/36/49/52/572364952.db2.gz LSPTVKDKXASMGD-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CC[N@H+](C[C@@H](C)O)C[C@H](C)CN 83676550 572367869 /nfs/dbraw/zinc/36/78/69/572367869.db2.gz XALAZNBTKXUWKP-RKDXNWHRSA-N 1 3 174.288 0.284 10 0 ACAEHO CCC[N@H+](CCCN)C[C@H](C)O 83676366 572365255 /nfs/dbraw/zinc/36/52/55/572365255.db2.gz LHCJADWOFFPNHM-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CCC[N@@H+](CCCN)C[C@H](C)O 83676366 572365260 /nfs/dbraw/zinc/36/52/60/572365260.db2.gz LHCJADWOFFPNHM-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(CCC[NH3+])C[C@H](C)O 83676366 572365265 /nfs/dbraw/zinc/36/52/65/572365265.db2.gz LHCJADWOFFPNHM-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(C[C@@H](C)O)C(C)(C)C[NH3+] 83676662 572365557 /nfs/dbraw/zinc/36/55/57/572365557.db2.gz LSPTVKDKXASMGD-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CCN(CCC[NH3+])C[C@H](C)O 83676355 572365783 /nfs/dbraw/zinc/36/57/83/572365783.db2.gz YOVIJYUINMCXHC-QMMMGPOBSA-N 1 3 160.261 0.038 10 0 ACAEHO CCN(C[C@H](C)O)C(C)(C)C[NH3+] 83676660 572365847 /nfs/dbraw/zinc/36/58/47/572365847.db2.gz FZWIBWNUBBQVHD-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)C[N@H+](CCCN)C[C@@H](C)O 83676559 572365886 /nfs/dbraw/zinc/36/58/86/572365886.db2.gz JYHQQUDWQRBDFF-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)C[N@@H+](CCCN)C[C@@H](C)O 83676559 572365889 /nfs/dbraw/zinc/36/58/89/572365889.db2.gz JYHQQUDWQRBDFF-SNVBAGLBSA-N 1 3 188.315 0.674 10 0 ACAEHO CCN(C[C@@H](C)O)C(C)(C)C[NH3+] 83676659 572366216 /nfs/dbraw/zinc/36/62/16/572366216.db2.gz FZWIBWNUBBQVHD-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](O)CN(CC[NH3+])C1CCCC1 83676738 572366374 /nfs/dbraw/zinc/36/63/74/572366374.db2.gz VFYIPWPTHYJGLW-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CCC[NH3+])C[C@@H](C)O 83676353 572366768 /nfs/dbraw/zinc/36/67/68/572366768.db2.gz YOVIJYUINMCXHC-MRVPVSSYSA-N 1 3 160.261 0.038 10 0 ACAEHO CCN(C[C@@H](C)O)[C@](C)(CC)C[NH3+] 83676681 572366900 /nfs/dbraw/zinc/36/69/00/572366900.db2.gz YKDXFPJRNHBHJE-NXEZZACHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H](O)CN(C)C1(C[NH3+])CCCC1 83676634 572366947 /nfs/dbraw/zinc/36/69/47/572366947.db2.gz UCIRAVZJXLNXJE-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)C[N@H+](CCCN)C[C@H](C)O 83676561 572367447 /nfs/dbraw/zinc/36/74/47/572367447.db2.gz JYHQQUDWQRBDFF-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)C[N@@H+](CCCN)C[C@H](C)O 83676561 572367454 /nfs/dbraw/zinc/36/74/54/572367454.db2.gz JYHQQUDWQRBDFF-JTQLQIEISA-N 1 3 188.315 0.674 10 0 ACAEHO CCN(C[C@@H](C)O)[C@@](C)(CC)C[NH3+] 83676678 572367621 /nfs/dbraw/zinc/36/76/21/572367621.db2.gz YKDXFPJRNHBHJE-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[N@@H+](C[C@@H](C)O)C[C@H](C)CN 83676550 572367873 /nfs/dbraw/zinc/36/78/73/572367873.db2.gz XALAZNBTKXUWKP-RKDXNWHRSA-N 1 3 174.288 0.284 10 0 ACAEHO CCN(C[C@@H](C)O)C[C@H](C)C[NH3+] 83676550 572367874 /nfs/dbraw/zinc/36/78/74/572367874.db2.gz XALAZNBTKXUWKP-RKDXNWHRSA-N 1 3 174.288 0.284 10 0 ACAEHO CC[N@@H+](C[C@@H](C)CN)C[C@@H](C)O 83676548 572368036 /nfs/dbraw/zinc/36/80/36/572368036.db2.gz XALAZNBTKXUWKP-DTWKUNHWSA-N 1 3 174.288 0.284 10 0 ACAEHO CC[N@H+](C[C@@H](C)CN)C[C@@H](C)O 83676548 572368039 /nfs/dbraw/zinc/36/80/39/572368039.db2.gz XALAZNBTKXUWKP-DTWKUNHWSA-N 1 3 174.288 0.284 10 0 ACAEHO CCN(C[C@@H](C)C[NH3+])C[C@@H](C)O 83676548 572368043 /nfs/dbraw/zinc/36/80/43/572368043.db2.gz XALAZNBTKXUWKP-DTWKUNHWSA-N 1 3 174.288 0.284 10 0 ACAEHO CCC[N@H+](CCCN)C[C@@H](C)O 83676364 572368080 /nfs/dbraw/zinc/36/80/80/572368080.db2.gz LHCJADWOFFPNHM-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CCC[N@@H+](CCCN)C[C@@H](C)O 83676364 572368086 /nfs/dbraw/zinc/36/80/86/572368086.db2.gz LHCJADWOFFPNHM-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CCCN(CCC[NH3+])C[C@@H](C)O 83676364 572368087 /nfs/dbraw/zinc/36/80/87/572368087.db2.gz LHCJADWOFFPNHM-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO C[C@H](O)[C@@H](C)NCCC[NH+](C)C 87127025 572371771 /nfs/dbraw/zinc/37/17/71/572371771.db2.gz MOPFYIWSIQWSDE-BDAKNGLRSA-N 1 3 174.288 0.297 10 0 ACAEHO C1C[C@@H]2CN3CCC(CC3)[C@H]2[NH2+]1 76595665 572369099 /nfs/dbraw/zinc/36/90/99/572369099.db2.gz VYYQTFYOXAPLDR-NXEZZACHSA-N 1 3 166.268 0.690 10 0 ACAEHO C[C@@H](O)[C@@H](C)NCCC[NH+](C)C 87127019 572369291 /nfs/dbraw/zinc/36/92/91/572369291.db2.gz MOPFYIWSIQWSDE-RKDXNWHRSA-N 1 3 174.288 0.297 10 0 ACAEHO C1C[C@H]2CN3CCC(CC3)[C@@H]2[NH2+]1 76595656 572369304 /nfs/dbraw/zinc/36/93/04/572369304.db2.gz VYYQTFYOXAPLDR-UWVGGRQHSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]2CN3CCC(CC3)[C@H]2[NH2+]1 76595659 572369554 /nfs/dbraw/zinc/36/95/54/572369554.db2.gz VYYQTFYOXAPLDR-VHSXEESVSA-N 1 3 166.268 0.690 10 0 ACAEHO CCO[C@@H](C[NH3+])CCNCCF 307995178 572369890 /nfs/dbraw/zinc/36/98/90/572369890.db2.gz BCWDWPVHJXPOMP-MRVPVSSYSA-N 1 3 178.251 0.299 10 0 ACAEHO C[C@H](O)[C@H](C)NCCC[NH+](C)C 87127023 572369973 /nfs/dbraw/zinc/36/99/73/572369973.db2.gz MOPFYIWSIQWSDE-IUCAKERBSA-N 1 3 174.288 0.297 10 0 ACAEHO [NH3+]C/C=C/CNCc1ccoc1 307995168 572370492 /nfs/dbraw/zinc/37/04/92/572370492.db2.gz BBCJHPCGTGCYSW-OWOJBTEDSA-N 1 3 166.224 0.884 10 0 ACAEHO C1C[C@@H]2CN3CCC(CC3)[C@@H]2[NH2+]1 76595663 572370511 /nfs/dbraw/zinc/37/05/11/572370511.db2.gz VYYQTFYOXAPLDR-ZJUUUORDSA-N 1 3 166.268 0.690 10 0 ACAEHO CCO[C@H](C[NH3+])CCN1CCC1 307994443 572370636 /nfs/dbraw/zinc/37/06/36/572370636.db2.gz AYAUDTLIWPFIDH-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO [NH3+]C/C=C\CNCc1ccoc1 307995169 572370802 /nfs/dbraw/zinc/37/08/02/572370802.db2.gz BBCJHPCGTGCYSW-UPHRSURJSA-N 1 3 166.224 0.884 10 0 ACAEHO CCO[C@@H](C[NH3+])CCN1CCC1 307994442 572371680 /nfs/dbraw/zinc/37/16/80/572371680.db2.gz AYAUDTLIWPFIDH-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CCO[C@H](C[NH3+])CCNCCF 307995179 572371691 /nfs/dbraw/zinc/37/16/91/572371691.db2.gz BCWDWPVHJXPOMP-QMMMGPOBSA-N 1 3 178.251 0.299 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H]2CCN(C)C[C@@H]21 76597081 572371807 /nfs/dbraw/zinc/37/18/07/572371807.db2.gz UASZRJYZYLPEOW-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@H]2CC[N@H+](C)C[C@@H]21 76597081 572371811 /nfs/dbraw/zinc/37/18/11/572371811.db2.gz UASZRJYZYLPEOW-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@H]2CC[N@@H+](C)C[C@@H]21 76597081 572371813 /nfs/dbraw/zinc/37/18/13/572371813.db2.gz UASZRJYZYLPEOW-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN(C)[C@H]2CC[NH2+]C[C@@H]21 76597076 572371897 /nfs/dbraw/zinc/37/18/97/572371897.db2.gz YTYBKRFELHNKNB-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@H]2CCNC[C@@H]21 76597076 572371898 /nfs/dbraw/zinc/37/18/98/572371898.db2.gz YTYBKRFELHNKNB-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@H]2CCNC[C@@H]21 76597076 572371899 /nfs/dbraw/zinc/37/18/99/572371899.db2.gz YTYBKRFELHNKNB-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN1C[C@@H](C)N(C)C[C@H]1CC[NH3+] 250318211 572372790 /nfs/dbraw/zinc/37/27/90/572372790.db2.gz MTFJTDSOCUUVQY-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CCCO)NCC(C)(C)[NH3+] 308002675 572373688 /nfs/dbraw/zinc/37/36/88/572373688.db2.gz BQCZAHQDXYWDHL-QMMMGPOBSA-N 1 3 174.288 0.474 10 0 ACAEHO CN(C)CCOCC[NH2+]C1CC1 52669501 572374650 /nfs/dbraw/zinc/37/46/50/572374650.db2.gz VJESLVCKVHCMCK-UHFFFAOYSA-N 1 3 172.272 0.317 10 0 ACAEHO C[C@H](CCCO)NCC(C)(C)[NH3+] 308002671 572375046 /nfs/dbraw/zinc/37/50/46/572375046.db2.gz BQCZAHQDXYWDHL-MRVPVSSYSA-N 1 3 174.288 0.474 10 0 ACAEHO C[C@@H]1CC[NH2+][C@@H]2CCN(C)C[C@H]12 76597085 572375210 /nfs/dbraw/zinc/37/52/10/572375210.db2.gz UASZRJYZYLPEOW-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@@H]2CC[N@H+](C)C[C@H]12 76597085 572375215 /nfs/dbraw/zinc/37/52/15/572375215.db2.gz UASZRJYZYLPEOW-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@@H]2CC[N@@H+](C)C[C@H]12 76597085 572375218 /nfs/dbraw/zinc/37/52/18/572375218.db2.gz UASZRJYZYLPEOW-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN1C[C@H](C)N(C)C[C@H]1CC[NH3+] 250318213 572375497 /nfs/dbraw/zinc/37/54/97/572375497.db2.gz MTFJTDSOCUUVQY-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO NCCC[N@@H+]1CCC[C@@H]1CCO 307995560 572375985 /nfs/dbraw/zinc/37/59/85/572375985.db2.gz BTTPGTRUBLZQEY-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO NCCC[N@H+]1CCC[C@@H]1CCO 307995560 572375988 /nfs/dbraw/zinc/37/59/88/572375988.db2.gz BTTPGTRUBLZQEY-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@@H]1OCCN(C)C 87154332 572376080 /nfs/dbraw/zinc/37/60/80/572376080.db2.gz XOXLVCVVJWWTES-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO NCCC[N@@H+]1CCC[C@H]1CCO 307995561 572376109 /nfs/dbraw/zinc/37/61/09/572376109.db2.gz BTTPGTRUBLZQEY-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO NCCC[N@H+]1CCC[C@H]1CCO 307995561 572376114 /nfs/dbraw/zinc/37/61/14/572376114.db2.gz BTTPGTRUBLZQEY-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@H]1OCCN(C)C 87154330 572376456 /nfs/dbraw/zinc/37/64/56/572376456.db2.gz XOXLVCVVJWWTES-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO Cc1nc(CN)c(C[NH3+])nc1C 44250140 572378449 /nfs/dbraw/zinc/37/84/49/572378449.db2.gz HWTHHFWKLARZEX-UHFFFAOYSA-N 1 3 166.228 0.011 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@@H]1OCCN(C)C 87154334 572379056 /nfs/dbraw/zinc/37/90/56/572379056.db2.gz XOXLVCVVJWWTES-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CN(C)CCC(=O)[C@H]1CCC[NH2+]1 76598236 572379183 /nfs/dbraw/zinc/37/91/83/572379183.db2.gz ZKZBXTLVZPERMI-MRVPVSSYSA-N 1 3 170.256 0.259 10 0 ACAEHO CCC(CC)N1CCN(CC[NH3+])CC1 87156911 572379752 /nfs/dbraw/zinc/37/97/52/572379752.db2.gz AZCIQVXBYUWZLN-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CCC[C@@H](N)C(O)[C@H]([NH3+])CCC 238224187 572379983 /nfs/dbraw/zinc/37/99/83/572379983.db2.gz ZPXOBEGJKOXPKL-HTQZYQBOSA-N 1 3 174.288 0.602 10 0 ACAEHO FCC[NH2+]CC[C@H]1CSCCN1 308005398 572380184 /nfs/dbraw/zinc/38/01/84/572380184.db2.gz LFEARFFUAAECAS-QMMMGPOBSA-N 1 3 192.303 0.641 10 0 ACAEHO FCC[NH2+]CC[C@@H]1CSCCN1 308005397 572380484 /nfs/dbraw/zinc/38/04/84/572380484.db2.gz LFEARFFUAAECAS-MRVPVSSYSA-N 1 3 192.303 0.641 10 0 ACAEHO CCC(CC)N[C@H]1[C@H]2OCC[C@@H]2[C@H]1[NH3+] 87157028 572381872 /nfs/dbraw/zinc/38/18/72/572381872.db2.gz NXLYONHGKIGRTG-DBIOUOCHSA-N 1 3 198.310 0.879 10 0 ACAEHO C[C@H]([NH2+]CCCN)C(C)(C)O 83727039 572382420 /nfs/dbraw/zinc/38/24/20/572382420.db2.gz JTNIFVQVVZQINE-ZETCQYMHSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@@H]([NH2+]CCCN)C(C)(C)O 83727042 572382628 /nfs/dbraw/zinc/38/26/28/572382628.db2.gz JTNIFVQVVZQINE-SSDOTTSWSA-N 1 3 160.261 0.084 10 0 ACAEHO CN(C)CCC(=O)[C@@H]1CCC[NH2+]1 76598235 572382948 /nfs/dbraw/zinc/38/29/48/572382948.db2.gz ZKZBXTLVZPERMI-QMMMGPOBSA-N 1 3 170.256 0.259 10 0 ACAEHO C[C@@H](C[NH3+])N1CCC[C@@H]1CCCO 52758340 572387141 /nfs/dbraw/zinc/38/71/41/572387141.db2.gz NBGKDWMQNWBREA-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C[NH2+]CCCF)=C1CNC1 308005978 572387162 /nfs/dbraw/zinc/38/71/62/572387162.db2.gz LTMTVAABPFXHLR-UHFFFAOYSA-N 1 3 172.247 0.855 10 0 ACAEHO C[N@@H+]1CCCC[C@H](O)[C@@H]1CCN 76599355 572386747 /nfs/dbraw/zinc/38/67/47/572386747.db2.gz SQGWMRNMTXYTAR-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@H+]1CCCC[C@H](O)[C@@H]1CCN 76599355 572386752 /nfs/dbraw/zinc/38/67/52/572386752.db2.gz SQGWMRNMTXYTAR-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1C[C@@H]([C@H](O)C[NH3+])CCN1C 76599442 572388161 /nfs/dbraw/zinc/38/81/61/572388161.db2.gz UYXJNDWHMXWXLT-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[N@@H+]1CCCC[C@@H](O)[C@@H]1CCN 76599356 572388301 /nfs/dbraw/zinc/38/83/01/572388301.db2.gz SQGWMRNMTXYTAR-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@H+]1CCCC[C@@H](O)[C@@H]1CCN 76599356 572388302 /nfs/dbraw/zinc/38/83/02/572388302.db2.gz SQGWMRNMTXYTAR-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CCCCNC(=N)SC(N)=[NH2+] 238225132 572388364 /nfs/dbraw/zinc/38/83/64/572388364.db2.gz AAODBFATNGKNGS-UHFFFAOYSA-N 1 3 174.273 0.938 10 0 ACAEHO C[C@@H]1C[C@H]([C@H](O)C[NH3+])CCN1C 76599437 572388768 /nfs/dbraw/zinc/38/87/68/572388768.db2.gz UYXJNDWHMXWXLT-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO CN1CC[C@@H](CCC[NH3+])[C@H](O)C1 76599400 572389281 /nfs/dbraw/zinc/38/92/81/572389281.db2.gz IPIMZIQBJPFHJH-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CC[C@H](CCC[NH3+])[C@H](O)C1 76599396 572389673 /nfs/dbraw/zinc/38/96/73/572389673.db2.gz IPIMZIQBJPFHJH-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N2CC[C@@H](OC)C2)C1 234432273 572390194 /nfs/dbraw/zinc/39/01/94/572390194.db2.gz UIHQANVCPKZBLD-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)COC1 87197220 572390227 /nfs/dbraw/zinc/39/02/27/572390227.db2.gz ARLIDQFDICYGCB-NXEZZACHSA-N 1 3 198.310 0.740 10 0 ACAEHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)COC1 87197222 572390323 /nfs/dbraw/zinc/39/03/23/572390323.db2.gz ARLIDQFDICYGCB-VHSXEESVSA-N 1 3 198.310 0.740 10 0 ACAEHO CCC[C@@](F)(C[NH3+])[C@H]1C=CCN1 308006820 572390771 /nfs/dbraw/zinc/39/07/71/572390771.db2.gz MJMFVUZBEJLUAZ-RKDXNWHRSA-N 1 3 172.247 0.982 10 0 ACAEHO CCC[C@](F)(C[NH3+])[C@@H]1C=CCN1 308006818 572391401 /nfs/dbraw/zinc/39/14/01/572391401.db2.gz MJMFVUZBEJLUAZ-IUCAKERBSA-N 1 3 172.247 0.982 10 0 ACAEHO COCCNC[C@@H](C[NH3+])CC(C)C 87187606 572391938 /nfs/dbraw/zinc/39/19/38/572391938.db2.gz FJDOYDLRJQAORY-SNVBAGLBSA-N 1 3 188.315 0.843 10 0 ACAEHO COCC[NH2+]C[C@@H](CN)CC(C)C 87187606 572391941 /nfs/dbraw/zinc/39/19/41/572391941.db2.gz FJDOYDLRJQAORY-SNVBAGLBSA-N 1 3 188.315 0.843 10 0 ACAEHO COCC[NH2+]C[C@@H](N)CCSC 308007637 572391983 /nfs/dbraw/zinc/39/19/83/572391983.db2.gz NIIKYACUQFKTPW-QMMMGPOBSA-N 1 3 192.328 0.303 10 0 ACAEHO CCC[C@@](F)(C[NH3+])[C@@H]1C=CCN1 308006816 572392347 /nfs/dbraw/zinc/39/23/47/572392347.db2.gz MJMFVUZBEJLUAZ-DTWKUNHWSA-N 1 3 172.247 0.982 10 0 ACAEHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)COC1 87197221 572392724 /nfs/dbraw/zinc/39/27/24/572392724.db2.gz ARLIDQFDICYGCB-ZJUUUORDSA-N 1 3 198.310 0.740 10 0 ACAEHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)COC1 87197223 572392773 /nfs/dbraw/zinc/39/27/73/572392773.db2.gz ARLIDQFDICYGCB-UWVGGRQHSA-N 1 3 198.310 0.740 10 0 ACAEHO COCC[NH2+]C[C@H](N)CCSC 308007635 572393055 /nfs/dbraw/zinc/39/30/55/572393055.db2.gz NIIKYACUQFKTPW-MRVPVSSYSA-N 1 3 192.328 0.303 10 0 ACAEHO CCCC[C@@H](C[NH3+])NCCO 83758409 572393228 /nfs/dbraw/zinc/39/32/28/572393228.db2.gz RELSRARYCUIWLF-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO CCCCC[C@H](C[NH3+])NCCO 83758320 572393277 /nfs/dbraw/zinc/39/32/77/572393277.db2.gz ZRLBDDMYUAFKIM-SECBINFHSA-N 1 3 174.288 0.476 10 0 ACAEHO [NH3+]C[C@H](NCCO)C1CCCC1 83758136 572393429 /nfs/dbraw/zinc/39/34/29/572393429.db2.gz ZIBWCGLYWAAPTN-VIFPVBQESA-N 1 3 172.272 0.086 10 0 ACAEHO CC(C)C[C@@](C)(C[NH3+])NCCO 83758213 572394439 /nfs/dbraw/zinc/39/44/39/572394439.db2.gz QZTKMQLISYAQJW-VIFPVBQESA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H]1CC[C@](C[NH3+])(NCCO)C1 83758301 572393522 /nfs/dbraw/zinc/39/35/22/572393522.db2.gz BISBRRWSJATSTF-BDAKNGLRSA-N 1 3 172.272 0.086 10 0 ACAEHO COCCNC[C@H](C[NH3+])CC(C)C 87187603 572393759 /nfs/dbraw/zinc/39/37/59/572393759.db2.gz FJDOYDLRJQAORY-JTQLQIEISA-N 1 3 188.315 0.843 10 0 ACAEHO COCC[NH2+]C[C@H](CN)CC(C)C 87187603 572393762 /nfs/dbraw/zinc/39/37/62/572393762.db2.gz FJDOYDLRJQAORY-JTQLQIEISA-N 1 3 188.315 0.843 10 0 ACAEHO C[C@H]1CCC[C@@]1(C[NH3+])NCCO 83758103 572394457 /nfs/dbraw/zinc/39/44/57/572394457.db2.gz OROWELFHEQUEDL-IUCAKERBSA-N 1 3 172.272 0.086 10 0 ACAEHO [NH3+]C[C@@H](NCCO)C1CCCC1 83758135 572393800 /nfs/dbraw/zinc/39/38/00/572393800.db2.gz ZIBWCGLYWAAPTN-SECBINFHSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@H]1CCC[C@](C[NH3+])(NCCO)C1 83758382 572393954 /nfs/dbraw/zinc/39/39/54/572393954.db2.gz UHMVMDIKIXESAH-UWVGGRQHSA-N 1 3 186.299 0.476 10 0 ACAEHO CC[C@H](C)N[C@]1(C[NH3+])CCOC1 83760759 572394479 /nfs/dbraw/zinc/39/44/79/572394479.db2.gz WCJHPWGEKOSKSD-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CCC[C@](F)(C[NH3+])[C@H]1C=CCN1 308006814 572394068 /nfs/dbraw/zinc/39/40/68/572394068.db2.gz MJMFVUZBEJLUAZ-BDAKNGLRSA-N 1 3 172.247 0.982 10 0 ACAEHO CC[C@@H](C)[NH2+]C1(CN)CCN(C)CC1 83760599 572394104 /nfs/dbraw/zinc/39/41/04/572394104.db2.gz BHPWEMFPCWMVPU-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO CCC[C@H](C)[C@@H](C[NH3+])NCCO 83758182 572394165 /nfs/dbraw/zinc/39/41/65/572394165.db2.gz QNOYXNCZYADVER-DTWKUNHWSA-N 1 3 174.288 0.332 10 0 ACAEHO CCN(CC)[C@@H](C)[C@H](C)NC(N)=[NH2+] 308006989 572394215 /nfs/dbraw/zinc/39/42/15/572394215.db2.gz DTARVVXHSDRBQB-YUMQZZPRSA-N 1 3 186.303 0.588 10 0 ACAEHO CC(C)CC[C@](C)(C[NH3+])NCCO 83758438 572394273 /nfs/dbraw/zinc/39/42/73/572394273.db2.gz RCOPVQMCMMMZMD-SNVBAGLBSA-N 1 3 188.315 0.722 10 0 ACAEHO C[C@@H]1CCC[C@](C[NH3+])(NCCO)C1 83758381 572394291 /nfs/dbraw/zinc/39/42/91/572394291.db2.gz UHMVMDIKIXESAH-ZJUUUORDSA-N 1 3 186.299 0.476 10 0 ACAEHO CC(C)CC[C@@](C)(C[NH3+])NCCO 83758437 572394304 /nfs/dbraw/zinc/39/43/04/572394304.db2.gz RCOPVQMCMMMZMD-JTQLQIEISA-N 1 3 188.315 0.722 10 0 ACAEHO CC[C@H](C)N[C@@]1(C[NH3+])CCOC1 83760763 572394347 /nfs/dbraw/zinc/39/43/47/572394347.db2.gz WCJHPWGEKOSKSD-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]1CC[C@@](C[NH3+])(NCCO)C1 83758299 572394419 /nfs/dbraw/zinc/39/44/19/572394419.db2.gz BISBRRWSJATSTF-RKDXNWHRSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@@H]1CCC[C@]1(C[NH3+])NCCO 83758104 572394912 /nfs/dbraw/zinc/39/49/12/572394912.db2.gz OROWELFHEQUEDL-RKDXNWHRSA-N 1 3 172.272 0.086 10 0 ACAEHO CC(C)(C)C[C@@H](C[NH3+])NCCO 83758189 572394925 /nfs/dbraw/zinc/39/49/25/572394925.db2.gz CDODWDFUSRXYQZ-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO [NH3+]CC1(NCCO)CCCCCC1 83758124 572395175 /nfs/dbraw/zinc/39/51/75/572395175.db2.gz KSZVGSLLFXZRIK-UHFFFAOYSA-N 1 3 186.299 0.620 10 0 ACAEHO CCC[C@@H](C)[C@@H](C[NH3+])NCCO 83758181 572395026 /nfs/dbraw/zinc/39/50/26/572395026.db2.gz QNOYXNCZYADVER-RKDXNWHRSA-N 1 3 174.288 0.332 10 0 ACAEHO CCCCC[C@@H](C[NH3+])NCCO 83758319 572395039 /nfs/dbraw/zinc/39/50/39/572395039.db2.gz ZRLBDDMYUAFKIM-VIFPVBQESA-N 1 3 174.288 0.476 10 0 ACAEHO C[C@@H]1CCC[C@@](C[NH3+])(NCCO)C1 83758379 572395068 /nfs/dbraw/zinc/39/50/68/572395068.db2.gz UHMVMDIKIXESAH-NXEZZACHSA-N 1 3 186.299 0.476 10 0 ACAEHO CC[C@@H](C)N[C@]1(C[NH3+])CCCOC1 83760507 572395244 /nfs/dbraw/zinc/39/52/44/572395244.db2.gz MQTPACKYKHTNLU-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CCCCCC[C@H](C[NH3+])NCCO 83758264 572395261 /nfs/dbraw/zinc/39/52/61/572395261.db2.gz CXRQCUHVYRWSLX-SNVBAGLBSA-N 1 3 188.315 0.866 10 0 ACAEHO C[C@H]1CC[C@@](C[NH3+])(NCCO)C1 83758300 572395335 /nfs/dbraw/zinc/39/53/35/572395335.db2.gz BISBRRWSJATSTF-DTWKUNHWSA-N 1 3 172.272 0.086 10 0 ACAEHO CC[C@H](C)[NH2+]C1(CN)CCN(C)CC1 83760602 572395423 /nfs/dbraw/zinc/39/54/23/572395423.db2.gz BHPWEMFPCWMVPU-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO CC[C@H](C)N[C@]1(C[NH3+])CCCOC1 83760508 572395500 /nfs/dbraw/zinc/39/55/00/572395500.db2.gz MQTPACKYKHTNLU-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]1CCC[C@]1(C[NH3+])NCCO 83758105 572395584 /nfs/dbraw/zinc/39/55/84/572395584.db2.gz OROWELFHEQUEDL-DTWKUNHWSA-N 1 3 172.272 0.086 10 0 ACAEHO CC(C)(C)C[C@H](C[NH3+])NCCO 83758190 572395627 /nfs/dbraw/zinc/39/56/27/572395627.db2.gz CDODWDFUSRXYQZ-MRVPVSSYSA-N 1 3 174.288 0.332 10 0 ACAEHO CC[C@@H](C)N[C@@]1(C[NH3+])CCCOC1 83760510 572395773 /nfs/dbraw/zinc/39/57/73/572395773.db2.gz MQTPACKYKHTNLU-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@H]1CC[C@@](C[NH3+])(NCCO)C1 83758146 572395894 /nfs/dbraw/zinc/39/58/94/572395894.db2.gz CPFFPHRKIKQZQU-VHSXEESVSA-N 1 3 186.299 0.476 10 0 ACAEHO CCC[C@@H](C)[C@H](C[NH3+])NCCO 83758183 572396305 /nfs/dbraw/zinc/39/63/05/572396305.db2.gz QNOYXNCZYADVER-BDAKNGLRSA-N 1 3 174.288 0.332 10 0 ACAEHO CC[C@@H]1CC[C@@](C[NH3+])(NCCO)C1 83758145 572396631 /nfs/dbraw/zinc/39/66/31/572396631.db2.gz CPFFPHRKIKQZQU-NXEZZACHSA-N 1 3 186.299 0.476 10 0 ACAEHO CC[C@@H](C)N[C@]1(C[NH3+])CCOC1 83760757 572397059 /nfs/dbraw/zinc/39/70/59/572397059.db2.gz WCJHPWGEKOSKSD-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO [NH3+]CC1(NCCO)CCCCC1 83758077 572397090 /nfs/dbraw/zinc/39/70/90/572397090.db2.gz LJKKWROMBCJQSC-UHFFFAOYSA-N 1 3 172.272 0.230 10 0 ACAEHO CC1CCC(C[NH3+])(NCCO)CC1 83758074 572397218 /nfs/dbraw/zinc/39/72/18/572397218.db2.gz GPDUSFPXGVHELH-UHFFFAOYSA-N 1 3 186.299 0.476 10 0 ACAEHO CCC[C@@](C)(C[NH3+])NCCO 83758217 572397248 /nfs/dbraw/zinc/39/72/48/572397248.db2.gz OWRRLAQRHCYKPY-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO CC[C@@](C[NH3+])(NCCO)C1CC1 83758153 572397322 /nfs/dbraw/zinc/39/73/22/572397322.db2.gz CDWQLDACCOTCGR-VIFPVBQESA-N 1 3 172.272 0.086 10 0 ACAEHO CCC(CC)[C@@H](C[NH3+])NCCO 83758430 572397385 /nfs/dbraw/zinc/39/73/85/572397385.db2.gz CJRYGTNFWYBANT-SECBINFHSA-N 1 3 174.288 0.332 10 0 ACAEHO CCCC[C@H](C[NH3+])NCCO 83758410 572397427 /nfs/dbraw/zinc/39/74/27/572397427.db2.gz RELSRARYCUIWLF-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO CCC(CC)[C@H](C[NH3+])NCCO 83758431 572397484 /nfs/dbraw/zinc/39/74/84/572397484.db2.gz CJRYGTNFWYBANT-VIFPVBQESA-N 1 3 174.288 0.332 10 0 ACAEHO CC[C@H](C)N[C@@]1(C[NH3+])CCCOC1 83760512 572397528 /nfs/dbraw/zinc/39/75/28/572397528.db2.gz MQTPACKYKHTNLU-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@@H]1CC[C@](C[NH3+])(NCCO)C1 83758147 572397552 /nfs/dbraw/zinc/39/75/52/572397552.db2.gz CPFFPHRKIKQZQU-ZJUUUORDSA-N 1 3 186.299 0.476 10 0 ACAEHO CC(C)C[C@](C)(C[NH3+])NCCO 83758214 572397565 /nfs/dbraw/zinc/39/75/65/572397565.db2.gz QZTKMQLISYAQJW-SECBINFHSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H]1CC[C@](C[NH3+])(NCCO)C1 83758302 572397644 /nfs/dbraw/zinc/39/76/44/572397644.db2.gz BISBRRWSJATSTF-IUCAKERBSA-N 1 3 172.272 0.086 10 0 ACAEHO CCCCCC[C@@H](C[NH3+])NCCO 83758263 572397655 /nfs/dbraw/zinc/39/76/55/572397655.db2.gz CXRQCUHVYRWSLX-JTQLQIEISA-N 1 3 188.315 0.866 10 0 ACAEHO CCC[C@](C)(C[NH3+])NCCO 83758218 572397755 /nfs/dbraw/zinc/39/77/55/572397755.db2.gz OWRRLAQRHCYKPY-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO CCCC[C@@](CC)(C[NH3+])NCCO 83758289 572397887 /nfs/dbraw/zinc/39/78/87/572397887.db2.gz AYRCIEBJOSCFPT-JTQLQIEISA-N 1 3 188.315 0.866 10 0 ACAEHO CCCC[C@](CC)(C[NH3+])NCCO 83758290 572397906 /nfs/dbraw/zinc/39/79/06/572397906.db2.gz AYRCIEBJOSCFPT-SNVBAGLBSA-N 1 3 188.315 0.866 10 0 ACAEHO CC[C@H]1CC[C@](C[NH3+])(NCCO)C1 83758148 572397949 /nfs/dbraw/zinc/39/79/49/572397949.db2.gz CPFFPHRKIKQZQU-UWVGGRQHSA-N 1 3 186.299 0.476 10 0 ACAEHO CCC[C@H](C)[C@H](C[NH3+])NCCO 83758184 572397980 /nfs/dbraw/zinc/39/79/80/572397980.db2.gz QNOYXNCZYADVER-IUCAKERBSA-N 1 3 174.288 0.332 10 0 ACAEHO CC[C@](C[NH3+])(NCCO)C1CC1 83758152 572398035 /nfs/dbraw/zinc/39/80/35/572398035.db2.gz CDWQLDACCOTCGR-SECBINFHSA-N 1 3 172.272 0.086 10 0 ACAEHO CC[C@@H](C)N[C@@]1(C[NH3+])CCOC1 83760762 572398062 /nfs/dbraw/zinc/39/80/62/572398062.db2.gz WCJHPWGEKOSKSD-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO CCN(CC)CC[NH2+][C@H](CN)C1CC1 83764159 572398538 /nfs/dbraw/zinc/39/85/38/572398538.db2.gz SMTMVMVCNXWCDH-LLVKDONJSA-N 1 3 199.342 0.655 10 0 ACAEHO [NH3+]C[C@H](NC[C@@H]1CCCO1)C1CC1 83774360 572398582 /nfs/dbraw/zinc/39/85/82/572398582.db2.gz SKFZENNDEDUAGN-UWVGGRQHSA-N 1 3 184.283 0.492 10 0 ACAEHO CCC[C@@H](CN)[NH2+]CCN(C)C 83763054 572398601 /nfs/dbraw/zinc/39/86/01/572398601.db2.gz BUKJXCUUHVJDMT-VIFPVBQESA-N 1 3 173.304 0.265 10 0 ACAEHO CCC[C@@H](C[NH3+])NCCN(C)C 83763054 572398605 /nfs/dbraw/zinc/39/86/05/572398605.db2.gz BUKJXCUUHVJDMT-VIFPVBQESA-N 1 3 173.304 0.265 10 0 ACAEHO CCC[C@@](C)(C[NH3+])NCCCO 83775287 572398887 /nfs/dbraw/zinc/39/88/87/572398887.db2.gz AINJMCZCOWIDPS-VIFPVBQESA-N 1 3 174.288 0.476 10 0 ACAEHO C[C@@](C[NH3+])(NC[C@@H]1CCCO1)C1CC1 83774282 572398999 /nfs/dbraw/zinc/39/89/99/572398999.db2.gz MXJDEILSEHOTSZ-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO CCN(CC)CC[NH2+]C(C)(C)CN 83764184 572399068 /nfs/dbraw/zinc/39/90/68/572399068.db2.gz XXJFUALPIRFXJI-UHFFFAOYSA-N 1 3 187.331 0.655 10 0 ACAEHO COC[C@](C)(C[NH3+])NCC(C)C 83762025 572399095 /nfs/dbraw/zinc/39/90/95/572399095.db2.gz GHPOUSRHRFJPCG-VIFPVBQESA-N 1 3 174.288 0.596 10 0 ACAEHO CCC[C@H](CN)[NH2+]CCN(C)C 83763056 572399102 /nfs/dbraw/zinc/39/91/02/572399102.db2.gz BUKJXCUUHVJDMT-SECBINFHSA-N 1 3 173.304 0.265 10 0 ACAEHO CCC[C@H](C[NH3+])NCCN(C)C 83763056 572399103 /nfs/dbraw/zinc/39/91/03/572399103.db2.gz BUKJXCUUHVJDMT-SECBINFHSA-N 1 3 173.304 0.265 10 0 ACAEHO COC[C@](C)(C[NH3+])NC1CCCC1 83762747 572399142 /nfs/dbraw/zinc/39/91/42/572399142.db2.gz AOPWDXNNRWXOKG-JTQLQIEISA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)(C)[C@@H](C[NH3+])NCCCO 83775217 572399156 /nfs/dbraw/zinc/39/91/56/572399156.db2.gz PQKNQIRGTQGAIL-MRVPVSSYSA-N 1 3 174.288 0.332 10 0 ACAEHO CC[C@H](C[NH3+])NC[C@@H]1CCCO1 83774272 572399164 /nfs/dbraw/zinc/39/91/64/572399164.db2.gz BYOLSGSGKVWUSA-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO CC(C)C[NH2+]C1(CN)CCN(C)CC1 83761552 572399171 /nfs/dbraw/zinc/39/91/71/572399171.db2.gz NRCDNRGHRRLQDR-UHFFFAOYSA-N 1 3 199.342 0.655 10 0 ACAEHO COC[C@@](C)(C[NH3+])NCC(C)C 83762030 572399178 /nfs/dbraw/zinc/39/91/78/572399178.db2.gz GHPOUSRHRFJPCG-SECBINFHSA-N 1 3 174.288 0.596 10 0 ACAEHO CC[C@](C)(C[NH3+])NCCCO 83775376 572399207 /nfs/dbraw/zinc/39/92/07/572399207.db2.gz ZURHMIJGNDAMKP-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO CC[C@@H](C)N[C@@](C)(C[NH3+])COC 83761254 572399224 /nfs/dbraw/zinc/39/92/24/572399224.db2.gz FYONDCSVZNCGRI-BDAKNGLRSA-N 1 3 174.288 0.738 10 0 ACAEHO CC[C@](C)(C[NH3+])NC[C@@H]1CCCO1 83774318 572399237 /nfs/dbraw/zinc/39/92/37/572399237.db2.gz WTWWEYHDAKXLNA-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO [NH3+]C[C@@]1(NCC2CC2)CCCOC1 83763488 572399270 /nfs/dbraw/zinc/39/92/70/572399270.db2.gz HHKLSSFFYCWZBG-JTQLQIEISA-N 1 3 184.283 0.494 10 0 ACAEHO CC(C)CN[C@@]1(C[NH3+])CCCOC1 83761509 572399287 /nfs/dbraw/zinc/39/92/87/572399287.db2.gz YRWJQHGOPHWOMN-SNVBAGLBSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@](C[NH3+])(NC[C@H]1CCCO1)C1CC1 83774283 572401403 /nfs/dbraw/zinc/40/14/03/572401403.db2.gz MXJDEILSEHOTSZ-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(C)CN[C@]1(C[NH3+])CCCOC1 83761507 572399327 /nfs/dbraw/zinc/39/93/27/572399327.db2.gz YRWJQHGOPHWOMN-JTQLQIEISA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@](C[NH3+])(COC)NCC1CC1 83763576 572399345 /nfs/dbraw/zinc/39/93/45/572399345.db2.gz PNZWDUAVWPXXDJ-SNVBAGLBSA-N 1 3 186.299 0.740 10 0 ACAEHO COC[C@@](C)(C[NH3+])NC1CCCC1 83762743 572399362 /nfs/dbraw/zinc/39/93/62/572399362.db2.gz AOPWDXNNRWXOKG-SNVBAGLBSA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)C[C@@H](C[NH3+])NCCCO 83775371 572401414 /nfs/dbraw/zinc/40/14/14/572401414.db2.gz CUTUUBDHRQQZKG-VIFPVBQESA-N 1 3 174.288 0.332 10 0 ACAEHO [NH3+]C[C@]1(NCC2CC2)CCOC1 83763639 572399440 /nfs/dbraw/zinc/39/94/40/572399440.db2.gz UXHRVLQUUSGBMX-SECBINFHSA-N 1 3 170.256 0.104 10 0 ACAEHO CC[C@H](C)N[C@@](C)(C[NH3+])COC 83761257 572399457 /nfs/dbraw/zinc/39/94/57/572399457.db2.gz FYONDCSVZNCGRI-IUCAKERBSA-N 1 3 174.288 0.738 10 0 ACAEHO CC(C)(C)C[C@@H](C[NH3+])NCCCO 83775261 572399518 /nfs/dbraw/zinc/39/95/18/572399518.db2.gz YNLGYCXUJKKWLX-VIFPVBQESA-N 1 3 188.315 0.722 10 0 ACAEHO CC(C)C[C@H](C[NH3+])NCCCO 83775372 572399637 /nfs/dbraw/zinc/39/96/37/572399637.db2.gz CUTUUBDHRQQZKG-SECBINFHSA-N 1 3 174.288 0.332 10 0 ACAEHO CCC[C@@H](C[NH3+])NC[C@@H]1CCCO1 83774241 572399763 /nfs/dbraw/zinc/39/97/63/572399763.db2.gz GHTQINJZAHFBFR-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@H](CN)[NH2+]CCN(CC)CC 83764093 572399814 /nfs/dbraw/zinc/39/98/14/572399814.db2.gz QLIOAIVLCRKVAK-SNVBAGLBSA-N 1 3 187.331 0.655 10 0 ACAEHO [NH3+]C[C@@H](NC[C@H]1CCCO1)C1CC1 83774361 572399857 /nfs/dbraw/zinc/39/98/57/572399857.db2.gz SKFZENNDEDUAGN-NXEZZACHSA-N 1 3 184.283 0.492 10 0 ACAEHO CCC[C@@H](C[NH3+])NC[C@H]1CCCO1 83774243 572400050 /nfs/dbraw/zinc/40/00/50/572400050.db2.gz GHTQINJZAHFBFR-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CCCCC[C@@H](C[NH3+])NCCCO 83775377 572400154 /nfs/dbraw/zinc/40/01/54/572400154.db2.gz LXRIAKOQWKGRQZ-JTQLQIEISA-N 1 3 188.315 0.866 10 0 ACAEHO CC(C)CN[C@]1(C[NH3+])CCOC1 83761648 572400244 /nfs/dbraw/zinc/40/02/44/572400244.db2.gz NECFMHUHKUPTGD-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO CC[C@H](C[NH3+])NC[C@H]1CCCO1 83774274 572400408 /nfs/dbraw/zinc/40/04/08/572400408.db2.gz BYOLSGSGKVWUSA-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO CN(C)CCN[C@H](C[NH3+])c1ccco1 83763163 572400419 /nfs/dbraw/zinc/40/04/19/572400419.db2.gz XJYKORLYRIKLJO-SECBINFHSA-N 1 3 197.282 0.431 10 0 ACAEHO CC(C)[C@@H](C[NH3+])NC[C@H]1CCCO1 83774315 572400430 /nfs/dbraw/zinc/40/04/30/572400430.db2.gz JNCVREDMPFKXNL-NXEZZACHSA-N 1 3 186.299 0.738 10 0 ACAEHO CCN(CC)CC[NH2+][C@@H](CN)C1CC1 83764157 572400441 /nfs/dbraw/zinc/40/04/41/572400441.db2.gz SMTMVMVCNXWCDH-NSHDSACASA-N 1 3 199.342 0.655 10 0 ACAEHO CC[C@H](C)N[C@](C)(C[NH3+])COC 83761260 572400483 /nfs/dbraw/zinc/40/04/83/572400483.db2.gz FYONDCSVZNCGRI-DTWKUNHWSA-N 1 3 174.288 0.738 10 0 ACAEHO CC(C)[C@@H](C[NH3+])NC[C@@H]1CCCO1 83774313 572400589 /nfs/dbraw/zinc/40/05/89/572400589.db2.gz JNCVREDMPFKXNL-VHSXEESVSA-N 1 3 186.299 0.738 10 0 ACAEHO CC[C@@](C)(C[NH3+])NC[C@H]1CCCO1 83774319 572400691 /nfs/dbraw/zinc/40/06/91/572400691.db2.gz WTWWEYHDAKXLNA-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO [NH3+]C[C@@H](NC[C@@H]1CCCO1)C1CC1 83774362 572400755 /nfs/dbraw/zinc/40/07/55/572400755.db2.gz SKFZENNDEDUAGN-VHSXEESVSA-N 1 3 184.283 0.492 10 0 ACAEHO CC[C@@H](C[NH3+])NC[C@H]1CCCO1 83774273 572400990 /nfs/dbraw/zinc/40/09/90/572400990.db2.gz BYOLSGSGKVWUSA-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@](C[NH3+])(NC[C@@H]1CCCO1)C1CC1 83774281 572401009 /nfs/dbraw/zinc/40/10/09/572401009.db2.gz MXJDEILSEHOTSZ-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO CCCCC[C@H](C[NH3+])NCCCO 83775378 572401098 /nfs/dbraw/zinc/40/10/98/572401098.db2.gz LXRIAKOQWKGRQZ-SNVBAGLBSA-N 1 3 188.315 0.866 10 0 ACAEHO CN(C)CCN[C@@H](C[NH3+])c1ccco1 83763161 572401117 /nfs/dbraw/zinc/40/11/17/572401117.db2.gz XJYKORLYRIKLJO-VIFPVBQESA-N 1 3 197.282 0.431 10 0 ACAEHO CC[C@@](C)(C[NH3+])NCCCO 83775375 572401143 /nfs/dbraw/zinc/40/11/43/572401143.db2.gz ZURHMIJGNDAMKP-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO CCN(CC)CC[NH2+][C@@H](C)CN 83764141 572401200 /nfs/dbraw/zinc/40/12/00/572401200.db2.gz UFINAYPJLFKSTN-VIFPVBQESA-N 1 3 173.304 0.265 10 0 ACAEHO CC(C)[C@H](C[NH3+])NC[C@H]1CCCO1 83774316 572401528 /nfs/dbraw/zinc/40/15/28/572401528.db2.gz JNCVREDMPFKXNL-ZJUUUORDSA-N 1 3 186.299 0.738 10 0 ACAEHO [NH3+]C[C@@]1(NCC2CC2)CCOC1 83763637 572401545 /nfs/dbraw/zinc/40/15/45/572401545.db2.gz UXHRVLQUUSGBMX-VIFPVBQESA-N 1 3 170.256 0.104 10 0 ACAEHO CN1CCC(CN)([NH2+]CC2CC2)CC1 83763546 572401553 /nfs/dbraw/zinc/40/15/53/572401553.db2.gz VEMZSWXHJYCYDV-UHFFFAOYSA-N 1 3 197.326 0.409 10 0 ACAEHO CN(C)CCN[C@@H](C[NH3+])c1ccoc1 83763292 572401638 /nfs/dbraw/zinc/40/16/38/572401638.db2.gz HTCCCANUVQXWIE-JTQLQIEISA-N 1 3 197.282 0.431 10 0 ACAEHO CC[C@@H](CN)[NH2+]CCN(CC)CC 83764091 572401672 /nfs/dbraw/zinc/40/16/72/572401672.db2.gz QLIOAIVLCRKVAK-JTQLQIEISA-N 1 3 187.331 0.655 10 0 ACAEHO [NH3+]C[C@H](NC[C@H]1CCCO1)C1CC1 83774359 572401686 /nfs/dbraw/zinc/40/16/86/572401686.db2.gz SKFZENNDEDUAGN-ZJUUUORDSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+]C/C=C\CNCc1cncs1 308013890 572401849 /nfs/dbraw/zinc/40/18/49/572401849.db2.gz QJOHTGQHWXHUSK-UPHRSURJSA-N 1 3 183.280 0.748 10 0 ACAEHO CC(C)[C@H](C[NH3+])NC[C@@H]1CCCO1 83774314 572401920 /nfs/dbraw/zinc/40/19/20/572401920.db2.gz JNCVREDMPFKXNL-UWVGGRQHSA-N 1 3 186.299 0.738 10 0 ACAEHO Nc1nccn1CCC[NH+]1CCCC1 236347090 572401961 /nfs/dbraw/zinc/40/19/61/572401961.db2.gz ZGRCIFHHBKSREQ-UHFFFAOYSA-N 1 3 194.282 0.951 10 0 ACAEHO COC[C@@](C)(C[NH3+])NCC1CC1 83763943 572402109 /nfs/dbraw/zinc/40/21/09/572402109.db2.gz QOHVIULJPSNQGO-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO [NH3+]C/C=C/CNCc1cncs1 308013889 572402114 /nfs/dbraw/zinc/40/21/14/572402114.db2.gz QJOHTGQHWXHUSK-OWOJBTEDSA-N 1 3 183.280 0.748 10 0 ACAEHO CC(C)(C[NH3+])NC[C@H]1CCCO1 83774413 572402215 /nfs/dbraw/zinc/40/22/15/572402215.db2.gz VTZCPADYDQVXHT-MRVPVSSYSA-N 1 3 172.272 0.492 10 0 ACAEHO CCC[C@H](C[NH3+])NC[C@@H]1CCCO1 83774242 572402326 /nfs/dbraw/zinc/40/23/26/572402326.db2.gz GHTQINJZAHFBFR-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CCCC[C@H](CN)[NH2+]CCN(C)C 83763283 572402540 /nfs/dbraw/zinc/40/25/40/572402540.db2.gz ZLNINJJXNMVMGZ-SNVBAGLBSA-N 1 3 187.331 0.655 10 0 ACAEHO CCCC[C@H](C[NH3+])NCCN(C)C 83763283 572402544 /nfs/dbraw/zinc/40/25/44/572402544.db2.gz ZLNINJJXNMVMGZ-SNVBAGLBSA-N 1 3 187.331 0.655 10 0 ACAEHO CC(C)(C)[C@H](C[NH3+])NCCCO 83775218 572402596 /nfs/dbraw/zinc/40/25/96/572402596.db2.gz PQKNQIRGTQGAIL-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO CC(C)(C)C[C@H](C[NH3+])NCCCO 83775262 572402615 /nfs/dbraw/zinc/40/26/15/572402615.db2.gz YNLGYCXUJKKWLX-SECBINFHSA-N 1 3 188.315 0.722 10 0 ACAEHO CC[C@@H](C)N[C@](C)(C[NH3+])COC 83761258 572402746 /nfs/dbraw/zinc/40/27/46/572402746.db2.gz FYONDCSVZNCGRI-RKDXNWHRSA-N 1 3 174.288 0.738 10 0 ACAEHO CC[C@@](C)(C[NH3+])NC[C@@H]1CCCO1 83774317 572402762 /nfs/dbraw/zinc/40/27/62/572402762.db2.gz WTWWEYHDAKXLNA-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CCCC[C@@H](C[NH3+])NCCCO 83775452 572404458 /nfs/dbraw/zinc/40/44/58/572404458.db2.gz DQVGUXAZXOTFPI-VIFPVBQESA-N 1 3 174.288 0.476 10 0 ACAEHO CC1(C)CNCN(CCCC[NH3+])C1 238230513 572402920 /nfs/dbraw/zinc/40/29/20/572402920.db2.gz XWRAUSNALRMRIF-UHFFFAOYSA-N 1 3 185.315 0.614 10 0 ACAEHO CC[C@](C)(C[NH3+])NC[C@H]1CCCO1 83774320 572402922 /nfs/dbraw/zinc/40/29/22/572402922.db2.gz WTWWEYHDAKXLNA-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CCC[C@@H](C[NH3+])NCCCO 83775281 572402987 /nfs/dbraw/zinc/40/29/87/572402987.db2.gz LYTZGBDTJWKHEU-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO CC(C)CN[C@@]1(C[NH3+])CCOC1 83761649 572403109 /nfs/dbraw/zinc/40/31/09/572403109.db2.gz NECFMHUHKUPTGD-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO CC[C@](C[NH3+])(COC)NCC1CC1 83763578 572403193 /nfs/dbraw/zinc/40/31/93/572403193.db2.gz PNZWDUAVWPXXDJ-JTQLQIEISA-N 1 3 186.299 0.740 10 0 ACAEHO [NH3+]C[C@@]1(NCC2CC2)CCSC1 83763900 572403250 /nfs/dbraw/zinc/40/32/50/572403250.db2.gz MQYLDRVSXAHQRJ-VIFPVBQESA-N 1 3 186.324 0.820 10 0 ACAEHO CN(C)CCN[C@H](C[NH3+])c1ccoc1 83763293 572403278 /nfs/dbraw/zinc/40/32/78/572403278.db2.gz HTCCCANUVQXWIE-SNVBAGLBSA-N 1 3 197.282 0.431 10 0 ACAEHO CCC[C@H](C[NH3+])NC[C@H]1CCCO1 83774244 572403355 /nfs/dbraw/zinc/40/33/55/572403355.db2.gz GHTQINJZAHFBFR-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CCC[C@](C)(C[NH3+])NCCCO 83775288 572403426 /nfs/dbraw/zinc/40/34/26/572403426.db2.gz AINJMCZCOWIDPS-SECBINFHSA-N 1 3 174.288 0.476 10 0 ACAEHO CCC[C@H](C[NH3+])NCCCO 83775282 572403433 /nfs/dbraw/zinc/40/34/33/572403433.db2.gz LYTZGBDTJWKHEU-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO COC[C@](C)(C[NH3+])NCC1CC1 83763945 572403461 /nfs/dbraw/zinc/40/34/61/572403461.db2.gz QOHVIULJPSNQGO-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO CCCC[C@@H](CN)[NH2+]CCN(C)C 83763281 572403466 /nfs/dbraw/zinc/40/34/66/572403466.db2.gz ZLNINJJXNMVMGZ-JTQLQIEISA-N 1 3 187.331 0.655 10 0 ACAEHO CCCC[C@@H](C[NH3+])NCCN(C)C 83763281 572403469 /nfs/dbraw/zinc/40/34/69/572403469.db2.gz ZLNINJJXNMVMGZ-JTQLQIEISA-N 1 3 187.331 0.655 10 0 ACAEHO [NH3+]C[C@]1(NCC2CC2)CCSC1 83763903 572403479 /nfs/dbraw/zinc/40/34/79/572403479.db2.gz MQYLDRVSXAHQRJ-SECBINFHSA-N 1 3 186.324 0.820 10 0 ACAEHO [NH3+]C[C@]1(NCC2CC2)CCCOC1 83763489 572403541 /nfs/dbraw/zinc/40/35/41/572403541.db2.gz HHKLSSFFYCWZBG-SNVBAGLBSA-N 1 3 184.283 0.494 10 0 ACAEHO CCN(CC)CC[NH2+][C@H](C)CN 83764144 572403547 /nfs/dbraw/zinc/40/35/47/572403547.db2.gz UFINAYPJLFKSTN-SECBINFHSA-N 1 3 173.304 0.265 10 0 ACAEHO C[C@@](C[NH3+])(NC[C@H]1CCCO1)C1CC1 83774284 572403627 /nfs/dbraw/zinc/40/36/27/572403627.db2.gz MXJDEILSEHOTSZ-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO CC(C)(C[NH3+])NC[C@]1(C)CCCO1 87251634 572408554 /nfs/dbraw/zinc/40/85/54/572408554.db2.gz UQWXMTVMOURFDB-JTQLQIEISA-N 1 3 186.299 0.882 10 0 ACAEHO CSCC[C@@H](C[NH3+])NCCCO 83775450 572405467 /nfs/dbraw/zinc/40/54/67/572405467.db2.gz BWYANMZMTGHWSV-QMMMGPOBSA-N 1 3 192.328 0.039 10 0 ACAEHO CN1CCN(CCCC[NH+](C)C)CC1 117093748 572405479 /nfs/dbraw/zinc/40/54/79/572405479.db2.gz NXDYJKQRZUKDSJ-UHFFFAOYSA-N 1 3 199.342 0.576 10 0 ACAEHO CCN(C)Cc1ccc(C[NH3+])cn1 87223120 572405684 /nfs/dbraw/zinc/40/56/84/572405684.db2.gz IPKJMJZHYGUWAM-UHFFFAOYSA-N 1 3 179.267 0.992 10 0 ACAEHO CCCC[C@H](C[NH3+])NCCCO 83775453 572406116 /nfs/dbraw/zinc/40/61/16/572406116.db2.gz DQVGUXAZXOTFPI-SECBINFHSA-N 1 3 174.288 0.476 10 0 ACAEHO C[C@@]1(CNC[C@@H]2CC[NH2+]C2)CCCO1 87255897 572409751 /nfs/dbraw/zinc/40/97/51/572409751.db2.gz KRMPDYCPZSXFQJ-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO CSCC[C@H](C[NH3+])NCCCO 83775451 572406920 /nfs/dbraw/zinc/40/69/20/572406920.db2.gz BWYANMZMTGHWSV-MRVPVSSYSA-N 1 3 192.328 0.039 10 0 ACAEHO C[C@@H]([NH3+])CNC[C@]1(C)CCCO1 87255631 572407661 /nfs/dbraw/zinc/40/76/61/572407661.db2.gz QANPTWXBROLXGI-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@]1(CNC[C@@H]2CC[NH2+]C2)CCCO1 87255895 572407769 /nfs/dbraw/zinc/40/77/69/572407769.db2.gz KRMPDYCPZSXFQJ-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@@]1(C)CCCO1 87255945 572407788 /nfs/dbraw/zinc/40/77/88/572407788.db2.gz MGKOUFXGQDTBEX-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](C[NH3+])NC[C@@]1(C)CCCO1 87251586 572408157 /nfs/dbraw/zinc/40/81/57/572408157.db2.gz ZQPICAZVVJECHJ-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[NH2+]CCCNC[C@]1(C)CCCO1 87255442 572408164 /nfs/dbraw/zinc/40/81/64/572408164.db2.gz SITDKDOBSHTEJX-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO CNCCC[NH2+]C[C@]1(C)CCCO1 87255442 572408166 /nfs/dbraw/zinc/40/81/66/572408166.db2.gz SITDKDOBSHTEJX-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@]1(C)CCCO1 87255943 572408203 /nfs/dbraw/zinc/40/82/03/572408203.db2.gz MGKOUFXGQDTBEX-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@@H]([NH3+])CNC[C@]1(C)CCCO1 87255917 572408278 /nfs/dbraw/zinc/40/82/78/572408278.db2.gz RJTUMBQKJSXSMP-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@H]([NH3+])CNC[C@@]1(C)CCCO1 87255919 572408376 /nfs/dbraw/zinc/40/83/76/572408376.db2.gz RJTUMBQKJSXSMP-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H](C[NH3+])NC[C@]1(C)CCCO1 87251579 572408576 /nfs/dbraw/zinc/40/85/76/572408576.db2.gz ZQPICAZVVJECHJ-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@]1(C)CCCO1 87255941 572408656 /nfs/dbraw/zinc/40/86/56/572408656.db2.gz MGKOUFXGQDTBEX-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@]1(CNCC2([NH3+])CC2)CCCO1 87255447 572409031 /nfs/dbraw/zinc/40/90/31/572409031.db2.gz CNVXWKBKEFFPFK-VIFPVBQESA-N 1 3 184.283 0.636 10 0 ACAEHO C[NH2+]CCCNC[C@@]1(C)CCCO1 87255440 572411154 /nfs/dbraw/zinc/41/11/54/572411154.db2.gz SITDKDOBSHTEJX-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@H]([NH3+])CCNC[C@]1(C)CCCO1 87255449 572409181 /nfs/dbraw/zinc/40/91/81/572409181.db2.gz OATNKCXNLBYRHT-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@]1(C)CCCO1 87255946 572409257 /nfs/dbraw/zinc/40/92/57/572409257.db2.gz MGKOUFXGQDTBEX-NXEZZACHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@]1(C[NH2+]CCCN)CCCO1 87255716 572409349 /nfs/dbraw/zinc/40/93/49/572409349.db2.gz HUULKKYJDHUHIS-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO C[C@]1(CNCCC[NH3+])CCCO1 87255716 572409353 /nfs/dbraw/zinc/40/93/53/572409353.db2.gz HUULKKYJDHUHIS-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO CC[C@H]([NH3+])CNC[C@]1(C)CCCO1 87255916 572409420 /nfs/dbraw/zinc/40/94/20/572409420.db2.gz RJTUMBQKJSXSMP-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H]([NH3+])CCNC[C@]1(C)CCCO1 87255451 572409575 /nfs/dbraw/zinc/40/95/75/572409575.db2.gz OATNKCXNLBYRHT-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H]([NH3+])CNC[C@@]1(C)CCCO1 87255635 572410021 /nfs/dbraw/zinc/41/00/21/572410021.db2.gz QANPTWXBROLXGI-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO CC[C@@H]([NH3+])CNC[C@@]1(C)CCCO1 87255921 572410201 /nfs/dbraw/zinc/41/02/01/572410201.db2.gz RJTUMBQKJSXSMP-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CSC[C@@H](C)N[C@H](C)C[NH3+] 235036811 572412576 /nfs/dbraw/zinc/41/25/76/572412576.db2.gz SZRSSGLHXKWPJX-RNFRBKRXSA-N 1 3 162.302 0.675 10 0 ACAEHO CC[C@H](C[NH3+])NC[C@]1(C)CCCO1 87251843 572410428 /nfs/dbraw/zinc/41/04/28/572410428.db2.gz PJXDJXFYDOJTGB-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H](C[NH3+])NC[C@]1(C)CCCO1 87251580 572410544 /nfs/dbraw/zinc/41/05/44/572410544.db2.gz ZQPICAZVVJECHJ-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO CC[C@@H](C[NH3+])NC[C@@]1(C)CCCO1 87251845 572410582 /nfs/dbraw/zinc/41/05/82/572410582.db2.gz PJXDJXFYDOJTGB-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCC(C)(C)C1 87251957 572410629 /nfs/dbraw/zinc/41/06/29/572410629.db2.gz ZOWHZGCLLULRRI-SECBINFHSA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@@H](O)C[N@@H+]1CCC(C)(C)C1 87251957 572410633 /nfs/dbraw/zinc/41/06/33/572410633.db2.gz ZOWHZGCLLULRRI-SECBINFHSA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@@H](O)C[N@H+]1CCC(C)(C)C1 87251957 572410636 /nfs/dbraw/zinc/41/06/36/572410636.db2.gz ZOWHZGCLLULRRI-SECBINFHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H]([NH3+])CCNC[C@@]1(C)CCCO1 87255454 572410873 /nfs/dbraw/zinc/41/08/73/572410873.db2.gz OATNKCXNLBYRHT-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[NH2+]C[C@H](O)CN1CCC(C)(C)C1 87251959 572410899 /nfs/dbraw/zinc/41/08/99/572410899.db2.gz ZOWHZGCLLULRRI-VIFPVBQESA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@H](O)C[N@@H+]1CCC(C)(C)C1 87251959 572410900 /nfs/dbraw/zinc/41/09/00/572410900.db2.gz ZOWHZGCLLULRRI-VIFPVBQESA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@H](O)C[N@H+]1CCC(C)(C)C1 87251959 572410903 /nfs/dbraw/zinc/41/09/03/572410903.db2.gz ZOWHZGCLLULRRI-VIFPVBQESA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)(C[NH3+])NC[C@@]1(C)CCCO1 87251633 572410931 /nfs/dbraw/zinc/41/09/31/572410931.db2.gz UQWXMTVMOURFDB-SNVBAGLBSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@]1(C[NH2+]CCCN)CCCO1 87255718 572410983 /nfs/dbraw/zinc/41/09/83/572410983.db2.gz HUULKKYJDHUHIS-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO C[C@@]1(CNCCC[NH3+])CCCO1 87255718 572410984 /nfs/dbraw/zinc/41/09/84/572410984.db2.gz HUULKKYJDHUHIS-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO CNCCC[NH2+]C[C@@]1(C)CCCO1 87255440 572411159 /nfs/dbraw/zinc/41/11/59/572411159.db2.gz SITDKDOBSHTEJX-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@H]([NH3+])CNC[C@@]1(C)CCCO1 87255633 572411523 /nfs/dbraw/zinc/41/15/23/572411523.db2.gz QANPTWXBROLXGI-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]([NH3+])CNC[C@]1(C)CCCO1 87255629 572411550 /nfs/dbraw/zinc/41/15/50/572411550.db2.gz QANPTWXBROLXGI-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]([NH3+])CCNC[C@@]1(C)CCCO1 87255452 572411558 /nfs/dbraw/zinc/41/15/58/572411558.db2.gz OATNKCXNLBYRHT-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H](C[NH3+])NC[C@@]1(C)CCCO1 87251582 572411748 /nfs/dbraw/zinc/41/17/48/572411748.db2.gz ZQPICAZVVJECHJ-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@]1(CNC[C@H]2CC[NH2+]C2)CCCO1 87255898 572411753 /nfs/dbraw/zinc/41/17/53/572411753.db2.gz KRMPDYCPZSXFQJ-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO CC[C@H](C[NH3+])NC[C@@]1(C)CCCO1 87251846 572411790 /nfs/dbraw/zinc/41/17/90/572411790.db2.gz PJXDJXFYDOJTGB-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@@H](C[NH3+])NC[C@]1(C)CCCO1 87251841 572411924 /nfs/dbraw/zinc/41/19/24/572411924.db2.gz PJXDJXFYDOJTGB-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@]1(CNCC2([NH3+])CC2)CCCO1 87255444 572412060 /nfs/dbraw/zinc/41/20/60/572412060.db2.gz CNVXWKBKEFFPFK-SECBINFHSA-N 1 3 184.283 0.636 10 0 ACAEHO C[C@@]1(CNC[C@H]2CC[NH2+]C2)CCCO1 87255901 572412075 /nfs/dbraw/zinc/41/20/75/572412075.db2.gz KRMPDYCPZSXFQJ-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO CO[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 235029728 572412596 /nfs/dbraw/zinc/41/25/96/572412596.db2.gz TYFOZTPGBHYLFN-RGWUEKKESA-N 1 3 184.283 0.633 10 0 ACAEHO CO[C@H]1CC[C@@H](NC2CC([NH3+])C2)C1 235029728 572412600 /nfs/dbraw/zinc/41/26/00/572412600.db2.gz TYFOZTPGBHYLFN-RGWUEKKESA-N 1 3 184.283 0.633 10 0 ACAEHO CC1(C)CCN(CC[C@@H]([NH3+])CO)C1 87259852 572412994 /nfs/dbraw/zinc/41/29/94/572412994.db2.gz SHLYXBXJDJLABT-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CSC[C@@H](C)N[C@@H](C)C[NH3+] 235035314 572413752 /nfs/dbraw/zinc/41/37/52/572413752.db2.gz SZRSSGLHXKWPJX-NKWVEPMBSA-N 1 3 162.302 0.675 10 0 ACAEHO CCc1nc(CC[NH3+])c(C)[nH]1 44396718 572413949 /nfs/dbraw/zinc/41/39/49/572413949.db2.gz FJUVAKLSJMHXBT-UHFFFAOYSA-N 1 3 153.229 0.782 10 0 ACAEHO CCN1CCN(CCC[NH3+])[C@@H](C)C1 250339378 572414676 /nfs/dbraw/zinc/41/46/76/572414676.db2.gz PNTILKOUWILFMB-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CCN1CCN(CC[NH3+])C[C@H]1C(C)C 250336145 572414712 /nfs/dbraw/zinc/41/47/12/572414712.db2.gz PDBZOZFJZGUSQA-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CCN1CCCN([C@H](C)C[NH2+]C)CC1 250338889 572415958 /nfs/dbraw/zinc/41/59/58/572415958.db2.gz PNDWPUJHLPQRLY-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCN1C[C@H](CC[NH3+])O[C@H](C)C1 250235671 572418829 /nfs/dbraw/zinc/41/88/29/572418829.db2.gz GSQHLTNFGQUURL-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CCN(CC)CC(C)(C)NC(N)=[NH2+] 238237685 572419112 /nfs/dbraw/zinc/41/91/12/572419112.db2.gz HAWOVOCAVMLBLO-UHFFFAOYSA-N 1 3 186.303 0.590 10 0 ACAEHO CCN1C[C@H](C)O[C@@H](CC[NH3+])C1 250235677 572420162 /nfs/dbraw/zinc/42/01/62/572420162.db2.gz GSQHLTNFGQUURL-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO CN(C)CCN1CC[C@@H]([NH3+])[C@H]1C1CC1 250340442 572420333 /nfs/dbraw/zinc/42/03/33/572420333.db2.gz CAJWOXRLGMNDTQ-GHMZBOCLSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1CN(CC2(CC[NH3+])CC2)CCO1 83853259 572421525 /nfs/dbraw/zinc/42/15/25/572421525.db2.gz SROYZOGJXGRCAY-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H]1COCCN1CC1(CC[NH3+])CC1 83853330 572422328 /nfs/dbraw/zinc/42/23/28/572422328.db2.gz RAYKCUGGYLFING-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H]([NH3+])Cc1cncc(CN)c1 44463507 572422487 /nfs/dbraw/zinc/42/24/87/572422487.db2.gz KRFSVZGEHYHYIO-ZETCQYMHSA-N 1 3 165.240 0.430 10 0 ACAEHO C[C@@H]1COCCN1CC1(CC[NH3+])CC1 83853329 572423110 /nfs/dbraw/zinc/42/31/10/572423110.db2.gz RAYKCUGGYLFING-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CN(C)CCN1CC[C@H]([NH3+])[C@H]1C1CC1 250340450 572423124 /nfs/dbraw/zinc/42/31/24/572423124.db2.gz CAJWOXRLGMNDTQ-WDEREUQCSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H](CCCO)[NH2+][C@H]1CC[C@H](N)C1 87358844 572423686 /nfs/dbraw/zinc/42/36/86/572423686.db2.gz IBRRGMFAFPUYTI-UTLUCORTSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H]1CN(CC2(CC[NH3+])CC2)CCO1 83853260 572423759 /nfs/dbraw/zinc/42/37/59/572423759.db2.gz SROYZOGJXGRCAY-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H](CCCO)[NH2+]C1CCNCC1 87358524 572423825 /nfs/dbraw/zinc/42/38/25/572423825.db2.gz IPKYEZOJBGQTGJ-VIFPVBQESA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@@H](CCCO)NC1CC[NH2+]CC1 87358524 572423828 /nfs/dbraw/zinc/42/38/28/572423828.db2.gz IPKYEZOJBGQTGJ-VIFPVBQESA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@H]([NH3+])Cc1cccnc1CN 44463509 572423848 /nfs/dbraw/zinc/42/38/48/572423848.db2.gz LCBVRLRJBHCPTC-ZETCQYMHSA-N 1 3 165.240 0.430 10 0 ACAEHO C[C@H]([NH3+])Cc1ccnc(CN)c1 44463505 572423963 /nfs/dbraw/zinc/42/39/63/572423963.db2.gz XEEAKRILEDOORK-ZETCQYMHSA-N 1 3 165.240 0.430 10 0 ACAEHO C[C@H](CCCO)[NH2+][C@@H]1CC[C@H](N)C1 87358842 572424021 /nfs/dbraw/zinc/42/40/21/572424021.db2.gz IBRRGMFAFPUYTI-KXUCPTDWSA-N 1 3 186.299 0.617 10 0 ACAEHO CN1CCN(CC2(CC[NH3+])CC2)CC1 83853251 572424178 /nfs/dbraw/zinc/42/41/78/572424178.db2.gz NQIJTEZMEHFHNJ-UHFFFAOYSA-N 1 3 197.326 0.363 10 0 ACAEHO C[C@H](CCCO)[NH2+]C1CCNCC1 87358525 572425930 /nfs/dbraw/zinc/42/59/30/572425930.db2.gz IPKYEZOJBGQTGJ-SECBINFHSA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@H](CCCO)NC1CC[NH2+]CC1 87358525 572425935 /nfs/dbraw/zinc/42/59/35/572425935.db2.gz IPKYEZOJBGQTGJ-SECBINFHSA-N 1 3 186.299 0.489 10 0 ACAEHO CN1CCC[C@]2(CC[C@](C)(C[NH3+])O2)C1 686236060 572428176 /nfs/dbraw/zinc/42/81/76/572428176.db2.gz GPFJFXHOBISNNO-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO C1CN(CCOC2CC[NH2+]CC2)C1 308019957 572429143 /nfs/dbraw/zinc/42/91/43/572429143.db2.gz NAGLXGZBRBANHE-UHFFFAOYSA-N 1 3 184.283 0.461 10 0 ACAEHO CN1CCC[C@@]2(CC[C@](C)(C[NH3+])O2)C1 686236057 572429270 /nfs/dbraw/zinc/42/92/70/572429270.db2.gz GPFJFXHOBISNNO-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CN1CCC[C@]2(CC[C@@](C)(C[NH3+])O2)C1 686236061 572429484 /nfs/dbraw/zinc/42/94/84/572429484.db2.gz GPFJFXHOBISNNO-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CN1CCC[C@@]2(CC[C@@](C)(C[NH3+])O2)C1 686236062 572429850 /nfs/dbraw/zinc/42/98/50/572429850.db2.gz GPFJFXHOBISNNO-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO CCOC(CCNCC[NH3+])OCC 83823938 572430407 /nfs/dbraw/zinc/43/04/07/572430407.db2.gz WAIMTVHTPNZXHP-UHFFFAOYSA-N 1 3 190.287 0.324 10 0 ACAEHO CN1CCC[C@H](N(C)CC(C)(C)[NH3+])C1 53247495 572430984 /nfs/dbraw/zinc/43/09/84/572430984.db2.gz WXJSAJBVGJJPBK-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](C(N)=[NH2+])N(C)[C@@H]1CCCN(C)C1 53245540 572431038 /nfs/dbraw/zinc/43/10/38/572431038.db2.gz QZKAEMCCACAECO-RKDXNWHRSA-N 1 3 198.314 0.337 10 0 ACAEHO CC1([C@@](C)(C[NH3+])NCCCO)CC1 87364096 572431269 /nfs/dbraw/zinc/43/12/69/572431269.db2.gz UQHBZONKHQOCDZ-SNVBAGLBSA-N 1 3 186.299 0.476 10 0 ACAEHO COCCN[C@](C)(C[NH3+])C1(C)CC1 87363848 572431495 /nfs/dbraw/zinc/43/14/95/572431495.db2.gz BBDVLSHNWZVOLP-SNVBAGLBSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N(C)[C@@H]1CCCN(C)C1 53245539 572431677 /nfs/dbraw/zinc/43/16/77/572431677.db2.gz QZKAEMCCACAECO-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO COCCN[C@@](C)(C[NH3+])C1(C)CC1 87363850 572431699 /nfs/dbraw/zinc/43/16/99/572431699.db2.gz BBDVLSHNWZVOLP-JTQLQIEISA-N 1 3 186.299 0.740 10 0 ACAEHO CC1([C@@](C)(C[NH3+])NCCO)CC1 87363976 572432304 /nfs/dbraw/zinc/43/23/04/572432304.db2.gz QKHKXYCJSWHREE-SECBINFHSA-N 1 3 172.272 0.086 10 0 ACAEHO CN(C)CC[NH2+][C@](C)(CN)C1(C)CC1 87364017 572432562 /nfs/dbraw/zinc/43/25/62/572432562.db2.gz KRSFZKCPFCAZQZ-LLVKDONJSA-N 1 3 199.342 0.655 10 0 ACAEHO CN(C)CCN[C@](C)(C[NH3+])C1(C)CC1 87364017 572432564 /nfs/dbraw/zinc/43/25/64/572432564.db2.gz KRSFZKCPFCAZQZ-LLVKDONJSA-N 1 3 199.342 0.655 10 0 ACAEHO CC1([C@](C)(C[NH3+])NCCO)CC1 87363979 572432821 /nfs/dbraw/zinc/43/28/21/572432821.db2.gz QKHKXYCJSWHREE-VIFPVBQESA-N 1 3 172.272 0.086 10 0 ACAEHO CC1([C@](C)(C[NH3+])NCCCO)CC1 87364098 572433421 /nfs/dbraw/zinc/43/34/21/572433421.db2.gz UQHBZONKHQOCDZ-JTQLQIEISA-N 1 3 186.299 0.476 10 0 ACAEHO CO[C@@H]1C[NH2+][C@@H](CNCCC2CC2)C1 83895426 572433449 /nfs/dbraw/zinc/43/34/49/572433449.db2.gz QXAZXVVEZGNCNE-MNOVXSKESA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@@H]1CCC[C@H]1NCC1([NH3+])CC1 83837314 572433474 /nfs/dbraw/zinc/43/34/74/572433474.db2.gz XLCCLTYRUSUFAD-RKDXNWHRSA-N 1 3 184.283 0.635 10 0 ACAEHO CN(C)CC[NH2+][C@@](C)(CN)C1(C)CC1 87364019 572433484 /nfs/dbraw/zinc/43/34/84/572433484.db2.gz KRSFZKCPFCAZQZ-NSHDSACASA-N 1 3 199.342 0.655 10 0 ACAEHO CN(C)CCN[C@@](C)(C[NH3+])C1(C)CC1 87364019 572433486 /nfs/dbraw/zinc/43/34/86/572433486.db2.gz KRSFZKCPFCAZQZ-NSHDSACASA-N 1 3 199.342 0.655 10 0 ACAEHO [NH3+]C1(CNC[C@@H]2CCCCO2)CC1 83837218 572433612 /nfs/dbraw/zinc/43/36/12/572433612.db2.gz ZVXZPUMVHUYBLI-VIFPVBQESA-N 1 3 184.283 0.636 10 0 ACAEHO CCOCC[N@H+](CC)CC1(N)CC1 83837487 572433742 /nfs/dbraw/zinc/43/37/42/572433742.db2.gz RHIXGXHCVCJFAW-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CCOCC[N@@H+](CC)CC1(N)CC1 83837487 572433746 /nfs/dbraw/zinc/43/37/46/572433746.db2.gz RHIXGXHCVCJFAW-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1NCC1([NH3+])CC1 83837312 572433778 /nfs/dbraw/zinc/43/37/78/572433778.db2.gz XLCCLTYRUSUFAD-DTWKUNHWSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C1(CNC[C@H]2CCCO2)CC1 83836970 572433897 /nfs/dbraw/zinc/43/38/97/572433897.db2.gz VDFMYDJINSHZCZ-MRVPVSSYSA-N 1 3 170.256 0.246 10 0 ACAEHO [NH3+]C1(CNC[C@@H]2CCCO2)CC1 83836973 572433909 /nfs/dbraw/zinc/43/39/09/572433909.db2.gz VDFMYDJINSHZCZ-QMMMGPOBSA-N 1 3 170.256 0.246 10 0 ACAEHO CCC[C@H](N)C(O)[C@@H]([NH3+])CCC 238239034 572434120 /nfs/dbraw/zinc/43/41/20/572434120.db2.gz ZPXOBEGJKOXPKL-YUMQZZPRSA-N 1 3 174.288 0.602 10 0 ACAEHO [NH3+]CCN1CCN(CC2CCC2)CC1 83838098 572434282 /nfs/dbraw/zinc/43/42/82/572434282.db2.gz IRFIDDAYJJEBDX-UHFFFAOYSA-N 1 3 197.326 0.363 10 0 ACAEHO CCCN1CCN(CC2([NH3+])CC2)CC1 83836652 572434408 /nfs/dbraw/zinc/43/44/08/572434408.db2.gz KOUDMZFMMWGUBV-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO [NH3+]C1(CNC[C@H]2CCCCO2)CC1 83837219 572434453 /nfs/dbraw/zinc/43/44/53/572434453.db2.gz ZVXZPUMVHUYBLI-SECBINFHSA-N 1 3 184.283 0.636 10 0 ACAEHO NC1(C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 83837260 572434636 /nfs/dbraw/zinc/43/46/36/572434636.db2.gz VFPLKHSCOLYJCG-SECBINFHSA-N 1 3 195.310 0.304 10 0 ACAEHO [NH3+]C1(CN[C@@H]2CCN(C3CC3)C2)CC1 83837260 572434640 /nfs/dbraw/zinc/43/46/40/572434640.db2.gz VFPLKHSCOLYJCG-SECBINFHSA-N 1 3 195.310 0.304 10 0 ACAEHO COC[C@@H]1CCN(CC2([NH3+])CC2)C1 83837583 572434662 /nfs/dbraw/zinc/43/46/62/572434662.db2.gz UMDZSOWBRVNJFP-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO COC[C@H]1CCN(CC2([NH3+])CC2)C1 83837585 572434769 /nfs/dbraw/zinc/43/47/69/572434769.db2.gz UMDZSOWBRVNJFP-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO CO[C@H]1C[NH2+][C@H](CNCCC2CC2)C1 83895427 572434796 /nfs/dbraw/zinc/43/47/96/572434796.db2.gz QXAZXVVEZGNCNE-WDEREUQCSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H]1CCC[C@H]1NCC1([NH3+])CC1 83837318 572435069 /nfs/dbraw/zinc/43/50/69/572435069.db2.gz XLCCLTYRUSUFAD-BDAKNGLRSA-N 1 3 184.283 0.635 10 0 ACAEHO FCCCNC[C@H]1CCC[NH2+]C1 308026985 572435102 /nfs/dbraw/zinc/43/51/02/572435102.db2.gz XMRRAZZHMOBKRC-VIFPVBQESA-N 1 3 174.263 0.935 10 0 ACAEHO FCCC[NH2+]C[C@H]1CCCNC1 308026985 572435099 /nfs/dbraw/zinc/43/50/99/572435099.db2.gz XMRRAZZHMOBKRC-VIFPVBQESA-N 1 3 174.263 0.935 10 0 ACAEHO CO[C@H]1C[NH2+][C@@H](CNCCC2CC2)C1 83895425 572435361 /nfs/dbraw/zinc/43/53/61/572435361.db2.gz QXAZXVVEZGNCNE-GHMZBOCLSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@@H]1C[NH2+][C@H](CNCCC2CC2)C1 83895428 572436553 /nfs/dbraw/zinc/43/65/53/572436553.db2.gz QXAZXVVEZGNCNE-QWRGUYRKSA-N 1 3 198.310 0.753 10 0 ACAEHO COCC[C@@H]([NH3+])CNCCCF 308026273 572436001 /nfs/dbraw/zinc/43/60/01/572436001.db2.gz XIAVIPSHBMLFHK-MRVPVSSYSA-N 1 3 178.251 0.299 10 0 ACAEHO CCO[C@@H]1CCC[N@H+](CC2(N)CC2)C1 83837152 572436011 /nfs/dbraw/zinc/43/60/11/572436011.db2.gz QBRGMDXSMLOIID-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@@H]1CCC[N@@H+](CC2(N)CC2)C1 83837152 572436017 /nfs/dbraw/zinc/43/60/17/572436017.db2.gz QBRGMDXSMLOIID-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CN(CCN1CCCC1)CC1([NH3+])CC1 83837447 572436309 /nfs/dbraw/zinc/43/63/09/572436309.db2.gz DPOUKPWTMCDCSJ-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO CCCN(CCN(C)C)CC1([NH3+])CC1 83837282 572436561 /nfs/dbraw/zinc/43/65/61/572436561.db2.gz VDTACXXFUAHRSJ-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CO[C@H]1CCC[C@@H]1NCC1([NH3+])CC1 83837313 572436697 /nfs/dbraw/zinc/43/66/97/572436697.db2.gz XLCCLTYRUSUFAD-IUCAKERBSA-N 1 3 184.283 0.635 10 0 ACAEHO CCOC1CC[NH+](CC2(N)CC2)CC1 83836980 572436777 /nfs/dbraw/zinc/43/67/77/572436777.db2.gz CQWQBUYAUHIYJU-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@H]1CCC[N@H+](CC2(N)CC2)C1 83837154 572436993 /nfs/dbraw/zinc/43/69/93/572436993.db2.gz QBRGMDXSMLOIID-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@H]1CCC[N@@H+](CC2(N)CC2)C1 83837154 572437000 /nfs/dbraw/zinc/43/70/00/572437000.db2.gz QBRGMDXSMLOIID-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO NC1(C[NH2+][C@H]2CCN(C3CC3)C2)CC1 83837258 572437059 /nfs/dbraw/zinc/43/70/59/572437059.db2.gz VFPLKHSCOLYJCG-VIFPVBQESA-N 1 3 195.310 0.304 10 0 ACAEHO [NH3+]C1(CN[C@H]2CCN(C3CC3)C2)CC1 83837258 572437064 /nfs/dbraw/zinc/43/70/64/572437064.db2.gz VFPLKHSCOLYJCG-VIFPVBQESA-N 1 3 195.310 0.304 10 0 ACAEHO [NH3+]C[C@H](CC1CC1)N1CCC[C@H]1CO 74236922 572437626 /nfs/dbraw/zinc/43/76/26/572437626.db2.gz YRBGVGNZIKRYIP-QWRGUYRKSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]C1(CCN2CCCC[C@H]2CO)CC1 74237015 572438292 /nfs/dbraw/zinc/43/82/92/572438292.db2.gz FMGCRHZYKUUMNK-JTQLQIEISA-N 1 3 198.310 0.715 10 0 ACAEHO CN1CCN2CCC[C@@H]2[C@@]12CC[NH2+]C2 76636680 572438613 /nfs/dbraw/zinc/43/86/13/572438613.db2.gz ZTGLHVGTOYKNBI-MNOVXSKESA-N 1 3 195.310 0.128 10 0 ACAEHO C[C@H](C[NH+](C)C)OC1(C)CNC1 713923289 572438786 /nfs/dbraw/zinc/43/87/86/572438786.db2.gz BDVHJQHCYQAVIU-MRVPVSSYSA-N 1 3 172.272 0.315 10 0 ACAEHO COC1CC(N[C@@H]2CC[C@H]([NH3+])C2)C1 234736950 572438887 /nfs/dbraw/zinc/43/88/87/572438887.db2.gz KCUFEEXUKUDPAL-AFWXGSBKSA-N 1 3 184.283 0.633 10 0 ACAEHO CNCCC[NH2+]CC[C@@H]1CCCO1 44510946 572441179 /nfs/dbraw/zinc/44/11/79/572441179.db2.gz CEPLYIKQEVSXKD-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO CN1CC[C@@H]([NH3+])C[C@@H]1C1CCOCC1 74236939 572439074 /nfs/dbraw/zinc/43/90/74/572439074.db2.gz FZFKYMFOTGKNMO-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)C[C@@H]1C1CCOCC1 74236939 572439077 /nfs/dbraw/zinc/43/90/77/572439077.db2.gz FZFKYMFOTGKNMO-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+]1CC[C@@H](N)C[C@@H]1C1CCOCC1 74236939 572439081 /nfs/dbraw/zinc/43/90/81/572439081.db2.gz FZFKYMFOTGKNMO-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO CN[C@H](CO)c1ccc(C[NH3+])c(F)c1 238801264 572439118 /nfs/dbraw/zinc/43/91/18/572439118.db2.gz POLIXGFRJWHQFL-SNVBAGLBSA-N 1 3 198.241 0.537 10 0 ACAEHO [NH3+]C1(CCN2CCC(CO)CC2)CC1 74237013 572439285 /nfs/dbraw/zinc/43/92/85/572439285.db2.gz RCKSLSRQROEUDP-UHFFFAOYSA-N 1 3 198.310 0.572 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@@H]1C1CCOCC1 74236937 572439550 /nfs/dbraw/zinc/43/95/50/572439550.db2.gz FZFKYMFOTGKNMO-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1C1CCOCC1 74236937 572439555 /nfs/dbraw/zinc/43/95/55/572439555.db2.gz FZFKYMFOTGKNMO-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@@H]1C1CCOCC1 74236937 572439562 /nfs/dbraw/zinc/43/95/62/572439562.db2.gz FZFKYMFOTGKNMO-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO [NH3+]C[C@H](CC1CC1)N1CCC[C@@H]1CO 74236921 572439846 /nfs/dbraw/zinc/43/98/46/572439846.db2.gz YRBGVGNZIKRYIP-MNOVXSKESA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]C1(CCN2CCCC[C@@H]2CO)CC1 74237020 572440229 /nfs/dbraw/zinc/44/02/29/572440229.db2.gz FMGCRHZYKUUMNK-SNVBAGLBSA-N 1 3 198.310 0.715 10 0 ACAEHO C[NH2+]CCCNCC[C@@H]1CCCO1 44510946 572441181 /nfs/dbraw/zinc/44/11/81/572441181.db2.gz CEPLYIKQEVSXKD-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@@H](C[NH+](C)C)OC1(C)CNC1 713923290 572440526 /nfs/dbraw/zinc/44/05/26/572440526.db2.gz BDVHJQHCYQAVIU-QMMMGPOBSA-N 1 3 172.272 0.315 10 0 ACAEHO CN(C)CC[NH2+]C[C@@H]1CCCN(C)C1 44537307 572440819 /nfs/dbraw/zinc/44/08/19/572440819.db2.gz SWHNMVWJFXUURY-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO CN(C)CCNC[C@@H]1CCC[N@H+](C)C1 44537307 572440824 /nfs/dbraw/zinc/44/08/24/572440824.db2.gz SWHNMVWJFXUURY-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO CN(C)CCNC[C@@H]1CCC[N@@H+](C)C1 44537307 572440830 /nfs/dbraw/zinc/44/08/30/572440830.db2.gz SWHNMVWJFXUURY-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO CN1CC[C@@H](N)[C@@H]([NH+]2CCCCC2)C1 250553584 572441695 /nfs/dbraw/zinc/44/16/95/572441695.db2.gz ARHASKAMMCZAOY-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]([NH3+])[C@H](O)c1cc(N)c(N(C)C)[nH]1 74237534 572441726 /nfs/dbraw/zinc/44/17/26/572441726.db2.gz KATOXDDOXZUEOC-XNCJUZBTSA-N 1 3 198.270 0.044 10 0 ACAEHO C[C@@H]([NH3+])[C@H](O)c1cc(N)c(N(C)C)[nH]1 74237535 572441774 /nfs/dbraw/zinc/44/17/74/572441774.db2.gz KATOXDDOXZUEOC-XRGYYRRGSA-N 1 3 198.270 0.044 10 0 ACAEHO CNCCC[NH2+]CCC1CC1 83895513 572441782 /nfs/dbraw/zinc/44/17/82/572441782.db2.gz VTOCMZPEJGOZDU-UHFFFAOYSA-N 1 3 156.273 0.986 10 0 ACAEHO C[C@@H](CN(C)C)N1C[C@@H]2CC[C@H](C1)[NH2+]2 713924919 572442013 /nfs/dbraw/zinc/44/20/13/572442013.db2.gz IMQMMEPKUCXMSU-GARJFASQSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@H]([NH3+])[C@@H](O)c1cc(N)c(N(C)C)[nH]1 74237536 572442736 /nfs/dbraw/zinc/44/27/36/572442736.db2.gz KATOXDDOXZUEOC-YLWLKBPMSA-N 1 3 198.270 0.044 10 0 ACAEHO CN(C)CCc1nc(CCC[NH3+])no1 74237554 572442191 /nfs/dbraw/zinc/44/21/91/572442191.db2.gz HLMOWHPGGDLHRE-UHFFFAOYSA-N 1 3 198.270 0.065 10 0 ACAEHO CN1CC[C@H](N)[C@@H]([NH+]2CCCCC2)C1 250553586 572442462 /nfs/dbraw/zinc/44/24/62/572442462.db2.gz ARHASKAMMCZAOY-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[NH2+][C@H](C)CCNC 61275136 572442693 /nfs/dbraw/zinc/44/26/93/572442693.db2.gz RHCPVXMOFXMBFO-SSDOTTSWSA-N 1 3 130.235 0.594 10 0 ACAEHO CC[N@H+]1C[C@H](C)NC[C@@H](C)C1 250344092 572444809 /nfs/dbraw/zinc/44/48/09/572444809.db2.gz QDXQKFFRSWZMMC-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[NH2+]C[C@@H](C)CNC 61268544 572443225 /nfs/dbraw/zinc/44/32/25/572443225.db2.gz NEJMFHQKVCUTPQ-ZETCQYMHSA-N 1 3 130.235 0.451 10 0 ACAEHO CCNC[C@@H](C)C[NH2+]C 61268544 572443231 /nfs/dbraw/zinc/44/32/31/572443231.db2.gz NEJMFHQKVCUTPQ-ZETCQYMHSA-N 1 3 130.235 0.451 10 0 ACAEHO COCCN(C)CC1(CC(N)=[NH2+])CC1 83856055 572443568 /nfs/dbraw/zinc/44/35/68/572443568.db2.gz BAGVAMBERZPIKF-UHFFFAOYSA-N 1 3 199.298 0.671 10 0 ACAEHO CC[NH2+]C[C@@H](C)CNCCOC 61268659 572443719 /nfs/dbraw/zinc/44/37/19/572443719.db2.gz ODMVVIKCBWUFLG-SECBINFHSA-N 1 3 174.288 0.468 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](O)c1cc(N)c(N(C)C)[nH]1 74237540 572444091 /nfs/dbraw/zinc/44/40/91/572444091.db2.gz KATOXDDOXZUEOC-SVGQVSJJSA-N 1 3 198.270 0.044 10 0 ACAEHO CC[NH2+]C[C@H](C)CNC 61268545 572444541 /nfs/dbraw/zinc/44/45/41/572444541.db2.gz NEJMFHQKVCUTPQ-SSDOTTSWSA-N 1 3 130.235 0.451 10 0 ACAEHO CCNC[C@H](C)C[NH2+]C 61268545 572444543 /nfs/dbraw/zinc/44/45/43/572444543.db2.gz NEJMFHQKVCUTPQ-SSDOTTSWSA-N 1 3 130.235 0.451 10 0 ACAEHO CC[NH2+][C@@H](C)CCNC 61275133 572444677 /nfs/dbraw/zinc/44/46/77/572444677.db2.gz RHCPVXMOFXMBFO-ZETCQYMHSA-N 1 3 130.235 0.594 10 0 ACAEHO CC[N@@H+]1C[C@H](C)NC[C@@H](C)C1 250344092 572444814 /nfs/dbraw/zinc/44/48/14/572444814.db2.gz QDXQKFFRSWZMMC-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1C[C@H](C)[NH2+]C[C@@H](C)C1 250344092 572444821 /nfs/dbraw/zinc/44/48/21/572444821.db2.gz QDXQKFFRSWZMMC-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@@H]([NH3+])[C@@]1(N(C)C)CCCN(C)C1 74214372 572444877 /nfs/dbraw/zinc/44/48/77/572444877.db2.gz XKDYCVRASHDGOB-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CCNCC(C)C[NH2+]CC 61268548 572445048 /nfs/dbraw/zinc/44/50/48/572445048.db2.gz WQDLZOOMLSVPHQ-UHFFFAOYSA-N 1 3 144.262 0.842 10 0 ACAEHO C[C@H](CN(C)C)N1C[C@@H]2CC[C@H](C1)[NH2+]2 713924922 572445169 /nfs/dbraw/zinc/44/51/69/572445169.db2.gz IMQMMEPKUCXMSU-MXWKQRLJSA-N 1 3 197.326 0.373 10 0 ACAEHO C[NH2+][C@@H](C)CNCCC1CC1 83895376 572445622 /nfs/dbraw/zinc/44/56/22/572445622.db2.gz OMXGSOMEFIEMRQ-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@H]([NH3+])[C@@]1(N(C)C)CCCN(C)C1 74214371 572445742 /nfs/dbraw/zinc/44/57/42/572445742.db2.gz XKDYCVRASHDGOB-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[NH2+][C@H](C)CNCCC1CC1 83895377 572445768 /nfs/dbraw/zinc/44/57/68/572445768.db2.gz OMXGSOMEFIEMRQ-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@H]([NH3+])[C@]1(N(C)C)CCCN(C)C1 74214370 572445848 /nfs/dbraw/zinc/44/58/48/572445848.db2.gz XKDYCVRASHDGOB-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CN(C)C)N(C)C[C@H]1CC[NH2+]C1 713926192 572446342 /nfs/dbraw/zinc/44/63/42/572446342.db2.gz PHBPLEZXDNBHND-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO C[NH2+]C(C)(C)CNC(C)C 61319636 572446445 /nfs/dbraw/zinc/44/64/45/572446445.db2.gz KZKSCPSHVYFCSH-UHFFFAOYSA-N 1 3 144.262 0.982 10 0 ACAEHO CS[C@@H](C)CN[C@@H](C)C[NH3+] 235047016 572446785 /nfs/dbraw/zinc/44/67/85/572446785.db2.gz MGUFWHGUFVRWEJ-BQBZGAKWSA-N 1 3 162.302 0.675 10 0 ACAEHO CC[C@H]([NH3+])[C@]1(N(C)C)CCCN(C)C1 74214368 572446883 /nfs/dbraw/zinc/44/68/83/572446883.db2.gz XKDYCVRASHDGOB-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)CN[C@@H](C)C1 250344094 572447295 /nfs/dbraw/zinc/44/72/95/572447295.db2.gz QDXQKFFRSWZMMC-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@H+]1C[C@@H](C)CN[C@@H](C)C1 250344094 572447300 /nfs/dbraw/zinc/44/73/00/572447300.db2.gz QDXQKFFRSWZMMC-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1C[C@@H](C)C[NH2+][C@@H](C)C1 250344094 572447305 /nfs/dbraw/zinc/44/73/05/572447305.db2.gz QDXQKFFRSWZMMC-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO Cc1nn[nH]c1[C@@H](N)CCC[NH+](C)C 74239146 572447341 /nfs/dbraw/zinc/44/73/41/572447341.db2.gz GAFJQNMOWALVCN-QMMMGPOBSA-N 1 3 197.286 0.455 10 0 ACAEHO CN1CCN(CCC2(C[NH3+])CC2)CC1 74238765 572447768 /nfs/dbraw/zinc/44/77/68/572447768.db2.gz SRPSJZIYYMRPPI-UHFFFAOYSA-N 1 3 197.326 0.363 10 0 ACAEHO CCCNCC(C)(C)[NH2+]C 61319634 572449407 /nfs/dbraw/zinc/44/94/07/572449407.db2.gz QOVPHOIHAUDHCC-UHFFFAOYSA-N 1 3 144.262 0.984 10 0 ACAEHO C[C@H](CN)C[NH2+]CCC1CC1 83895381 572447879 /nfs/dbraw/zinc/44/78/79/572447879.db2.gz UZHLIIWZCKIEDY-MRVPVSSYSA-N 1 3 156.273 0.971 10 0 ACAEHO CCN(CC)CCN(C)C(N)=[NH2+] 238241711 572447900 /nfs/dbraw/zinc/44/79/00/572447900.db2.gz HZMKEXZJBBVURN-UHFFFAOYSA-N 1 3 172.276 0.153 10 0 ACAEHO COC1CC(N[C@H]2CCC[NH2+]CC2)C1 234740040 572448580 /nfs/dbraw/zinc/44/85/80/572448580.db2.gz MEFHLJCQTINZKZ-WHXUTIOJSA-N 1 3 198.310 0.896 10 0 ACAEHO COC1CC([NH2+][C@H]2CCCNCC2)C1 234740040 572448582 /nfs/dbraw/zinc/44/85/82/572448582.db2.gz MEFHLJCQTINZKZ-WHXUTIOJSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H](CN(C)C)N(C)C[C@H]1CC[NH2+]C1 713926190 572449081 /nfs/dbraw/zinc/44/90/81/572449081.db2.gz PHBPLEZXDNBHND-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@H](CN(C)C)N(C)C[C@@H]1CC[NH2+]C1 713926189 572449147 /nfs/dbraw/zinc/44/91/47/572449147.db2.gz PHBPLEZXDNBHND-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H](CN(C)C)N(C)C[C@@H]1CC[NH2+]C1 713926193 572449304 /nfs/dbraw/zinc/44/93/04/572449304.db2.gz PHBPLEZXDNBHND-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCC1CC1 83895380 572449980 /nfs/dbraw/zinc/44/99/80/572449980.db2.gz UZHLIIWZCKIEDY-QMMMGPOBSA-N 1 3 156.273 0.971 10 0 ACAEHO CC[N@H+](C)C[C@@H](N)C1CC1 68893789 572450211 /nfs/dbraw/zinc/45/02/11/572450211.db2.gz DFQISUYWVGJSOS-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+](C)C[C@@H](N)C1CC1 68893789 572450212 /nfs/dbraw/zinc/45/02/12/572450212.db2.gz DFQISUYWVGJSOS-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+](C)C[C@H](N)C1CC1 68893788 572450655 /nfs/dbraw/zinc/45/06/55/572450655.db2.gz DFQISUYWVGJSOS-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+](C)C[C@H](N)C1CC1 68893788 572450657 /nfs/dbraw/zinc/45/06/57/572450657.db2.gz DFQISUYWVGJSOS-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH+](C)[C@](C)(CN)CCc1cc[nH]n1 74241073 572453247 /nfs/dbraw/zinc/45/32/47/572453247.db2.gz XFGMTTIOJAKEFZ-JTQLQIEISA-N 1 3 196.298 0.621 10 0 ACAEHO Cn1ccnc1[C@@H](N)CCC[NH+](C)C 74241156 572451424 /nfs/dbraw/zinc/45/14/24/572451424.db2.gz IGFVHZSIROOQQQ-VIFPVBQESA-N 1 3 196.298 0.762 10 0 ACAEHO Cn1ccnc1[C@H](N)CCC[NH+](C)C 74241153 572451432 /nfs/dbraw/zinc/45/14/32/572451432.db2.gz IGFVHZSIROOQQQ-SECBINFHSA-N 1 3 196.298 0.762 10 0 ACAEHO C[N@@H+]1CC[C@@H](O)C[C@@]2(CCCNC2)C1 250553675 572451558 /nfs/dbraw/zinc/45/15/58/572451558.db2.gz ASRJAZFCDWJQPG-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[N@H+]1CC[C@@H](O)C[C@@]2(CCCNC2)C1 250553675 572451565 /nfs/dbraw/zinc/45/15/65/572451565.db2.gz ASRJAZFCDWJQPG-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CC[C@H](CO)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 90414510 572451711 /nfs/dbraw/zinc/45/17/11/572451711.db2.gz WVUBLOONEYFHJB-NFLHVTIKSA-N 1 3 198.310 0.630 10 0 ACAEHO C[N@@H+]1CC[C@H](O)C[C@@]2(CCCNC2)C1 250553678 572452038 /nfs/dbraw/zinc/45/20/38/572452038.db2.gz ASRJAZFCDWJQPG-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[N@H+]1CC[C@H](O)C[C@@]2(CCCNC2)C1 250553678 572452043 /nfs/dbraw/zinc/45/20/43/572452043.db2.gz ASRJAZFCDWJQPG-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](C[NH3+])N1CCC[C@@H]1CCO 308031129 572452071 /nfs/dbraw/zinc/45/20/71/572452071.db2.gz ZXMMUPJARPLSJU-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO Cn1cnc([C@@H](N)CCC[NH+](C)C)c1 74241167 572452072 /nfs/dbraw/zinc/45/20/72/572452072.db2.gz JLXAOFGKMFTJAI-VIFPVBQESA-N 1 3 196.298 0.762 10 0 ACAEHO C[NH+](C)[C@@](C)(CN)CCc1cc[nH]n1 74241072 572452465 /nfs/dbraw/zinc/45/24/65/572452465.db2.gz XFGMTTIOJAKEFZ-SNVBAGLBSA-N 1 3 196.298 0.621 10 0 ACAEHO Cn1cnc([C@H](N)CCC[NH+](C)C)c1 74241165 572452506 /nfs/dbraw/zinc/45/25/06/572452506.db2.gz JLXAOFGKMFTJAI-SECBINFHSA-N 1 3 196.298 0.762 10 0 ACAEHO C[C@H](C[NH3+])N1CCC[C@H]1CCO 308031127 572453453 /nfs/dbraw/zinc/45/34/53/572453453.db2.gz ZXMMUPJARPLSJU-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(C)C[C@@H]1CCC[N@@H+]1C(C)(C)CN 61643048 572454511 /nfs/dbraw/zinc/45/45/11/572454511.db2.gz LVTRYAXFRSWODN-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)C[C@@H]1CCC[N@H+]1C(C)(C)CN 61643048 572454514 /nfs/dbraw/zinc/45/45/14/572454514.db2.gz LVTRYAXFRSWODN-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](C[NH3+])N1CCC[C@@H]1CCO 308031132 572455069 /nfs/dbraw/zinc/45/50/69/572455069.db2.gz ZXMMUPJARPLSJU-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](C[NH3+])N1CCC[C@H]1CCO 308031131 572455123 /nfs/dbraw/zinc/45/51/23/572455123.db2.gz ZXMMUPJARPLSJU-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(CC1CC1)C[C@@H](O)C[NH2+]C 68946606 572456001 /nfs/dbraw/zinc/45/60/01/572456001.db2.gz BPXOEPUUHZNSKX-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@@](C)(CO)NCC(C)(C)[NH3+] 308032571 572456444 /nfs/dbraw/zinc/45/64/44/572456444.db2.gz JJQZUYSJMVICOD-VIFPVBQESA-N 1 3 174.288 0.474 10 0 ACAEHO [NH3+]CCN1CCN(CCC2CC2)CC1 83926186 572456998 /nfs/dbraw/zinc/45/69/98/572456998.db2.gz UUTBNTWWVHWVLE-UHFFFAOYSA-N 1 3 197.326 0.363 10 0 ACAEHO [NH3+]C[C@H]1CC[C@@H](CNCCF)O1 308027859 572457095 /nfs/dbraw/zinc/45/70/95/572457095.db2.gz YASRAECJWJFISV-SFYZADRCSA-N 1 3 176.235 0.052 10 0 ACAEHO CCC(C)(C)NCC[NH2+]C 53387847 572457126 /nfs/dbraw/zinc/45/71/26/572457126.db2.gz DZNPVCMUEADUET-UHFFFAOYSA-N 1 3 144.262 0.984 10 0 ACAEHO [NH3+]C[C@H]1CC[C@H](CNCCF)O1 308027857 572457374 /nfs/dbraw/zinc/45/73/74/572457374.db2.gz YASRAECJWJFISV-HTQZYQBOSA-N 1 3 176.235 0.052 10 0 ACAEHO CCC(CC)NCC[NH2+]C 53387762 572457761 /nfs/dbraw/zinc/45/77/61/572457761.db2.gz SOMVZZWBMCNHOX-UHFFFAOYSA-N 1 3 144.262 0.984 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@@H](CNCCF)O1 308027860 572457732 /nfs/dbraw/zinc/45/77/32/572457732.db2.gz YASRAECJWJFISV-YUMQZZPRSA-N 1 3 176.235 0.052 10 0 ACAEHO C[NH+](C)CCC[C@H](N)c1cnncn1 74243426 572460787 /nfs/dbraw/zinc/46/07/87/572460787.db2.gz GKPFTWBSMHLYEP-QMMMGPOBSA-N 1 3 195.270 0.213 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@H](CNCCF)O1 308027858 572457903 /nfs/dbraw/zinc/45/79/03/572457903.db2.gz YASRAECJWJFISV-JGVFFNPUSA-N 1 3 176.235 0.052 10 0 ACAEHO CC[C@](C)(CO)NCC(C)(C)[NH3+] 308032564 572458711 /nfs/dbraw/zinc/45/87/11/572458711.db2.gz JJQZUYSJMVICOD-SECBINFHSA-N 1 3 174.288 0.474 10 0 ACAEHO CC[N@H+](CCCN)C1CCOCC1 68955223 572459225 /nfs/dbraw/zinc/45/92/25/572459225.db2.gz BGILYSHNTQYVJX-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CC[N@@H+](CCCN)C1CCOCC1 68955223 572459229 /nfs/dbraw/zinc/45/92/29/572459229.db2.gz BGILYSHNTQYVJX-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CCN(CCC[NH3+])C1CCOCC1 68955223 572459234 /nfs/dbraw/zinc/45/92/34/572459234.db2.gz BGILYSHNTQYVJX-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CSC[C@H](C)N[C@H](C)C[NH3+] 235064726 572460237 /nfs/dbraw/zinc/46/02/37/572460237.db2.gz SZRSSGLHXKWPJX-RQJHMYQMSA-N 1 3 162.302 0.675 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCCOCC1 61919011 572465378 /nfs/dbraw/zinc/46/53/78/572465378.db2.gz YFRQAYNAJDEVIA-QMMMGPOBSA-N 1 3 185.271 0.423 10 0 ACAEHO C[NH+](C)CCC[C@@H](N)c1cnncn1 74243428 572461656 /nfs/dbraw/zinc/46/16/56/572461656.db2.gz GKPFTWBSMHLYEP-MRVPVSSYSA-N 1 3 195.270 0.213 10 0 ACAEHO CSC[C@H](C)N[C@@H](C)C[NH3+] 235063407 572461745 /nfs/dbraw/zinc/46/17/45/572461745.db2.gz SZRSSGLHXKWPJX-BQBZGAKWSA-N 1 3 162.302 0.675 10 0 ACAEHO CCN(CC)[C@@H](C)[C@@H](C)NC(N)=[NH2+] 238255725 572462624 /nfs/dbraw/zinc/46/26/24/572462624.db2.gz DTARVVXHSDRBQB-SFYZADRCSA-N 1 3 186.303 0.588 10 0 ACAEHO CCC[C@@H](C[NH3+])N1CCC[C@H]1CO 207450632 572462752 /nfs/dbraw/zinc/46/27/52/572462752.db2.gz ORRYHCSACJTFCP-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CSCCN1CC[C@@H](C[NH3+])C1 69012180 572462871 /nfs/dbraw/zinc/46/28/71/572462871.db2.gz QRHMHJSZLXXRPZ-QMMMGPOBSA-N 1 3 174.313 0.630 10 0 ACAEHO C[NH2+]C[C@@H](O)c1[nH]ccc1CN(C)C 74239249 572463325 /nfs/dbraw/zinc/46/33/25/572463325.db2.gz ZUPRJTAZNHLYQB-SECBINFHSA-N 1 3 197.282 0.329 10 0 ACAEHO Cc1cc(CN(C)C)[nH]c1[C@H](O)C[NH3+] 74239282 572463462 /nfs/dbraw/zinc/46/34/62/572463462.db2.gz QVPIKRQWNSYJGF-SECBINFHSA-N 1 3 197.282 0.377 10 0 ACAEHO CSCCN1CC[C@H](C[NH3+])C1 69012179 572463910 /nfs/dbraw/zinc/46/39/10/572463910.db2.gz QRHMHJSZLXXRPZ-MRVPVSSYSA-N 1 3 174.313 0.630 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCNCC2)CCCO1 61918611 572463933 /nfs/dbraw/zinc/46/39/33/572463933.db2.gz IIPHUVQKGZCYLW-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCNCC2)CCCO1 61918611 572463938 /nfs/dbraw/zinc/46/39/38/572463938.db2.gz IIPHUVQKGZCYLW-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO Cc1cc(CN(C)C)[nH]c1[C@@H](O)C[NH3+] 74239284 572464148 /nfs/dbraw/zinc/46/41/48/572464148.db2.gz QVPIKRQWNSYJGF-VIFPVBQESA-N 1 3 197.282 0.377 10 0 ACAEHO CCN1CC[C@@H](C)[N@H+](C)C[C@H]1CNC 250346964 572464179 /nfs/dbraw/zinc/46/41/79/572464179.db2.gz QPVBFRARVXAFSD-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1CC[C@@H](C)[N@@H+](C)C[C@H]1CNC 250346964 572464180 /nfs/dbraw/zinc/46/41/80/572464180.db2.gz QPVBFRARVXAFSD-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CN(C)CCc1ncc(CCC[NH3+])o1 74239305 572464350 /nfs/dbraw/zinc/46/43/50/572464350.db2.gz WWBRPOPMFLDHIE-UHFFFAOYSA-N 1 3 197.282 0.670 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCCOCC1 61919012 572464547 /nfs/dbraw/zinc/46/45/47/572464547.db2.gz YFRQAYNAJDEVIA-MRVPVSSYSA-N 1 3 185.271 0.423 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCNCC2)CCCO1 61918612 572464635 /nfs/dbraw/zinc/46/46/35/572464635.db2.gz IIPHUVQKGZCYLW-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1C[N@H+](C2CCNCC2)CCCO1 61918612 572464638 /nfs/dbraw/zinc/46/46/38/572464638.db2.gz IIPHUVQKGZCYLW-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO CC[C@@H](CN)[N@@H+]1CCCOCC1 61914910 572464834 /nfs/dbraw/zinc/46/48/34/572464834.db2.gz IPAAOQYDJCNBOA-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC[C@@H](CN)[N@H+]1CCCOCC1 61914910 572464838 /nfs/dbraw/zinc/46/48/38/572464838.db2.gz IPAAOQYDJCNBOA-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@H]1CN([C@@H](C)CC(N)=[NH2+])CCCO1 61918987 572465202 /nfs/dbraw/zinc/46/52/02/572465202.db2.gz DZGAJMGHNWOLAW-IUCAKERBSA-N 1 3 199.298 0.812 10 0 ACAEHO CCCn1ccnc1NCC[NH3+] 69031110 572465422 /nfs/dbraw/zinc/46/54/22/572465422.db2.gz NBXVFSSAKVACNH-UHFFFAOYSA-N 1 3 168.244 0.664 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCCO[C@H](C)C1 61918986 572465939 /nfs/dbraw/zinc/46/59/39/572465939.db2.gz DZGAJMGHNWOLAW-DTWKUNHWSA-N 1 3 199.298 0.812 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2N)CCCO1 61917129 572465987 /nfs/dbraw/zinc/46/59/87/572465987.db2.gz DQINOTGIGOPFNQ-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2N)CCCO1 61917129 572465989 /nfs/dbraw/zinc/46/59/89/572465989.db2.gz DQINOTGIGOPFNQ-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]([NH3+])CCN1CCCOCC1 61917496 572466051 /nfs/dbraw/zinc/46/60/51/572466051.db2.gz XROXSZJWCKUTTF-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC[C@H](CN)[N@@H+]1CCCOCC1 61914911 572466277 /nfs/dbraw/zinc/46/62/77/572466277.db2.gz IPAAOQYDJCNBOA-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CC[C@H](CN)[N@H+]1CCCOCC1 61914911 572466280 /nfs/dbraw/zinc/46/62/80/572466280.db2.gz IPAAOQYDJCNBOA-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CN(C/C=C/C[NH3+])CCOCC1CC1 87399733 572467139 /nfs/dbraw/zinc/46/71/39/572467139.db2.gz XDFLHWIQTCAZEO-NSCUHMNNSA-N 1 3 198.310 0.860 10 0 ACAEHO CCCC[N@H+](C)[C@]1(CN)CCN(C)C1 61990096 572467141 /nfs/dbraw/zinc/46/71/41/572467141.db2.gz BXQJYDFEUNPGLM-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCCC[N@@H+](C)[C@]1(CN)CCN(C)C1 61990096 572467146 /nfs/dbraw/zinc/46/71/46/572467146.db2.gz BXQJYDFEUNPGLM-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCCCN(C)[C@]1(C[NH3+])CCN(C)C1 61990096 572467148 /nfs/dbraw/zinc/46/71/48/572467148.db2.gz BXQJYDFEUNPGLM-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CN1CC[C@@H](N2CCC[C@H](C[NH3+])C2)C1 61991749 572467200 /nfs/dbraw/zinc/46/72/00/572467200.db2.gz HBEWNMJBEZQZPL-GHMZBOCLSA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CC[C@H](N2CCC[C@H](C[NH3+])C2)C1 61991748 572468672 /nfs/dbraw/zinc/46/86/72/572468672.db2.gz HBEWNMJBEZQZPL-MNOVXSKESA-N 1 3 197.326 0.361 10 0 ACAEHO CCN1CC[C@H](C)[N@H+](C)C[C@H]1CNC 250347451 572469589 /nfs/dbraw/zinc/46/95/89/572469589.db2.gz QPVBFRARVXAFSD-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1CC[C@H](C)[N@@H+](C)C[C@H]1CNC 250347451 572469592 /nfs/dbraw/zinc/46/95/92/572469592.db2.gz QPVBFRARVXAFSD-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO NCc1c[nH]c(CC[NH+]2CCCC2)n1 74245887 572471698 /nfs/dbraw/zinc/47/16/98/572471698.db2.gz GAOCIZTVQXOCPW-UHFFFAOYSA-N 1 3 194.282 0.507 10 0 ACAEHO C[NH+](C)CCc1[nH]nc2c1CCNC2 74245870 572471776 /nfs/dbraw/zinc/47/17/76/572471776.db2.gz TYQNMGLINXYAET-UHFFFAOYSA-N 1 3 194.282 0.160 10 0 ACAEHO C[NH+](C)CCC[C@@H](N)c1ccncn1 74246024 572472256 /nfs/dbraw/zinc/47/22/56/572472256.db2.gz MWDCYKRXMWEUBY-SECBINFHSA-N 1 3 194.282 0.818 10 0 ACAEHO Cc1nc(CN)cc(CC[NH+](C)C)n1 74246053 572472609 /nfs/dbraw/zinc/47/26/09/572472609.db2.gz KWWNXPYTIHXDQC-UHFFFAOYSA-N 1 3 194.282 0.348 10 0 ACAEHO Cc1nc(CN)cnc1CC[NH+](C)C 74245880 572473438 /nfs/dbraw/zinc/47/34/38/572473438.db2.gz FFMWRDWJWXATQD-UHFFFAOYSA-N 1 3 194.282 0.348 10 0 ACAEHO C[NH+](C)CCC[C@H](N)c1ccncn1 74246023 572473831 /nfs/dbraw/zinc/47/38/31/572473831.db2.gz MWDCYKRXMWEUBY-VIFPVBQESA-N 1 3 194.282 0.818 10 0 ACAEHO NC1=N[C@@H]2CC[C@H](C[NH3+])C[C@H]2S1 527013533 572476107 /nfs/dbraw/zinc/47/61/07/572476107.db2.gz FSFZQXTWRGVGBJ-RRKCRQDMSA-N 1 3 185.296 0.754 10 0 ACAEHO CN1CCc2n[nH]c(C(C)(C)[NH3+])c2C1 74245995 572473992 /nfs/dbraw/zinc/47/39/92/572473992.db2.gz DMLANUSLNLRBJB-UHFFFAOYSA-N 1 3 194.282 0.591 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@@H](N2CCCC2)C1 250557669 572474051 /nfs/dbraw/zinc/47/40/51/572474051.db2.gz BNMMUXXDPSBFSF-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@@H](N)[C@@H]([NH+]2CCCC2)C1 250557669 572474056 /nfs/dbraw/zinc/47/40/56/572474056.db2.gz BNMMUXXDPSBFSF-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]([NH3+])Cn1cnc2c1CCN(C)C2 74246020 572474309 /nfs/dbraw/zinc/47/43/09/572474309.db2.gz BXJCYCHSBJOYHX-MRVPVSSYSA-N 1 3 194.282 0.218 10 0 ACAEHO C[C@H]([NH3+])Cn1cnc2c1CCN(C)C2 74246019 572474444 /nfs/dbraw/zinc/47/44/44/572474444.db2.gz BXJCYCHSBJOYHX-QMMMGPOBSA-N 1 3 194.282 0.218 10 0 ACAEHO NC1=N[C@@H]2CC[C@H](C[NH3+])C[C@@H]2S1 527013534 572474556 /nfs/dbraw/zinc/47/45/56/572474556.db2.gz FSFZQXTWRGVGBJ-XVMARJQXSA-N 1 3 185.296 0.754 10 0 ACAEHO CCN(CC)[C@H](C)[C@@H](C)NC(N)=[NH2+] 238258917 572474573 /nfs/dbraw/zinc/47/45/73/572474573.db2.gz DTARVVXHSDRBQB-HTQZYQBOSA-N 1 3 186.303 0.588 10 0 ACAEHO CCCNC[C@@H](C)[NH2+]C 53493236 572478519 /nfs/dbraw/zinc/47/85/19/572478519.db2.gz LWKLIZBZKBSZFR-SSDOTTSWSA-N 1 3 130.235 0.594 10 0 ACAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1C1CCOCC1 250556158 572475342 /nfs/dbraw/zinc/47/53/42/572475342.db2.gz BDTKWXLIWBDQGC-WDEREUQCSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@H+]1CC[C@@H](CN)[C@H]1C1CCOCC1 250556158 572475346 /nfs/dbraw/zinc/47/53/46/572475346.db2.gz BDTKWXLIWBDQGC-WDEREUQCSA-N 1 3 198.310 0.692 10 0 ACAEHO C[NH2+][C@H](C)CSCCN(C)C 87417638 572476114 /nfs/dbraw/zinc/47/61/14/572476114.db2.gz WTCPNQOWHUKCKO-MRVPVSSYSA-N 1 3 176.329 0.889 10 0 ACAEHO CC[NH2+][C@@H](C)CNC(C)C 53493410 572476178 /nfs/dbraw/zinc/47/61/78/572476178.db2.gz NPKAUKALEIYPDB-QMMMGPOBSA-N 1 3 144.262 0.982 10 0 ACAEHO COC1CC(N[C@H]2CC[C@@H]([NH3+])C2)C1 234740750 572476599 /nfs/dbraw/zinc/47/65/99/572476599.db2.gz KCUFEEXUKUDPAL-XHHQTKHESA-N 1 3 184.283 0.633 10 0 ACAEHO CN(C)CCSC/C=C/C[NH3+] 87416648 572476678 /nfs/dbraw/zinc/47/66/78/572476678.db2.gz XBJMUTTVDVXNQI-ONEGZZNKSA-N 1 3 174.313 0.796 10 0 ACAEHO CN1CC[C@@]2(C[C@@H](C[NH3+])CCO2)C1 250557135 572476801 /nfs/dbraw/zinc/47/68/01/572476801.db2.gz BJOZOYIGDKESNV-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO C[N@@H+]1CC[C@H](CN)[C@H]1C1CCOCC1 250556157 572476898 /nfs/dbraw/zinc/47/68/98/572476898.db2.gz BDTKWXLIWBDQGC-GHMZBOCLSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@H+]1CC[C@H](CN)[C@H]1C1CCOCC1 250556157 572476904 /nfs/dbraw/zinc/47/69/04/572476904.db2.gz BDTKWXLIWBDQGC-GHMZBOCLSA-N 1 3 198.310 0.692 10 0 ACAEHO CCCCNC[C@H](C)[NH2+]C 53493266 572476907 /nfs/dbraw/zinc/47/69/07/572476907.db2.gz ZEZGAOOKQUQHDA-QMMMGPOBSA-N 1 3 144.262 0.984 10 0 ACAEHO CC[NH2+]CCSCCN(C)C 87417150 572477015 /nfs/dbraw/zinc/47/70/15/572477015.db2.gz BHYQZILNQDEJGD-UHFFFAOYSA-N 1 3 176.329 0.891 10 0 ACAEHO C[NH2+][C@@H](C)CSCCN(C)C 87417637 572477288 /nfs/dbraw/zinc/47/72/88/572477288.db2.gz WTCPNQOWHUKCKO-QMMMGPOBSA-N 1 3 176.329 0.889 10 0 ACAEHO CCCCNC[C@@H](C)[NH2+]C 53493265 572477310 /nfs/dbraw/zinc/47/73/10/572477310.db2.gz ZEZGAOOKQUQHDA-MRVPVSSYSA-N 1 3 144.262 0.984 10 0 ACAEHO C[NH2+]CCCSCCN(C)C 87417146 572477419 /nfs/dbraw/zinc/47/74/19/572477419.db2.gz PWTRXXCSYMAPHU-UHFFFAOYSA-N 1 3 176.329 0.891 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@@H](N2CCCC2)C1 250557668 572477469 /nfs/dbraw/zinc/47/74/69/572477469.db2.gz BNMMUXXDPSBFSF-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H](N)[C@@H]([NH+]2CCCC2)C1 250557668 572477471 /nfs/dbraw/zinc/47/74/71/572477471.db2.gz BNMMUXXDPSBFSF-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@]2(C[C@@H](C[NH3+])CCO2)C1 250557134 572477481 /nfs/dbraw/zinc/47/74/81/572477481.db2.gz BJOZOYIGDKESNV-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO CN(C)CCSC[C@@H]1CC[NH2+]C1 87417201 572477539 /nfs/dbraw/zinc/47/75/39/572477539.db2.gz UEAWLUMYORGHRJ-SECBINFHSA-N 1 3 188.340 0.891 10 0 ACAEHO COC1CC(N[C@H]2CC[C@H]([NH3+])C2)C1 234740933 572477550 /nfs/dbraw/zinc/47/75/50/572477550.db2.gz KCUFEEXUKUDPAL-DKEVHCRPSA-N 1 3 184.283 0.633 10 0 ACAEHO CCCNC[C@H](C)[NH2+]C 53493237 572477717 /nfs/dbraw/zinc/47/77/17/572477717.db2.gz LWKLIZBZKBSZFR-ZETCQYMHSA-N 1 3 130.235 0.594 10 0 ACAEHO CCOCCCNC[C@@H](C)[NH3+] 53490656 572478068 /nfs/dbraw/zinc/47/80/68/572478068.db2.gz FGTIXBTYRLGHCI-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CCCNC[C@@H](C)[NH2+]CC 53493337 572478172 /nfs/dbraw/zinc/47/81/72/572478172.db2.gz NCUSWAHQLOOUEA-MRVPVSSYSA-N 1 3 144.262 0.984 10 0 ACAEHO CC[C@@H]1CCN(CCNC(N)=[NH2+])C1 238263269 572478263 /nfs/dbraw/zinc/47/82/63/572478263.db2.gz QEGOOMZSWLMWBC-MRVPVSSYSA-N 1 3 184.287 0.201 10 0 ACAEHO [NH3+][C@H]1CCN([C@H]2CCN(C3CC3)C2)C1 44725399 572478363 /nfs/dbraw/zinc/47/83/63/572478363.db2.gz CTYNTGWPGNVZGI-ONGXEEELSA-N 1 3 195.310 0.256 10 0 ACAEHO CCCNC[C@H](C)[NH2+]CC 53493339 572478642 /nfs/dbraw/zinc/47/86/42/572478642.db2.gz NCUSWAHQLOOUEA-QMMMGPOBSA-N 1 3 144.262 0.984 10 0 ACAEHO CN(C)CCSC[C@H]1CC[NH2+]C1 87417202 572478809 /nfs/dbraw/zinc/47/88/09/572478809.db2.gz UEAWLUMYORGHRJ-VIFPVBQESA-N 1 3 188.340 0.891 10 0 ACAEHO CN1CCC[C@H]2C[NH2+]C[C@H]2C1 250565582 572479211 /nfs/dbraw/zinc/47/92/11/572479211.db2.gz DEVMBJIFOUCPAK-IUCAKERBSA-N 1 3 154.257 0.548 10 0 ACAEHO CN1CCC[C@@H](O[C@H]2CCC[NH2+]C2)C1 250568867 572481256 /nfs/dbraw/zinc/48/12/56/572481256.db2.gz DPKRVEFKYYNAAK-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CN1CCC[C@H]([C@@H]([NH3+])CCCO)C1 250572863 572483260 /nfs/dbraw/zinc/48/32/60/572483260.db2.gz FBKJLRCJNYTVQV-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN1CCC[C@H](O[C@H]2CCC[NH2+]C2)C1 250568864 572481633 /nfs/dbraw/zinc/48/16/33/572481633.db2.gz DPKRVEFKYYNAAK-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO N=C(N)Nc1nc(C=CC[NH3+])cs1 141374731 572482008 /nfs/dbraw/zinc/48/20/08/572482008.db2.gz MYLDMZJQAQFPHC-OWOJBTEDSA-N 1 3 197.267 0.420 10 0 ACAEHO CN1CCC[C@@H]([C@@H]([NH3+])CCCO)C1 250572867 572482310 /nfs/dbraw/zinc/48/23/10/572482310.db2.gz FBKJLRCJNYTVQV-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN1C[C@@H](C)C[N@H+](C)C[C@H]1CN 250352727 572482586 /nfs/dbraw/zinc/48/25/86/572482586.db2.gz ROGRRPPWJOCEKD-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CCN1C[C@@H](C)C[N@@H+](C)C[C@H]1CN 250352727 572482590 /nfs/dbraw/zinc/48/25/90/572482590.db2.gz ROGRRPPWJOCEKD-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)CN(C)C[C@H]1CN 250352727 572482596 /nfs/dbraw/zinc/48/25/96/572482596.db2.gz ROGRRPPWJOCEKD-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@H+]1C[C@@H](C)CN(C)C[C@H]1CN 250352727 572482598 /nfs/dbraw/zinc/48/25/98/572482598.db2.gz ROGRRPPWJOCEKD-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CN1CCC[C@@H]2C[NH2+]C[C@H]2C1 250565579 572483150 /nfs/dbraw/zinc/48/31/50/572483150.db2.gz DEVMBJIFOUCPAK-BDAKNGLRSA-N 1 3 154.257 0.548 10 0 ACAEHO CNC[C@H]1C[N@H+](CC(C)C)CCN1C 250584793 572485648 /nfs/dbraw/zinc/48/56/48/572485648.db2.gz HVLWMLOSGIEAHT-NSHDSACASA-N 1 3 199.342 0.478 10 0 ACAEHO CC[N@H+]1C[C@H](C)CN(C)C[C@H]1CN 250352724 572483883 /nfs/dbraw/zinc/48/38/83/572483883.db2.gz ROGRRPPWJOCEKD-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CCN1C[C@H](C)C[N@H+](C)C[C@H]1CN 250352724 572483871 /nfs/dbraw/zinc/48/38/71/572483871.db2.gz ROGRRPPWJOCEKD-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CCN1C[C@H](C)C[N@@H+](C)C[C@H]1CN 250352724 572483876 /nfs/dbraw/zinc/48/38/76/572483876.db2.gz ROGRRPPWJOCEKD-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@@H+]1C[C@H](C)CN(C)C[C@H]1CN 250352724 572483878 /nfs/dbraw/zinc/48/38/78/572483878.db2.gz ROGRRPPWJOCEKD-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CNC[C@H]1C[N@@H+](CC(C)C)CCN1C 250584793 572485651 /nfs/dbraw/zinc/48/56/51/572485651.db2.gz HVLWMLOSGIEAHT-NSHDSACASA-N 1 3 199.342 0.478 10 0 ACAEHO CN1CC[C@H](CC[NH3+])[C@@H]2COC[C@H]21 250580269 572484094 /nfs/dbraw/zinc/48/40/94/572484094.db2.gz FYDDBQWKWCRQNV-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO CN1CC[C@H](CC[NH3+])[C@H]2COC[C@H]21 250580266 572484684 /nfs/dbraw/zinc/48/46/84/572484684.db2.gz FYDDBQWKWCRQNV-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])CCCO)C1 250589152 572485069 /nfs/dbraw/zinc/48/50/69/572485069.db2.gz HEHJHBNFNXJYRS-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CC[C@H](CC[NH3+])[C@@H]2COC[C@@H]21 250580261 572485395 /nfs/dbraw/zinc/48/53/95/572485395.db2.gz FYDDBQWKWCRQNV-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO C[N@@H+]1CC[C@H]2C[C@@]2(CN)C1 250592548 572485825 /nfs/dbraw/zinc/48/58/25/572485825.db2.gz HUYFFXDUQMPOIS-JGVFFNPUSA-N 1 3 140.230 0.287 10 0 ACAEHO C[N@H+]1CC[C@H]2C[C@@]2(CN)C1 250592548 572485831 /nfs/dbraw/zinc/48/58/31/572485831.db2.gz HUYFFXDUQMPOIS-JGVFFNPUSA-N 1 3 140.230 0.287 10 0 ACAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1C1CC1 250581199 572485845 /nfs/dbraw/zinc/48/58/45/572485845.db2.gz GBNATQCVSXNORK-UYXSQOIJSA-N 1 3 152.241 0.284 10 0 ACAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@H]1C1CC1 250581199 572485848 /nfs/dbraw/zinc/48/58/48/572485848.db2.gz GBNATQCVSXNORK-UYXSQOIJSA-N 1 3 152.241 0.284 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])CCCO)C1 250589155 572486429 /nfs/dbraw/zinc/48/64/29/572486429.db2.gz HEHJHBNFNXJYRS-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](C1CCOCC1)N1CC[C@@H]([NH3+])C1 235089002 572490062 /nfs/dbraw/zinc/49/00/62/572490062.db2.gz PPVIQHFYOBMWMK-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO CN1CC[C@H](CCC[NH3+])[C@@H](O)C1 250595452 572489355 /nfs/dbraw/zinc/48/93/55/572489355.db2.gz IPIMZIQBJPFHJH-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@H]1C1CCOCC1 250580962 572487552 /nfs/dbraw/zinc/48/75/52/572487552.db2.gz FZFKYMFOTGKNMO-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@H]1C1CCOCC1 250580962 572487559 /nfs/dbraw/zinc/48/75/59/572487559.db2.gz FZFKYMFOTGKNMO-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@H]1C1CCOCC1 250580962 572487563 /nfs/dbraw/zinc/48/75/63/572487563.db2.gz FZFKYMFOTGKNMO-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CN1CC[C@@H]([NH3+])C[C@H]1C1CCOCC1 250580957 572487798 /nfs/dbraw/zinc/48/77/98/572487798.db2.gz FZFKYMFOTGKNMO-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)C[C@H]1C1CCOCC1 250580957 572487803 /nfs/dbraw/zinc/48/78/03/572487803.db2.gz FZFKYMFOTGKNMO-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+]1CC[C@@H](N)C[C@H]1C1CCOCC1 250580957 572487805 /nfs/dbraw/zinc/48/78/05/572487805.db2.gz FZFKYMFOTGKNMO-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO CC(C)CN1C[C@H]2[C@H]([NH3+])[C@H]2C1 250590589 572487935 /nfs/dbraw/zinc/48/79/35/572487935.db2.gz KKOOEZSVIFJCPT-BRPSZJMVSA-N 1 3 154.257 0.531 10 0 ACAEHO C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1C1CC1 250581196 572488284 /nfs/dbraw/zinc/48/82/84/572488284.db2.gz GBNATQCVSXNORK-KZVJFYERSA-N 1 3 152.241 0.284 10 0 ACAEHO C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2[C@@H]1C1CC1 250581196 572488290 /nfs/dbraw/zinc/48/82/90/572488290.db2.gz GBNATQCVSXNORK-KZVJFYERSA-N 1 3 152.241 0.284 10 0 ACAEHO CCN[C@H](C)C(CO)[C@@H](C)[NH2+]CC 238266846 572489247 /nfs/dbraw/zinc/48/92/47/572489247.db2.gz GFKXUPZPUUUURD-RKDXNWHRSA-N 1 3 188.315 0.591 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CC[C@@](C)(O)C1 235083885 572489279 /nfs/dbraw/zinc/48/92/79/572489279.db2.gz JQJGUDLPYVKQMJ-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CC[C@@](C)(O)C1 235083885 572489281 /nfs/dbraw/zinc/48/92/81/572489281.db2.gz JQJGUDLPYVKQMJ-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC[C@@](C)(O)C1 235083885 572489290 /nfs/dbraw/zinc/48/92/90/572489290.db2.gz JQJGUDLPYVKQMJ-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO COC[C@@](C[NH3+])(C1CC1)N1CCCC1 87482081 572489649 /nfs/dbraw/zinc/48/96/49/572489649.db2.gz BSHNZGPKMWDEFN-NSHDSACASA-N 1 3 198.310 0.836 10 0 ACAEHO COC[C@@H](NCC[NH3+])C(C)C 87478975 572489833 /nfs/dbraw/zinc/48/98/33/572489833.db2.gz QYYRLSZWYGFSTI-MRVPVSSYSA-N 1 3 160.261 0.206 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@@H]1[C@H]1CCOC1 250631393 572489967 /nfs/dbraw/zinc/48/99/67/572489967.db2.gz RFPCCHNYPWJWGX-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1[C@H]1CCOC1 250631393 572489971 /nfs/dbraw/zinc/48/99/71/572489971.db2.gz RFPCCHNYPWJWGX-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@@H]1[C@H]1CCOC1 250631393 572489977 /nfs/dbraw/zinc/48/99/77/572489977.db2.gz RFPCCHNYPWJWGX-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])C2CCOCC2)C1 250603538 572490219 /nfs/dbraw/zinc/49/02/19/572490219.db2.gz KQKXPWMFMWZPPD-MNOVXSKESA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@](C[NH3+])(C1CC1)N1CCCC1 87482082 572490477 /nfs/dbraw/zinc/49/04/77/572490477.db2.gz BSHNZGPKMWDEFN-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO COC[C@H](NCC[NH3+])C(C)C 87478978 572490593 /nfs/dbraw/zinc/49/05/93/572490593.db2.gz QYYRLSZWYGFSTI-QMMMGPOBSA-N 1 3 160.261 0.206 10 0 ACAEHO C[N@@H+]1CC[C@H](CN)[C@@H]1[C@H]1CCCOC1 250598215 572490743 /nfs/dbraw/zinc/49/07/43/572490743.db2.gz JHAZAVXUDURMFZ-OUAUKWLOSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@H+]1CC[C@H](CN)[C@@H]1[C@H]1CCCOC1 250598215 572490747 /nfs/dbraw/zinc/49/07/47/572490747.db2.gz JHAZAVXUDURMFZ-OUAUKWLOSA-N 1 3 198.310 0.692 10 0 ACAEHO COCC1CC([NH2+][C@@H](C)C2CNC2)C1 713962619 572490979 /nfs/dbraw/zinc/49/09/79/572490979.db2.gz UZVXBBHJUOKZCS-SILCLGDVSA-N 1 3 198.310 0.609 10 0 ACAEHO C[N@H+]1CC[C@H](CN)[C@H]1[C@@H]1CCCOC1 250598212 572491138 /nfs/dbraw/zinc/49/11/38/572491138.db2.gz JHAZAVXUDURMFZ-MXWKQRLJSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@@H+]1CC[C@H](CN)[C@H]1[C@@H]1CCCOC1 250598212 572491137 /nfs/dbraw/zinc/49/11/37/572491137.db2.gz JHAZAVXUDURMFZ-MXWKQRLJSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1[C@H](CN)N1CCCC1 250608591 572491362 /nfs/dbraw/zinc/49/13/62/572491362.db2.gz MASBQKZVQSZHNX-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@H+]1CCC[C@@H]1[C@H](CN)N1CCCC1 250608591 572491369 /nfs/dbraw/zinc/49/13/69/572491369.db2.gz MASBQKZVQSZHNX-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC[C@@H]1[C@H](CN)[NH+]1CCCC1 250608591 572491373 /nfs/dbraw/zinc/49/13/73/572491373.db2.gz MASBQKZVQSZHNX-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCN(C)C[C@@H]1C 235083682 572491843 /nfs/dbraw/zinc/49/18/43/572491843.db2.gz WKUOCOYEGSBURR-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])C2CCOCC2)C1 250603541 572492794 /nfs/dbraw/zinc/49/27/94/572492794.db2.gz KQKXPWMFMWZPPD-QWRGUYRKSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@H](NCCC[NH3+])C1CC1 87479013 572492963 /nfs/dbraw/zinc/49/29/63/572492963.db2.gz CZZCCTMSYHENGR-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO COC[C@H]([NH2+]CCCN)C1CC1 87479013 572492965 /nfs/dbraw/zinc/49/29/65/572492965.db2.gz CZZCCTMSYHENGR-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO Cc1cnn(CCNC2CC([NH3+])C2)c1 235946271 572493212 /nfs/dbraw/zinc/49/32/12/572493212.db2.gz KHYUBPFKSQZWEC-UHFFFAOYSA-N 1 3 194.282 0.271 10 0 ACAEHO COC[C@@H](NCCC[NH3+])C1CC1 87479016 572493429 /nfs/dbraw/zinc/49/34/29/572493429.db2.gz CZZCCTMSYHENGR-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO COC[C@@H]([NH2+]CCCN)C1CC1 87479016 572493431 /nfs/dbraw/zinc/49/34/31/572493431.db2.gz CZZCCTMSYHENGR-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO C[N@@H+]1CC[C@H](CN)[C@H]1[C@H]1CCCOC1 250598217 572493482 /nfs/dbraw/zinc/49/34/82/572493482.db2.gz JHAZAVXUDURMFZ-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@H+]1CC[C@H](CN)[C@H]1[C@H]1CCCOC1 250598217 572493485 /nfs/dbraw/zinc/49/34/85/572493485.db2.gz JHAZAVXUDURMFZ-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO CN1CC[C@@H](CCC[NH3+])[C@@H](O)C1 250595449 572493538 /nfs/dbraw/zinc/49/35/38/572493538.db2.gz IPIMZIQBJPFHJH-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@H](C)N1CCO[C@@H](CC[NH3+])C1 238267897 572493670 /nfs/dbraw/zinc/49/36/70/572493670.db2.gz RKIRGNGFDFYFAJ-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)CN1CCCN(C)C[C@H]1C[NH3+] 250609312 572493892 /nfs/dbraw/zinc/49/38/92/572493892.db2.gz YMRDZJQFKZWWSR-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@H]1[C@@H]1CCOC1 250631397 572493903 /nfs/dbraw/zinc/49/39/03/572493903.db2.gz RFPCCHNYPWJWGX-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@H]1[C@@H]1CCOC1 250631397 572493909 /nfs/dbraw/zinc/49/39/09/572493909.db2.gz RFPCCHNYPWJWGX-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@H]1[C@@H]1CCOC1 250631397 572493911 /nfs/dbraw/zinc/49/39/11/572493911.db2.gz RFPCCHNYPWJWGX-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@H]1[C@H]1CCOC1 250631389 572494243 /nfs/dbraw/zinc/49/42/43/572494243.db2.gz RFPCCHNYPWJWGX-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@H]1[C@H]1CCOC1 250631389 572494244 /nfs/dbraw/zinc/49/42/44/572494244.db2.gz RFPCCHNYPWJWGX-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@H]1[C@H]1CCOC1 250631389 572494248 /nfs/dbraw/zinc/49/42/48/572494248.db2.gz RFPCCHNYPWJWGX-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@H]2CSC[C@H]21 250627208 572495010 /nfs/dbraw/zinc/49/50/10/572495010.db2.gz QKEFZZCKSFJBGL-XLPZGREQSA-N 1 3 172.297 0.238 10 0 ACAEHO CCC[C@@H]1CCN(CCNC(N)=[NH2+])C1 238268987 572494517 /nfs/dbraw/zinc/49/45/17/572494517.db2.gz DDBAMSFGMSVEQS-SECBINFHSA-N 1 3 198.314 0.591 10 0 ACAEHO CN1CCC[C@H]2[NH2+]CC[C@H]2C1 250618967 572495413 /nfs/dbraw/zinc/49/54/13/572495413.db2.gz OSSIGSCHTXWBDP-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@@H]2CSC[C@@H]21 250627205 572495427 /nfs/dbraw/zinc/49/54/27/572495427.db2.gz QKEFZZCKSFJBGL-FXQIFTODSA-N 1 3 172.297 0.238 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCOCC[C@@H]21 250617203 572495693 /nfs/dbraw/zinc/49/56/93/572495693.db2.gz OFBFGPHFWPIVOT-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO CN1CC[C@@H]2CC[NH2+]C[C@H]2C1 250615549 572495630 /nfs/dbraw/zinc/49/56/30/572495630.db2.gz NVEYGMACJJYFHF-IUCAKERBSA-N 1 3 154.257 0.548 10 0 ACAEHO C[N@@H+]1CC[C@@H]2CCNC[C@H]2C1 250615549 572495633 /nfs/dbraw/zinc/49/56/33/572495633.db2.gz NVEYGMACJJYFHF-IUCAKERBSA-N 1 3 154.257 0.548 10 0 ACAEHO C[N@H+]1CC[C@@H]2CCNC[C@H]2C1 250615549 572495636 /nfs/dbraw/zinc/49/56/36/572495636.db2.gz NVEYGMACJJYFHF-IUCAKERBSA-N 1 3 154.257 0.548 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCOCC[C@@H]21 250617203 572495696 /nfs/dbraw/zinc/49/56/96/572495696.db2.gz OFBFGPHFWPIVOT-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO N[C@@H]1C[C@@H](CCO)C[N@@H+](C2CCC2)C1 250624109 572495925 /nfs/dbraw/zinc/49/59/25/572495925.db2.gz AUAFKISUQNJKMG-NXEZZACHSA-N 1 3 198.310 0.571 10 0 ACAEHO N[C@@H]1C[C@@H](CCO)C[N@H+](C2CCC2)C1 250624109 572495928 /nfs/dbraw/zinc/49/59/28/572495928.db2.gz AUAFKISUQNJKMG-NXEZZACHSA-N 1 3 198.310 0.571 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CSCC[C@@H]21 250622035 572495944 /nfs/dbraw/zinc/49/59/44/572495944.db2.gz PKPSURVEEFOKPY-CIUDSAMLSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H]2CSCC[C@@H]21 250622035 572495949 /nfs/dbraw/zinc/49/59/49/572495949.db2.gz PKPSURVEEFOKPY-CIUDSAMLSA-N 1 3 186.324 0.628 10 0 ACAEHO CN1CCC[C@@H]2[NH2+]CC[C@H]2C1 250618969 572496909 /nfs/dbraw/zinc/49/69/09/572496909.db2.gz OSSIGSCHTXWBDP-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCCN(CC)CC1 307776227 572497160 /nfs/dbraw/zinc/49/71/60/572497160.db2.gz KGKCIRPDQNOGDD-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@H](C[NH3+])N1CCCN(CC)CC1 307776220 572498293 /nfs/dbraw/zinc/49/82/93/572498293.db2.gz KGKCIRPDQNOGDD-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CSCC[C@H]21 250622043 572498433 /nfs/dbraw/zinc/49/84/33/572498433.db2.gz PKPSURVEEFOKPY-XHNCKOQMSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H]2CSCC[C@H]21 250622043 572498436 /nfs/dbraw/zinc/49/84/36/572498436.db2.gz PKPSURVEEFOKPY-XHNCKOQMSA-N 1 3 186.324 0.628 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@@H]2CSC[C@H]21 250627202 572498613 /nfs/dbraw/zinc/49/86/13/572498613.db2.gz QKEFZZCKSFJBGL-BIIVOSGPSA-N 1 3 172.297 0.238 10 0 ACAEHO CC[C@@H](CNC(N)=[NH2+])N(CC)CC 238271079 572498930 /nfs/dbraw/zinc/49/89/30/572498930.db2.gz WYVFGBDXZPONBN-QMMMGPOBSA-N 1 3 186.303 0.590 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@H]2CSCC[C@H]21 250622039 572499278 /nfs/dbraw/zinc/49/92/78/572499278.db2.gz PKPSURVEEFOKPY-DJLDLDEBSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@H]2CSCC[C@H]21 250622039 572499282 /nfs/dbraw/zinc/49/92/82/572499282.db2.gz PKPSURVEEFOKPY-DJLDLDEBSA-N 1 3 186.324 0.628 10 0 ACAEHO CCOCCN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238271435 572499298 /nfs/dbraw/zinc/49/92/98/572499298.db2.gz GNDQSRJXHOBXEJ-RTCCRHLQSA-N 1 3 198.310 0.977 10 0 ACAEHO N[C@@H]1C[C@H](CCO)C[N@@H+](C2CCC2)C1 250624112 572499523 /nfs/dbraw/zinc/49/95/23/572499523.db2.gz AUAFKISUQNJKMG-VHSXEESVSA-N 1 3 198.310 0.571 10 0 ACAEHO N[C@@H]1C[C@H](CCO)C[N@H+](C2CCC2)C1 250624112 572499529 /nfs/dbraw/zinc/49/95/29/572499529.db2.gz AUAFKISUQNJKMG-VHSXEESVSA-N 1 3 198.310 0.571 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCOCC[C@H]21 250617206 572499653 /nfs/dbraw/zinc/49/96/53/572499653.db2.gz OFBFGPHFWPIVOT-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@H]2CCOCC[C@H]21 250617206 572499656 /nfs/dbraw/zinc/49/96/56/572499656.db2.gz OFBFGPHFWPIVOT-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCOCC[C@H]21 250617209 572499712 /nfs/dbraw/zinc/49/97/12/572499712.db2.gz OFBFGPHFWPIVOT-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCOCC[C@H]21 250617209 572499716 /nfs/dbraw/zinc/49/97/16/572499716.db2.gz OFBFGPHFWPIVOT-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO COC[C@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)C1 714460939 572499873 /nfs/dbraw/zinc/49/98/73/572499873.db2.gz UZVXBBHJUOKZCS-ATZCPNFKSA-N 1 3 198.310 0.609 10 0 ACAEHO COC[C@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)C1 714460945 572500012 /nfs/dbraw/zinc/50/00/12/572500012.db2.gz UZVXBBHJUOKZCS-KKZNHRDASA-N 1 3 198.310 0.609 10 0 ACAEHO CC[C@@H](CO)[N@@H+]1CC[C@@H](CN)C1 238272800 572500187 /nfs/dbraw/zinc/50/01/87/572500187.db2.gz NWAGLNNCIDHZMR-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H](CO)[N@H+]1CC[C@@H](CN)C1 238272800 572500192 /nfs/dbraw/zinc/50/01/92/572500192.db2.gz NWAGLNNCIDHZMR-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CN(C)C)N(C)[C@@H]1CCC[NH2+]C1 713974231 572500651 /nfs/dbraw/zinc/50/06/51/572500651.db2.gz ZYQXDESENPMTIC-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CCOCC[NH2+]CC(C)(C)CN 238272020 572501611 /nfs/dbraw/zinc/50/16/11/572501611.db2.gz DCAIGAMHDKRDGV-UHFFFAOYSA-N 1 3 174.288 0.597 10 0 ACAEHO CCOCCNCC(C)(C)C[NH3+] 238272020 572501615 /nfs/dbraw/zinc/50/16/15/572501615.db2.gz DCAIGAMHDKRDGV-UHFFFAOYSA-N 1 3 174.288 0.597 10 0 ACAEHO C[C@@H](CN(C)C)N(C)[C@H]1CCC[NH2+]C1 713974230 572501684 /nfs/dbraw/zinc/50/16/84/572501684.db2.gz ZYQXDESENPMTIC-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO COC[C@@H](C)[C@H](CN)[NH+]1CCC1 308041853 572501709 /nfs/dbraw/zinc/50/17/09/572501709.db2.gz NRZOODZXMUFPNS-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO C[N@@H+]1CCCC[C@@H](O)[C@H]1CCN 250638859 572501752 /nfs/dbraw/zinc/50/17/52/572501752.db2.gz SQGWMRNMTXYTAR-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@H+]1CCCC[C@@H](O)[C@H]1CCN 250638859 572501754 /nfs/dbraw/zinc/50/17/54/572501754.db2.gz SQGWMRNMTXYTAR-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO COC[C@@H](C)[C@@H](CN)[NH+]1CCC1 308041856 572501783 /nfs/dbraw/zinc/50/17/83/572501783.db2.gz NRZOODZXMUFPNS-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CN1C[C@H](C[NH3+])C[C@H]2COCC[C@H]21 250639357 572503028 /nfs/dbraw/zinc/50/30/28/572503028.db2.gz SSOHMOQORHGKKA-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO COC[C@H](C)[C@H](CN)[NH+]1CCC1 308041855 572502017 /nfs/dbraw/zinc/50/20/17/572502017.db2.gz NRZOODZXMUFPNS-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@H]1CCNCC[N@@H+]1C[C@@H]1CCCO1 62568212 572502807 /nfs/dbraw/zinc/50/28/07/572502807.db2.gz LXUUCCNQBGHHFU-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CCNCC[N@H+]1C[C@@H]1CCCO1 62568212 572502811 /nfs/dbraw/zinc/50/28/11/572502811.db2.gz LXUUCCNQBGHHFU-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO CN(C)C1(C[NH2+]CCN)CCC1 308041852 572502841 /nfs/dbraw/zinc/50/28/41/572502841.db2.gz NRZCHHVMSZYYMP-UHFFFAOYSA-N 1 3 171.288 0.019 10 0 ACAEHO CN1CCC[C@@]2(C1)[NH2+]CC[C@@H]2CN 250639382 572502899 /nfs/dbraw/zinc/50/28/99/572502899.db2.gz SSXRTMWENAHGCA-ZJUUUORDSA-N 1 3 183.299 0.019 10 0 ACAEHO CN1C[C@H](C[NH3+])C[C@@H]2COCC[C@@H]21 250639351 572502940 /nfs/dbraw/zinc/50/29/40/572502940.db2.gz SSOHMOQORHGKKA-AEJSXWLSSA-N 1 3 184.283 0.302 10 0 ACAEHO CC(C)([NH3+])CNCC1(O)CCC1 308042477 572503390 /nfs/dbraw/zinc/50/33/90/572503390.db2.gz NYHFRDZNSXASCX-UHFFFAOYSA-N 1 3 172.272 0.228 10 0 ACAEHO CCN1C[C@H](CC[NH3+])N(C)C[C@H]1C 250240316 572503517 /nfs/dbraw/zinc/50/35/17/572503517.db2.gz HGDBWEIBEPJSLM-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[N@@H+]1CCCC[C@H](O)[C@H]1CCN 250638857 572503585 /nfs/dbraw/zinc/50/35/85/572503585.db2.gz SQGWMRNMTXYTAR-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@H+]1CCCC[C@H](O)[C@H]1CCN 250638857 572503590 /nfs/dbraw/zinc/50/35/90/572503590.db2.gz SQGWMRNMTXYTAR-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CCNCC[N@@H+]1C[C@@H]1CCCO1 62568210 572503603 /nfs/dbraw/zinc/50/36/03/572503603.db2.gz LXUUCCNQBGHHFU-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CCNCC[N@H+]1C[C@@H]1CCCO1 62568210 572503608 /nfs/dbraw/zinc/50/36/08/572503608.db2.gz LXUUCCNQBGHHFU-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO CN1C[C@H](C[NH3+])C[C@@H]2COCC[C@H]21 250639355 572504046 /nfs/dbraw/zinc/50/40/46/572504046.db2.gz SSOHMOQORHGKKA-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO CN1CCC[C@]2(C1)[NH2+]CC[C@@H]2CN 250639378 572504131 /nfs/dbraw/zinc/50/41/31/572504131.db2.gz SSXRTMWENAHGCA-NXEZZACHSA-N 1 3 183.299 0.019 10 0 ACAEHO COC[C@H](C)[C@@H](CN)[NH+]1CCC1 308041854 572504206 /nfs/dbraw/zinc/50/42/06/572504206.db2.gz NRZOODZXMUFPNS-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN1C[C@@H](CC[NH3+])N(C)C[C@H]1C 250240312 572504330 /nfs/dbraw/zinc/50/43/30/572504330.db2.gz HGDBWEIBEPJSLM-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1[C@H](CO)C[NH2+]CC[C@H]1C 250239320 572504466 /nfs/dbraw/zinc/50/44/66/572504466.db2.gz HCCKDQQRMKFDRE-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO CCN1[C@@H](C)CC[NH2+]C[C@H]1CO 250239330 572504533 /nfs/dbraw/zinc/50/45/33/572504533.db2.gz HCCKDQQRMKFDRE-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]CCCN 45137744 572516049 /nfs/dbraw/zinc/51/60/49/572516049.db2.gz KEPNMVWGBXNGFB-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO C[N@@H+]1CCC[C@H]1[C@@H](N)C1CCOCC1 250643876 572505242 /nfs/dbraw/zinc/50/52/42/572505242.db2.gz UPJBAGXHWPJZJP-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+]1CCC[C@H]1[C@@H](N)C1CCOCC1 250643876 572505252 /nfs/dbraw/zinc/50/52/52/572505252.db2.gz UPJBAGXHWPJZJP-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO C[NH2+]CCCN(C)[C@@H]1CCC[C@@H]1O 87472707 572505920 /nfs/dbraw/zinc/50/59/20/572505920.db2.gz IWKXSRVCIDKHIC-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CNCCC[N@H+](C)[C@@H]1CCC[C@@H]1O 87472707 572505923 /nfs/dbraw/zinc/50/59/23/572505923.db2.gz IWKXSRVCIDKHIC-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CNCCC[N@@H+](C)[C@@H]1CCC[C@@H]1O 87472707 572505929 /nfs/dbraw/zinc/50/59/29/572505929.db2.gz IWKXSRVCIDKHIC-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]CCCN(C)CCCCCO 87472795 572506176 /nfs/dbraw/zinc/50/61/76/572506176.db2.gz RIANMIKSODAQCC-UHFFFAOYSA-N 1 3 188.315 0.690 10 0 ACAEHO CNCCC[N@H+](C)CCCCCO 87472795 572506178 /nfs/dbraw/zinc/50/61/78/572506178.db2.gz RIANMIKSODAQCC-UHFFFAOYSA-N 1 3 188.315 0.690 10 0 ACAEHO CNCCC[N@@H+](C)CCCCCO 87472795 572506181 /nfs/dbraw/zinc/50/61/81/572506181.db2.gz RIANMIKSODAQCC-UHFFFAOYSA-N 1 3 188.315 0.690 10 0 ACAEHO C[NH2+]CCCN(C)[C@@H]1CCN(C)C1 87472275 572507819 /nfs/dbraw/zinc/50/78/19/572507819.db2.gz KIGPPPXYVMYSCM-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[N@H+](CCCO)[C@@H]1CCC[C@@H]1CN 84214024 572511404 /nfs/dbraw/zinc/51/14/04/572511404.db2.gz MROMJPWZRDLCHD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO [NH3+]CCCNCCOC(F)(F)F 84177961 572508314 /nfs/dbraw/zinc/50/83/14/572508314.db2.gz KODWHIVZEYMQTL-UHFFFAOYSA-N 1 3 186.177 0.461 10 0 ACAEHO C[NH2+]CCCN(C)[C@H]1CCN(C)C1 87472276 572508392 /nfs/dbraw/zinc/50/83/92/572508392.db2.gz KIGPPPXYVMYSCM-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@@H]1C[C@@H](C)N(CCNC(N)=[NH2+])C1 238279095 572508705 /nfs/dbraw/zinc/50/87/05/572508705.db2.gz YLRPENGBKOXISB-RKDXNWHRSA-N 1 3 198.314 0.590 10 0 ACAEHO CN1CC[C@@H](c2ccncc2C[NH3+])C1 74271466 572510198 /nfs/dbraw/zinc/51/01/98/572510198.db2.gz USRCZHZKVGVYDH-SECBINFHSA-N 1 3 191.278 0.959 10 0 ACAEHO C[NH2+]CCCN(C)[C@H]1CCC[C@@H]1O 87472708 572508773 /nfs/dbraw/zinc/50/87/73/572508773.db2.gz IWKXSRVCIDKHIC-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CNCCC[N@H+](C)[C@H]1CCC[C@@H]1O 87472708 572508778 /nfs/dbraw/zinc/50/87/78/572508778.db2.gz IWKXSRVCIDKHIC-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CNCCC[N@@H+](C)[C@H]1CCC[C@@H]1O 87472708 572508781 /nfs/dbraw/zinc/50/87/81/572508781.db2.gz IWKXSRVCIDKHIC-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1[C@@H](N)C1CCOCC1 250643874 572508853 /nfs/dbraw/zinc/50/88/53/572508853.db2.gz UPJBAGXHWPJZJP-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+]1CCC[C@@H]1[C@@H](N)C1CCOCC1 250643874 572508859 /nfs/dbraw/zinc/50/88/59/572508859.db2.gz UPJBAGXHWPJZJP-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@@H]1C[C@@H](C)CN1CCNC(N)=[NH2+] 238278963 572509396 /nfs/dbraw/zinc/50/93/96/572509396.db2.gz WLGXTVYLGIUPKX-RKDXNWHRSA-N 1 3 198.314 0.590 10 0 ACAEHO C[C@H](CNC1=[NH+]CCS1)N(C)C 45108720 572509732 /nfs/dbraw/zinc/50/97/32/572509732.db2.gz QJPKZQCNLZTRIZ-SSDOTTSWSA-N 1 3 187.312 0.629 10 0 ACAEHO C[C@@H](CO)[N@@H+]1CCCC[C@H]1CCN 308047606 572509947 /nfs/dbraw/zinc/50/99/47/572509947.db2.gz IMAHMODNXWSAQC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CO)[N@H+]1CCCC[C@H]1CCN 308047606 572509949 /nfs/dbraw/zinc/50/99/49/572509949.db2.gz IMAHMODNXWSAQC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CO)N1CCCC[C@H]1CC[NH3+] 308047606 572509952 /nfs/dbraw/zinc/50/99/52/572509952.db2.gz IMAHMODNXWSAQC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+]1CC[C@@H](c2ccnc(CN)c2)C1 74271457 572510011 /nfs/dbraw/zinc/51/00/11/572510011.db2.gz FWIQGCMARHLXNM-SNVBAGLBSA-N 1 3 191.278 0.959 10 0 ACAEHO C[N@H+]1CC[C@@H](c2ccnc(CN)c2)C1 74271457 572510014 /nfs/dbraw/zinc/51/00/14/572510014.db2.gz FWIQGCMARHLXNM-SNVBAGLBSA-N 1 3 191.278 0.959 10 0 ACAEHO C[N@@H+]1CCc2[nH]c3c(c2C1)CCNC3 74271356 572510098 /nfs/dbraw/zinc/51/00/98/572510098.db2.gz OUPZXISKGSMWLQ-UHFFFAOYSA-N 1 3 191.278 0.648 10 0 ACAEHO C[N@H+]1CCc2[nH]c3c(c2C1)CCNC3 74271356 572510099 /nfs/dbraw/zinc/51/00/99/572510099.db2.gz OUPZXISKGSMWLQ-UHFFFAOYSA-N 1 3 191.278 0.648 10 0 ACAEHO C[C@H](CO)[N@@H+]1CCCC[C@H]1CCN 308047607 572510236 /nfs/dbraw/zinc/51/02/36/572510236.db2.gz IMAHMODNXWSAQC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CO)[N@H+]1CCCC[C@H]1CCN 308047607 572510240 /nfs/dbraw/zinc/51/02/40/572510240.db2.gz IMAHMODNXWSAQC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CO)N1CCCC[C@H]1CC[NH3+] 308047607 572510242 /nfs/dbraw/zinc/51/02/42/572510242.db2.gz IMAHMODNXWSAQC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCO 84215761 572510424 /nfs/dbraw/zinc/51/04/24/572510424.db2.gz OAOZWOPPTZEIID-UWVGGRQHSA-N 1 3 186.299 0.476 10 0 ACAEHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCO 84215763 572510527 /nfs/dbraw/zinc/51/05/27/572510527.db2.gz OAOZWOPPTZEIID-VHSXEESVSA-N 1 3 186.299 0.476 10 0 ACAEHO C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN 84215965 572510941 /nfs/dbraw/zinc/51/09/41/572510941.db2.gz KYVSODRHGZXWJY-IVZWLZJFSA-N 1 3 186.299 0.474 10 0 ACAEHO CN1CC[C@H](c2ccncc2C[NH3+])C1 74271464 572511287 /nfs/dbraw/zinc/51/12/87/572511287.db2.gz USRCZHZKVGVYDH-VIFPVBQESA-N 1 3 191.278 0.959 10 0 ACAEHO C[N@@H+](CCCO)[C@@H]1CCC[C@@H]1CN 84214024 572511406 /nfs/dbraw/zinc/51/14/06/572511406.db2.gz MROMJPWZRDLCHD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCCO)[C@@H]1CCC[C@@H]1C[NH3+] 84214024 572511408 /nfs/dbraw/zinc/51/14/08/572511408.db2.gz MROMJPWZRDLCHD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+]1CC[C@H](c2ccnc(CN)c2)C1 74271454 572511429 /nfs/dbraw/zinc/51/14/29/572511429.db2.gz FWIQGCMARHLXNM-JTQLQIEISA-N 1 3 191.278 0.959 10 0 ACAEHO C[N@H+]1CC[C@H](c2ccnc(CN)c2)C1 74271454 572511433 /nfs/dbraw/zinc/51/14/33/572511433.db2.gz FWIQGCMARHLXNM-JTQLQIEISA-N 1 3 191.278 0.959 10 0 ACAEHO CN(C)CCN[C@@H]1CCC[C@H]1C[NH3+] 84217200 572511630 /nfs/dbraw/zinc/51/16/30/572511630.db2.gz JPNQWJSWSVCGGD-VHSXEESVSA-N 1 3 185.315 0.265 10 0 ACAEHO CN(C)CCN[C@@H]1CCC[C@@H]1C[NH3+] 84217196 572511715 /nfs/dbraw/zinc/51/17/15/572511715.db2.gz JPNQWJSWSVCGGD-NXEZZACHSA-N 1 3 185.315 0.265 10 0 ACAEHO CN(C)CCN[C@H]1CCC[C@@H]1C[NH3+] 84217197 572511760 /nfs/dbraw/zinc/51/17/60/572511760.db2.gz JPNQWJSWSVCGGD-ZJUUUORDSA-N 1 3 185.315 0.265 10 0 ACAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCO 84215867 572511789 /nfs/dbraw/zinc/51/17/89/572511789.db2.gz IAGNHXMTOGBWTN-IUCAKERBSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1CN 84215978 572513091 /nfs/dbraw/zinc/51/30/91/572513091.db2.gz KKEQOCMPGZLKLI-BBBLOLIVSA-N 1 3 186.299 0.474 10 0 ACAEHO COCCN[C@H]1CCC[C@@H]1C[NH3+] 84217325 572512203 /nfs/dbraw/zinc/51/22/03/572512203.db2.gz ADZQHZPVHVLKHK-BDAKNGLRSA-N 1 3 172.272 0.350 10 0 ACAEHO COCC[NH2+][C@H]1CCC[C@@H]1CN 84217325 572512207 /nfs/dbraw/zinc/51/22/07/572512207.db2.gz ADZQHZPVHVLKHK-BDAKNGLRSA-N 1 3 172.272 0.350 10 0 ACAEHO CC1(C)C[C@H]1NCCC[NH3+] 45137744 572516051 /nfs/dbraw/zinc/51/60/51/572516051.db2.gz KEPNMVWGBXNGFB-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO NC[C@@H]1CCCC[C@H]1[NH2+]CCO 84215870 572512398 /nfs/dbraw/zinc/51/23/98/572512398.db2.gz IAGNHXMTOGBWTN-DTWKUNHWSA-N 1 3 172.272 0.086 10 0 ACAEHO NC[C@H]1CCCC[C@H]1[NH2+]CCCO 84215766 572512402 /nfs/dbraw/zinc/51/24/02/572512402.db2.gz OAOZWOPPTZEIID-NXEZZACHSA-N 1 3 186.299 0.476 10 0 ACAEHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCO 84215764 572512415 /nfs/dbraw/zinc/51/24/15/572512415.db2.gz OAOZWOPPTZEIID-ZJUUUORDSA-N 1 3 186.299 0.476 10 0 ACAEHO NC[C@H]1CCCC[C@H]1[NH2+]CCO 84215872 572512446 /nfs/dbraw/zinc/51/24/46/572512446.db2.gz IAGNHXMTOGBWTN-RKDXNWHRSA-N 1 3 172.272 0.086 10 0 ACAEHO COCCN[C@H]1CCC[C@H]1C[NH3+] 84217330 572512504 /nfs/dbraw/zinc/51/25/04/572512504.db2.gz ADZQHZPVHVLKHK-IUCAKERBSA-N 1 3 172.272 0.350 10 0 ACAEHO COCC[NH2+][C@H]1CCC[C@H]1CN 84217330 572512505 /nfs/dbraw/zinc/51/25/05/572512505.db2.gz ADZQHZPVHVLKHK-IUCAKERBSA-N 1 3 172.272 0.350 10 0 ACAEHO NC[C@H]1CCCC[C@@H]1[NH2+]CCO 84215871 572512519 /nfs/dbraw/zinc/51/25/19/572512519.db2.gz IAGNHXMTOGBWTN-BDAKNGLRSA-N 1 3 172.272 0.086 10 0 ACAEHO C[N@H+](CCCO)[C@H]1CCC[C@@H]1CN 84214025 572512851 /nfs/dbraw/zinc/51/28/51/572512851.db2.gz MROMJPWZRDLCHD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[N@@H+](CCCO)[C@H]1CCC[C@@H]1CN 84214025 572512859 /nfs/dbraw/zinc/51/28/59/572512859.db2.gz MROMJPWZRDLCHD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCCO)[C@H]1CCC[C@@H]1C[NH3+] 84214025 572512863 /nfs/dbraw/zinc/51/28/63/572512863.db2.gz MROMJPWZRDLCHD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO COC[C@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 87495306 572512874 /nfs/dbraw/zinc/51/28/74/572512874.db2.gz PWLGPPCISVFXJN-MWLCHTKSSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@H](C1CC1)[N@H+]1CC[C@H](CN)C1 87495306 572512879 /nfs/dbraw/zinc/51/28/79/572512879.db2.gz PWLGPPCISVFXJN-MWLCHTKSSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@](C[NH3+])(NC(C)C)C1CC1 87482627 572513137 /nfs/dbraw/zinc/51/31/37/572513137.db2.gz PSLZRDLAIWNNOB-JTQLQIEISA-N 1 3 186.299 0.738 10 0 ACAEHO COCCN[C@@H]1CCC[C@H]1C[NH3+] 84217328 572513267 /nfs/dbraw/zinc/51/32/67/572513267.db2.gz ADZQHZPVHVLKHK-DTWKUNHWSA-N 1 3 172.272 0.350 10 0 ACAEHO COCC[NH2+][C@@H]1CCC[C@H]1CN 84217328 572513270 /nfs/dbraw/zinc/51/32/70/572513270.db2.gz ADZQHZPVHVLKHK-DTWKUNHWSA-N 1 3 172.272 0.350 10 0 ACAEHO COC[C@@H](C1CC1)N1CCC([NH3+])CC1 87495256 572513335 /nfs/dbraw/zinc/51/33/35/572513335.db2.gz NISPAWUKBWOAAO-NSHDSACASA-N 1 3 198.310 0.835 10 0 ACAEHO COC[C@@](C[NH3+])(NC(C)C)C(C)C 87482621 572513395 /nfs/dbraw/zinc/51/33/95/572513395.db2.gz WSDGVVOAYMNIHI-SNVBAGLBSA-N 1 3 188.315 0.984 10 0 ACAEHO C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1CN 84215974 572513482 /nfs/dbraw/zinc/51/34/82/572513482.db2.gz KKEQOCMPGZLKLI-OPRDCNLKSA-N 1 3 186.299 0.474 10 0 ACAEHO CCN[C@@](C[NH3+])(COC)C1CC1 87482603 572513547 /nfs/dbraw/zinc/51/35/47/572513547.db2.gz HWBVRSDPLDXOKJ-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO CN(C)CCN[C@H]1CCC[C@H]1C[NH3+] 84217202 572513555 /nfs/dbraw/zinc/51/35/55/572513555.db2.gz JPNQWJSWSVCGGD-UWVGGRQHSA-N 1 3 185.315 0.265 10 0 ACAEHO COC[C@](C[NH3+])(NCC1CC1)C1CC1 87494547 572513582 /nfs/dbraw/zinc/51/35/82/572513582.db2.gz WXEYZRAGGMFTPM-NSHDSACASA-N 1 3 198.310 0.740 10 0 ACAEHO CCCN[C@](C[NH3+])(COC)C1CC1 87482617 572513753 /nfs/dbraw/zinc/51/37/53/572513753.db2.gz QSYZGTFZQMJYOP-SNVBAGLBSA-N 1 3 186.299 0.740 10 0 ACAEHO COC[C@H](C1CC1)N1CCC([NH3+])CC1 87495257 572513851 /nfs/dbraw/zinc/51/38/51/572513851.db2.gz NISPAWUKBWOAAO-LLVKDONJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([NH3+])CN[C@H]1CC1(C)C 45137904 572515628 /nfs/dbraw/zinc/51/56/28/572515628.db2.gz DIMLNWHBQISREJ-BQBZGAKWSA-N 1 3 142.246 0.722 10 0 ACAEHO COCCN[C@@H]1CCC[C@@H]1C[NH3+] 84217322 572513885 /nfs/dbraw/zinc/51/38/85/572513885.db2.gz ADZQHZPVHVLKHK-RKDXNWHRSA-N 1 3 172.272 0.350 10 0 ACAEHO COCC[NH2+][C@@H]1CCC[C@@H]1CN 84217322 572513891 /nfs/dbraw/zinc/51/38/91/572513891.db2.gz ADZQHZPVHVLKHK-RKDXNWHRSA-N 1 3 172.272 0.350 10 0 ACAEHO COC[C@@H](C1CC1)[N@@H+]1CC[C@H](CN)C1 87495304 572513944 /nfs/dbraw/zinc/51/39/44/572513944.db2.gz PWLGPPCISVFXJN-KOLCDFICSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@@H](C1CC1)[N@H+]1CC[C@H](CN)C1 87495304 572513946 /nfs/dbraw/zinc/51/39/46/572513946.db2.gz PWLGPPCISVFXJN-KOLCDFICSA-N 1 3 198.310 0.692 10 0 ACAEHO CCN[C@](C[NH3+])(COC)C(C)C 87482601 572514344 /nfs/dbraw/zinc/51/43/44/572514344.db2.gz SLULKOKJSRZZDB-SECBINFHSA-N 1 3 174.288 0.596 10 0 ACAEHO C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN 84218793 572514643 /nfs/dbraw/zinc/51/46/43/572514643.db2.gz PZESOEAAJBAWES-DJLDLDEBSA-N 1 3 172.272 0.084 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1CN 84218269 572514673 /nfs/dbraw/zinc/51/46/73/572514673.db2.gz BMWCDSOXGSZTCE-KXUCPTDWSA-N 1 3 186.299 0.474 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]CCCO 84218221 572514712 /nfs/dbraw/zinc/51/47/12/572514712.db2.gz QNTSQXXDTKKASP-BDAKNGLRSA-N 1 3 172.272 0.086 10 0 ACAEHO CC1(C)C[C@@H]1NCC[NH3+] 45137728 572514765 /nfs/dbraw/zinc/51/47/65/572514765.db2.gz XXOQNNRGOUQCAI-LURJTMIESA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN 84218798 572514772 /nfs/dbraw/zinc/51/47/72/572514772.db2.gz PZESOEAAJBAWES-YIZRAAEISA-N 1 3 172.272 0.084 10 0 ACAEHO C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CN 84218816 572514832 /nfs/dbraw/zinc/51/48/32/572514832.db2.gz VHJGYQVHZVKROZ-HLTSFMKQSA-N 1 3 172.272 0.084 10 0 ACAEHO CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CN 84218273 572514879 /nfs/dbraw/zinc/51/48/79/572514879.db2.gz BMWCDSOXGSZTCE-OPRDCNLKSA-N 1 3 186.299 0.474 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]CCCO 84218213 572514972 /nfs/dbraw/zinc/51/49/72/572514972.db2.gz QNTSQXXDTKKASP-RKDXNWHRSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CN 84218808 572515024 /nfs/dbraw/zinc/51/50/24/572515024.db2.gz VHJGYQVHZVKROZ-IWSPIJDZSA-N 1 3 172.272 0.084 10 0 ACAEHO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN 84217456 572515038 /nfs/dbraw/zinc/51/50/38/572515038.db2.gz PUHAFANZSLOHEA-IVZWLZJFSA-N 1 3 186.299 0.738 10 0 ACAEHO COC[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] 84217456 572515039 /nfs/dbraw/zinc/51/50/39/572515039.db2.gz PUHAFANZSLOHEA-IVZWLZJFSA-N 1 3 186.299 0.738 10 0 ACAEHO CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CN 84218280 572515047 /nfs/dbraw/zinc/51/50/47/572515047.db2.gz BMWCDSOXGSZTCE-BBBLOLIVSA-N 1 3 186.299 0.474 10 0 ACAEHO CCN[C@@](C[NH3+])(COC)C(C)C 87482599 572515226 /nfs/dbraw/zinc/51/52/26/572515226.db2.gz SLULKOKJSRZZDB-VIFPVBQESA-N 1 3 174.288 0.596 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCOC1 84219971 572515150 /nfs/dbraw/zinc/51/51/50/572515150.db2.gz CSNFXKJPKYQDTF-DCAQKATOSA-N 1 3 198.310 0.740 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]CCCN 45137742 572515213 /nfs/dbraw/zinc/51/52/13/572515213.db2.gz KEPNMVWGBXNGFB-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO CC1(C)C[C@@H]1NCCC[NH3+] 45137742 572515214 /nfs/dbraw/zinc/51/52/14/572515214.db2.gz KEPNMVWGBXNGFB-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO COC[C@@](C[NH3+])(NCC1CC1)C1CC1 87494548 572515388 /nfs/dbraw/zinc/51/53/88/572515388.db2.gz WXEYZRAGGMFTPM-LLVKDONJSA-N 1 3 198.310 0.740 10 0 ACAEHO COC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN 84217460 572515528 /nfs/dbraw/zinc/51/55/28/572515528.db2.gz PUHAFANZSLOHEA-AEJSXWLSSA-N 1 3 186.299 0.738 10 0 ACAEHO COC[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] 84217460 572515532 /nfs/dbraw/zinc/51/55/32/572515532.db2.gz PUHAFANZSLOHEA-AEJSXWLSSA-N 1 3 186.299 0.738 10 0 ACAEHO CCN[C@](C[NH3+])(COC)C1CC1 87482606 572515661 /nfs/dbraw/zinc/51/56/61/572515661.db2.gz HWBVRSDPLDXOKJ-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCOC1 84219966 572515813 /nfs/dbraw/zinc/51/58/13/572515813.db2.gz CSNFXKJPKYQDTF-GARJFASQSA-N 1 3 198.310 0.740 10 0 ACAEHO CC1(C)C[C@H]1NCC[NH3+] 45137730 572515943 /nfs/dbraw/zinc/51/59/43/572515943.db2.gz XXOQNNRGOUQCAI-ZCFIWIBFSA-N 1 3 128.219 0.333 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]CCCO 84218218 572516008 /nfs/dbraw/zinc/51/60/08/572516008.db2.gz QNTSQXXDTKKASP-DTWKUNHWSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@H]([NH3+])CN[C@@H]1CC1(C)C 45137900 572516080 /nfs/dbraw/zinc/51/60/80/572516080.db2.gz DIMLNWHBQISREJ-NKWVEPMBSA-N 1 3 142.246 0.722 10 0 ACAEHO COC[C@H](C1CC1)[N@@H+]1CCC[C@H](N)C1 87495276 572516096 /nfs/dbraw/zinc/51/60/96/572516096.db2.gz DXYDSFQMHDGAPL-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO COC[C@H](C1CC1)[N@H+]1CCC[C@H](N)C1 87495276 572516098 /nfs/dbraw/zinc/51/60/98/572516098.db2.gz DXYDSFQMHDGAPL-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CN[C@@](C[NH3+])(COC)C(C)C 87482591 572516128 /nfs/dbraw/zinc/51/61/28/572516128.db2.gz CDUURXJPJCKTMY-QMMMGPOBSA-N 1 3 160.261 0.206 10 0 ACAEHO COC[C@@H](C1CC1)[N@@H+]1CCC[C@H](N)C1 87495275 572516157 /nfs/dbraw/zinc/51/61/57/572516157.db2.gz DXYDSFQMHDGAPL-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO COC[C@@H](C1CC1)[N@H+]1CCC[C@H](N)C1 87495275 572516161 /nfs/dbraw/zinc/51/61/61/572516161.db2.gz DXYDSFQMHDGAPL-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1CN 84218277 572516270 /nfs/dbraw/zinc/51/62/70/572516270.db2.gz BMWCDSOXGSZTCE-UTLUCORTSA-N 1 3 186.299 0.474 10 0 ACAEHO COC[C@@](C[NH3+])(NC(C)C)C1CC1 87482630 572516372 /nfs/dbraw/zinc/51/63/72/572516372.db2.gz PSLZRDLAIWNNOB-SNVBAGLBSA-N 1 3 186.299 0.738 10 0 ACAEHO CCCN[C@@](C[NH3+])(COC)C1CC1 87482614 572516484 /nfs/dbraw/zinc/51/64/84/572516484.db2.gz QSYZGTFZQMJYOP-JTQLQIEISA-N 1 3 186.299 0.740 10 0 ACAEHO COC[C@](C[NH3+])(NC(C)C)C(C)C 87482624 572516588 /nfs/dbraw/zinc/51/65/88/572516588.db2.gz WSDGVVOAYMNIHI-JTQLQIEISA-N 1 3 188.315 0.984 10 0 ACAEHO CNC[C@H]1C[N@@H+](C(C)(C)C)CCN1C 250686498 572517886 /nfs/dbraw/zinc/51/78/86/572517886.db2.gz GZCRDMSBVKDRJV-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CNC[C@H]1C[N@H+](C(C)(C)C)CCN1C 250686498 572517889 /nfs/dbraw/zinc/51/78/89/572517889.db2.gz GZCRDMSBVKDRJV-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CN(C)CCO[C@@H]1CCC[C@@H]1C[NH3+] 84240773 572518152 /nfs/dbraw/zinc/51/81/52/572518152.db2.gz XYQISKIFHVXQLQ-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CN1CCCC[C@H]1[C@H](C[NH3+])N1CCC1 250649892 572518258 /nfs/dbraw/zinc/51/82/58/572518258.db2.gz WLAPAXSJRVSPOI-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO Cc1cn(CC[NH+]2CCCC2)c(N)n1 235950381 572518966 /nfs/dbraw/zinc/51/89/66/572518966.db2.gz PWJWVPPDSHEFJA-UHFFFAOYSA-N 1 3 194.282 0.870 10 0 ACAEHO CN(C)CCO[C@@H]1CCC[C@H]1C[NH3+] 84240780 572519133 /nfs/dbraw/zinc/51/91/33/572519133.db2.gz XYQISKIFHVXQLQ-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](N)c1ncnc2c1C[N@H+](C)CC2 74268704 572519623 /nfs/dbraw/zinc/51/96/23/572519623.db2.gz AZUGDEVTDAZJAW-ZETCQYMHSA-N 1 3 192.266 0.484 10 0 ACAEHO C[C@H](N)c1ncnc2c1C[N@@H+](C)CC2 74268704 572519627 /nfs/dbraw/zinc/51/96/27/572519627.db2.gz AZUGDEVTDAZJAW-ZETCQYMHSA-N 1 3 192.266 0.484 10 0 ACAEHO CN(C)CCO[C@H]1CCC[C@H]1C[NH3+] 84240783 572519675 /nfs/dbraw/zinc/51/96/75/572519675.db2.gz XYQISKIFHVXQLQ-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO CN1CCCC[C@@H]1[C@H](C[NH3+])N1CCC1 250649891 572520577 /nfs/dbraw/zinc/52/05/77/572520577.db2.gz WLAPAXSJRVSPOI-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@@H](C(N)=[NH2+])N1CC[C@H](N(C)C)C1 62965960 572520704 /nfs/dbraw/zinc/52/07/04/572520704.db2.gz FHJUTGUAXGGHSM-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO CC[C@@H](C)N1CCO[C@@H](CC[NH3+])C1 238284547 572520808 /nfs/dbraw/zinc/52/08/08/572520808.db2.gz RKIRGNGFDFYFAJ-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CN1CC[C@@H]2CC[NH2+][C@H]2CC1 250664701 572521277 /nfs/dbraw/zinc/52/12/77/572521277.db2.gz ZLYGORVMSIGEEK-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H](C[NH3+])Nc1cnccc1N(C)C 235118258 572521608 /nfs/dbraw/zinc/52/16/08/572521608.db2.gz FAJNQZAKTDAGBF-QMMMGPOBSA-N 1 3 194.282 0.907 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@@H]2CCSC[C@H]21 250664133 572521700 /nfs/dbraw/zinc/52/17/00/572521700.db2.gz ZITLECYRAZXDQZ-XHNCKOQMSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCSC[C@H]21 250664133 572521704 /nfs/dbraw/zinc/52/17/04/572521704.db2.gz ZITLECYRAZXDQZ-XHNCKOQMSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCSC[C@H]21 250664133 572521708 /nfs/dbraw/zinc/52/17/08/572521708.db2.gz ZITLECYRAZXDQZ-XHNCKOQMSA-N 1 3 186.324 0.628 10 0 ACAEHO CN1C[C@H]([NH3+])[C@@H](Nc2ccncc2)C1 250653024 572522149 /nfs/dbraw/zinc/52/21/49/572522149.db2.gz XEZMYPCQCIWHRL-UWVGGRQHSA-N 1 3 192.266 0.135 10 0 ACAEHO CN1CC[C@@H](C2CC2)[C@@H](C[NH3+])C1 250652578 572522233 /nfs/dbraw/zinc/52/22/33/572522233.db2.gz XBNYRWYLGGHXDL-UWVGGRQHSA-N 1 3 168.284 0.923 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N2CCC[C@H]2CO)C1 250698131 572522260 /nfs/dbraw/zinc/52/22/60/572522260.db2.gz CBHRLXUUQAJRNV-MXWKQRLJSA-N 1 3 198.310 0.584 10 0 ACAEHO CN1CC[C@@H]2[NH2+]CC[C@@H]2CC1 250664698 572522397 /nfs/dbraw/zinc/52/23/97/572522397.db2.gz ZLYGORVMSIGEEK-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@H](C2CC2)[C@@H](C[NH3+])C1 250652579 572523578 /nfs/dbraw/zinc/52/35/78/572523578.db2.gz XBNYRWYLGGHXDL-VHSXEESVSA-N 1 3 168.284 0.923 10 0 ACAEHO C[N@@H+]1CCCN(C2CC2)[C@@H](CN)C1 250663720 572522752 /nfs/dbraw/zinc/52/27/52/572522752.db2.gz ZHHBHNLLBKIGMQ-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO C[N@H+]1CCCN(C2CC2)[C@@H](CN)C1 250663720 572522754 /nfs/dbraw/zinc/52/27/54/572522754.db2.gz ZHHBHNLLBKIGMQ-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C)[C@@H](C[NH3+])[C@H]1CCCCN1C 250666425 572523507 /nfs/dbraw/zinc/52/35/07/572523507.db2.gz ZTZJQQXDMNYXSH-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@@H]2CCOC[C@H]2C1 250667178 572523830 /nfs/dbraw/zinc/52/38/30/572523830.db2.gz ZYZZHSWXUBWSTD-AEJSXWLSSA-N 1 3 184.283 0.159 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@H]2CCSC[C@H]21 250664130 572523871 /nfs/dbraw/zinc/52/38/71/572523871.db2.gz ZITLECYRAZXDQZ-DJLDLDEBSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCSC[C@H]21 250664130 572523873 /nfs/dbraw/zinc/52/38/73/572523873.db2.gz ZITLECYRAZXDQZ-DJLDLDEBSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@H]2CCSC[C@H]21 250664130 572523876 /nfs/dbraw/zinc/52/38/76/572523876.db2.gz ZITLECYRAZXDQZ-DJLDLDEBSA-N 1 3 186.324 0.628 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N2CCC[C@H]2CO)C1 250698133 572524138 /nfs/dbraw/zinc/52/41/38/572524138.db2.gz CBHRLXUUQAJRNV-VWYCJHECSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@@H]2CCSC[C@@H]21 250664127 572524215 /nfs/dbraw/zinc/52/42/15/572524215.db2.gz ZITLECYRAZXDQZ-CIUDSAMLSA-N 1 3 186.324 0.628 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@@H]2CCSC[C@@H]21 250664127 572524209 /nfs/dbraw/zinc/52/42/09/572524209.db2.gz ZITLECYRAZXDQZ-CIUDSAMLSA-N 1 3 186.324 0.628 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@@H]2CCSC[C@@H]21 250664127 572524212 /nfs/dbraw/zinc/52/42/12/572524212.db2.gz ZITLECYRAZXDQZ-CIUDSAMLSA-N 1 3 186.324 0.628 10 0 ACAEHO Cn1c([C@H]([NH3+])CO)cc2cnccc21 74272454 572524540 /nfs/dbraw/zinc/52/45/40/572524540.db2.gz WJFPSZQOUMOUGO-MRVPVSSYSA-N 1 3 191.234 0.565 10 0 ACAEHO CN1C[C@H](Nc2ccncc2)[C@H]([NH3+])C1 250653025 572524691 /nfs/dbraw/zinc/52/46/91/572524691.db2.gz XEZMYPCQCIWHRL-ZJUUUORDSA-N 1 3 192.266 0.135 10 0 ACAEHO CN(C)[C@@H](C[NH3+])[C@@H]1CCCCN1C 250666424 572525009 /nfs/dbraw/zinc/52/50/09/572525009.db2.gz ZTZJQQXDMNYXSH-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN1C[C@H]2[C@@H](C1)[C@]2(C[NH3+])c1ccco1 250657376 572525115 /nfs/dbraw/zinc/52/51/15/572525115.db2.gz YBAUVTDNDPCZPU-JZYVYDRUSA-N 1 3 192.262 0.668 10 0 ACAEHO Cn1c([C@@H]([NH3+])CO)cc2cnccc21 74272457 572525930 /nfs/dbraw/zinc/52/59/30/572525930.db2.gz WJFPSZQOUMOUGO-QMMMGPOBSA-N 1 3 191.234 0.565 10 0 ACAEHO N[C@H]1CC[N@@H+]2C[C@H]3C[C@H]3[C@H]2C1 250842291 572526441 /nfs/dbraw/zinc/52/64/41/572526441.db2.gz MGAOAGLXYJONRJ-BZNPZCIMSA-N 1 3 152.241 0.428 10 0 ACAEHO N[C@H]1CC[N@H+]2C[C@H]3C[C@H]3[C@H]2C1 250842291 572526443 /nfs/dbraw/zinc/52/64/43/572526443.db2.gz MGAOAGLXYJONRJ-BZNPZCIMSA-N 1 3 152.241 0.428 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@H]2CCOC[C@@H]2C1 250667186 572526827 /nfs/dbraw/zinc/52/68/27/572526827.db2.gz ZYZZHSWXUBWSTD-LPEHRKFASA-N 1 3 184.283 0.159 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@@H]2CCOC[C@@H]2C1 250667180 572527079 /nfs/dbraw/zinc/52/70/79/572527079.db2.gz ZYZZHSWXUBWSTD-GUBZILKMSA-N 1 3 184.283 0.159 10 0 ACAEHO N[C@H]1CC[N@@H+]2C[C@H]3C[C@H]3[C@@H]2C1 250842292 572527718 /nfs/dbraw/zinc/52/77/18/572527718.db2.gz MGAOAGLXYJONRJ-XAVMHZPKSA-N 1 3 152.241 0.428 10 0 ACAEHO N[C@H]1CC[N@H+]2C[C@H]3C[C@H]3[C@@H]2C1 250842292 572527722 /nfs/dbraw/zinc/52/77/22/572527722.db2.gz MGAOAGLXYJONRJ-XAVMHZPKSA-N 1 3 152.241 0.428 10 0 ACAEHO C1CN([C@@H]2CCN([C@H]3CC[NH2+]C3)C2)C1 250837028 572527953 /nfs/dbraw/zinc/52/79/53/572527953.db2.gz KZQNUMRYLCPKAU-WDEREUQCSA-N 1 3 195.310 0.128 10 0 ACAEHO CN1C[C@H](C[NH3+])[C@H]2CCOC[C@H]2C1 250667183 572527975 /nfs/dbraw/zinc/52/79/75/572527975.db2.gz ZYZZHSWXUBWSTD-IVZWLZJFSA-N 1 3 184.283 0.159 10 0 ACAEHO CN1NC(=C2C=C[NH+]=C2)C(CN)C1=O 250832793 572528572 /nfs/dbraw/zinc/52/85/72/572528572.db2.gz DMVNRRCPDWDABW-UHFFFAOYSA-N 1 3 192.222 0.580 10 0 ACAEHO C1CN([C@H]2CCN([C@H]3CC[NH2+]C3)C2)C1 250837025 572528858 /nfs/dbraw/zinc/52/88/58/572528858.db2.gz KZQNUMRYLCPKAU-QWRGUYRKSA-N 1 3 195.310 0.128 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N2CCC[C@@H](O)C2)C1 250722161 572529649 /nfs/dbraw/zinc/52/96/49/572529649.db2.gz ILRNZDRJGUZEDB-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[NH2+]CC[C@@H]1CN(C)CCN1C(C)C 250740198 572529841 /nfs/dbraw/zinc/52/98/41/572529841.db2.gz LBPYLLLHTUHICT-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 250731568 572530854 /nfs/dbraw/zinc/53/08/54/572530854.db2.gz KPYVPBLUEGGFFH-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N2CC[C@@H](O)C2)C1 250729919 572531007 /nfs/dbraw/zinc/53/10/07/572531007.db2.gz KGHZZUORPVTUDT-OPRDCNLKSA-N 1 3 184.283 0.194 10 0 ACAEHO CC(C)N1CCN(C)[C@@H](CC[NH3+])C1 250763712 572531140 /nfs/dbraw/zinc/53/11/40/572531140.db2.gz QTTQORJFQIVKSO-JTQLQIEISA-N 1 3 185.315 0.360 10 0 ACAEHO C[NH2+][C@@H]1CCCN2CCC[C@@H]12 250770505 572531286 /nfs/dbraw/zinc/53/12/86/572531286.db2.gz USDUKZHKJLLHBL-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@@H]1CCC[N@@H+]2CCC[C@@H]12 250770505 572531289 /nfs/dbraw/zinc/53/12/89/572531289.db2.gz USDUKZHKJLLHBL-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@@H]1CCC[N@H+]2CCC[C@@H]12 250770505 572531293 /nfs/dbraw/zinc/53/12/93/572531293.db2.gz USDUKZHKJLLHBL-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N2CCC[C@@H](O)C2)C1 250722163 572531513 /nfs/dbraw/zinc/53/15/13/572531513.db2.gz ILRNZDRJGUZEDB-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO CC(C)N1CCCN(C)C[C@H]1C[NH3+] 250766895 572531830 /nfs/dbraw/zinc/53/18/30/572531830.db2.gz RRFOVLDGKKGRAW-SNVBAGLBSA-N 1 3 185.315 0.360 10 0 ACAEHO C1C[N@@H+]2CC[C@@H]3CNC[C@H]1[C@H]32 250884370 572531951 /nfs/dbraw/zinc/53/19/51/572531951.db2.gz WEYFTFQRQWENQT-BRPSZJMVSA-N 1 3 152.241 0.300 10 0 ACAEHO C1C[N@H+]2CC[C@@H]3CNC[C@H]1[C@H]32 250884370 572531953 /nfs/dbraw/zinc/53/19/53/572531953.db2.gz WEYFTFQRQWENQT-BRPSZJMVSA-N 1 3 152.241 0.300 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N2CC[C@@H](O)C2)C1 250729916 572531959 /nfs/dbraw/zinc/53/19/59/572531959.db2.gz KGHZZUORPVTUDT-KXUCPTDWSA-N 1 3 184.283 0.194 10 0 ACAEHO CN1CCCN(C(C)(C)C)[C@H](C[NH3+])C1 250716178 572532489 /nfs/dbraw/zinc/53/24/89/572532489.db2.gz UBTDAPHYNGQANY-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CC[N@@H+](C(C)(C)C)C[C@@H]1CN 250720015 572533105 /nfs/dbraw/zinc/53/31/05/572533105.db2.gz UYUBXCNBJFERLF-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@H]1N1CC[C@@H](O)C1 250731569 572532880 /nfs/dbraw/zinc/53/28/80/572532880.db2.gz KPYVPBLUEGGFFH-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]([NH3+])CCNc1nccn1C 63171509 572533012 /nfs/dbraw/zinc/53/30/12/572533012.db2.gz FZYPJOOMMQXZCK-SSDOTTSWSA-N 1 3 168.244 0.569 10 0 ACAEHO CN1CC[N@H+](C(C)(C)C)C[C@@H]1CN 250720015 572533107 /nfs/dbraw/zinc/53/31/07/572533107.db2.gz UYUBXCNBJFERLF-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@@H](N2CC[C@@H](O)C2)C1 250787394 572534533 /nfs/dbraw/zinc/53/45/33/572534533.db2.gz ZVYFFYSIAACQFX-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]([NH3+])CCNc1nccn1C 63171508 572534026 /nfs/dbraw/zinc/53/40/26/572534026.db2.gz FZYPJOOMMQXZCK-ZETCQYMHSA-N 1 3 168.244 0.569 10 0 ACAEHO C[C@H](NCC(C)(C)O)[C@@H]1CC[NH2+]C1 400348299 572534644 /nfs/dbraw/zinc/53/46/44/572534644.db2.gz IRKOSQZKXGOECO-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO [NH3+][C@H]1CCN(C2CC2)CC[C@@H]1CO 250976003 572534787 /nfs/dbraw/zinc/53/47/87/572534787.db2.gz AUFUOHLXCOOKLV-SCZZXKLOSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+][C@]1(CO)CCN2CCCC[C@@H]2C1 250793891 572535169 /nfs/dbraw/zinc/53/51/69/572535169.db2.gz ABXWHAHGRHNBMU-NXEZZACHSA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N 63196207 572536327 /nfs/dbraw/zinc/53/63/27/572536327.db2.gz OVUDETBHGCFJCG-OPRDCNLKSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)N 63196207 572536330 /nfs/dbraw/zinc/53/63/30/572536330.db2.gz OVUDETBHGCFJCG-OPRDCNLKSA-N 1 3 186.299 0.569 10 0 ACAEHO [NH3+][C@H]1CCN(C2CC2)CC[C@H]1CO 250976004 572536334 /nfs/dbraw/zinc/53/63/34/572536334.db2.gz AUFUOHLXCOOKLV-WPRPVWTQSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@H](NCC(C)(C)O)[C@H]1CC[NH2+]C1 400348300 572536384 /nfs/dbraw/zinc/53/63/84/572536384.db2.gz IRKOSQZKXGOECO-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@H](N2CC[C@@H](O)C2)C1 250787399 572536506 /nfs/dbraw/zinc/53/65/06/572536506.db2.gz ZVYFFYSIAACQFX-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO [NH3+][C@@]1(CO)CCN2CCCC[C@@H]2C1 250793892 572536551 /nfs/dbraw/zinc/53/65/51/572536551.db2.gz ABXWHAHGRHNBMU-ZJUUUORDSA-N 1 3 184.283 0.325 10 0 ACAEHO OC[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]1 250985997 572537512 /nfs/dbraw/zinc/53/75/12/572537512.db2.gz BXPQPDWLWIJLFY-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@H]1C[C@](N)(CO)C[C@@H](C)[N@@H+]1C 250914721 572538037 /nfs/dbraw/zinc/53/80/37/572538037.db2.gz WMANCTJOLTVAQA-BRPSZJMVSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@](N)(CO)C[C@@H](C)[N@H+]1C 250914721 572538044 /nfs/dbraw/zinc/53/80/44/572538044.db2.gz WMANCTJOLTVAQA-BRPSZJMVSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@]([NH3+])(CCO)C[C@@H](C)N1C 250911723 572538174 /nfs/dbraw/zinc/53/81/74/572538174.db2.gz VGHXQSDJODDUDW-MYJAWHEDSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1C[C@@](N)(CO)C[C@@H](C)[N@@H+]1C 250914718 572538612 /nfs/dbraw/zinc/53/86/12/572538612.db2.gz WMANCTJOLTVAQA-AYMMMOKOSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@](N)(CO)C[C@@H](C)[N@H+]1C 250914718 572538615 /nfs/dbraw/zinc/53/86/15/572538615.db2.gz WMANCTJOLTVAQA-AYMMMOKOSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@]([NH3+])(CCO)C[C@@H](C)N1C 250911720 572538822 /nfs/dbraw/zinc/53/88/22/572538822.db2.gz VGHXQSDJODDUDW-ILWJIGKKSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1C[C@@]2(CNCCO2)C[C@@H](C)[N@@H+]1C 250913242 572538894 /nfs/dbraw/zinc/53/88/94/572538894.db2.gz WARKQJZNFOCHHN-JGPRNRPPSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1C[C@@]2(CNCCO2)C[C@@H](C)[N@H+]1C 250913242 572538899 /nfs/dbraw/zinc/53/88/99/572538899.db2.gz WARKQJZNFOCHHN-JGPRNRPPSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H](NCC(C)(C)O)[C@@H]1CC[NH2+]C1 400348482 572538977 /nfs/dbraw/zinc/53/89/77/572538977.db2.gz IRKOSQZKXGOECO-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]1C[C@]2(CNCCO2)C[C@@H](C)[N@@H+]1C 250913248 572539287 /nfs/dbraw/zinc/53/92/87/572539287.db2.gz WARKQJZNFOCHHN-URLYPYJESA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1C[C@]2(CNCCO2)C[C@@H](C)[N@H+]1C 250913248 572539291 /nfs/dbraw/zinc/53/92/91/572539291.db2.gz WARKQJZNFOCHHN-URLYPYJESA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H](O)CN1CCCCC[C@H]1C[NH3+] 251072296 572539772 /nfs/dbraw/zinc/53/97/72/572539772.db2.gz FSGCFYKZSXEQOC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)CN1CCCCC[C@H]1C[NH3+] 251072293 572539848 /nfs/dbraw/zinc/53/98/48/572539848.db2.gz FSGCFYKZSXEQOC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]([NH3+])CN1CCCN(CC)CC1 307796309 572540353 /nfs/dbraw/zinc/54/03/53/572540353.db2.gz OFTPOTUUHZNPFZ-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@@H]([NH3+])CN1CCCN(CC)CC1 307796303 572540656 /nfs/dbraw/zinc/54/06/56/572540656.db2.gz OFTPOTUUHZNPFZ-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO C[NH2+][C@@H]1CCCN(C[C@@H](C)O)CC1 251091578 572540741 /nfs/dbraw/zinc/54/07/41/572540741.db2.gz KFLQSEKKHYBHQG-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+][C@@H]1CCCN(C[C@H](C)O)CC1 251091582 572541146 /nfs/dbraw/zinc/54/11/46/572541146.db2.gz KFLQSEKKHYBHQG-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH+](C)CCCCN1CCCNC1 238297683 572541910 /nfs/dbraw/zinc/54/19/10/572541910.db2.gz GNTODRMBXMXQLV-UHFFFAOYSA-N 1 3 185.315 0.581 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@@H]1[C@@H]1CCOC1 74282719 572542502 /nfs/dbraw/zinc/54/25/02/572542502.db2.gz RFPCCHNYPWJWGX-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1[C@@H]1CCOC1 74282719 572542506 /nfs/dbraw/zinc/54/25/06/572542506.db2.gz RFPCCHNYPWJWGX-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@@H]1[C@@H]1CCOC1 74282719 572542511 /nfs/dbraw/zinc/54/25/11/572542511.db2.gz RFPCCHNYPWJWGX-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO CCCN(C)CC[NH2+][C@H](C)CN 688686206 572543082 /nfs/dbraw/zinc/54/30/82/572543082.db2.gz KQNPYNBCVQIBEK-SECBINFHSA-N 1 3 173.304 0.265 10 0 ACAEHO CN1CC[C@]2(C[C@H](C[NH3+])CCO2)C1 74282730 572543185 /nfs/dbraw/zinc/54/31/85/572543185.db2.gz BJOZOYIGDKESNV-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H](C[NH3+])N1CC[C@@H](N2CCC2)C1 251148257 572543355 /nfs/dbraw/zinc/54/33/55/572543355.db2.gz XVZLVRZXRYSPMY-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CCCN(C)CC[NH2+][C@@H](C)CN 688686207 572543510 /nfs/dbraw/zinc/54/35/10/572543510.db2.gz KQNPYNBCVQIBEK-VIFPVBQESA-N 1 3 173.304 0.265 10 0 ACAEHO CN1C[C@@H]2[C@H](C[NH2+]C2(C)C)C1 251150715 572543788 /nfs/dbraw/zinc/54/37/88/572543788.db2.gz LDDNTXJBEGAFAC-HTQZYQBOSA-N 1 3 154.257 0.546 10 0 ACAEHO C[NH2+][C@H](C)CN1CC[C@@H](N2CCC2)C1 251146934 572544112 /nfs/dbraw/zinc/54/41/12/572544112.db2.gz XPKNYTALPOIQPB-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO NC1(CC[N@@H+]2CCC[C@@H]2CO)CC1 74282787 572544278 /nfs/dbraw/zinc/54/42/78/572544278.db2.gz QHLUBXGILZBYED-SECBINFHSA-N 1 3 184.283 0.325 10 0 ACAEHO C[NH2+][C@@H](C)CN1CC[C@@H](N2CCC2)C1 251146935 572544326 /nfs/dbraw/zinc/54/43/26/572544326.db2.gz XPKNYTALPOIQPB-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO NC1(CC[N@H+]2CCC[C@@H]2CO)CC1 74282787 572544280 /nfs/dbraw/zinc/54/42/80/572544280.db2.gz QHLUBXGILZBYED-SECBINFHSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+]C1(CCN2CCC[C@@H]2CO)CC1 74282787 572544287 /nfs/dbraw/zinc/54/42/87/572544287.db2.gz QHLUBXGILZBYED-SECBINFHSA-N 1 3 184.283 0.325 10 0 ACAEHO CN1C[C@H]2C[NH2+]C(C)(C)[C@H]2C1 251150716 572544555 /nfs/dbraw/zinc/54/45/55/572544555.db2.gz LDDNTXJBEGAFAC-SFYZADRCSA-N 1 3 154.257 0.546 10 0 ACAEHO CCCCNCc1cn(CC[NH3+])nn1 84378922 572545644 /nfs/dbraw/zinc/54/56/44/572545644.db2.gz NWBCXTIGYXRFAB-UHFFFAOYSA-N 1 3 197.286 0.127 10 0 ACAEHO C[C@H](C[NH3+])N1CC[C@@H](N2CCC2)C1 251148256 572545703 /nfs/dbraw/zinc/54/57/03/572545703.db2.gz XVZLVRZXRYSPMY-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO CC[C@@H](C)NCc1cn(CC[NH3+])nn1 84378914 572546071 /nfs/dbraw/zinc/54/60/71/572546071.db2.gz PPNSFCBHWURZGL-MRVPVSSYSA-N 1 3 197.286 0.125 10 0 ACAEHO [NH3+]C1(CCN2CCC[C@H]2CO)CC1 74282790 572546461 /nfs/dbraw/zinc/54/64/61/572546461.db2.gz QHLUBXGILZBYED-VIFPVBQESA-N 1 3 184.283 0.325 10 0 ACAEHO NC1(CC[N@@H+]2CCC[C@H]2CO)CC1 74282790 572546453 /nfs/dbraw/zinc/54/64/53/572546453.db2.gz QHLUBXGILZBYED-VIFPVBQESA-N 1 3 184.283 0.325 10 0 ACAEHO NC1(CC[N@H+]2CCC[C@H]2CO)CC1 74282790 572546457 /nfs/dbraw/zinc/54/64/57/572546457.db2.gz QHLUBXGILZBYED-VIFPVBQESA-N 1 3 184.283 0.325 10 0 ACAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CCOC1 69606369 572546651 /nfs/dbraw/zinc/54/66/51/572546651.db2.gz ZOTPGESBKRRKMP-HUAZRZQGSA-N 1 3 196.294 0.729 10 0 ACAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CCOC1 69606369 572546652 /nfs/dbraw/zinc/54/66/52/572546652.db2.gz ZOTPGESBKRRKMP-HUAZRZQGSA-N 1 3 196.294 0.729 10 0 ACAEHO CC[C@H](C)NCc1cn(CC[NH3+])nn1 84378915 572546837 /nfs/dbraw/zinc/54/68/37/572546837.db2.gz PPNSFCBHWURZGL-QMMMGPOBSA-N 1 3 197.286 0.125 10 0 ACAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606401 572546868 /nfs/dbraw/zinc/54/68/68/572546868.db2.gz NEZHZCGFBFPJLC-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606401 572546873 /nfs/dbraw/zinc/54/68/73/572546873.db2.gz NEZHZCGFBFPJLC-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@@H]([NH3+])CN(CC)CCN(C)C 688186757 572547006 /nfs/dbraw/zinc/54/70/06/572547006.db2.gz LMAVDZCGZGHEGQ-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO CC[C@H]1CCN(CCNC(N)=[NH2+])C1 238306411 572547018 /nfs/dbraw/zinc/54/70/18/572547018.db2.gz QEGOOMZSWLMWBC-QMMMGPOBSA-N 1 3 184.287 0.201 10 0 ACAEHO [NH3+]CCCCNCc1cnco1 84414264 572547058 /nfs/dbraw/zinc/54/70/58/572547058.db2.gz NDVSGWJIPAFITC-UHFFFAOYSA-N 1 3 169.228 0.503 10 0 ACAEHO CC[C@H]([NH3+])CN(CC)CCN(C)C 688186754 572547521 /nfs/dbraw/zinc/54/75/21/572547521.db2.gz LMAVDZCGZGHEGQ-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606404 572547779 /nfs/dbraw/zinc/54/77/79/572547779.db2.gz NEZHZCGFBFPJLC-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H](N)[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606404 572547781 /nfs/dbraw/zinc/54/77/81/572547781.db2.gz NEZHZCGFBFPJLC-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@H](CNC(N)=[NH2+])N(CC)CC 238306350 572547902 /nfs/dbraw/zinc/54/79/02/572547902.db2.gz WYVFGBDXZPONBN-MRVPVSSYSA-N 1 3 186.303 0.590 10 0 ACAEHO C[C@@H](O)CCN1CCC[C@@H]([NH3+])CC1 251215121 572547990 /nfs/dbraw/zinc/54/79/90/572547990.db2.gz NCICTPAINXHSJS-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)CC[N@@H+]1CCC[C@@H](N)CC1 251215121 572547995 /nfs/dbraw/zinc/54/79/95/572547995.db2.gz NCICTPAINXHSJS-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)CC[N@H+]1CCC[C@@H](N)CC1 251215121 572547999 /nfs/dbraw/zinc/54/79/99/572547999.db2.gz NCICTPAINXHSJS-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CNC1C[NH2+]C1)N1CCCCC1 84418493 572548356 /nfs/dbraw/zinc/54/83/56/572548356.db2.gz PZXSUGRWOZNPDW-SNVBAGLBSA-N 1 3 197.326 0.422 10 0 ACAEHO C[C@H](CN1CCCC1)NC1C[NH2+]C1 84418569 572548511 /nfs/dbraw/zinc/54/85/11/572548511.db2.gz BDBGPCSWGKPTGK-SECBINFHSA-N 1 3 183.299 0.032 10 0 ACAEHO CC(C)[C@H](CN(C)C)NC1C[NH2+]C1 84418576 572548596 /nfs/dbraw/zinc/54/85/96/572548596.db2.gz JAYRTWYEMBTZRZ-JTQLQIEISA-N 1 3 185.315 0.134 10 0 ACAEHO C[C@@H](CN1CCCCC1)NC1C[NH2+]C1 84418144 572549103 /nfs/dbraw/zinc/54/91/03/572549103.db2.gz DALFNTCGTWTKLY-JTQLQIEISA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)C[C@@H](CNC1C[NH2+]C1)N(C)C 84416657 572549245 /nfs/dbraw/zinc/54/92/45/572549245.db2.gz QPDLLTAIKODFFA-NSHDSACASA-N 1 3 199.342 0.524 10 0 ACAEHO C1CCCN(CCNC2C[NH2+]C2)CC1 84418540 572551085 /nfs/dbraw/zinc/55/10/85/572551085.db2.gz GKTDLVSFMGMBCM-UHFFFAOYSA-N 1 3 197.326 0.424 10 0 ACAEHO CC(C)C[C@@H](CN(C)C)NC1C[NH2+]C1 84418207 572549323 /nfs/dbraw/zinc/54/93/23/572549323.db2.gz QVPSNHZVCUEOQC-JTQLQIEISA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@H](O)CCN1CCC[C@@H]([NH3+])CC1 251215124 572549530 /nfs/dbraw/zinc/54/95/30/572549530.db2.gz NCICTPAINXHSJS-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CCC[C@@H](N)CC1 251215124 572549533 /nfs/dbraw/zinc/54/95/33/572549533.db2.gz NCICTPAINXHSJS-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)CC[N@H+]1CCC[C@@H](N)CC1 251215124 572549536 /nfs/dbraw/zinc/54/95/36/572549536.db2.gz NCICTPAINXHSJS-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CNC1C[NH2+]C1)N1CCCCC1 84418492 572549691 /nfs/dbraw/zinc/54/96/91/572549691.db2.gz PZXSUGRWOZNPDW-JTQLQIEISA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)[C@@H](CN(C)C)NC1C[NH2+]C1 84418575 572549758 /nfs/dbraw/zinc/54/97/58/572549758.db2.gz JAYRTWYEMBTZRZ-SNVBAGLBSA-N 1 3 185.315 0.134 10 0 ACAEHO C[C@@H](CN1CCCC1)NC1C[NH2+]C1 84418568 572549779 /nfs/dbraw/zinc/54/97/79/572549779.db2.gz BDBGPCSWGKPTGK-VIFPVBQESA-N 1 3 183.299 0.032 10 0 ACAEHO CCN1CCC[C@H]1CNC1C[NH2+]C1 84416176 572550342 /nfs/dbraw/zinc/55/03/42/572550342.db2.gz CWFVSABGPYHBFQ-JTQLQIEISA-N 1 3 183.299 0.032 10 0 ACAEHO C[C@H](O)CCN1CC[C@H]1CC[NH3+] 251190815 572550367 /nfs/dbraw/zinc/55/03/67/572550367.db2.gz IZBFCRNYVVVEKT-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN1CCC[C@@H]1CNC1C[NH2+]C1 84416173 572550893 /nfs/dbraw/zinc/55/08/93/572550893.db2.gz CWFVSABGPYHBFQ-SNVBAGLBSA-N 1 3 183.299 0.032 10 0 ACAEHO CCOC[C@H](C)N[C@H]1CC[C@@H]([NH3+])C1 222817265 572550957 /nfs/dbraw/zinc/55/09/57/572550957.db2.gz WWLATKCMOQOGOK-AEJSXWLSSA-N 1 3 186.299 0.881 10 0 ACAEHO CC1CCN(CCNC2C[NH2+]C2)CC1 84418541 572551074 /nfs/dbraw/zinc/55/10/74/572551074.db2.gz WTGRHKRQEPGKOO-UHFFFAOYSA-N 1 3 197.326 0.280 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CCC[C@H]1CCN 251183062 572551153 /nfs/dbraw/zinc/55/11/53/572551153.db2.gz HQWTYHHVRDCOHD-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)CC[N@H+]1CCC[C@H]1CCN 251183062 572551155 /nfs/dbraw/zinc/55/11/55/572551155.db2.gz HQWTYHHVRDCOHD-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCC[C@@H](CO)C1 251173904 572551359 /nfs/dbraw/zinc/55/13/59/572551359.db2.gz FUCOQLRKLOGQBK-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C1CCN(CCNC2C[NH2+]C2)CC1 84418596 572551868 /nfs/dbraw/zinc/55/18/68/572551868.db2.gz GKVJCEFEOFSDBI-UHFFFAOYSA-N 1 3 183.299 0.034 10 0 ACAEHO CC[C@H]1CN(CCN(C)C)[C@@H](C)C[NH2+]1 238311645 572552033 /nfs/dbraw/zinc/55/20/33/572552033.db2.gz GBWHCHBSSJKARQ-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO COC[C@H](C)C[NH2+][C@@H]1CC[C@@H](N)C1 222820339 572552094 /nfs/dbraw/zinc/55/20/94/572552094.db2.gz NJJPOKMUVAWXBR-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO CC(C)C[C@H](CN(C)C)NC1C[NH2+]C1 84418211 572552171 /nfs/dbraw/zinc/55/21/71/572552171.db2.gz QVPSNHZVCUEOQC-SNVBAGLBSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@@H](O)CC[N@@H+]1CCC[C@H]1CCN 251183067 572552211 /nfs/dbraw/zinc/55/22/11/572552211.db2.gz HQWTYHHVRDCOHD-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)CC[N@H+]1CCC[C@H]1CCN 251183067 572552216 /nfs/dbraw/zinc/55/22/16/572552216.db2.gz HQWTYHHVRDCOHD-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CCOC[C@H](C)N[C@@H]1CC[C@@H]([NH3+])C1 222817144 572552341 /nfs/dbraw/zinc/55/23/41/572552341.db2.gz WWLATKCMOQOGOK-IVZWLZJFSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCN(C)C2)C[C@@H](C)[NH2+]1 69627820 572552685 /nfs/dbraw/zinc/55/26/85/572552685.db2.gz WTGPOMMMXLYHRQ-GMTAPVOTSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H](O)CCN1CC[C@H]1CC[NH3+] 251190820 572552949 /nfs/dbraw/zinc/55/29/49/572552949.db2.gz IZBFCRNYVVVEKT-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 84446367 572553055 /nfs/dbraw/zinc/55/30/55/572553055.db2.gz FHBUYHNRMFROLZ-VGRIYTJTSA-N 1 3 198.310 0.474 10 0 ACAEHO C[C@H]([NH3+])CCN1CCC[C@@H](CO)C1 251173907 572553274 /nfs/dbraw/zinc/55/32/74/572553274.db2.gz FUCOQLRKLOGQBK-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(CCC[NH3+])CC1CC(O)C1 84451808 572558679 /nfs/dbraw/zinc/55/86/79/572558679.db2.gz AENQLNLNQPOUTQ-UHFFFAOYSA-N 1 3 172.272 0.038 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(O)C1 84446373 572553624 /nfs/dbraw/zinc/55/36/24/572553624.db2.gz FHBUYHNRMFROLZ-YIYTYNFBSA-N 1 3 198.310 0.474 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCC[C@@H](O)C1 251171266 572553788 /nfs/dbraw/zinc/55/37/88/572553788.db2.gz DZWOYHHXOFVGMD-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]([NH3+])CCN1CCC[C@@H](O)C1 251171263 572554228 /nfs/dbraw/zinc/55/42/28/572554228.db2.gz DZWOYHHXOFVGMD-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CN(C)CCN1CC[C@@H](C)[NH3+] 235150721 572554809 /nfs/dbraw/zinc/55/48/09/572554809.db2.gz MYWXCAGVNSWVKW-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N(C)CC1CC(O)C1 84452098 572557157 /nfs/dbraw/zinc/55/71/57/572557157.db2.gz LLCGNTKMHSCSIG-UEJVZZJDSA-N 1 3 199.298 0.404 10 0 ACAEHO CN(C)CCSC/C=C\C[NH3+] 307807186 572555337 /nfs/dbraw/zinc/55/53/37/572555337.db2.gz XBJMUTTVDVXNQI-ARJAWSKDSA-N 1 3 174.313 0.796 10 0 ACAEHO COC[C@H](C)C[NH2+][C@H]1CC[C@@H](N)C1 222820444 572555618 /nfs/dbraw/zinc/55/56/18/572555618.db2.gz NJJPOKMUVAWXBR-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N(C)CC1CC(O)C1 84452100 572557758 /nfs/dbraw/zinc/55/77/58/572557758.db2.gz LLCGNTKMHSCSIG-AFPNSQJFSA-N 1 3 199.298 0.404 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CC(O)C1 84446371 572555907 /nfs/dbraw/zinc/55/59/07/572555907.db2.gz FHBUYHNRMFROLZ-DJRKXVOMSA-N 1 3 198.310 0.474 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 84446369 572556023 /nfs/dbraw/zinc/55/60/23/572556023.db2.gz FHBUYHNRMFROLZ-QONHTCSSSA-N 1 3 198.310 0.474 10 0 ACAEHO C[N@H+](CCCN)CC1CC(O)C1 84451808 572558682 /nfs/dbraw/zinc/55/86/82/572558682.db2.gz AENQLNLNQPOUTQ-UHFFFAOYSA-N 1 3 172.272 0.038 10 0 ACAEHO OC1CC([NH2+]CCCN2CCCC2)C1 84443953 572556315 /nfs/dbraw/zinc/55/63/15/572556315.db2.gz OSDZJMIFZRZNMP-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO OC1CC(NCCC[NH+]2CCCC2)C1 84443953 572556320 /nfs/dbraw/zinc/55/63/20/572556320.db2.gz OSDZJMIFZRZNMP-UHFFFAOYSA-N 1 3 198.310 0.585 10 0 ACAEHO CN(C[C@H]1CCC[C@H]1O)C1CC([NH3+])C1 689741454 572556610 /nfs/dbraw/zinc/55/66/10/572556610.db2.gz BDKXDTOPMUMEQV-AGVGLQIMSA-N 1 3 198.310 0.569 10 0 ACAEHO CN(C[C@H]1CCC[C@@H]1O)C1CC([NH3+])C1 689741468 572556629 /nfs/dbraw/zinc/55/66/29/572556629.db2.gz BDKXDTOPMUMEQV-SFXRXQKFSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)CC1CC(O)C1 84451783 572556941 /nfs/dbraw/zinc/55/69/41/572556941.db2.gz DHIJXHKMVLGYIL-IDKOKCKLSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)CC1CC(O)C1 84451783 572556946 /nfs/dbraw/zinc/55/69/46/572556946.db2.gz DHIJXHKMVLGYIL-IDKOKCKLSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)CC1CC(O)C1 84451783 572556952 /nfs/dbraw/zinc/55/69/52/572556952.db2.gz DHIJXHKMVLGYIL-IDKOKCKLSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CC[C@@](C)(O)C1 235153146 572556992 /nfs/dbraw/zinc/55/69/92/572556992.db2.gz TZIWKZUMOHNSIT-IONNQARKSA-N 1 3 185.271 0.158 10 0 ACAEHO CC[C@H]1C[C@@H](C)CN1CCNC(N)=[NH2+] 238320390 572557388 /nfs/dbraw/zinc/55/73/88/572557388.db2.gz WLGXTVYLGIUPKX-BDAKNGLRSA-N 1 3 198.314 0.590 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)CC1CC(O)C1 84451799 572557731 /nfs/dbraw/zinc/55/77/31/572557731.db2.gz ALKBECUTLNRHCK-IDKOKCKLSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](CCCO)N1CCC[C@H]1C[NH3+] 308061423 572557708 /nfs/dbraw/zinc/55/77/08/572557708.db2.gz UYEQHCALPMYLCC-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)CC1CC(O)C1 84451799 572557728 /nfs/dbraw/zinc/55/77/28/572557728.db2.gz ALKBECUTLNRHCK-IDKOKCKLSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)CC1CC(O)C1 84451799 572557733 /nfs/dbraw/zinc/55/77/33/572557733.db2.gz ALKBECUTLNRHCK-IDKOKCKLSA-N 1 3 186.299 0.284 10 0 ACAEHO C[NH+](C)CCNc1cnccc1CN 84455032 572557967 /nfs/dbraw/zinc/55/79/67/572557967.db2.gz ZQGUUKFKFNWADD-UHFFFAOYSA-N 1 3 194.282 0.514 10 0 ACAEHO CC[C@H]1C[C@@H](C)N(CCNC(N)=[NH2+])C1 238320485 572558147 /nfs/dbraw/zinc/55/81/47/572558147.db2.gz YLRPENGBKOXISB-BDAKNGLRSA-N 1 3 198.314 0.590 10 0 ACAEHO C[C@H](CCCO)N1CCC[C@H]1C[NH3+] 308061424 572558556 /nfs/dbraw/zinc/55/85/56/572558556.db2.gz UYEQHCALPMYLCC-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CCN)[N@H+](C)CC1CC(O)C1 84451785 572558601 /nfs/dbraw/zinc/55/86/01/572558601.db2.gz DHIJXHKMVLGYIL-XNWIYYODSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)CC1CC(O)C1 84451785 572558604 /nfs/dbraw/zinc/55/86/04/572558604.db2.gz DHIJXHKMVLGYIL-XNWIYYODSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](CC[NH3+])N(C)CC1CC(O)C1 84451785 572558607 /nfs/dbraw/zinc/55/86/07/572558607.db2.gz DHIJXHKMVLGYIL-XNWIYYODSA-N 1 3 186.299 0.426 10 0 ACAEHO C[N@@H+](CCCN)CC1CC(O)C1 84451808 572558686 /nfs/dbraw/zinc/55/86/86/572558686.db2.gz AENQLNLNQPOUTQ-UHFFFAOYSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]([NH3+])CCN1CCC[C@H]1CO 251253884 572559020 /nfs/dbraw/zinc/55/90/20/572559020.db2.gz UYVPWZKAHCNTEH-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CN)C[N@H+](C)CC1CC(O)C1 84451802 572559028 /nfs/dbraw/zinc/55/90/28/572559028.db2.gz ALKBECUTLNRHCK-XNWIYYODSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+](C)CC1CC(O)C1 84451802 572559033 /nfs/dbraw/zinc/55/90/33/572559033.db2.gz ALKBECUTLNRHCK-XNWIYYODSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](C[NH3+])CN(C)CC1CC(O)C1 84451802 572559039 /nfs/dbraw/zinc/55/90/39/572559039.db2.gz ALKBECUTLNRHCK-XNWIYYODSA-N 1 3 186.299 0.284 10 0 ACAEHO C[NH2+]CCCN(C)CC1CC(O)C1 84452866 572559234 /nfs/dbraw/zinc/55/92/34/572559234.db2.gz AUMNNIQXCPMAML-UHFFFAOYSA-N 1 3 186.299 0.299 10 0 ACAEHO CNCCC[N@H+](C)CC1CC(O)C1 84452866 572559240 /nfs/dbraw/zinc/55/92/40/572559240.db2.gz AUMNNIQXCPMAML-UHFFFAOYSA-N 1 3 186.299 0.299 10 0 ACAEHO CNCCC[N@@H+](C)CC1CC(O)C1 84452866 572559243 /nfs/dbraw/zinc/55/92/43/572559243.db2.gz AUMNNIQXCPMAML-UHFFFAOYSA-N 1 3 186.299 0.299 10 0 ACAEHO CN1CCN(C[C@@H]2CCC[C@@H]2[NH3+])CC1 53861651 572559312 /nfs/dbraw/zinc/55/93/12/572559312.db2.gz BKAZWLWBUINWAI-QWRGUYRKSA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCN(C[C@@H]2CCC[C@H]2[NH3+])CC1 53861654 572559737 /nfs/dbraw/zinc/55/97/37/572559737.db2.gz BKAZWLWBUINWAI-WDEREUQCSA-N 1 3 197.326 0.361 10 0 ACAEHO CN(C[C@@H]1CCC[C@H]1O)C1CC([NH3+])C1 689741460 572559740 /nfs/dbraw/zinc/55/97/40/572559740.db2.gz BDKXDTOPMUMEQV-IDWGSYCQSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H](CN(C)CC1CC(O)C1)C(N)=[NH2+] 84452104 572559760 /nfs/dbraw/zinc/55/97/60/572559760.db2.gz SAFKFVFDHAPMND-UEJVZZJDSA-N 1 3 199.298 0.261 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCC[C@H]1CO 251253882 572559765 /nfs/dbraw/zinc/55/97/65/572559765.db2.gz UYVPWZKAHCNTEH-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CN(C)CC1CC(O)C1)C(N)=[NH2+] 84452105 572559800 /nfs/dbraw/zinc/55/98/00/572559800.db2.gz SAFKFVFDHAPMND-AFPNSQJFSA-N 1 3 199.298 0.261 10 0 ACAEHO CN(C[C@@H]1CCC[C@@H]1O)C1CC([NH3+])C1 689741465 572559828 /nfs/dbraw/zinc/55/98/28/572559828.db2.gz BDKXDTOPMUMEQV-PMUOWJKOSA-N 1 3 198.310 0.569 10 0 ACAEHO [NH3+]C[C@@H](O)CCN1CCC[C@H](F)C1 689468531 572563636 /nfs/dbraw/zinc/56/36/36/572563636.db2.gz GUOSZUJEDLAFAM-IUCAKERBSA-N 1 3 190.262 0.130 10 0 ACAEHO CN1CCN(C[C@H]2CCC[C@@H]2[NH3+])CC1 53861653 572560513 /nfs/dbraw/zinc/56/05/13/572560513.db2.gz BKAZWLWBUINWAI-MNOVXSKESA-N 1 3 197.326 0.361 10 0 ACAEHO CCOCCCNCC(C)(C)[NH3+] 308062192 572560574 /nfs/dbraw/zinc/56/05/74/572560574.db2.gz WVPXDUPEWWKZSR-UHFFFAOYSA-N 1 3 174.288 0.740 10 0 ACAEHO COC[C@@H](C[NH3+])SCCN(C)C 308063702 572561510 /nfs/dbraw/zinc/56/15/10/572561510.db2.gz XOOOMCRZHLFWGF-MRVPVSSYSA-N 1 3 192.328 0.255 10 0 ACAEHO CN1CCN(C[C@H]2CCC[C@H]2[NH3+])CC1 53861656 572561568 /nfs/dbraw/zinc/56/15/68/572561568.db2.gz BKAZWLWBUINWAI-GHMZBOCLSA-N 1 3 197.326 0.361 10 0 ACAEHO COC[C@H](C[NH3+])SCCN(C)C 308063703 572561662 /nfs/dbraw/zinc/56/16/62/572561662.db2.gz XOOOMCRZHLFWGF-QMMMGPOBSA-N 1 3 192.328 0.255 10 0 ACAEHO C[C@H](O)C[C@H](C)NCC(C)(C)[NH3+] 308062745 572562379 /nfs/dbraw/zinc/56/23/79/572562379.db2.gz XARUREQCMMUZIM-YUMQZZPRSA-N 1 3 174.288 0.473 10 0 ACAEHO C[NH+](C)CCCNCCn1ccnc1 84569243 572562775 /nfs/dbraw/zinc/56/27/75/572562775.db2.gz USKKUFQTJGHOCJ-UHFFFAOYSA-N 1 3 196.298 0.424 10 0 ACAEHO [NH3+]C[C@H](O)CCN1CCC[C@H](F)C1 689468529 572562924 /nfs/dbraw/zinc/56/29/24/572562924.db2.gz GUOSZUJEDLAFAM-DTWKUNHWSA-N 1 3 190.262 0.130 10 0 ACAEHO [NH3+]C[C@@H](O)CCN1CCC[C@@H](F)C1 689468528 572563555 /nfs/dbraw/zinc/56/35/55/572563555.db2.gz GUOSZUJEDLAFAM-BDAKNGLRSA-N 1 3 190.262 0.130 10 0 ACAEHO C[C@@H](O)C[C@@H](C)NCC(C)(C)[NH3+] 308062742 572563697 /nfs/dbraw/zinc/56/36/97/572563697.db2.gz XARUREQCMMUZIM-HTQZYQBOSA-N 1 3 174.288 0.473 10 0 ACAEHO C[C@@H](C[C@@H](C)O)NCC(C)(C)[NH3+] 308062743 572563902 /nfs/dbraw/zinc/56/39/02/572563902.db2.gz XARUREQCMMUZIM-JGVFFNPUSA-N 1 3 174.288 0.473 10 0 ACAEHO C[C@H](CCCO)[N@@H+]1CC[C@H](CN)C1 308063940 572564090 /nfs/dbraw/zinc/56/40/90/572564090.db2.gz XANUWULVHNTWTI-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCCO)[N@H+]1CC[C@H](CN)C1 308063940 572564091 /nfs/dbraw/zinc/56/40/91/572564091.db2.gz XANUWULVHNTWTI-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO [NH3+]C[C@H](O)CCN1CCC[C@@H](F)C1 689468533 572564619 /nfs/dbraw/zinc/56/46/19/572564619.db2.gz GUOSZUJEDLAFAM-RKDXNWHRSA-N 1 3 190.262 0.130 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])CN1CCO 69728944 572566690 /nfs/dbraw/zinc/56/66/90/572566690.db2.gz WPHPLEWRRGKZKG-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)N1C[C@@H](C)O[C@H](CC[NH3+])C1 251527620 572565627 /nfs/dbraw/zinc/56/56/27/572565627.db2.gz ANFAADWULCGLLR-NXEZZACHSA-N 1 3 186.299 0.833 10 0 ACAEHO CC(C)[C@@H]1[C@@H](O)[C@@H](CN)C[N@@H+]1C1CC1 251350797 572565714 /nfs/dbraw/zinc/56/57/14/572565714.db2.gz SIOSKHLJIXETAX-GDPRMGEGSA-N 1 3 198.310 0.425 10 0 ACAEHO CC(C)[C@@H]1[C@@H](O)[C@@H](CN)C[N@H+]1C1CC1 251350797 572565716 /nfs/dbraw/zinc/56/57/16/572565716.db2.gz SIOSKHLJIXETAX-GDPRMGEGSA-N 1 3 198.310 0.425 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H](CC[NH3+])N1C1CC1 251539778 572566490 /nfs/dbraw/zinc/56/64/90/572566490.db2.gz BJADBGXRMHSZSG-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO 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251343824 572568589 /nfs/dbraw/zinc/56/85/89/572568589.db2.gz QTVLPPYQBNVXGF-RYPBNFRJSA-N 1 3 154.257 0.530 10 0 ACAEHO C[C@H]1CC[N@H+](C)C[C@@H](CN)N1C1CC1 251541344 572568872 /nfs/dbraw/zinc/56/88/72/572568872.db2.gz BLXOWMRGCLLLFG-GXSJLCMTSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CC[N@@H+](C)C[C@@H](CN)N1C1CC1 251541344 572568875 /nfs/dbraw/zinc/56/88/75/572568875.db2.gz BLXOWMRGCLLLFG-GXSJLCMTSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CCN(C)C[C@@H](C[NH3+])N1C1CC1 251541344 572568879 /nfs/dbraw/zinc/56/88/79/572568879.db2.gz BLXOWMRGCLLLFG-GXSJLCMTSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])CN1CCO 69728950 572568896 /nfs/dbraw/zinc/56/88/96/572568896.db2.gz WPHPLEWRRGKZKG-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CCN(C)C[C@@H](C[NH3+])N1C1CC1 251541351 572569257 /nfs/dbraw/zinc/56/92/57/572569257.db2.gz BLXOWMRGCLLLFG-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@@H]1CC[N@H+](C)C[C@@H](CN)N1C1CC1 251541351 572569249 /nfs/dbraw/zinc/56/92/49/572569249.db2.gz BLXOWMRGCLLLFG-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)C[C@@H](CN)N1C1CC1 251541351 572569253 /nfs/dbraw/zinc/56/92/53/572569253.db2.gz BLXOWMRGCLLLFG-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CN(C2CC2)C[C@H](C[NH3+])N(C)C1 251536588 572569374 /nfs/dbraw/zinc/56/93/74/572569374.db2.gz BDMQHQCENMFLGZ-KOLCDFICSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCO 69728948 572569609 /nfs/dbraw/zinc/56/96/09/572569609.db2.gz WPHPLEWRRGKZKG-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)[C@H](CCO)N1CC[C@@H]([NH3+])C1 251373904 572569652 /nfs/dbraw/zinc/56/96/52/572569652.db2.gz XWIIUJCKUNEJIF-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)C[C@@H]1[NH3+] 69720225 572569930 /nfs/dbraw/zinc/56/99/30/572569930.db2.gz VEZHFNYZHVEIPQ-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCO 69728941 572569948 /nfs/dbraw/zinc/56/99/48/572569948.db2.gz WPHPLEWRRGKZKG-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO 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572571045 /nfs/dbraw/zinc/57/10/45/572571045.db2.gz WOWPAKBVQKKBJX-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@@]2(CCN(C)C2)O1 686236234 572571057 /nfs/dbraw/zinc/57/10/57/572571057.db2.gz WOWPAKBVQKKBJX-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)C[C@@H]1[C@@H]2[C@@H](N)[C@@H]2C[N@@H+]1C 251450869 572571167 /nfs/dbraw/zinc/57/11/67/572571167.db2.gz XBQNNAMNFDCEJJ-KYXWUPHJSA-N 1 3 168.284 0.920 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]1CO 312871007 572571168 /nfs/dbraw/zinc/57/11/68/572571168.db2.gz BQUWEOGPFHKVDT-OPRDCNLKSA-N 1 3 186.299 0.332 10 0 ACAEHO CC(C)C[C@@H]1[C@@H]2[C@@H](N)[C@@H]2C[N@H+]1C 251450869 572571169 /nfs/dbraw/zinc/57/11/69/572571169.db2.gz XBQNNAMNFDCEJJ-KYXWUPHJSA-N 1 3 168.284 0.920 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@]2(CCN(C)C2)O1 686236232 572571205 /nfs/dbraw/zinc/57/12/05/572571205.db2.gz WOWPAKBVQKKBJX-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)C[C@@H]1[C@H]2[C@@H](C[N@@H+]1C)[C@H]2N 251450877 572572133 /nfs/dbraw/zinc/57/21/33/572572133.db2.gz XBQNNAMNFDCEJJ-ZYUZMQFOSA-N 1 3 168.284 0.920 10 0 ACAEHO CC(C)C[C@@H]1[C@H]2[C@@H](C[N@H+]1C)[C@H]2N 251450877 572572136 /nfs/dbraw/zinc/57/21/36/572572136.db2.gz XBQNNAMNFDCEJJ-ZYUZMQFOSA-N 1 3 168.284 0.920 10 0 ACAEHO CC(C)C[C@@H]1C[N@H+](C)C[C@H]1N 251416572 572572764 /nfs/dbraw/zinc/57/27/64/572572764.db2.gz PAYLDXAMLNRNIZ-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)C[C@@H]1C[N@@H+](C)C[C@H]1N 251416572 572572772 /nfs/dbraw/zinc/57/27/72/572572772.db2.gz PAYLDXAMLNRNIZ-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)C[C@H]1C[N@H+](C)C[C@H]1N 251416569 572573038 /nfs/dbraw/zinc/57/30/38/572573038.db2.gz PAYLDXAMLNRNIZ-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)C[C@H]1C[N@@H+](C)C[C@H]1N 251416569 572573044 /nfs/dbraw/zinc/57/30/44/572573044.db2.gz PAYLDXAMLNRNIZ-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@H]1C[N@H+](C)C[C@H]1CN 251387781 572573064 /nfs/dbraw/zinc/57/30/64/572573064.db2.gz JCKOVEJDSORQFZ-RKDXNWHRSA-N 1 3 156.273 0.779 10 0 ACAEHO CC(C)[C@H]1C[N@@H+](C)C[C@H]1CN 251387781 572573068 /nfs/dbraw/zinc/57/30/68/572573068.db2.gz JCKOVEJDSORQFZ-RKDXNWHRSA-N 1 3 156.273 0.779 10 0 ACAEHO CN[C@H](C)c1nc(CC[NH3+])cs1 238339494 572573233 /nfs/dbraw/zinc/57/32/33/572573233.db2.gz KVVZHDIIHQXLRP-ZCFIWIBFSA-N 1 3 185.296 0.925 10 0 ACAEHO CC(C)C[C@@H]1[C@H](CN)[C@@H](O)C[N@@H+]1C 251423712 572573706 /nfs/dbraw/zinc/57/37/06/572573706.db2.gz QLLMSUPDZJYCQW-AEJSXWLSSA-N 1 3 186.299 0.282 10 0 ACAEHO CC(C)C[C@@H]1[C@H](CN)[C@@H](O)C[N@H+]1C 251423712 572573712 /nfs/dbraw/zinc/57/37/12/572573712.db2.gz QLLMSUPDZJYCQW-AEJSXWLSSA-N 1 3 186.299 0.282 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@@]2(CCN(C)C2)O1 686236233 572573732 /nfs/dbraw/zinc/57/37/32/572573732.db2.gz WOWPAKBVQKKBJX-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO CC[C@@H]1[C@H](O)[C@@H](CN)C[N@@H+]1C(C)C 251470378 572574769 /nfs/dbraw/zinc/57/47/69/572574769.db2.gz BKFSUYZHPYCJCL-IVZWLZJFSA-N 1 3 186.299 0.425 10 0 ACAEHO CC[C@@H]1[C@H](O)[C@@H](CN)C[N@H+]1C(C)C 251470378 572574772 /nfs/dbraw/zinc/57/47/72/572574772.db2.gz BKFSUYZHPYCJCL-IVZWLZJFSA-N 1 3 186.299 0.425 10 0 ACAEHO CC[C@@H]1[C@@H](O)[C@@H](CN)C[N@@H+]1C(C)C 251470375 572575876 /nfs/dbraw/zinc/57/58/76/572575876.db2.gz BKFSUYZHPYCJCL-AEJSXWLSSA-N 1 3 186.299 0.425 10 0 ACAEHO CC[C@@H]1[C@@H](O)[C@@H](CN)C[N@H+]1C(C)C 251470375 572575881 /nfs/dbraw/zinc/57/58/81/572575881.db2.gz BKFSUYZHPYCJCL-AEJSXWLSSA-N 1 3 186.299 0.425 10 0 ACAEHO COCCC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238343446 572576689 /nfs/dbraw/zinc/57/66/89/572576689.db2.gz GWXQWRZWVHPTFW-RTCCRHLQSA-N 1 3 198.310 0.977 10 0 ACAEHO COCCC[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238343446 572576693 /nfs/dbraw/zinc/57/66/93/572576693.db2.gz GWXQWRZWVHPTFW-RTCCRHLQSA-N 1 3 198.310 0.977 10 0 ACAEHO COCCC[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238343464 572576848 /nfs/dbraw/zinc/57/68/48/572576848.db2.gz GWXQWRZWVHPTFW-JGPRNRPPSA-N 1 3 198.310 0.977 10 0 ACAEHO COCCC[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238343464 572576852 /nfs/dbraw/zinc/57/68/52/572576852.db2.gz GWXQWRZWVHPTFW-JGPRNRPPSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]C[C@@H](O)CCN1CCC(F)CC1 689472745 572576886 /nfs/dbraw/zinc/57/68/86/572576886.db2.gz UUOGRZBMXDHOCE-VIFPVBQESA-N 1 3 190.262 0.130 10 0 ACAEHO [NH3+]C[C@H](O)CCN1CCC(F)CC1 689472741 572577036 /nfs/dbraw/zinc/57/70/36/572577036.db2.gz UUOGRZBMXDHOCE-SECBINFHSA-N 1 3 190.262 0.130 10 0 ACAEHO COC[C@@H](C)[C@@H](C)[NH2+]CCCN 308069291 572577720 /nfs/dbraw/zinc/57/77/20/572577720.db2.gz ARJHFIIFZIVHHY-RKDXNWHRSA-N 1 3 174.288 0.596 10 0 ACAEHO CN(C)Cc1cc([C@@H](O)C[NH3+])c[nH]1 74299210 572577873 /nfs/dbraw/zinc/57/78/73/572577873.db2.gz PCRFOMDBLOGQHH-VIFPVBQESA-N 1 3 183.255 0.068 10 0 ACAEHO COC[C@H](C)[C@@H](C)[NH2+]CCCN 308069273 572578544 /nfs/dbraw/zinc/57/85/44/572578544.db2.gz ARJHFIIFZIVHHY-DTWKUNHWSA-N 1 3 174.288 0.596 10 0 ACAEHO CN(C)CCc1oncc1CC[NH3+] 74299146 572578790 /nfs/dbraw/zinc/57/87/90/572578790.db2.gz CSWZTIBFDALZNV-UHFFFAOYSA-N 1 3 183.255 0.280 10 0 ACAEHO C[NH+](C)C[C@@H](N)CCc1ccon1 74299152 572578964 /nfs/dbraw/zinc/57/89/64/572578964.db2.gz ZVKUMRKCGVDEFC-QMMMGPOBSA-N 1 3 183.255 0.496 10 0 ACAEHO CN(C)CCc1cc(CC[NH3+])on1 74299284 572579652 /nfs/dbraw/zinc/57/96/52/572579652.db2.gz YDRRYWFXXROCEI-UHFFFAOYSA-N 1 3 183.255 0.280 10 0 ACAEHO COCCN[C@@H](C[NH3+])C1CCC1 87584967 572583559 /nfs/dbraw/zinc/58/35/59/572583559.db2.gz VDACDULWMZQYSL-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO COC[C@H](C)[C@H](C)[NH2+]CCCN 308069283 572579933 /nfs/dbraw/zinc/57/99/33/572579933.db2.gz ARJHFIIFZIVHHY-IUCAKERBSA-N 1 3 174.288 0.596 10 0 ACAEHO COC[C@@H](C)[C@H](C)[NH2+]CCCN 308069265 572580275 /nfs/dbraw/zinc/58/02/75/572580275.db2.gz ARJHFIIFZIVHHY-BDAKNGLRSA-N 1 3 174.288 0.596 10 0 ACAEHO C[NH+](C)C[C@H](N)CCc1ccon1 74299151 572580875 /nfs/dbraw/zinc/58/08/75/572580875.db2.gz ZVKUMRKCGVDEFC-MRVPVSSYSA-N 1 3 183.255 0.496 10 0 ACAEHO CN(C)Cc1cc([C@H](O)C[NH3+])c[nH]1 74299209 572580961 /nfs/dbraw/zinc/58/09/61/572580961.db2.gz PCRFOMDBLOGQHH-SECBINFHSA-N 1 3 183.255 0.068 10 0 ACAEHO CO[C@@H](C)C[N@H+](C)CC1(N)CC1 308067373 572581453 /nfs/dbraw/zinc/58/14/53/572581453.db2.gz ZHBZZQCZCWUICF-QMMMGPOBSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@@H](C)C[N@@H+](C)CC1(N)CC1 308067373 572581455 /nfs/dbraw/zinc/58/14/55/572581455.db2.gz ZHBZZQCZCWUICF-QMMMGPOBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H]1CCN(C2CC2)[C@@H](C[NH3+])CN1C 251590787 572581628 /nfs/dbraw/zinc/58/16/28/572581628.db2.gz FRFKOLQZVOGSTQ-KOLCDFICSA-N 1 3 197.326 0.502 10 0 ACAEHO CN(C)CCN(C)[C@H](C[NH3+])C1CCC1 87585008 572582180 /nfs/dbraw/zinc/58/21/80/572582180.db2.gz NQENVUXEEADRJA-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@@H](O)CCNCC(C)(C)[NH3+] 308066660 572582836 /nfs/dbraw/zinc/58/28/36/572582836.db2.gz YYFBKIICBRMIFR-MRVPVSSYSA-N 1 3 174.288 0.474 10 0 ACAEHO CC[C@H](O)CCNCC(C)(C)[NH3+] 308066661 572583065 /nfs/dbraw/zinc/58/30/65/572583065.db2.gz YYFBKIICBRMIFR-QMMMGPOBSA-N 1 3 174.288 0.474 10 0 ACAEHO C[C@H]1CCN(C2CC2)[C@@H](C[NH3+])CN1C 251590792 572583150 /nfs/dbraw/zinc/58/31/50/572583150.db2.gz FRFKOLQZVOGSTQ-ONGXEEELSA-N 1 3 197.326 0.502 10 0 ACAEHO [NH3+]C[C@@H](NC[C@@H]1CCCO1)C1CCC1 87585106 572583154 /nfs/dbraw/zinc/58/31/54/572583154.db2.gz OCSDNZQCIPLYTC-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH+](C)CCC[C@H](N)c1cc[nH]n1 74300275 572583372 /nfs/dbraw/zinc/58/33/72/572583372.db2.gz SOAZLWBCUJOZJM-QMMMGPOBSA-N 1 3 182.271 0.751 10 0 ACAEHO C[C@@H](N)c1nc(CC[NH+](C)C)c[nH]1 74300204 572583984 /nfs/dbraw/zinc/58/39/84/572583984.db2.gz MMPAATRLLCPFQK-SSDOTTSWSA-N 1 3 182.271 0.534 10 0 ACAEHO CN(C)CCc1c[nH]c(CC[NH3+])n1 74300169 572584045 /nfs/dbraw/zinc/58/40/45/572584045.db2.gz DAIQXMIMRDDRQH-UHFFFAOYSA-N 1 3 182.271 0.015 10 0 ACAEHO CN(C)CCN(C)[C@@H](C[NH3+])C1CCC1 87585007 572584376 /nfs/dbraw/zinc/58/43/76/572584376.db2.gz NQENVUXEEADRJA-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO [NH3+]C[C@@H](NC[C@H]1CCCO1)C1CCC1 87585108 572584478 /nfs/dbraw/zinc/58/44/78/572584478.db2.gz OCSDNZQCIPLYTC-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO CO[C@H](C)C[N@H+](C)CC1(N)CC1 308067372 572584572 /nfs/dbraw/zinc/58/45/72/572584572.db2.gz ZHBZZQCZCWUICF-MRVPVSSYSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@H](C)C[N@@H+](C)CC1(N)CC1 308067372 572584576 /nfs/dbraw/zinc/58/45/76/572584576.db2.gz ZHBZZQCZCWUICF-MRVPVSSYSA-N 1 3 172.272 0.444 10 0 ACAEHO [NH3+]C[C@H](NC[C@H]1CCCO1)C1CCC1 87585109 572585064 /nfs/dbraw/zinc/58/50/64/572585064.db2.gz OCSDNZQCIPLYTC-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](N)c1nc(CC[NH+](C)C)c[nH]1 74300203 572585172 /nfs/dbraw/zinc/58/51/72/572585172.db2.gz MMPAATRLLCPFQK-ZETCQYMHSA-N 1 3 182.271 0.534 10 0 ACAEHO C[NH+](C)CCC[C@@H](N)c1cc[nH]n1 74300277 572585233 /nfs/dbraw/zinc/58/52/33/572585233.db2.gz SOAZLWBCUJOZJM-MRVPVSSYSA-N 1 3 182.271 0.751 10 0 ACAEHO [NH3+]C[C@H](NC[C@@H]1CCCO1)C1CCC1 87585107 572585591 /nfs/dbraw/zinc/58/55/91/572585591.db2.gz OCSDNZQCIPLYTC-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO COCCN[C@H](C[NH3+])C1CCC1 87584968 572586016 /nfs/dbraw/zinc/58/60/16/572586016.db2.gz VDACDULWMZQYSL-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H](C[NH3+])N(C2CC2)C1 251650666 572586298 /nfs/dbraw/zinc/58/62/98/572586298.db2.gz JYHWHWFGHROQIT-MWLCHTKSSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1CN(C)C[C@@H](C[NH3+])N(C2CC2)C1 251650657 572587441 /nfs/dbraw/zinc/58/74/41/572587441.db2.gz JYHWHWFGHROQIT-GXSJLCMTSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1CCN(C)C[C@](C[NH3+])(CO)C1 251558645 572588231 /nfs/dbraw/zinc/58/82/31/572588231.db2.gz CORIORNGGDCGIU-UWVGGRQHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H]1CCN(C)C[C@](C[NH3+])(CO)C1 251558650 572588722 /nfs/dbraw/zinc/58/87/22/572588722.db2.gz CORIORNGGDCGIU-ZJUUUORDSA-N 1 3 186.299 0.286 10 0 ACAEHO C=COCCCNCC(C)(C)[NH3+] 308068567 572589483 /nfs/dbraw/zinc/58/94/83/572589483.db2.gz AOHIKHXNJAYUFB-UHFFFAOYSA-N 1 3 172.272 0.864 10 0 ACAEHO CO[C@H]1CCC[C@@H](N2CC[C@H]([NH3+])C2)C1 69849760 572592116 /nfs/dbraw/zinc/59/21/16/572592116.db2.gz LKXSRWGNMFASHG-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)N(C)C[C@@H]1C 251669912 572593906 /nfs/dbraw/zinc/59/39/06/572593906.db2.gz LMMVREKJPDDPQL-UWVGGRQHSA-N 1 3 185.315 0.358 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)N(C)C[C@@H]1C 251669912 572593914 /nfs/dbraw/zinc/59/39/14/572593914.db2.gz LMMVREKJPDDPQL-UWVGGRQHSA-N 1 3 185.315 0.358 10 0 ACAEHO CO[C@H]1CCC[C@H](N2CC[C@H]([NH3+])C2)C1 69849758 572594213 /nfs/dbraw/zinc/59/42/13/572594213.db2.gz LKXSRWGNMFASHG-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO COC1CC([N@H+](C)C[C@@H](C)N)C1 308070901 572595664 /nfs/dbraw/zinc/59/56/64/572595664.db2.gz BJYYTXUBUYBMNS-AFPNSQJFSA-N 1 3 172.272 0.443 10 0 ACAEHO COC1CC([N@@H+](C)C[C@@H](C)N)C1 308070901 572595669 /nfs/dbraw/zinc/59/56/69/572595669.db2.gz BJYYTXUBUYBMNS-AFPNSQJFSA-N 1 3 172.272 0.443 10 0 ACAEHO C[C@@H]1CCN(C2CC2)C[C@@H](C[NH3+])N1C 251614872 572596591 /nfs/dbraw/zinc/59/65/91/572596591.db2.gz HDGQXUCCQADDRP-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO CC[C@H](C)[N@@H+]1CCN(C)[C@@H](CN)C1 251620209 572596693 /nfs/dbraw/zinc/59/66/93/572596693.db2.gz BIEXZOYQKYAVPS-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@H](C)[N@H+]1CCN(C)[C@@H](CN)C1 251620209 572596695 /nfs/dbraw/zinc/59/66/95/572596695.db2.gz BIEXZOYQKYAVPS-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO COCCCC[NH2+]C[C@@H](C)CN 308070272 572596856 /nfs/dbraw/zinc/59/68/56/572596856.db2.gz BBBNCIXFDWKJIH-VIFPVBQESA-N 1 3 174.288 0.597 10 0 ACAEHO COCCCC[NH2+]C[C@H](C)CN 308070270 572597082 /nfs/dbraw/zinc/59/70/82/572597082.db2.gz BBBNCIXFDWKJIH-SECBINFHSA-N 1 3 174.288 0.597 10 0 ACAEHO COC1CC([N@H+](C)C[C@H](C)N)C1 308070905 572597187 /nfs/dbraw/zinc/59/71/87/572597187.db2.gz BJYYTXUBUYBMNS-UEJVZZJDSA-N 1 3 172.272 0.443 10 0 ACAEHO COC1CC([N@@H+](C)C[C@H](C)N)C1 308070905 572597191 /nfs/dbraw/zinc/59/71/91/572597191.db2.gz BJYYTXUBUYBMNS-UEJVZZJDSA-N 1 3 172.272 0.443 10 0 ACAEHO C[C@H]1CCN(C2CC2)C[C@@H](C[NH3+])N1C 251614870 572597354 /nfs/dbraw/zinc/59/73/54/572597354.db2.gz HDGQXUCCQADDRP-GXSJLCMTSA-N 1 3 197.326 0.502 10 0 ACAEHO CC[C@H]1C[C@H]([NH2+]CCCN)CCO1 69863182 572597696 /nfs/dbraw/zinc/59/76/96/572597696.db2.gz DFRWRBMZDOOFGF-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CC[C@@H](C)[N@@H+]1CCN(C)[C@@H](CN)C1 251620213 572597769 /nfs/dbraw/zinc/59/77/69/572597769.db2.gz BIEXZOYQKYAVPS-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H](C)[N@H+]1CCN(C)[C@@H](CN)C1 251620213 572597770 /nfs/dbraw/zinc/59/77/70/572597770.db2.gz BIEXZOYQKYAVPS-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCC(C)(C)CO 308070163 572597778 /nfs/dbraw/zinc/59/77/78/572597778.db2.gz AZLUBXKFMYZMOU-YUMQZZPRSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCC(C)(C)CO 308070127 572598009 /nfs/dbraw/zinc/59/80/09/572598009.db2.gz AZLUBXKFMYZMOU-HTQZYQBOSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H]1C[C@H](N2CCC([NH3+])CC2)CCO1 69893912 572599568 /nfs/dbraw/zinc/59/95/68/572599568.db2.gz AEBKFDUYHWZQCN-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@H]([NH+]2CCC(N)CC2)CCO1 69893912 572599575 /nfs/dbraw/zinc/59/95/75/572599575.db2.gz AEBKFDUYHWZQCN-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H](N2CCC([NH3+])CC2)CCO1 69893910 572600365 /nfs/dbraw/zinc/60/03/65/572600365.db2.gz AEBKFDUYHWZQCN-MWLCHTKSSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H]([NH+]2CCC(N)CC2)CCO1 69893910 572600371 /nfs/dbraw/zinc/60/03/71/572600371.db2.gz AEBKFDUYHWZQCN-MWLCHTKSSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@@H](N2CCC([NH3+])CC2)CCO1 69893915 572601996 /nfs/dbraw/zinc/60/19/96/572601996.db2.gz AEBKFDUYHWZQCN-ONGXEEELSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@@H]([NH+]2CCC(N)CC2)CCO1 69893915 572601999 /nfs/dbraw/zinc/60/19/99/572601999.db2.gz AEBKFDUYHWZQCN-ONGXEEELSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H](O)C[C@H](C)N[C@@H](C)[C@@H](C)[NH3+] 308072184 572606264 /nfs/dbraw/zinc/60/62/64/572606264.db2.gz BZMVXGYKTHDEHB-MAUMQABQSA-N 1 3 174.288 0.471 10 0 ACAEHO C[C@@H]1C[C@@H](N2CCC([NH3+])CC2)CCO1 69893913 572602550 /nfs/dbraw/zinc/60/25/50/572602550.db2.gz AEBKFDUYHWZQCN-KOLCDFICSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H]([NH+]2CCC(N)CC2)CCO1 69893913 572602556 /nfs/dbraw/zinc/60/25/56/572602556.db2.gz AEBKFDUYHWZQCN-KOLCDFICSA-N 1 3 198.310 0.977 10 0 ACAEHO C[NH+](C)CCc1cc(CN)ncn1 74303195 572603494 /nfs/dbraw/zinc/60/34/94/572603494.db2.gz ANHITHUCWSPQGJ-UHFFFAOYSA-N 1 3 180.255 0.039 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)N(C)C[C@H]1C 251670667 572603498 /nfs/dbraw/zinc/60/34/98/572603498.db2.gz LMMVREKJPDDPQL-ZJUUUORDSA-N 1 3 185.315 0.358 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)N(C)C[C@H]1C 251670667 572603500 /nfs/dbraw/zinc/60/35/00/572603500.db2.gz LMMVREKJPDDPQL-ZJUUUORDSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]1CN(C)[C@@H](CC[NH3+])CN1C1CC1 251642457 572603914 /nfs/dbraw/zinc/60/39/14/572603914.db2.gz JGOZLMHBIOJCSC-ONGXEEELSA-N 1 3 197.326 0.502 10 0 ACAEHO CC(C)N1CC([C@H](C)[NH3+])C1 165852453 572604744 /nfs/dbraw/zinc/60/47/44/572604744.db2.gz RQQSXIGNEJMSSI-ZETCQYMHSA-N 1 3 142.246 0.674 10 0 ACAEHO CC[C@@H]1[C@H]2[C@@H](CN1C)[C@H]2[NH3+] 251671860 572604860 /nfs/dbraw/zinc/60/48/60/572604860.db2.gz OSIHRCDTCYRRJE-WCTZXXKLSA-N 1 3 140.230 0.284 10 0 ACAEHO C[C@H](O)C[C@H](C)N[C@H](C)[C@H](C)[NH3+] 308072186 572604959 /nfs/dbraw/zinc/60/49/59/572604959.db2.gz BZMVXGYKTHDEHB-XSPKLOCKSA-N 1 3 174.288 0.471 10 0 ACAEHO C[C@H](N)C[N@@H+]1CCC2(COC2)[C@H](C)C1 251643246 572605572 /nfs/dbraw/zinc/60/55/72/572605572.db2.gz GAPLRDRLVLLAGB-ZJUUUORDSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](N)C[N@H+]1CCC2(COC2)[C@H](C)C1 251643246 572605577 /nfs/dbraw/zinc/60/55/77/572605577.db2.gz GAPLRDRLVLLAGB-ZJUUUORDSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](N)C[N@@H+]1CCC2(COC2)[C@@H](C)C1 251643245 572605817 /nfs/dbraw/zinc/60/58/17/572605817.db2.gz GAPLRDRLVLLAGB-UWVGGRQHSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](N)C[N@H+]1CCC2(COC2)[C@@H](C)C1 251643245 572605818 /nfs/dbraw/zinc/60/58/18/572605818.db2.gz GAPLRDRLVLLAGB-UWVGGRQHSA-N 1 3 198.310 0.692 10 0 ACAEHO CC[C@@H]1[C@@H]2[C@@H]([NH3+])[C@@H]2CN1C 251671863 572606226 /nfs/dbraw/zinc/60/62/26/572606226.db2.gz OSIHRCDTCYRRJE-XUTVFYLZSA-N 1 3 140.230 0.284 10 0 ACAEHO C[C@H](O)C[C@H](C)N[C@@H](C)[C@H](C)[NH3+] 308072183 572606438 /nfs/dbraw/zinc/60/64/38/572606438.db2.gz BZMVXGYKTHDEHB-JBDRJPRFSA-N 1 3 174.288 0.471 10 0 ACAEHO C[C@@H]1CN(C)[C@@H](CC[NH3+])CN1C1CC1 251642453 572606750 /nfs/dbraw/zinc/60/67/50/572606750.db2.gz JGOZLMHBIOJCSC-KOLCDFICSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H](O)C[C@H](C)N[C@H](C)[C@@H](C)[NH3+] 308072185 572606717 /nfs/dbraw/zinc/60/67/17/572606717.db2.gz BZMVXGYKTHDEHB-RBXMUDONSA-N 1 3 174.288 0.471 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCC(C)(C)O 308072987 572607103 /nfs/dbraw/zinc/60/71/03/572607103.db2.gz CFMOQDAAFRPULS-YUMQZZPRSA-N 1 3 174.288 0.473 10 0 ACAEHO CC12CC3(O)C[C@]([NH3+])(C1)C[C@](N)(C2)C3 140774914 572607605 /nfs/dbraw/zinc/60/76/05/572607605.db2.gz BYKKAYPCMWHHRZ-GGWWSXTCSA-N 1 3 196.294 0.500 10 0 ACAEHO CC12CC3(O)C[C@](N)(C1)C[C@]([NH3+])(C2)C3 140774914 572607608 /nfs/dbraw/zinc/60/76/08/572607608.db2.gz BYKKAYPCMWHHRZ-GGWWSXTCSA-N 1 3 196.294 0.500 10 0 ACAEHO C[C@H]1CC[N@H+](C)[C@H]1CCN 251675730 572607644 /nfs/dbraw/zinc/60/76/44/572607644.db2.gz LZEIKKGMEMNVRS-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[N@@H+](C)[C@H]1CCN 251675730 572607646 /nfs/dbraw/zinc/60/76/46/572607646.db2.gz LZEIKKGMEMNVRS-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@H]1CCN 251675728 572607653 /nfs/dbraw/zinc/60/76/53/572607653.db2.gz LZEIKKGMEMNVRS-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@H]1CCN 251675728 572607655 /nfs/dbraw/zinc/60/76/55/572607655.db2.gz LZEIKKGMEMNVRS-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCC(C)(C)O 308072978 572608429 /nfs/dbraw/zinc/60/84/29/572608429.db2.gz CFMOQDAAFRPULS-JGVFFNPUSA-N 1 3 174.288 0.473 10 0 ACAEHO C[C@H](C[NH2+]CC(C)(C)N)[S@@](C)=O 308073035 572608437 /nfs/dbraw/zinc/60/84/37/572608437.db2.gz CGJVCGUELQPAFP-JMCQJSRRSA-N 1 3 192.328 0.080 10 0 ACAEHO C[C@H](C[NH2+]CC(C)(C)N)[S@](C)=O 308073038 572608527 /nfs/dbraw/zinc/60/85/27/572608527.db2.gz CGJVCGUELQPAFP-KRTXAFLBSA-N 1 3 192.328 0.080 10 0 ACAEHO C[C@@H]1CN(C)CCC[C@H]1[NH3+] 251677657 572608769 /nfs/dbraw/zinc/60/87/69/572608769.db2.gz HRFYHDAZHYDUAR-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CCC[C@@H](C)[N@@H+]1CCN(C)C[C@@H]1CN 87613354 572609048 /nfs/dbraw/zinc/60/90/48/572609048.db2.gz KSTFRWWKCYHLLH-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCC[C@@H](C)[N@H+]1CCN(C)C[C@@H]1CN 87613354 572609054 /nfs/dbraw/zinc/60/90/54/572609054.db2.gz KSTFRWWKCYHLLH-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1CN(C)CCC[C@H]1[NH3+] 251677660 572609380 /nfs/dbraw/zinc/60/93/80/572609380.db2.gz HRFYHDAZHYDUAR-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H](C[NH2+]CC(C)(C)N)[S@@](C)=O 308073036 572609471 /nfs/dbraw/zinc/60/94/71/572609471.db2.gz CGJVCGUELQPAFP-JVXZTZIISA-N 1 3 192.328 0.080 10 0 ACAEHO C[C@H](NCCC(C)(C)O)[C@@H](C)[NH3+] 308072982 572610045 /nfs/dbraw/zinc/61/00/45/572610045.db2.gz CFMOQDAAFRPULS-SFYZADRCSA-N 1 3 174.288 0.473 10 0 ACAEHO C[C@@H](C[NH2+]CC(C)(C)N)[S@](C)=O 308073039 572610119 /nfs/dbraw/zinc/61/01/19/572610119.db2.gz CGJVCGUELQPAFP-MADCSZMMSA-N 1 3 192.328 0.080 10 0 ACAEHO CCC[C@H](C)[N@@H+]1CCN(C)C[C@@H]1CN 87613355 572610700 /nfs/dbraw/zinc/61/07/00/572610700.db2.gz KSTFRWWKCYHLLH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CCC[C@H](C)[N@H+]1CCN(C)C[C@@H]1CN 87613355 572610703 /nfs/dbraw/zinc/61/07/03/572610703.db2.gz KSTFRWWKCYHLLH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])C1=COCC1 308073790 572610964 /nfs/dbraw/zinc/61/09/64/572610964.db2.gz CNNDTGWXQYKNEG-SECBINFHSA-N 1 3 170.256 0.570 10 0 ACAEHO C[NH+](C)CC[C@@H](N)C1=COCC1 308073790 572610968 /nfs/dbraw/zinc/61/09/68/572610968.db2.gz CNNDTGWXQYKNEG-SECBINFHSA-N 1 3 170.256 0.570 10 0 ACAEHO CN(C)CC[C@H]([NH3+])C1=COCC1 308073791 572611376 /nfs/dbraw/zinc/61/13/76/572611376.db2.gz CNNDTGWXQYKNEG-VIFPVBQESA-N 1 3 170.256 0.570 10 0 ACAEHO C[NH+](C)CC[C@H](N)C1=COCC1 308073791 572611380 /nfs/dbraw/zinc/61/13/80/572611380.db2.gz CNNDTGWXQYKNEG-VIFPVBQESA-N 1 3 170.256 0.570 10 0 ACAEHO CNC[C@@H]1C[N@@H+](C(C)C)C[C@@H](C)N1C 251702669 572612146 /nfs/dbraw/zinc/61/21/46/572612146.db2.gz OERZNNMOEHRCSU-GHMZBOCLSA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@@H]1C[N@H+](C(C)C)C[C@@H](C)N1C 251702669 572612151 /nfs/dbraw/zinc/61/21/51/572612151.db2.gz OERZNNMOEHRCSU-GHMZBOCLSA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@@H]1C[N@@H+](C(C)C)C[C@H](C)N1C 251702671 572612240 /nfs/dbraw/zinc/61/22/40/572612240.db2.gz OERZNNMOEHRCSU-WDEREUQCSA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@@H]1C[N@H+](C(C)C)C[C@H](C)N1C 251702671 572612244 /nfs/dbraw/zinc/61/22/44/572612244.db2.gz OERZNNMOEHRCSU-WDEREUQCSA-N 1 3 199.342 0.619 10 0 ACAEHO Cc1ccc([C@@H]([NH3+])[C@@H](O)CN)cc1 197896906 572612248 /nfs/dbraw/zinc/61/22/48/572612248.db2.gz DRPTTXOABQFRLL-VHSXEESVSA-N 1 3 180.251 0.314 10 0 ACAEHO N[C@]12CC3CC(O)(C[C@]([NH3+])(C3)C1)C2 140865422 572612542 /nfs/dbraw/zinc/61/25/42/572612542.db2.gz AWLFXIYJMNYCRJ-XWJSGITJSA-N 1 3 182.267 0.110 10 0 ACAEHO N[C@]12CC3CC(O)(C1)C[C@@]([NH3+])(C3)C2 140865422 572612545 /nfs/dbraw/zinc/61/25/45/572612545.db2.gz AWLFXIYJMNYCRJ-XWJSGITJSA-N 1 3 182.267 0.110 10 0 ACAEHO CC(C)[C@H](C)[C@H](C[NH3+])NCCO 308074949 572612721 /nfs/dbraw/zinc/61/27/21/572612721.db2.gz DVSXYEYMJLMHSQ-IUCAKERBSA-N 1 3 174.288 0.188 10 0 ACAEHO CN(C)Cc1ccc([C@H]([NH3+])CO)cc1 72197709 572612730 /nfs/dbraw/zinc/61/27/30/572612730.db2.gz MDZHEJJNUUOWQZ-LLVKDONJSA-N 1 3 194.278 0.740 10 0 ACAEHO Cc1ccc([C@H]([NH3+])[C@@H](O)CN)cc1 197896898 572612751 /nfs/dbraw/zinc/61/27/51/572612751.db2.gz DRPTTXOABQFRLL-UWVGGRQHSA-N 1 3 180.251 0.314 10 0 ACAEHO CC(C)N1[C@@H](C)CC[N@@H+](C)C[C@H]1CN 251706490 572617482 /nfs/dbraw/zinc/61/74/82/572617482.db2.gz ONTHSFJZQXZXEE-WDEREUQCSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)[C@H](C)[C@@H](C[NH3+])NCCO 308074947 572613165 /nfs/dbraw/zinc/61/31/65/572613165.db2.gz DVSXYEYMJLMHSQ-DTWKUNHWSA-N 1 3 174.288 0.188 10 0 ACAEHO CC(C)[C@@H](C)[C@@H](C[NH3+])NCCO 308074950 572613391 /nfs/dbraw/zinc/61/33/91/572613391.db2.gz DVSXYEYMJLMHSQ-RKDXNWHRSA-N 1 3 174.288 0.188 10 0 ACAEHO CC(C)[N@@H+]1C[C@@H](C)N(C)[C@H](CN)C1 251699267 572613788 /nfs/dbraw/zinc/61/37/88/572613788.db2.gz NXHBOJCEIUAQRH-NXEZZACHSA-N 1 3 185.315 0.358 10 0 ACAEHO CC(C)[N@H+]1C[C@@H](C)N(C)[C@H](CN)C1 251699267 572613794 /nfs/dbraw/zinc/61/37/94/572613794.db2.gz NXHBOJCEIUAQRH-NXEZZACHSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)[C@@H](C)C[NH2+]1 251702629 572614539 /nfs/dbraw/zinc/61/45/39/572614539.db2.gz OECHOJIXOJTMON-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CN(CCC1CC1)CC1C[NH2+]C1 308075671 572617495 /nfs/dbraw/zinc/61/74/95/572617495.db2.gz FDFBSTWMDMOOAQ-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO C[N@H+](CCC1CC1)CC1CNC1 308075671 572617497 /nfs/dbraw/zinc/61/74/97/572617497.db2.gz FDFBSTWMDMOOAQ-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO C[N@@H+](CCC1CC1)CC1CNC1 308075671 572617500 /nfs/dbraw/zinc/61/75/00/572617500.db2.gz FDFBSTWMDMOOAQ-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](C)N(C)[C@H](CN)C1 251699269 572616010 /nfs/dbraw/zinc/61/60/10/572616010.db2.gz NXHBOJCEIUAQRH-VHSXEESVSA-N 1 3 185.315 0.358 10 0 ACAEHO CC(C)[N@H+]1C[C@H](C)N(C)[C@H](CN)C1 251699269 572616014 /nfs/dbraw/zinc/61/60/14/572616014.db2.gz NXHBOJCEIUAQRH-VHSXEESVSA-N 1 3 185.315 0.358 10 0 ACAEHO CC(C)[C@@H](C)[C@H](C[NH3+])NCCO 308074946 572616078 /nfs/dbraw/zinc/61/60/78/572616078.db2.gz DVSXYEYMJLMHSQ-BDAKNGLRSA-N 1 3 174.288 0.188 10 0 ACAEHO CC(C)CN1CCN(C)C[C@H]1CC[NH3+] 250543517 572616143 /nfs/dbraw/zinc/61/61/43/572616143.db2.gz CJMSRGLBSPYJLZ-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)N1CC[C@@H](C)[NH2+]C[C@@H]1CO 251708696 572616649 /nfs/dbraw/zinc/61/66/49/572616649.db2.gz OTBHIPWQXATBMT-NXEZZACHSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@H]1CC[C@]1(C[NH3+])NCCCO 308075900 572617590 /nfs/dbraw/zinc/61/75/90/572617590.db2.gz DJHWGFJTJJZMQX-DTWKUNHWSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@@H]1CC[C@@]1(C[NH3+])NCCCO 308075899 572617189 /nfs/dbraw/zinc/61/71/89/572617189.db2.gz DJHWGFJTJJZMQX-BDAKNGLRSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@@H]1CC[C@]1(C[NH3+])NCCCO 308075902 572617238 /nfs/dbraw/zinc/61/72/38/572617238.db2.gz DJHWGFJTJJZMQX-RKDXNWHRSA-N 1 3 172.272 0.086 10 0 ACAEHO CC(C)N1[C@H](C)CC[N@H+](C)C[C@H]1CN 251706489 572617294 /nfs/dbraw/zinc/61/72/94/572617294.db2.gz ONTHSFJZQXZXEE-GHMZBOCLSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1[C@H](C)CC[N@@H+](C)C[C@H]1CN 251706489 572617298 /nfs/dbraw/zinc/61/72/98/572617298.db2.gz ONTHSFJZQXZXEE-GHMZBOCLSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1[C@@H](C)CC[N@H+](C)C[C@H]1CN 251706490 572617478 /nfs/dbraw/zinc/61/74/78/572617478.db2.gz ONTHSFJZQXZXEE-WDEREUQCSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1CC[C@@]1(C[NH3+])NCCCO 308075901 572617722 /nfs/dbraw/zinc/61/77/22/572617722.db2.gz DJHWGFJTJJZMQX-IUCAKERBSA-N 1 3 172.272 0.086 10 0 ACAEHO N=C1CC[NH2+]CC1 72231575 572617892 /nfs/dbraw/zinc/61/78/92/572617892.db2.gz MRRXGLNCXPJBJU-UHFFFAOYSA-N 1 3 98.149 0.390 10 0 ACAEHO [NH2+]=C1CCNCC1 72231575 572617896 /nfs/dbraw/zinc/61/78/96/572617896.db2.gz MRRXGLNCXPJBJU-UHFFFAOYSA-N 1 3 98.149 0.390 10 0 ACAEHO CC(C)N1CC[C@H](C)[NH2+]C[C@@H]1CO 251708698 572618008 /nfs/dbraw/zinc/61/80/08/572618008.db2.gz OTBHIPWQXATBMT-VHSXEESVSA-N 1 3 186.299 0.440 10 0 ACAEHO COCC[N@@H+]1CC[C@H](C)N[C@H](C)C1 251715151 572619024 /nfs/dbraw/zinc/61/90/24/572619024.db2.gz PIAURFYRMHFLME-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO COCC[N@H+]1CC[C@H](C)N[C@H](C)C1 251715151 572619027 /nfs/dbraw/zinc/61/90/27/572619027.db2.gz PIAURFYRMHFLME-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@H]1c1ccc(O)cc1 214696945 572619190 /nfs/dbraw/zinc/61/91/90/572619190.db2.gz GJIRWTYENKXIQG-WDEREUQCSA-N 1 3 192.262 0.796 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(CC2CN(C)C2)C1 115416877 572619827 /nfs/dbraw/zinc/61/98/27/572619827.db2.gz CFGGZWKOCRZPSV-JTQLQIEISA-N 1 3 197.326 0.089 10 0 ACAEHO CC(C)N1C[C@H](C)N(C)C[C@@H]1CC[NH3+] 251717370 572620028 /nfs/dbraw/zinc/62/00/28/572620028.db2.gz PMDVRUFDBBCECT-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1CCN(C)[C@@H](C[NH3+])CN1C1CC1 251713007 572621564 /nfs/dbraw/zinc/62/15/64/572621564.db2.gz PCJAYVWIXBFDDN-ONGXEEELSA-N 1 3 197.326 0.502 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@@H]1c1ccc(O)cc1 214696989 572620375 /nfs/dbraw/zinc/62/03/75/572620375.db2.gz GJIRWTYENKXIQG-GHMZBOCLSA-N 1 3 192.262 0.796 10 0 ACAEHO [NH3+][C@H]1CNCC[C@@H]1c1ccc(O)cc1 214696896 572620976 /nfs/dbraw/zinc/62/09/76/572620976.db2.gz GJIRWTYENKXIQG-MNOVXSKESA-N 1 3 192.262 0.796 10 0 ACAEHO [NH3+][C@H]1CNCC[C@H]1c1ccc(O)cc1 214696845 572621608 /nfs/dbraw/zinc/62/16/08/572621608.db2.gz GJIRWTYENKXIQG-QWRGUYRKSA-N 1 3 192.262 0.796 10 0 ACAEHO C[NH2+]C[C@H]1CCN(CC2CN(C)C2)C1 115416879 572621676 /nfs/dbraw/zinc/62/16/76/572621676.db2.gz CFGGZWKOCRZPSV-SNVBAGLBSA-N 1 3 197.326 0.089 10 0 ACAEHO COCC[N@@H+]1CC[C@@H](C)N[C@H](C)C1 251715150 572622604 /nfs/dbraw/zinc/62/26/04/572622604.db2.gz PIAURFYRMHFLME-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO COCC[N@H+]1CC[C@@H](C)N[C@H](C)C1 251715150 572622606 /nfs/dbraw/zinc/62/26/06/572622606.db2.gz PIAURFYRMHFLME-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[C@H](C)N1CCN(CC[NH3+])[C@@H](C)C1 251728865 572623594 /nfs/dbraw/zinc/62/35/94/572623594.db2.gz FJWZUGNNZZEAHO-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](C)[C@]1(CN)CCCOC1 70014859 572623698 /nfs/dbraw/zinc/62/36/98/572623698.db2.gz CPRDRWQFSMIWET-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC[N@@H+](C)[C@]1(CN)CCCOC1 70014859 572623703 /nfs/dbraw/zinc/62/37/03/572623703.db2.gz CPRDRWQFSMIWET-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@H](NCCCC[NH3+])c1nccn1C 70007810 572624157 /nfs/dbraw/zinc/62/41/57/572624157.db2.gz DPLJTAKLNIXIFC-VIFPVBQESA-N 1 3 196.298 0.810 10 0 ACAEHO CC(C)N[C@]1(C[NH3+])CCCOC1 70015288 572624831 /nfs/dbraw/zinc/62/48/31/572624831.db2.gz MAHVMKHDRCOUMC-VIFPVBQESA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]1CN(C2CC2)C[C@@H](CC[NH3+])N1C 251736786 572625685 /nfs/dbraw/zinc/62/56/85/572625685.db2.gz RAKYAJWMPYTOQV-GXSJLCMTSA-N 1 3 197.326 0.502 10 0 ACAEHO CC(C)N[C@@]1(C[NH3+])CCCOC1 70015291 572625841 /nfs/dbraw/zinc/62/58/41/572625841.db2.gz MAHVMKHDRCOUMC-SECBINFHSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H](C1CC1)N1CCO[C@@H](CC[NH3+])C1 238365829 572625872 /nfs/dbraw/zinc/62/58/72/572625872.db2.gz RRVOPKPLVSAUFG-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CN(C2CC2)C[C@@H](CC[NH3+])N1C 251736788 572625990 /nfs/dbraw/zinc/62/59/90/572625990.db2.gz RAKYAJWMPYTOQV-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO CC[C@@H](C)N1CCN(CC[NH3+])[C@@H](C)C1 251728861 572626235 /nfs/dbraw/zinc/62/62/35/572626235.db2.gz FJWZUGNNZZEAHO-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](C)[C@@]1(CN)CCCOC1 70014862 572626407 /nfs/dbraw/zinc/62/64/07/572626407.db2.gz CPRDRWQFSMIWET-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CC[N@@H+](C)[C@@]1(CN)CCCOC1 70014862 572626412 /nfs/dbraw/zinc/62/64/12/572626412.db2.gz CPRDRWQFSMIWET-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)N1C[C@@H](C)C[N@H+](C)C[C@H]1CN 251736613 572626481 /nfs/dbraw/zinc/62/64/81/572626481.db2.gz QZMQMGVGSHLCOU-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)N1C[C@@H](C)C[N@@H+](C)C[C@H]1CN 251736613 572626483 /nfs/dbraw/zinc/62/64/83/572626483.db2.gz QZMQMGVGSHLCOU-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H]([NH3+])CNc1nccn1C 70010651 572626536 /nfs/dbraw/zinc/62/65/36/572626536.db2.gz ZFJRHBWVYYOROK-QMMMGPOBSA-N 1 3 182.271 0.815 10 0 ACAEHO CC(C)[C@H]([NH3+])CNc1nccn1C 70010647 572626565 /nfs/dbraw/zinc/62/65/65/572626565.db2.gz ZFJRHBWVYYOROK-MRVPVSSYSA-N 1 3 182.271 0.815 10 0 ACAEHO CC(C)N1C[C@H](C)C[N@H+](C)C[C@H]1CN 251736610 572626723 /nfs/dbraw/zinc/62/67/23/572626723.db2.gz QZMQMGVGSHLCOU-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)N1C[C@H](C)C[N@@H+](C)C[C@H]1CN 251736610 572626724 /nfs/dbraw/zinc/62/67/24/572626724.db2.gz QZMQMGVGSHLCOU-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CCCN(C)CC[NH2+]CC(C)(C)N 688686884 572626992 /nfs/dbraw/zinc/62/69/92/572626992.db2.gz QMWGXQAWKVKUAQ-UHFFFAOYSA-N 1 3 187.331 0.655 10 0 ACAEHO CCCN(C)CCNCC(C)(C)[NH3+] 688686884 572626999 /nfs/dbraw/zinc/62/69/99/572626999.db2.gz QMWGXQAWKVKUAQ-UHFFFAOYSA-N 1 3 187.331 0.655 10 0 ACAEHO C[C@@H](NCCCC[NH3+])c1cnccn1 70025352 572627531 /nfs/dbraw/zinc/62/75/31/572627531.db2.gz CXBRXUBOWCFEFL-SECBINFHSA-N 1 3 194.282 0.866 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@@H](CCO)CN1 251746831 572627752 /nfs/dbraw/zinc/62/77/52/572627752.db2.gz RZEQWFBWYDUKFJ-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@@H](CCO)CN1 251746831 572627756 /nfs/dbraw/zinc/62/77/56/572627756.db2.gz RZEQWFBWYDUKFJ-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO CN1CC[N@H+](CC2CCC2)C[C@H]1CN 250360009 572628021 /nfs/dbraw/zinc/62/80/21/572628021.db2.gz BVVISNDJXMYMNR-LLVKDONJSA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CC[N@@H+](CC2CCC2)C[C@H]1CN 250360009 572628024 /nfs/dbraw/zinc/62/80/24/572628024.db2.gz BVVISNDJXMYMNR-LLVKDONJSA-N 1 3 197.326 0.361 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H](C)N(C)C[C@@H]1CN 251747612 572628830 /nfs/dbraw/zinc/62/88/30/572628830.db2.gz RZQSUXHXBHRQSF-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)[N@H+]1CC[C@H](C)N(C)C[C@@H]1CN 251747612 572628834 /nfs/dbraw/zinc/62/88/34/572628834.db2.gz RZQSUXHXBHRQSF-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1CC[C@H](C)[N@H+](C)C[C@@H]1CN 251747612 572628839 /nfs/dbraw/zinc/62/88/39/572628839.db2.gz RZQSUXHXBHRQSF-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1CC[C@H](C)[N@@H+](C)C[C@@H]1CN 251747612 572628843 /nfs/dbraw/zinc/62/88/43/572628843.db2.gz RZQSUXHXBHRQSF-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1CC[N@H+](C)[C@@H](CCO)CN1 251746834 572629197 /nfs/dbraw/zinc/62/91/97/572629197.db2.gz RZEQWFBWYDUKFJ-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@H]1CC[N@@H+](C)[C@@H](CCO)CN1 251746834 572629200 /nfs/dbraw/zinc/62/92/00/572629200.db2.gz RZEQWFBWYDUKFJ-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@H]1C[N@H+](C(C)C)[C@@H](C)CN1C 251769988 572630157 /nfs/dbraw/zinc/63/01/57/572630157.db2.gz UZYQNVHZKTUYSJ-QWRGUYRKSA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@H]1C[N@@H+](C(C)C)[C@@H](C)CN1C 251769988 572630161 /nfs/dbraw/zinc/63/01/61/572630161.db2.gz UZYQNVHZKTUYSJ-QWRGUYRKSA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@H]1C[N@H+](C(C)C)[C@H](C)CN1C 251769986 572630255 /nfs/dbraw/zinc/63/02/55/572630255.db2.gz UZYQNVHZKTUYSJ-MNOVXSKESA-N 1 3 199.342 0.619 10 0 ACAEHO CNC[C@H]1C[N@@H+](C(C)C)[C@H](C)CN1C 251769986 572630261 /nfs/dbraw/zinc/63/02/61/572630261.db2.gz UZYQNVHZKTUYSJ-MNOVXSKESA-N 1 3 199.342 0.619 10 0 ACAEHO CN[C@@H](CO)c1ccc(C[NH3+])c(F)c1 238366512 572630983 /nfs/dbraw/zinc/63/09/83/572630983.db2.gz POLIXGFRJWHQFL-JTQLQIEISA-N 1 3 198.241 0.537 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CC2)[C@@H](CCO)CN1 251772890 572631642 /nfs/dbraw/zinc/63/16/42/572631642.db2.gz VICFUIAWVCWGAY-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CC2)[C@@H](CCO)CN1 251772890 572631645 /nfs/dbraw/zinc/63/16/45/572631645.db2.gz VICFUIAWVCWGAY-KOLCDFICSA-N 1 3 198.310 0.584 10 0 ACAEHO C[NH2+]CC[C@@H]1CN(C)C[C@@H](C)N1C 251771185 572631808 /nfs/dbraw/zinc/63/18/08/572631808.db2.gz VEEZIUHGQXJNGA-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+]CC[C@@H]1CN(C)C[C@H](C)N1C 251771187 572632932 /nfs/dbraw/zinc/63/29/32/572632932.db2.gz VEEZIUHGQXJNGA-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H](CCO)N1CCC[C@@H]1C[NH3+] 238368382 572632994 /nfs/dbraw/zinc/63/29/94/572632994.db2.gz DBRFENFGGSDTCG-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CCO)[N@@H+]1CCC[C@@H](CN)C1 238368317 572633076 /nfs/dbraw/zinc/63/30/76/572633076.db2.gz KQBHRFJOAIWSHX-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CCO)[N@H+]1CCC[C@@H](CN)C1 238368317 572633077 /nfs/dbraw/zinc/63/30/77/572633077.db2.gz KQBHRFJOAIWSHX-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CCO)N1CCC[C@@H](C[NH3+])C1 238368317 572633081 /nfs/dbraw/zinc/63/30/81/572633081.db2.gz KQBHRFJOAIWSHX-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1CC[N@H+](C2CC2)[C@@H](CCO)CN1 251772893 572633387 /nfs/dbraw/zinc/63/33/87/572633387.db2.gz VICFUIAWVCWGAY-ONGXEEELSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CC2)[C@@H](CCO)CN1 251772893 572633392 /nfs/dbraw/zinc/63/33/92/572633392.db2.gz VICFUIAWVCWGAY-ONGXEEELSA-N 1 3 198.310 0.584 10 0 ACAEHO COC[C@H](NC1CC([NH3+])C1)C(C)C 87652057 572637955 /nfs/dbraw/zinc/63/79/55/572637955.db2.gz ADJVTQVSHGQCQK-RTBKNWGFSA-N 1 3 186.299 0.737 10 0 ACAEHO [NH3+]C1CC(NCCc2ccco2)C1 87651342 572633491 /nfs/dbraw/zinc/63/34/91/572633491.db2.gz OPMLRJSYMVUDLB-UHFFFAOYSA-N 1 3 180.251 0.901 10 0 ACAEHO CC(C)OCCC[NH2+]C1CC(N)C1 87651270 572633497 /nfs/dbraw/zinc/63/34/97/572633497.db2.gz ORXSXAKOWKVTAA-UHFFFAOYSA-N 1 3 186.299 0.881 10 0 ACAEHO CC(C)OCCCNC1CC([NH3+])C1 87651270 572633502 /nfs/dbraw/zinc/63/35/02/572633502.db2.gz ORXSXAKOWKVTAA-UHFFFAOYSA-N 1 3 186.299 0.881 10 0 ACAEHO COCCC[NH2+]C1CC(N)C1 87651235 572633645 /nfs/dbraw/zinc/63/36/45/572633645.db2.gz FDQXYCUECUPTEX-UHFFFAOYSA-N 1 3 158.245 0.102 10 0 ACAEHO COCCCNC1CC([NH3+])C1 87651235 572633648 /nfs/dbraw/zinc/63/36/48/572633648.db2.gz FDQXYCUECUPTEX-UHFFFAOYSA-N 1 3 158.245 0.102 10 0 ACAEHO CCN1CCC[C@@H]1CNC1CC([NH3+])C1 87651146 572633836 /nfs/dbraw/zinc/63/38/36/572633836.db2.gz BTIFQZCQHQLRQG-VQXHTEKXSA-N 1 3 197.326 0.550 10 0 ACAEHO CN(C/C=C/C[NH3+])C[C@H]1CCCO1 85054885 572634200 /nfs/dbraw/zinc/63/42/00/572634200.db2.gz YTOVICLAZHIVGM-VMZHVLLKSA-N 1 3 184.283 0.612 10 0 ACAEHO CCN(C)CCN[C@@H]1CCC[NH2+]C1 54110585 572634383 /nfs/dbraw/zinc/63/43/83/572634383.db2.gz ZBTZFASQJOTFJV-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CN(C)C(C)(C)CNC1CC([NH3+])C1 87651201 572634404 /nfs/dbraw/zinc/63/44/04/572634404.db2.gz XEPRSYUFAQNESG-UHFFFAOYSA-N 1 3 185.315 0.406 10 0 ACAEHO C=COCCC[NH2+]C1CC(N)C1 87651268 572634618 /nfs/dbraw/zinc/63/46/18/572634618.db2.gz BSFKZSLUQXWUCY-UHFFFAOYSA-N 1 3 170.256 0.616 10 0 ACAEHO C=COCCCNC1CC([NH3+])C1 87651268 572634623 /nfs/dbraw/zinc/63/46/23/572634623.db2.gz BSFKZSLUQXWUCY-UHFFFAOYSA-N 1 3 170.256 0.616 10 0 ACAEHO [NH3+]C1CC(NCCc2ccccn2)C1 87651107 572634798 /nfs/dbraw/zinc/63/47/98/572634798.db2.gz PSRXAHGDUFZTOA-UHFFFAOYSA-N 1 3 191.278 0.703 10 0 ACAEHO CCCN1CCN(C/C=C/C[NH3+])CC1 85054729 572634829 /nfs/dbraw/zinc/63/48/29/572634829.db2.gz ORWGQYFLZXGKGM-ONEGZZNKSA-N 1 3 197.326 0.529 10 0 ACAEHO C[C@@H](CCO)[N@@H+]1CC[C@@H](CN)C1 238368526 572634966 /nfs/dbraw/zinc/63/49/66/572634966.db2.gz UILJMCYLZPNOTN-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CCO)[N@H+]1CC[C@@H](CN)C1 238368526 572634972 /nfs/dbraw/zinc/63/49/72/572634972.db2.gz UILJMCYLZPNOTN-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CCN1CCN(C/C=C/C[NH3+])CC1 85054730 572634989 /nfs/dbraw/zinc/63/49/89/572634989.db2.gz JHZUTMCEPVJQJU-ONEGZZNKSA-N 1 3 183.299 0.139 10 0 ACAEHO COC[C@H]1CCCN(C2CC([NH3+])C2)C1 234779261 572635069 /nfs/dbraw/zinc/63/50/69/572635069.db2.gz ZYQWXALOMFDMHB-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO COC[C@H]1CCC[N@@H+](C2CC(N)C2)C1 234779261 572635072 /nfs/dbraw/zinc/63/50/72/572635072.db2.gz ZYQWXALOMFDMHB-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO COC[C@H]1CCC[N@H+](C2CC(N)C2)C1 234779261 572635076 /nfs/dbraw/zinc/63/50/76/572635076.db2.gz ZYQWXALOMFDMHB-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO CCOCCC[NH2+]C1CC(N)C1 87651152 572635089 /nfs/dbraw/zinc/63/50/89/572635089.db2.gz OXOFXOADIVBSJR-UHFFFAOYSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H]2CCN(C)C[C@H]21 251759732 572635090 /nfs/dbraw/zinc/63/50/90/572635090.db2.gz UASZRJYZYLPEOW-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@H]2CC[N@H+](C)C[C@H]21 251759732 572635092 /nfs/dbraw/zinc/63/50/92/572635092.db2.gz UASZRJYZYLPEOW-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO CCOCCCNC1CC([NH3+])C1 87651152 572635094 /nfs/dbraw/zinc/63/50/94/572635094.db2.gz OXOFXOADIVBSJR-UHFFFAOYSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]1CCN[C@H]2CC[N@@H+](C)C[C@H]21 251759732 572635096 /nfs/dbraw/zinc/63/50/96/572635096.db2.gz UASZRJYZYLPEOW-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO COCCN(C)C/C=C/C[NH3+] 85054881 572635663 /nfs/dbraw/zinc/63/56/63/572635663.db2.gz ITYBAEGAGAZWPE-ONEGZZNKSA-N 1 3 158.245 0.080 10 0 ACAEHO CCN(CC)CCNC1CC([NH3+])C1 87651114 572635762 /nfs/dbraw/zinc/63/57/62/572635762.db2.gz WPJTXRFYKMGKOF-UHFFFAOYSA-N 1 3 185.315 0.408 10 0 ACAEHO NC1CC([NH2+]CCCn2ccnc2)C1 87651303 572636016 /nfs/dbraw/zinc/63/60/16/572636016.db2.gz XJSNHADVUDJHGL-UHFFFAOYSA-N 1 3 194.282 0.353 10 0 ACAEHO [NH3+]C1CC(NCCCn2ccnc2)C1 87651303 572636021 /nfs/dbraw/zinc/63/60/21/572636021.db2.gz XJSNHADVUDJHGL-UHFFFAOYSA-N 1 3 194.282 0.353 10 0 ACAEHO NC1CC([NH2+]CCCOCC2CC2)C1 87651262 572636131 /nfs/dbraw/zinc/63/61/31/572636131.db2.gz ATDUEVJOWFUDIV-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+]C1CC(NCCCOCC2CC2)C1 87651262 572636136 /nfs/dbraw/zinc/63/61/36/572636136.db2.gz ATDUEVJOWFUDIV-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(C)N1CCN(C/C=C/C[NH3+])CC1 85054825 572636214 /nfs/dbraw/zinc/63/62/14/572636214.db2.gz LBMJVGBNBDGABJ-ONEGZZNKSA-N 1 3 197.326 0.527 10 0 ACAEHO CCN1CCC[C@H]1CNC1CC([NH3+])C1 87651147 572636388 /nfs/dbraw/zinc/63/63/88/572636388.db2.gz BTIFQZCQHQLRQG-ILDUYXDCSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H]1CC[NH2+][C@@H]2CCN(C)C[C@@H]12 251759730 572636445 /nfs/dbraw/zinc/63/64/45/572636445.db2.gz UASZRJYZYLPEOW-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@@H]2CC[N@H+](C)C[C@@H]12 251759730 572636449 /nfs/dbraw/zinc/63/64/49/572636449.db2.gz UASZRJYZYLPEOW-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CCN[C@@H]2CC[N@@H+](C)C[C@@H]12 251759730 572636451 /nfs/dbraw/zinc/63/64/51/572636451.db2.gz UASZRJYZYLPEOW-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO COC1CCN(C/C=C/C[NH3+])CC1 85054799 572636610 /nfs/dbraw/zinc/63/66/10/572636610.db2.gz ZYZSSFHZFLNBFG-NSCUHMNNSA-N 1 3 184.283 0.612 10 0 ACAEHO CN(C/C=C/C[NH3+])C[C@@H]1CCCO1 85054884 572636676 /nfs/dbraw/zinc/63/66/76/572636676.db2.gz YTOVICLAZHIVGM-PBKGFPTLSA-N 1 3 184.283 0.612 10 0 ACAEHO C[C@@H](Cn1ccnc1)NC1CC([NH3+])C1 87651584 572637074 /nfs/dbraw/zinc/63/70/74/572637074.db2.gz FZHVRXWKCCDAMJ-IDKOKCKLSA-N 1 3 194.282 0.351 10 0 ACAEHO CC(C)[C@@H](CO)NC1CC([NH3+])C1 87652144 572637254 /nfs/dbraw/zinc/63/72/54/572637254.db2.gz VVVAQMPWWKBQJG-AMDVSUOASA-N 1 3 172.272 0.083 10 0 ACAEHO CC(C)[C@@H](CO)[NH2+]C1CC(N)C1 87652144 572637259 /nfs/dbraw/zinc/63/72/59/572637259.db2.gz VVVAQMPWWKBQJG-AMDVSUOASA-N 1 3 172.272 0.083 10 0 ACAEHO C[C@H](CN1CCCC1)NC1CC([NH3+])C1 87651758 572637352 /nfs/dbraw/zinc/63/73/52/572637352.db2.gz LBACBQNGEOGPOW-KPPDAEKUSA-N 1 3 197.326 0.550 10 0 ACAEHO CN[C@]1(C[NH3+])CCCC[C@@H]1OC 234516719 572637427 /nfs/dbraw/zinc/63/74/27/572637427.db2.gz MRYMRVRYPQMRBV-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO NC1CC([NH2+]CC[C@@H]2CCCO2)C1 87651711 572637507 /nfs/dbraw/zinc/63/75/07/572637507.db2.gz RQJHYGBOERGOPH-RTBKNWGFSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C1CC(NCC[C@@H]2CCCO2)C1 87651711 572637511 /nfs/dbraw/zinc/63/75/11/572637511.db2.gz RQJHYGBOERGOPH-RTBKNWGFSA-N 1 3 184.283 0.635 10 0 ACAEHO NC1CC([N@@H+]2CCC[C@H]2CCCO)C1 87653482 572637624 /nfs/dbraw/zinc/63/76/24/572637624.db2.gz LQFKNUXAUGKLQF-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1CC([N@H+]2CCC[C@H]2CCCO)C1 87653482 572637628 /nfs/dbraw/zinc/63/76/28/572637628.db2.gz LQFKNUXAUGKLQF-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C1CC(N2CCC[C@H]2CCCO)C1 87653482 572637632 /nfs/dbraw/zinc/63/76/32/572637632.db2.gz LQFKNUXAUGKLQF-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO CN[C@]1(C[NH3+])CCCC[C@H]1OC 234516751 572637641 /nfs/dbraw/zinc/63/76/41/572637641.db2.gz MRYMRVRYPQMRBV-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO COCC[C@@H](C)[NH2+]C1CC(N)C1 87652022 572637770 /nfs/dbraw/zinc/63/77/70/572637770.db2.gz SVRAXVIHAGLFLT-AFPNSQJFSA-N 1 3 172.272 0.491 10 0 ACAEHO COCC[C@@H](C)NC1CC([NH3+])C1 87652022 572637772 /nfs/dbraw/zinc/63/77/72/572637772.db2.gz SVRAXVIHAGLFLT-AFPNSQJFSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H](CCCO)[NH2+]C1CC(N)C1 87652171 572637783 /nfs/dbraw/zinc/63/77/83/572637783.db2.gz JQILIDDMZAXCPQ-UEJVZZJDSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@@H](CCCO)NC1CC([NH3+])C1 87652171 572637785 /nfs/dbraw/zinc/63/77/85/572637785.db2.gz JQILIDDMZAXCPQ-UEJVZZJDSA-N 1 3 172.272 0.227 10 0 ACAEHO COC(=O)CCC[NH2+]C1CC(N)C1 87651603 572637794 /nfs/dbraw/zinc/63/77/94/572637794.db2.gz YMOGHGDQBJQJBL-UHFFFAOYSA-N 1 3 186.255 0.019 10 0 ACAEHO C[C@@H]1CCN(C)[C@@H]2CC[NH2+]C[C@@H]12 251810541 572637849 /nfs/dbraw/zinc/63/78/49/572637849.db2.gz YTYBKRFELHNKNB-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@@H]2CCNC[C@@H]12 251810541 572637852 /nfs/dbraw/zinc/63/78/52/572637852.db2.gz YTYBKRFELHNKNB-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@@H]2CCNC[C@@H]12 251810541 572637855 /nfs/dbraw/zinc/63/78/55/572637855.db2.gz YTYBKRFELHNKNB-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO CCC(O)(CC)CNC1CC([NH3+])C1 87652061 572637857 /nfs/dbraw/zinc/63/78/57/572637857.db2.gz YXZFMZZVVKIZPK-UHFFFAOYSA-N 1 3 186.299 0.617 10 0 ACAEHO CCC(O)(CC)C[NH2+]C1CC(N)C1 87652061 572637860 /nfs/dbraw/zinc/63/78/60/572637860.db2.gz YXZFMZZVVKIZPK-UHFFFAOYSA-N 1 3 186.299 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCC[C@H]2CO)C1 87652105 572637874 /nfs/dbraw/zinc/63/78/74/572637874.db2.gz UNGBWCNINNZYDK-SAAXCQNUSA-N 1 3 198.310 0.474 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCC[C@H]2CO)C1 87652105 572637878 /nfs/dbraw/zinc/63/78/78/572637878.db2.gz UNGBWCNINNZYDK-SAAXCQNUSA-N 1 3 198.310 0.474 10 0 ACAEHO [NH3+]C1CC(NCCc2c[nH]cn2)C1 87652072 572638110 /nfs/dbraw/zinc/63/81/10/572638110.db2.gz AGKIIISEGYEEDB-UHFFFAOYSA-N 1 3 180.255 0.032 10 0 ACAEHO CCN(C1CC([NH3+])C1)[C@@H](C)COC 87653427 572638399 /nfs/dbraw/zinc/63/83/99/572638399.db2.gz KFBFSOFNKXJQOA-IDKOKCKLSA-N 1 3 186.299 0.833 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCC[C@@H]2CO)C1 87652106 572638436 /nfs/dbraw/zinc/63/84/36/572638436.db2.gz UNGBWCNINNZYDK-NKVNRFPTSA-N 1 3 198.310 0.474 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCC[C@@H]2CO)C1 87652106 572638438 /nfs/dbraw/zinc/63/84/38/572638438.db2.gz UNGBWCNINNZYDK-NKVNRFPTSA-N 1 3 198.310 0.474 10 0 ACAEHO CC[C@@](C)(O)CNC1CC([NH3+])C1 87652060 572638469 /nfs/dbraw/zinc/63/84/69/572638469.db2.gz PWUAAZADDZQBST-AMDVSUOASA-N 1 3 172.272 0.227 10 0 ACAEHO COC[C@H](C)NC[C@H]1CCC[NH2+]C1 87645981 572638499 /nfs/dbraw/zinc/63/84/99/572638499.db2.gz KMMMTCORQGVRES-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO COC[C@H](C)[NH2+]C[C@H]1CCCNC1 87645981 572638504 /nfs/dbraw/zinc/63/85/04/572638504.db2.gz KMMMTCORQGVRES-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@@H]1CCN(C)[C@H]2CC[NH2+]C[C@H]21 251810547 572638543 /nfs/dbraw/zinc/63/85/43/572638543.db2.gz YTYBKRFELHNKNB-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@H]2CCNC[C@H]21 251810547 572638547 /nfs/dbraw/zinc/63/85/47/572638547.db2.gz YTYBKRFELHNKNB-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@H]2CCNC[C@H]21 251810547 572638551 /nfs/dbraw/zinc/63/85/51/572638551.db2.gz YTYBKRFELHNKNB-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO COCC[C@H](C)[NH2+]C1CC(N)C1 87652021 572638621 /nfs/dbraw/zinc/63/86/21/572638621.db2.gz SVRAXVIHAGLFLT-UEJVZZJDSA-N 1 3 172.272 0.491 10 0 ACAEHO COCC[C@H](C)NC1CC([NH3+])C1 87652021 572638624 /nfs/dbraw/zinc/63/86/24/572638624.db2.gz SVRAXVIHAGLFLT-UEJVZZJDSA-N 1 3 172.272 0.491 10 0 ACAEHO NC1CC([NH2+]CC[C@H]2CCCO2)C1 87651710 572638859 /nfs/dbraw/zinc/63/88/59/572638859.db2.gz RQJHYGBOERGOPH-UDNWOFFPSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C1CC(NCC[C@H]2CCCO2)C1 87651710 572638861 /nfs/dbraw/zinc/63/88/61/572638861.db2.gz RQJHYGBOERGOPH-UDNWOFFPSA-N 1 3 184.283 0.635 10 0 ACAEHO CCOCCNC1CC([NH3+])C1 87651367 572638887 /nfs/dbraw/zinc/63/88/87/572638887.db2.gz VIBWXYWKTYWFTR-UHFFFAOYSA-N 1 3 158.245 0.102 10 0 ACAEHO C[C@@H]1CCN(C)[C@@H]2CC[NH2+]C[C@H]12 251810545 572639298 /nfs/dbraw/zinc/63/92/98/572639298.db2.gz YTYBKRFELHNKNB-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO CCCCN(CCO)C1CC([NH3+])C1 87653340 572638981 /nfs/dbraw/zinc/63/89/81/572638981.db2.gz YSCLEHWASRHGMU-UHFFFAOYSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](Cn1cccn1)NC1CC([NH3+])C1 87651583 572639024 /nfs/dbraw/zinc/63/90/24/572639024.db2.gz INGVLDCBCWBDKB-XNWIYYODSA-N 1 3 194.282 0.351 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@@H]2CCNC[C@H]12 251810545 572639301 /nfs/dbraw/zinc/63/93/01/572639301.db2.gz YTYBKRFELHNKNB-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H](CCCO)[NH2+]C1CC(N)C1 87652172 572639088 /nfs/dbraw/zinc/63/90/88/572639088.db2.gz JQILIDDMZAXCPQ-AFPNSQJFSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)[C@H](CN(C)C)NC1CC([NH3+])C1 87651765 572639077 /nfs/dbraw/zinc/63/90/77/572639077.db2.gz GXINVCCDPSDCSF-ILDUYXDCSA-N 1 3 199.342 0.652 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@@H]2CCNC[C@H]12 251810545 572639305 /nfs/dbraw/zinc/63/93/05/572639305.db2.gz YTYBKRFELHNKNB-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H](CCCO)NC1CC([NH3+])C1 87652172 572639093 /nfs/dbraw/zinc/63/90/93/572639093.db2.gz JQILIDDMZAXCPQ-AFPNSQJFSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@@H](CCO)C[NH2+]C1CC(N)C1 87652118 572639113 /nfs/dbraw/zinc/63/91/13/572639113.db2.gz HGGCLFSSIGMQNB-UEJVZZJDSA-N 1 3 172.272 0.084 10 0 ACAEHO C[C@@H](CCO)CNC1CC([NH3+])C1 87652118 572639115 /nfs/dbraw/zinc/63/91/15/572639115.db2.gz HGGCLFSSIGMQNB-UEJVZZJDSA-N 1 3 172.272 0.084 10 0 ACAEHO CNC[C@@H]1C[N@H+](C)CC[C@@H](C)N1C 251762661 572639145 /nfs/dbraw/zinc/63/91/45/572639145.db2.gz UHUKMECXARQMSU-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO CNC[C@@H]1C[N@@H+](C)CC[C@@H](C)N1C 251762661 572639150 /nfs/dbraw/zinc/63/91/50/572639150.db2.gz UHUKMECXARQMSU-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO NC1CC([NH2+]CCc2cccnc2)C1 87651625 572639310 /nfs/dbraw/zinc/63/93/10/572639310.db2.gz QCDQWFZMISYOLP-UHFFFAOYSA-N 1 3 191.278 0.703 10 0 ACAEHO COC[C@@H](C)C[NH2+]C1CC(N)C1 87651834 572639262 /nfs/dbraw/zinc/63/92/62/572639262.db2.gz NWORTAVLFGURFV-UEJVZZJDSA-N 1 3 172.272 0.348 10 0 ACAEHO COC[C@@H](C)CNC1CC([NH3+])C1 87651834 572639267 /nfs/dbraw/zinc/63/92/67/572639267.db2.gz NWORTAVLFGURFV-UEJVZZJDSA-N 1 3 172.272 0.348 10 0 ACAEHO CC[C@@H](CCO)CNC1CC([NH3+])C1 87652173 572641217 /nfs/dbraw/zinc/64/12/17/572641217.db2.gz ZUVHPAUFZWYELQ-IDKOKCKLSA-N 1 3 186.299 0.474 10 0 ACAEHO CCOC[C@H](C)NC1CC([NH3+])C1 87651815 572639562 /nfs/dbraw/zinc/63/95/62/572639562.db2.gz VNQHCAORHKUKOO-UEJVZZJDSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H](CNC1CC([NH3+])C1)N(C)C 87651707 572639711 /nfs/dbraw/zinc/63/97/11/572639711.db2.gz ZMSYSYIGRVONHL-AFPNSQJFSA-N 1 3 171.288 0.016 10 0 ACAEHO C[C@@H](Cn1cccn1)NC1CC([NH3+])C1 87651582 572641222 /nfs/dbraw/zinc/64/12/22/572641222.db2.gz INGVLDCBCWBDKB-IDKOKCKLSA-N 1 3 194.282 0.351 10 0 ACAEHO C[C@@H](CO)[N@@H+]1CCCC[C@@H]1CCN 238373353 572641223 /nfs/dbraw/zinc/64/12/23/572641223.db2.gz IMAHMODNXWSAQC-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CO)[N@H+]1CCCC[C@@H]1CCN 238373353 572641225 /nfs/dbraw/zinc/64/12/25/572641225.db2.gz IMAHMODNXWSAQC-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CO)N1CCCC[C@@H]1CC[NH3+] 238373353 572641228 /nfs/dbraw/zinc/64/12/28/572641228.db2.gz IMAHMODNXWSAQC-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CCOC[C@@H](C)NC1CC([NH3+])C1 87651814 572640015 /nfs/dbraw/zinc/64/00/15/572640015.db2.gz VNQHCAORHKUKOO-AFPNSQJFSA-N 1 3 172.272 0.491 10 0 ACAEHO CCN(C/C=C/C[NH3+])CCOC 85054904 572640093 /nfs/dbraw/zinc/64/00/93/572640093.db2.gz JZLLYEKEEFVGHY-SNAWJCMRSA-N 1 3 172.272 0.470 10 0 ACAEHO CCCN(CCO)C1CC([NH3+])C1 87653315 572640103 /nfs/dbraw/zinc/64/01/03/572640103.db2.gz WBQVVWKZPYPCQM-UHFFFAOYSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(C)CCNC1CC([NH3+])C1 87651887 572640155 /nfs/dbraw/zinc/64/01/55/572640155.db2.gz BNELRCVHWHWMBE-UHFFFAOYSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@@H](CNC1CC([NH3+])C1)N(C)C 87651706 572640163 /nfs/dbraw/zinc/64/01/63/572640163.db2.gz ZMSYSYIGRVONHL-UEJVZZJDSA-N 1 3 171.288 0.016 10 0 ACAEHO CNC[C@@H]1C[N@H+](C)CC[C@H](C)N1C 251762662 572640165 /nfs/dbraw/zinc/64/01/65/572640165.db2.gz UHUKMECXARQMSU-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CNC[C@@H]1C[N@@H+](C)CC[C@H](C)N1C 251762662 572640166 /nfs/dbraw/zinc/64/01/66/572640166.db2.gz UHUKMECXARQMSU-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@H](Cn1ccnc1)NC1CC([NH3+])C1 87651585 572640180 /nfs/dbraw/zinc/64/01/80/572640180.db2.gz FZHVRXWKCCDAMJ-XNWIYYODSA-N 1 3 194.282 0.351 10 0 ACAEHO C[C@@H](CN1CCCC1)NC1CC([NH3+])C1 87651757 572640257 /nfs/dbraw/zinc/64/02/57/572640257.db2.gz LBACBQNGEOGPOW-WHXUTIOJSA-N 1 3 197.326 0.550 10 0 ACAEHO NC1CC([N@@H+]2[C@H]3CC[C@@H]2CC(O)C3)C1 87653564 572640304 /nfs/dbraw/zinc/64/03/04/572640304.db2.gz TVCBRVGHLWSHMC-YFYNPKGQSA-N 1 3 196.294 0.464 10 0 ACAEHO NC1CC([N@H+]2[C@H]3CC[C@@H]2CC(O)C3)C1 87653564 572640307 /nfs/dbraw/zinc/64/03/07/572640307.db2.gz TVCBRVGHLWSHMC-YFYNPKGQSA-N 1 3 196.294 0.464 10 0 ACAEHO CN(CCNC1CC([NH3+])C1)C1CC1 87651914 572640326 /nfs/dbraw/zinc/64/03/26/572640326.db2.gz JUHVASKGDSAVOQ-UHFFFAOYSA-N 1 3 183.299 0.160 10 0 ACAEHO [NH3+]C/C=C/CN1CCN(C2CC2)CC1 85054896 572640360 /nfs/dbraw/zinc/64/03/60/572640360.db2.gz HGCBPZXBVGRDGW-OWOJBTEDSA-N 1 3 195.310 0.281 10 0 ACAEHO CC[C@H](COC)NC1CC([NH3+])C1 87651997 572640440 /nfs/dbraw/zinc/64/04/40/572640440.db2.gz CPZFFNDVXNWGMK-QJAFJHJLSA-N 1 3 172.272 0.491 10 0 ACAEHO CC[C@H](CCO)C[NH2+]C1CC(N)C1 87652174 572640467 /nfs/dbraw/zinc/64/04/67/572640467.db2.gz ZUVHPAUFZWYELQ-XNWIYYODSA-N 1 3 186.299 0.474 10 0 ACAEHO CC[C@H](CCO)CNC1CC([NH3+])C1 87652174 572640470 /nfs/dbraw/zinc/64/04/70/572640470.db2.gz ZUVHPAUFZWYELQ-XNWIYYODSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H](CCO)C[NH2+]C1CC(N)C1 87652119 572640499 /nfs/dbraw/zinc/64/04/99/572640499.db2.gz HGGCLFSSIGMQNB-AFPNSQJFSA-N 1 3 172.272 0.084 10 0 ACAEHO 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/nfs/dbraw/zinc/64/17/96/572641796.db2.gz UAWSAQAKXCEIND-UHFFFAOYSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[N@@H+](CC(C)(C)O)C1CC(N)C1 87653644 572641797 /nfs/dbraw/zinc/64/17/97/572641797.db2.gz UAWSAQAKXCEIND-UHFFFAOYSA-N 1 3 186.299 0.569 10 0 ACAEHO COC[C@@H](C)N(C)C/C=C/C[NH3+] 85054909 572641853 /nfs/dbraw/zinc/64/18/53/572641853.db2.gz OJBGKLMOEAMEDQ-XNPJLODASA-N 1 3 172.272 0.468 10 0 ACAEHO C[C@H]1CN(C2CC2)[C@@H](CC[NH3+])CN1C 251780057 572641877 /nfs/dbraw/zinc/64/18/77/572641877.db2.gz WBRCEJJDGRYVRK-ONGXEEELSA-N 1 3 197.326 0.502 10 0 ACAEHO NC1CC([N@H+](CCO)C2CCCC2)C1 87653396 572641998 /nfs/dbraw/zinc/64/19/98/572641998.db2.gz AFCILOSVSGTOGW-UHFFFAOYSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1CC([N@@H+](CCO)C2CCCC2)C1 87653396 572642003 /nfs/dbraw/zinc/64/20/03/572642003.db2.gz AFCILOSVSGTOGW-UHFFFAOYSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C1CC(N(CCO)C2CCCC2)C1 87653396 572642009 /nfs/dbraw/zinc/64/20/09/572642009.db2.gz AFCILOSVSGTOGW-UHFFFAOYSA-N 1 3 198.310 0.713 10 0 ACAEHO 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/nfs/dbraw/zinc/64/32/59/572643259.db2.gz ILKXBLDPSXBAPR-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H]1CC[N@H+](C)C[C@@H](N)C1 251783930 572643319 /nfs/dbraw/zinc/64/33/19/572643319.db2.gz WKEVGZBDUCZKBE-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)C[C@@H](N)C1 251783930 572643323 /nfs/dbraw/zinc/64/33/23/572643323.db2.gz WKEVGZBDUCZKBE-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](O)CCNC[C@@H]1CCC[NH2+]C1 87647443 572643600 /nfs/dbraw/zinc/64/36/00/572643600.db2.gz ILKXBLDPSXBAPR-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H](CO)C[NH2+]C[C@@H]1CCCNC1 87647469 572643672 /nfs/dbraw/zinc/64/36/72/572643672.db2.gz PMGHXYBWPNDRSO-NXEZZACHSA-N 1 3 186.299 0.204 10 0 ACAEHO C[C@@H](CO)CNC[C@@H]1CCC[NH2+]C1 87647469 572643675 /nfs/dbraw/zinc/64/36/75/572643675.db2.gz PMGHXYBWPNDRSO-NXEZZACHSA-N 1 3 186.299 0.204 10 0 ACAEHO CC1(CNC[C@@H]2CCC[NH2+]C2)COC1 87647710 572645629 /nfs/dbraw/zinc/64/56/29/572645629.db2.gz QGAOTHFXTLSOQT-SNVBAGLBSA-N 1 3 198.310 0.612 10 0 ACAEHO C[NH2+]CC[C@H]1CN(C)[C@H](C)CN1C 251795310 572644007 /nfs/dbraw/zinc/64/40/07/572644007.db2.gz XLUSXHKJAHSAFS-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO CC[C@@H](CO)NC[C@H]1CCC[NH2+]C1 87646223 572644252 /nfs/dbraw/zinc/64/42/52/572644252.db2.gz NIWNKWSRBPTXTN-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[C@@H](CO)[NH2+]C[C@H]1CCCNC1 87646223 572644255 /nfs/dbraw/zinc/64/42/55/572644255.db2.gz NIWNKWSRBPTXTN-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO CCN(C)CCNC[C@H]1CCC[NH2+]C1 87647111 572644407 /nfs/dbraw/zinc/64/44/07/572644407.db2.gz XPCNCLGUEWZLDU-NSHDSACASA-N 1 3 199.342 0.527 10 0 ACAEHO OC1CC(C[NH2+]C[C@H]2CCCNC2)C1 87647595 572644433 /nfs/dbraw/zinc/64/44/33/572644433.db2.gz INQPRCRBVBPWIH-WHXUTIOJSA-N 1 3 198.310 0.347 10 0 ACAEHO CCOCCNC[C@H]1CCC[NH2+]C1 87646480 572644502 /nfs/dbraw/zinc/64/45/02/572644502.db2.gz DFPYCSTWPYKIGI-JTQLQIEISA-N 1 3 186.299 0.612 10 0 ACAEHO CCOCC[NH2+]C[C@H]1CCCNC1 87646480 572644503 /nfs/dbraw/zinc/64/45/03/572644503.db2.gz DFPYCSTWPYKIGI-JTQLQIEISA-N 1 3 186.299 0.612 10 0 ACAEHO C[C@H]1CC[N@H+](C)[C@@H](C)CN1 251792950 572644584 /nfs/dbraw/zinc/64/45/84/572644584.db2.gz XFTWOLLKEDYGAJ-YUMQZZPRSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@H]1CC[N@@H+](C)[C@@H](C)CN1 251792950 572644589 /nfs/dbraw/zinc/64/45/89/572644589.db2.gz XFTWOLLKEDYGAJ-YUMQZZPRSA-N 1 3 142.246 0.689 10 0 ACAEHO C[C@@H](O)CC[C@@H](C)[NH2+]CCCN 238379122 572644634 /nfs/dbraw/zinc/64/46/34/572644634.db2.gz QZZGWYMHVVYSLH-RKDXNWHRSA-N 1 3 174.288 0.474 10 0 ACAEHO CC1(C[NH2+]C[C@H]2CCCNC2)COC1 87647711 572644676 /nfs/dbraw/zinc/64/46/76/572644676.db2.gz QGAOTHFXTLSOQT-JTQLQIEISA-N 1 3 198.310 0.612 10 0 ACAEHO CC1(CNC[C@H]2CCC[NH2+]C2)COC1 87647711 572644681 /nfs/dbraw/zinc/64/46/81/572644681.db2.gz QGAOTHFXTLSOQT-JTQLQIEISA-N 1 3 198.310 0.612 10 0 ACAEHO C[NH2+]CC[C@H]1CN(C)[C@@H](C)CN1C 251795306 572644873 /nfs/dbraw/zinc/64/48/73/572644873.db2.gz XLUSXHKJAHSAFS-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO CO[C@@H](CN)[C@@H]([NH3+])Cc1ccccc1 238378882 572644904 /nfs/dbraw/zinc/64/49/04/572644904.db2.gz WAHLOLXNHPDONB-QWRGUYRKSA-N 1 3 194.278 0.530 10 0 ACAEHO CCCCC[C@](C)(C[NH3+])NCCO 87648366 572644925 /nfs/dbraw/zinc/64/49/25/572644925.db2.gz ZWGSAOIOWSKPHT-SNVBAGLBSA-N 1 3 188.315 0.866 10 0 ACAEHO C[C@H](CO)C[NH2+]C[C@@H]1CCCNC1 87647468 572645171 /nfs/dbraw/zinc/64/51/71/572645171.db2.gz PMGHXYBWPNDRSO-VHSXEESVSA-N 1 3 186.299 0.204 10 0 ACAEHO C[C@H](CO)CNC[C@@H]1CCC[NH2+]C1 87647468 572645176 /nfs/dbraw/zinc/64/51/76/572645176.db2.gz PMGHXYBWPNDRSO-VHSXEESVSA-N 1 3 186.299 0.204 10 0 ACAEHO CO[C@@H](CN)[C@H]([NH3+])Cc1ccccc1 238378938 572645200 /nfs/dbraw/zinc/64/52/00/572645200.db2.gz WAHLOLXNHPDONB-MNOVXSKESA-N 1 3 194.278 0.530 10 0 ACAEHO C[C@H](O)CCNC[C@H]1CCC[NH2+]C1 87647447 572645246 /nfs/dbraw/zinc/64/52/46/572645246.db2.gz ILKXBLDPSXBAPR-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@H](O)CC[NH2+]C[C@H]1CCCNC1 87647447 572645251 /nfs/dbraw/zinc/64/52/51/572645251.db2.gz ILKXBLDPSXBAPR-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[C@H](CO)NC[C@H]1CCC[NH2+]C1 87646225 572645324 /nfs/dbraw/zinc/64/53/24/572645324.db2.gz NIWNKWSRBPTXTN-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[C@H](CO)[NH2+]C[C@H]1CCCNC1 87646225 572645327 /nfs/dbraw/zinc/64/53/27/572645327.db2.gz NIWNKWSRBPTXTN-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO OC1CC(C[NH2+]C[C@@H]2CCCNC2)C1 87647598 572645437 /nfs/dbraw/zinc/64/54/37/572645437.db2.gz INQPRCRBVBPWIH-KPPDAEKUSA-N 1 3 198.310 0.347 10 0 ACAEHO CC1(C[NH2+]C[C@@H]2CCCNC2)COC1 87647710 572645624 /nfs/dbraw/zinc/64/56/24/572645624.db2.gz QGAOTHFXTLSOQT-SNVBAGLBSA-N 1 3 198.310 0.612 10 0 ACAEHO C[C@H](CO)C[NH2+]C[C@H]1CCCNC1 87647472 572645637 /nfs/dbraw/zinc/64/56/37/572645637.db2.gz PMGHXYBWPNDRSO-UWVGGRQHSA-N 1 3 186.299 0.204 10 0 ACAEHO C[C@H](CO)CNC[C@H]1CCC[NH2+]C1 87647472 572645640 /nfs/dbraw/zinc/64/56/40/572645640.db2.gz PMGHXYBWPNDRSO-UWVGGRQHSA-N 1 3 186.299 0.204 10 0 ACAEHO CCN(C)CCNC[C@@H]1CCC[NH2+]C1 87647109 572645664 /nfs/dbraw/zinc/64/56/64/572645664.db2.gz XPCNCLGUEWZLDU-LLVKDONJSA-N 1 3 199.342 0.527 10 0 ACAEHO CCOCCNC[C@@H]1CCC[NH2+]C1 87646479 572645681 /nfs/dbraw/zinc/64/56/81/572645681.db2.gz DFPYCSTWPYKIGI-SNVBAGLBSA-N 1 3 186.299 0.612 10 0 ACAEHO CCOCC[NH2+]C[C@@H]1CCCNC1 87646479 572645685 /nfs/dbraw/zinc/64/56/85/572645685.db2.gz DFPYCSTWPYKIGI-SNVBAGLBSA-N 1 3 186.299 0.612 10 0 ACAEHO CC[C@@H](C)N1CCN(C)C[C@H]1CC[NH3+] 252033587 572645729 /nfs/dbraw/zinc/64/57/29/572645729.db2.gz ZUBPATATWLEQRJ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](CNC[C@H]1CCC[NH2+]C1)N(C)C 87646774 572645760 /nfs/dbraw/zinc/64/57/60/572645760.db2.gz LEUBLXOSIWILNA-MNOVXSKESA-N 1 3 199.342 0.526 10 0 ACAEHO C[N@H+](CCC1CC1)C[C@H](O)CN 308085454 572645927 /nfs/dbraw/zinc/64/59/27/572645927.db2.gz NKORJGXOVCJWOB-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO C[N@@H+](CCC1CC1)C[C@H](O)CN 308085454 572645930 /nfs/dbraw/zinc/64/59/30/572645930.db2.gz NKORJGXOVCJWOB-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CN(CCC1CC1)C[C@H](O)C[NH3+] 308085454 572645935 /nfs/dbraw/zinc/64/59/35/572645935.db2.gz NKORJGXOVCJWOB-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](O)CCNC[C@@H]1CCC[NH2+]C1 87647445 572645947 /nfs/dbraw/zinc/64/59/47/572645947.db2.gz ILKXBLDPSXBAPR-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H](O)CC[NH2+]C[C@@H]1CCCNC1 87647445 572645949 /nfs/dbraw/zinc/64/59/49/572645949.db2.gz ILKXBLDPSXBAPR-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)C[C@@H](C)[NH2+]1 251802410 572646016 /nfs/dbraw/zinc/64/60/16/572646016.db2.gz YBFGHPGJOCUVNK-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)(O)C[NH2+]C[C@@H]1CCCNC1 87647482 572646105 /nfs/dbraw/zinc/64/61/05/572646105.db2.gz MQXDAAZNCAGVCY-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC(C)(O)CNC[C@@H]1CCC[NH2+]C1 87647482 572646108 /nfs/dbraw/zinc/64/61/08/572646108.db2.gz MQXDAAZNCAGVCY-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H](CNC[C@@H]1CCC[NH2+]C1)N(C)C 87646769 572646191 /nfs/dbraw/zinc/64/61/91/572646191.db2.gz LEUBLXOSIWILNA-WDEREUQCSA-N 1 3 199.342 0.526 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCCN(C)CC1 48249914 572646220 /nfs/dbraw/zinc/64/62/20/572646220.db2.gz RBCOWNCFKDTHRH-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@@H](CO)C[NH2+]C[C@H]1CCCNC1 87647473 572646270 /nfs/dbraw/zinc/64/62/70/572646270.db2.gz PMGHXYBWPNDRSO-ZJUUUORDSA-N 1 3 186.299 0.204 10 0 ACAEHO C[C@@H](CO)CNC[C@H]1CCC[NH2+]C1 87647473 572646273 /nfs/dbraw/zinc/64/62/73/572646273.db2.gz PMGHXYBWPNDRSO-ZJUUUORDSA-N 1 3 186.299 0.204 10 0 ACAEHO CCC[NH2+]C[C@](C)(O)[C@H](C)NCC 85076744 572646629 /nfs/dbraw/zinc/64/66/29/572646629.db2.gz IUPOXFWGLBXSRG-UWVGGRQHSA-N 1 3 188.315 0.735 10 0 ACAEHO CCCNC[C@](C)(O)[C@H](C)[NH2+]CC 85076744 572646635 /nfs/dbraw/zinc/64/66/35/572646635.db2.gz IUPOXFWGLBXSRG-UWVGGRQHSA-N 1 3 188.315 0.735 10 0 ACAEHO CC(C)NC[C@@](C)(O)[C@H]1CCC[NH2+]1 85077328 572646835 /nfs/dbraw/zinc/64/68/35/572646835.db2.gz LUDLCJCKQQVCBQ-NXEZZACHSA-N 1 3 186.299 0.487 10 0 ACAEHO CC[C@@H]1C[C@H](C)[NH2+]C[C@H]1CN 251801418 572646837 /nfs/dbraw/zinc/64/68/37/572646837.db2.gz YFXKGVHSYFZRIW-DJLDLDEBSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(C)NC[C@](C)(O)[C@H]1CCC[NH2+]1 85077324 572647110 /nfs/dbraw/zinc/64/71/10/572647110.db2.gz LUDLCJCKQQVCBQ-ZJUUUORDSA-N 1 3 186.299 0.487 10 0 ACAEHO CC(C)NC[C@](C)(O)[C@@H]1CCC[NH2+]1 85077320 572647478 /nfs/dbraw/zinc/64/74/78/572647478.db2.gz LUDLCJCKQQVCBQ-UWVGGRQHSA-N 1 3 186.299 0.487 10 0 ACAEHO CCCNC[C@@](C)(O)[C@H]1CCC[NH2+]1 85076625 572647636 /nfs/dbraw/zinc/64/76/36/572647636.db2.gz ONWCZOKRYQITTD-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[NH2+]C[C@](C)(O)[C@@H]1CCCCN1 85076239 572647712 /nfs/dbraw/zinc/64/77/12/572647712.db2.gz ZAAJLXWUWVAMJY-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCNC[C@](C)(O)[C@@H]1CCCC[NH2+]1 85076239 572647716 /nfs/dbraw/zinc/64/77/16/572647716.db2.gz ZAAJLXWUWVAMJY-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[C@H](C)N1CCN(C)C[C@H]1CC[NH3+] 252033588 572647761 /nfs/dbraw/zinc/64/77/61/572647761.db2.gz ZUBPATATWLEQRJ-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CCS[C@@H]2CC[C@@H]([NH3+])C[C@H]21 250367236 572647885 /nfs/dbraw/zinc/64/78/85/572647885.db2.gz GSIWXCSVUQVWOF-IWSPIJDZSA-N 1 3 186.324 0.913 10 0 ACAEHO C[C@@H]1CCN(CCN(C)C)C[C@@H](C)[NH2+]1 251802408 572647967 /nfs/dbraw/zinc/64/79/67/572647967.db2.gz YBFGHPGJOCUVNK-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCCNC[C@](C)(O)[C@H]1CCC[NH2+]1 85076623 572648018 /nfs/dbraw/zinc/64/80/18/572648018.db2.gz ONWCZOKRYQITTD-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[C@@H]1C[C@@H](C)[NH2+]C[C@H]1CN 251801420 572648081 /nfs/dbraw/zinc/64/80/81/572648081.db2.gz YFXKGVHSYFZRIW-IWSPIJDZSA-N 1 3 156.273 0.969 10 0 ACAEHO CCCNC[C@](C)(O)[C@@H]1CCC[NH2+]1 85076618 572648096 /nfs/dbraw/zinc/64/80/96/572648096.db2.gz ONWCZOKRYQITTD-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCN1C[C@H](C)CN(C)[C@@H](C[NH2+]C)C1 250242325 572648143 /nfs/dbraw/zinc/64/81/43/572648143.db2.gz HMXJVINJVBSKNB-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO CCNC[C@@](C)(O)[C@H]1CCCC[NH2+]1 85076247 572648287 /nfs/dbraw/zinc/64/82/87/572648287.db2.gz ZAAJLXWUWVAMJY-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[NH2+]C[C@](C)(O)[C@@H](C)NCC 85076737 572648205 /nfs/dbraw/zinc/64/82/05/572648205.db2.gz IUPOXFWGLBXSRG-ZJUUUORDSA-N 1 3 188.315 0.735 10 0 ACAEHO CCCNC[C@](C)(O)[C@@H](C)[NH2+]CC 85076737 572648208 /nfs/dbraw/zinc/64/82/08/572648208.db2.gz IUPOXFWGLBXSRG-ZJUUUORDSA-N 1 3 188.315 0.735 10 0 ACAEHO CC[NH2+]C[C@@](C)(O)[C@H]1CCCCN1 85076247 572648282 /nfs/dbraw/zinc/64/82/82/572648282.db2.gz ZAAJLXWUWVAMJY-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[NH2+]C[C@@](C)(O)[C@@H](C)NCC 85076741 572648324 /nfs/dbraw/zinc/64/83/24/572648324.db2.gz IUPOXFWGLBXSRG-NXEZZACHSA-N 1 3 188.315 0.735 10 0 ACAEHO CCCNC[C@@](C)(O)[C@@H](C)[NH2+]CC 85076741 572648329 /nfs/dbraw/zinc/64/83/29/572648329.db2.gz IUPOXFWGLBXSRG-NXEZZACHSA-N 1 3 188.315 0.735 10 0 ACAEHO CCN1C[C@H](C[NH2+]C)N(C)C[C@H](C)C1 250242333 572648401 /nfs/dbraw/zinc/64/84/01/572648401.db2.gz HMXJVINJVBSKNB-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO CCCNC[C@@](C)(O)[C@@H]1CCC[NH2+]1 85076620 572648504 /nfs/dbraw/zinc/64/85/04/572648504.db2.gz ONWCZOKRYQITTD-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[NH2+]C[C@@](C)(O)[C@H](C)NCC 85076747 572648586 /nfs/dbraw/zinc/64/85/86/572648586.db2.gz IUPOXFWGLBXSRG-VHSXEESVSA-N 1 3 188.315 0.735 10 0 ACAEHO CCCNC[C@@](C)(O)[C@H](C)[NH2+]CC 85076747 572648591 /nfs/dbraw/zinc/64/85/91/572648591.db2.gz IUPOXFWGLBXSRG-VHSXEESVSA-N 1 3 188.315 0.735 10 0 ACAEHO CN1CCS[C@@H]2CC[C@H]([NH3+])C[C@H]21 250367233 572648632 /nfs/dbraw/zinc/64/86/32/572648632.db2.gz GSIWXCSVUQVWOF-DJLDLDEBSA-N 1 3 186.324 0.913 10 0 ACAEHO CN1CC[N@@H+](C2CCC2)C[C@H]1CN 250362551 572648664 /nfs/dbraw/zinc/64/86/64/572648664.db2.gz DJSVMSGLBZWILH-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[N@H+](C2CCC2)C[C@H]1CN 250362551 572648669 /nfs/dbraw/zinc/64/86/69/572648669.db2.gz DJSVMSGLBZWILH-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CC(C)NC[C@@](C)(O)[C@@H]1CCC[NH2+]1 85077322 572648735 /nfs/dbraw/zinc/64/87/35/572648735.db2.gz LUDLCJCKQQVCBQ-VHSXEESVSA-N 1 3 186.299 0.487 10 0 ACAEHO CC[NH2+]C[C@](C)(O)[C@H]1CCCCN1 85076245 572649229 /nfs/dbraw/zinc/64/92/29/572649229.db2.gz ZAAJLXWUWVAMJY-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CCNC[C@](C)(O)[C@H]1CCCC[NH2+]1 85076245 572649236 /nfs/dbraw/zinc/64/92/36/572649236.db2.gz ZAAJLXWUWVAMJY-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[NH2+]C[C@@](C)(O)[C@@H]1CCCCN1 85076242 572649280 /nfs/dbraw/zinc/64/92/80/572649280.db2.gz ZAAJLXWUWVAMJY-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CCNC[C@@](C)(O)[C@@H]1CCCC[NH2+]1 85076242 572649282 /nfs/dbraw/zinc/64/92/82/572649282.db2.gz ZAAJLXWUWVAMJY-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CN1CCS[C@@H]2CC[C@H]([NH3+])C[C@@H]21 250367239 572649587 /nfs/dbraw/zinc/64/95/87/572649587.db2.gz GSIWXCSVUQVWOF-XHNCKOQMSA-N 1 3 186.324 0.913 10 0 ACAEHO CCN[C@@H](C)[C@](C)(O)C[NH2+]C(C)C 85077435 572649948 /nfs/dbraw/zinc/64/99/48/572649948.db2.gz GDOPNKYNTZWPRL-VHSXEESVSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@@H](C)[C@](C)(O)CNC(C)C 85077435 572649953 /nfs/dbraw/zinc/64/99/53/572649953.db2.gz GDOPNKYNTZWPRL-VHSXEESVSA-N 1 3 188.315 0.733 10 0 ACAEHO CCN[C@H](C)[C@](C)(O)C[NH2+]C1CC1 85078093 572649988 /nfs/dbraw/zinc/64/99/88/572649988.db2.gz GRWKOZUKSFXLEO-PSASIEDQSA-N 1 3 186.299 0.487 10 0 ACAEHO CCN[C@H](C)[C@@](C)(O)C[NH2+]C1CC1 85078098 572650073 /nfs/dbraw/zinc/65/00/73/572650073.db2.gz GRWKOZUKSFXLEO-SCZZXKLOSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H](CC[C@@H](C)O)[NH2+]CCCN 238380479 572650189 /nfs/dbraw/zinc/65/01/89/572650189.db2.gz QZZGWYMHVVYSLH-DTWKUNHWSA-N 1 3 174.288 0.474 10 0 ACAEHO CC[C@H](C)[N@@H+]1CCN(C)[C@@H](CNC)C1 251844475 572650583 /nfs/dbraw/zinc/65/05/83/572650583.db2.gz LYPCOSAGKLTSDR-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](C)[N@H+]1CCN(C)[C@@H](CNC)C1 251844475 572650587 /nfs/dbraw/zinc/65/05/87/572650587.db2.gz LYPCOSAGKLTSDR-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN[C@H](C)[C@@](C)(O)C[NH2+]C(C)C 85077442 572650722 /nfs/dbraw/zinc/65/07/22/572650722.db2.gz GDOPNKYNTZWPRL-ZJUUUORDSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@H](C)[C@@](C)(O)CNC(C)C 85077442 572650728 /nfs/dbraw/zinc/65/07/28/572650728.db2.gz GDOPNKYNTZWPRL-ZJUUUORDSA-N 1 3 188.315 0.733 10 0 ACAEHO C[C@](O)(C[NH2+]C1CC1)[C@H]1CCCCN1 85078332 572650874 /nfs/dbraw/zinc/65/08/74/572650874.db2.gz BTCFBDZZDZUMAA-MNOVXSKESA-N 1 3 198.310 0.632 10 0 ACAEHO CCN[C@@H](C)[C@@](C)(O)C[NH2+]C(C)C 85077441 572650969 /nfs/dbraw/zinc/65/09/69/572650969.db2.gz GDOPNKYNTZWPRL-UWVGGRQHSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@@H](C)[C@@](C)(O)CNC(C)C 85077441 572650973 /nfs/dbraw/zinc/65/09/73/572650973.db2.gz GDOPNKYNTZWPRL-UWVGGRQHSA-N 1 3 188.315 0.733 10 0 ACAEHO CCN[C@@H](C)[C@@](C)(O)C[NH2+]C1CC1 85078094 572651021 /nfs/dbraw/zinc/65/10/21/572651021.db2.gz GRWKOZUKSFXLEO-WPRPVWTQSA-N 1 3 186.299 0.487 10 0 ACAEHO CC[C@@H](C)[N@@H+]1CCN(C)[C@@H](CNC)C1 251844473 572651762 /nfs/dbraw/zinc/65/17/62/572651762.db2.gz LYPCOSAGKLTSDR-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@](O)(C[NH2+]C1CC1)[C@@H]1CCCCN1 85078326 572651360 /nfs/dbraw/zinc/65/13/60/572651360.db2.gz BTCFBDZZDZUMAA-QWRGUYRKSA-N 1 3 198.310 0.632 10 0 ACAEHO CC[C@@H](C)[N@H+]1CCN(C)[C@@H](CNC)C1 251844473 572651765 /nfs/dbraw/zinc/65/17/65/572651765.db2.gz LYPCOSAGKLTSDR-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCN[C@H](C)[C@](C)(O)C[NH2+]C(C)C 85077438 572651690 /nfs/dbraw/zinc/65/16/90/572651690.db2.gz GDOPNKYNTZWPRL-NXEZZACHSA-N 1 3 188.315 0.733 10 0 ACAEHO CC[NH2+][C@H](C)[C@](C)(O)CNC(C)C 85077438 572651695 /nfs/dbraw/zinc/65/16/95/572651695.db2.gz GDOPNKYNTZWPRL-NXEZZACHSA-N 1 3 188.315 0.733 10 0 ACAEHO C[C@@](O)(C[NH2+]C1CC1)[C@@H]1CCCCN1 85078321 572652420 /nfs/dbraw/zinc/65/24/20/572652420.db2.gz BTCFBDZZDZUMAA-WDEREUQCSA-N 1 3 198.310 0.632 10 0 ACAEHO CC[C@@H](C)N1CCCN(C)C[C@H]1C[NH3+] 252026628 572652494 /nfs/dbraw/zinc/65/24/94/572652494.db2.gz YKJWCWHJVIZYOB-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@](O)(C[NH2+]C1CC1)[C@H]1CCCCN1 85078328 572653027 /nfs/dbraw/zinc/65/30/27/572653027.db2.gz BTCFBDZZDZUMAA-GHMZBOCLSA-N 1 3 198.310 0.632 10 0 ACAEHO CC[C@H](C)N1CCCN(C)C[C@H]1C[NH3+] 252026629 572653468 /nfs/dbraw/zinc/65/34/68/572653468.db2.gz YKJWCWHJVIZYOB-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCNC[C@](C)(O)[C@H]1CCC[NH2+]1 85075802 572653690 /nfs/dbraw/zinc/65/36/90/572653690.db2.gz LRHYGPTZJOZKAC-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CCCC[NH2+]C[C@@H]1C[C@@H](O)CN1 85081245 572653761 /nfs/dbraw/zinc/65/37/61/572653761.db2.gz FWHSBELKTXFXDJ-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CCNC[C@](C)(O)[C@H](C)[NH2+]CC 85075948 572653846 /nfs/dbraw/zinc/65/38/46/572653846.db2.gz XZTXCQHLFRXRNW-IUCAKERBSA-N 1 3 174.288 0.345 10 0 ACAEHO CCN[C@@H](C)[C@@](C)(O)C[NH2+]CC 85075948 572653849 /nfs/dbraw/zinc/65/38/49/572653849.db2.gz XZTXCQHLFRXRNW-IUCAKERBSA-N 1 3 174.288 0.345 10 0 ACAEHO CCNC[C@](C)(O)[C@@H]1CCC[NH2+]1 85075795 572653883 /nfs/dbraw/zinc/65/38/83/572653883.db2.gz LRHYGPTZJOZKAC-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO CCCC[NH2+]C[C@H]1C[C@@H](O)CN1 85081248 572653904 /nfs/dbraw/zinc/65/39/04/572653904.db2.gz FWHSBELKTXFXDJ-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@H](C)[NH2+]C[C@@H]1C[C@H](O)CN1 85081154 572654103 /nfs/dbraw/zinc/65/41/03/572654103.db2.gz KMWVWFKAYQSWST-CIUDSAMLSA-N 1 3 172.272 0.097 10 0 ACAEHO C[C@@H]1CN(C)CCN1[C@@H]1CC[C@@H]1C[NH3+] 235284686 572654476 /nfs/dbraw/zinc/65/44/76/572654476.db2.gz XOMCFTZZMVKPND-GMTAPVOTSA-N 1 3 197.326 0.360 10 0 ACAEHO CCNC[C@@](C)(O)[C@@H]1CCC[NH2+]1 85075799 572654508 /nfs/dbraw/zinc/65/45/08/572654508.db2.gz LRHYGPTZJOZKAC-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CC(C)(C)C[NH2+]C[C@H]1C[C@@H](O)CN1 85081286 572654567 /nfs/dbraw/zinc/65/45/67/572654567.db2.gz YRVAHBDVLJMWHJ-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO O[C@H]1CN[C@@H](C[NH2+]CCC2CC2)C1 85082506 572654878 /nfs/dbraw/zinc/65/48/78/572654878.db2.gz CDLURJPJDQXVBP-NXEZZACHSA-N 1 3 184.283 0.099 10 0 ACAEHO CC[C@H](C)[NH2+]C[C@H]1C[C@H](O)CN1 85081160 572654926 /nfs/dbraw/zinc/65/49/26/572654926.db2.gz KMWVWFKAYQSWST-YIZRAAEISA-N 1 3 172.272 0.097 10 0 ACAEHO O[C@@H]1CN[C@@H](C[NH2+]CCC2CC2)C1 85082498 572655100 /nfs/dbraw/zinc/65/51/00/572655100.db2.gz CDLURJPJDQXVBP-ZJUUUORDSA-N 1 3 184.283 0.099 10 0 ACAEHO CC(C)(C)C[NH2+]C[C@@H]1C[C@@H](O)CN1 85081284 572655127 /nfs/dbraw/zinc/65/51/27/572655127.db2.gz YRVAHBDVLJMWHJ-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)(C)C[NH2+]C[C@@H]1C[C@H](O)CN1 85081278 572655312 /nfs/dbraw/zinc/65/53/12/572655312.db2.gz YRVAHBDVLJMWHJ-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO CCCC[NH2+]C[C@@H]1C[C@H](O)CN1 85081240 572655821 /nfs/dbraw/zinc/65/58/21/572655821.db2.gz FWHSBELKTXFXDJ-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO [NH3+]C/C=C\CN1CC2(CC2)C1 307861314 572655937 /nfs/dbraw/zinc/65/59/37/572655937.db2.gz BMHWGGDKFKQWPE-UPHRSURJSA-N 1 3 152.241 0.597 10 0 ACAEHO O[C@@H]1CN[C@H](C[NH2+]CCC2CC2)C1 85082497 572656026 /nfs/dbraw/zinc/65/60/26/572656026.db2.gz CDLURJPJDQXVBP-UWVGGRQHSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@H]1CN[C@H](C[NH2+]CCC2CC2)C1 85082501 572656111 /nfs/dbraw/zinc/65/61/11/572656111.db2.gz CDLURJPJDQXVBP-VHSXEESVSA-N 1 3 184.283 0.099 10 0 ACAEHO CCCC[NH2+]C[C@H]1C[C@H](O)CN1 85081243 572656208 /nfs/dbraw/zinc/65/62/08/572656208.db2.gz FWHSBELKTXFXDJ-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CCNC[C@@](C)(O)[C@H]1CCC[NH2+]1 85075803 572656908 /nfs/dbraw/zinc/65/69/08/572656908.db2.gz LRHYGPTZJOZKAC-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CCNC[C@](C)(O)[C@@H](C)[NH2+]CC 85075942 572656991 /nfs/dbraw/zinc/65/69/91/572656991.db2.gz XZTXCQHLFRXRNW-BDAKNGLRSA-N 1 3 174.288 0.345 10 0 ACAEHO CCN[C@H](C)[C@@](C)(O)C[NH2+]CC 85075942 572656995 /nfs/dbraw/zinc/65/69/95/572656995.db2.gz XZTXCQHLFRXRNW-BDAKNGLRSA-N 1 3 174.288 0.345 10 0 ACAEHO CCNC[C@@](C)(O)[C@@H](C)[NH2+]CC 85075945 572657094 /nfs/dbraw/zinc/65/70/94/572657094.db2.gz XZTXCQHLFRXRNW-RKDXNWHRSA-N 1 3 174.288 0.345 10 0 ACAEHO CCN[C@H](C)[C@](C)(O)C[NH2+]CC 85075945 572657098 /nfs/dbraw/zinc/65/70/98/572657098.db2.gz XZTXCQHLFRXRNW-RKDXNWHRSA-N 1 3 174.288 0.345 10 0 ACAEHO CCNC[C@@](C)(O)[C@H](C)[NH2+]CC 85075950 572657128 /nfs/dbraw/zinc/65/71/28/572657128.db2.gz XZTXCQHLFRXRNW-DTWKUNHWSA-N 1 3 174.288 0.345 10 0 ACAEHO CCN[C@@H](C)[C@](C)(O)C[NH2+]CC 85075950 572657132 /nfs/dbraw/zinc/65/71/32/572657132.db2.gz XZTXCQHLFRXRNW-DTWKUNHWSA-N 1 3 174.288 0.345 10 0 ACAEHO CC(C)(C)C[NH2+]C[C@H]1C[C@H](O)CN1 85081281 572657148 /nfs/dbraw/zinc/65/71/48/572657148.db2.gz YRVAHBDVLJMWHJ-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H]1CCN(C)C[C@H]1C[NH3+] 251860833 572657241 /nfs/dbraw/zinc/65/72/41/572657241.db2.gz SUJIFTWCCHTQEP-RKDXNWHRSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@@H]1COCCN1[C@H]1CC[C@@H](C[NH3+])C1 251889732 572657448 /nfs/dbraw/zinc/65/74/48/572657448.db2.gz VLOQARNZIYTTGM-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1COCCN1[C@H]1CC[C@H](C[NH3+])C1 251889734 572657548 /nfs/dbraw/zinc/65/75/48/572657548.db2.gz VLOQARNZIYTTGM-VWYCJHECSA-N 1 3 198.310 0.835 10 0 ACAEHO COC(=O)C1C(=O)C[C@H]2CC[N@H+](C)[C@H]12 250550315 572657785 /nfs/dbraw/zinc/65/77/85/572657785.db2.gz ABHKURFOKWRVSI-VDAHYXPESA-N 1 3 197.234 0.069 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@H]1C1CC1 250248318 572658113 /nfs/dbraw/zinc/65/81/13/572658113.db2.gz IGGZYVURWXKXLF-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@@H](CO)N[C@@H](C)[C@H](C)[NH3+] 307859395 572658204 /nfs/dbraw/zinc/65/82/04/572658204.db2.gz GBOFQVWVDHHBEO-FXQIFTODSA-N 1 3 160.261 0.083 10 0 ACAEHO CC[C@H](CO)N[C@H](C)[C@H](C)[NH3+] 307859401 572658304 /nfs/dbraw/zinc/65/83/04/572658304.db2.gz GBOFQVWVDHHBEO-XLPZGREQSA-N 1 3 160.261 0.083 10 0 ACAEHO C[C@@H]1CN(C)CCN1[C@@H]1CC[C@@H]([NH3+])C1 235284548 572658307 /nfs/dbraw/zinc/65/83/07/572658307.db2.gz RKGDYVZEDWIHIU-GMTAPVOTSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@@H]1COCCN1[C@@H]1CC[C@@H](C[NH3+])C1 251889730 572658382 /nfs/dbraw/zinc/65/83/82/572658382.db2.gz VLOQARNZIYTTGM-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@H](CO)N[C@@H](C)[C@H](C)[NH3+] 307859390 572659549 /nfs/dbraw/zinc/65/95/49/572659549.db2.gz GBOFQVWVDHHBEO-BIIVOSGPSA-N 1 3 160.261 0.083 10 0 ACAEHO CC[C@H](CO)N[C@H](C)[C@@H](C)[NH3+] 307859391 572658831 /nfs/dbraw/zinc/65/88/31/572658831.db2.gz GBOFQVWVDHHBEO-BWZBUEFSSA-N 1 3 160.261 0.083 10 0 ACAEHO CC[C@@H](CO)N[C@H](C)[C@@H](C)[NH3+] 307859398 572659023 /nfs/dbraw/zinc/65/90/23/572659023.db2.gz GBOFQVWVDHHBEO-PRJMDXOYSA-N 1 3 160.261 0.083 10 0 ACAEHO CC[C@H](CO)N[C@@H](C)[C@@H](C)[NH3+] 307859396 572659121 /nfs/dbraw/zinc/65/91/21/572659121.db2.gz GBOFQVWVDHHBEO-GJMOJQLCSA-N 1 3 160.261 0.083 10 0 ACAEHO CC[C@@H](CO)N[C@H](C)[C@H](C)[NH3+] 307859399 572660135 /nfs/dbraw/zinc/66/01/35/572660135.db2.gz GBOFQVWVDHHBEO-RNJXMRFFSA-N 1 3 160.261 0.083 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CCN(C)C[C@H]1C 251925232 572660172 /nfs/dbraw/zinc/66/01/72/572660172.db2.gz YGWWPCCXTARLBO-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO CCC1CN(C/C=C\C[NH3+])C1 307862307 572661344 /nfs/dbraw/zinc/66/13/44/572661344.db2.gz CGHMEDQIVQOUAZ-ARJAWSKDSA-N 1 3 154.257 0.843 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CCN(C)C[C@@H]1C 251925233 572661870 /nfs/dbraw/zinc/66/18/70/572661870.db2.gz YGWWPCCXTARLBO-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO CC1(C)CN(C/C=C\C[NH3+])C1 307863671 572663277 /nfs/dbraw/zinc/66/32/77/572663277.db2.gz CYBUTXOAMPIOAZ-ARJAWSKDSA-N 1 3 154.257 0.843 10 0 ACAEHO C[C@@H](CCO)C[NH2+]C1CCNCC1 85127921 572665985 /nfs/dbraw/zinc/66/59/85/572665985.db2.gz XDPCCDRZVFVQKF-VIFPVBQESA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H]1C[C@H]([C@@H](O)C[NH3+])CCN1C 252191336 572666713 /nfs/dbraw/zinc/66/67/13/572666713.db2.gz UYXJNDWHMXWXLT-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]1CCC[N@H+](C)C[C@H]1N 252152867 572667082 /nfs/dbraw/zinc/66/70/82/572667082.db2.gz MTPLKKVTKLTENA-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CCC[N@@H+](C)C[C@H]1N 252152867 572667086 /nfs/dbraw/zinc/66/70/86/572667086.db2.gz MTPLKKVTKLTENA-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](CCO)C[NH2+]C1CCNCC1 85127924 572667245 /nfs/dbraw/zinc/66/72/45/572667245.db2.gz XDPCCDRZVFVQKF-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H]1C[C@@]2(CC[N@@H+]1C)C[C@@H](O)CCN2 252173945 572667679 /nfs/dbraw/zinc/66/76/79/572667679.db2.gz RQTIYADDCVAVIJ-VWYCJHECSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@@]2(CC[N@H+]1C)C[C@@H](O)CCN2 252173945 572667685 /nfs/dbraw/zinc/66/76/85/572667685.db2.gz RQTIYADDCVAVIJ-VWYCJHECSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])[C@H]2CN(C)CC[C@@H]2O1 252193810 572667873 /nfs/dbraw/zinc/66/78/73/572667873.db2.gz VGPOARYDTKSVHL-IMSYWVGJSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1C[C@@H]([C@@H](O)C[NH3+])CCN1C 252191338 572668491 /nfs/dbraw/zinc/66/84/91/572668491.db2.gz UYXJNDWHMXWXLT-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])[C@@H]2CN(C)CC[C@H]2O1 252193812 572668893 /nfs/dbraw/zinc/66/88/93/572668893.db2.gz VGPOARYDTKSVHL-XFWSIPNHSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1C[C@]2(CC[N@@H+]1C)C[C@@H](O)CCN2 252173944 572669033 /nfs/dbraw/zinc/66/90/33/572669033.db2.gz RQTIYADDCVAVIJ-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@@H]1C[C@]2(CC[N@H+]1C)C[C@@H](O)CCN2 252173944 572669036 /nfs/dbraw/zinc/66/90/36/572669036.db2.gz RQTIYADDCVAVIJ-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]1C[C@](N)(CC(N)=O)C[C@@H](C)[N@@H+]1C 252207293 572669335 /nfs/dbraw/zinc/66/93/35/572669335.db2.gz XJJBOPVJFBFOAG-MBTKJCJQSA-N 1 3 199.298 0.062 10 0 ACAEHO C[C@H]1C[C@](N)(CC(N)=O)C[C@@H](C)[N@H+]1C 252207293 572669338 /nfs/dbraw/zinc/66/93/38/572669338.db2.gz XJJBOPVJFBFOAG-MBTKJCJQSA-N 1 3 199.298 0.062 10 0 ACAEHO CO[C@H](C)CNC[C@@H]1CCC[C@H]1[NH3+] 299893028 572669477 /nfs/dbraw/zinc/66/94/77/572669477.db2.gz GVONOKWKSAEQBM-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])[C@H]2CN(C)CC[C@H]2O1 252193808 572669542 /nfs/dbraw/zinc/66/95/42/572669542.db2.gz VGPOARYDTKSVHL-DOLQZWNJSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1C[C@@H]2[NH2+]CC[C@@H]2CN1C 252215551 572669638 /nfs/dbraw/zinc/66/96/38/572669638.db2.gz ZCUKEDXOPBANDU-HLTSFMKQSA-N 1 3 154.257 0.689 10 0 ACAEHO C[C@@H]1C[C@H]2[NH2+]CC[C@@H]2CN1C 252215552 572669673 /nfs/dbraw/zinc/66/96/73/572669673.db2.gz ZCUKEDXOPBANDU-IWSPIJDZSA-N 1 3 154.257 0.689 10 0 ACAEHO CC[C@@H](N)C(=O)CC[NH+](C)C 74342128 572670899 /nfs/dbraw/zinc/67/08/99/572670899.db2.gz RQYKJMLGNMANMN-SSDOTTSWSA-N 1 3 158.245 0.245 10 0 ACAEHO C[C@H](CO)N(C)C[C@@H]1CC[N@H+](C)C1 308089237 572670964 /nfs/dbraw/zinc/67/09/64/572670964.db2.gz DXDXTGDIKLYAEX-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO C[C@H](CO)N(C)C[C@@H]1CC[N@@H+](C)C1 308089237 572670969 /nfs/dbraw/zinc/67/09/69/572670969.db2.gz DXDXTGDIKLYAEX-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO CO[C@H](C)CNC[C@H]1CCC[C@H]1[NH3+] 299893029 572670989 /nfs/dbraw/zinc/67/09/89/572670989.db2.gz GVONOKWKSAEQBM-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@H](CO)N(C)C[C@H]1CC[N@H+](C)C1 308089256 572671145 /nfs/dbraw/zinc/67/11/45/572671145.db2.gz DXDXTGDIKLYAEX-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO C[C@H](CO)N(C)C[C@H]1CC[N@@H+](C)C1 308089256 572671149 /nfs/dbraw/zinc/67/11/49/572671149.db2.gz DXDXTGDIKLYAEX-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO C[C@@H](CO)N(C)C[C@@H]1CC[N@H+](C)C1 308089249 572671279 /nfs/dbraw/zinc/67/12/79/572671279.db2.gz DXDXTGDIKLYAEX-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO C[C@@H](CO)N(C)C[C@@H]1CC[N@@H+](C)C1 308089249 572671281 /nfs/dbraw/zinc/67/12/81/572671281.db2.gz DXDXTGDIKLYAEX-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@@H+]1[C@@H](C)CCN(C)C[C@H]1CN 250250964 572671327 /nfs/dbraw/zinc/67/13/27/572671327.db2.gz INUWNXCNCYQOMT-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[N@H+]1[C@@H](C)CCN(C)C[C@H]1CN 250250964 572671331 /nfs/dbraw/zinc/67/13/31/572671331.db2.gz INUWNXCNCYQOMT-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1[C@@H](C)CC[N@H+](C)C[C@H]1CN 250250964 572671333 /nfs/dbraw/zinc/67/13/33/572671333.db2.gz INUWNXCNCYQOMT-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1[C@@H](C)CC[N@@H+](C)C[C@H]1CN 250250964 572671336 /nfs/dbraw/zinc/67/13/36/572671336.db2.gz INUWNXCNCYQOMT-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[N@@H+]1[C@H](C)CCN(C)C[C@H]1CN 250250961 572671442 /nfs/dbraw/zinc/67/14/42/572671442.db2.gz INUWNXCNCYQOMT-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[N@H+]1[C@H](C)CCN(C)C[C@H]1CN 250250961 572671443 /nfs/dbraw/zinc/67/14/43/572671443.db2.gz INUWNXCNCYQOMT-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1[C@H](C)CC[N@H+](C)C[C@H]1CN 250250961 572671445 /nfs/dbraw/zinc/67/14/45/572671445.db2.gz INUWNXCNCYQOMT-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1[C@H](C)CC[N@@H+](C)C[C@H]1CN 250250961 572671446 /nfs/dbraw/zinc/67/14/46/572671446.db2.gz INUWNXCNCYQOMT-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)[C@H]1C[C@@H](N)C[N@H+](C)C1 74342410 572672068 /nfs/dbraw/zinc/67/20/68/572672068.db2.gz UZZLBWDEIZKBMF-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@H]1C[C@@H](N)C[N@@H+](C)C1 74342410 572672073 /nfs/dbraw/zinc/67/20/73/572672073.db2.gz UZZLBWDEIZKBMF-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@@H]1C[C@H](N)C[N@H+](C)C1 74342407 572673450 /nfs/dbraw/zinc/67/34/50/572673450.db2.gz UZZLBWDEIZKBMF-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@@H]1C[C@H](N)C[N@@H+](C)C1 74342407 572673454 /nfs/dbraw/zinc/67/34/54/572673454.db2.gz UZZLBWDEIZKBMF-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CO[C@H](C)CNC[C@H]1C[NH2+]C[C@H]1C 299893688 572674066 /nfs/dbraw/zinc/67/40/66/572674066.db2.gz NVUGSSGPGQRDPE-OPRDCNLKSA-N 1 3 186.299 0.466 10 0 ACAEHO CC(C)[C@@H]1C[C@@H](N)C[N@H+](C)C1 74342409 572675265 /nfs/dbraw/zinc/67/52/65/572675265.db2.gz UZZLBWDEIZKBMF-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@@H]1C[C@@H](N)C[N@@H+](C)C1 74342409 572675271 /nfs/dbraw/zinc/67/52/71/572675271.db2.gz UZZLBWDEIZKBMF-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H]1CC1(C)C 54346030 572681422 /nfs/dbraw/zinc/68/14/22/572681422.db2.gz LPPLYCFLRXBAGH-SFYZADRCSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H](CC[NH3+])CNc1nccn1C 85131004 572675770 /nfs/dbraw/zinc/67/57/70/572675770.db2.gz TVDKWHFZAXWFJA-MRVPVSSYSA-N 1 3 182.271 0.817 10 0 ACAEHO CCN1[C@@H](C)CC[N@H+](C)C[C@H]1CNC 250368359 572675960 /nfs/dbraw/zinc/67/59/60/572675960.db2.gz VFCIFSRUBNAMLT-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1[C@@H](C)CC[N@@H+](C)C[C@H]1CNC 250368359 572675966 /nfs/dbraw/zinc/67/59/66/572675966.db2.gz VFCIFSRUBNAMLT-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CO[C@H](C)CNC[C@@H]1CC[NH2+][C@H]1C 299893813 572677139 /nfs/dbraw/zinc/67/71/39/572677139.db2.gz PCILWFPXOTYIHQ-UTLUCORTSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@H](C)[C@H](C[NH3+])NC[C@H](C)OC 299893856 572677255 /nfs/dbraw/zinc/67/72/55/572677255.db2.gz PRDVKNUKHNWBPW-GUBZILKMSA-N 1 3 188.315 0.984 10 0 ACAEHO CC[N@@H+]1CC[C@@H](NCCO)C[C@H]1C 252716596 572678502 /nfs/dbraw/zinc/67/85/02/572678502.db2.gz YVNMJCFLEAMQAD-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@H+]1CC[C@@H](NCCO)C[C@H]1C 252716596 572678509 /nfs/dbraw/zinc/67/85/09/572678509.db2.gz YVNMJCFLEAMQAD-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@H+]1CC[C@H](NCCO)C[C@H]1C 252716597 572679942 /nfs/dbraw/zinc/67/99/42/572679942.db2.gz YVNMJCFLEAMQAD-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+]1CC[C@H](NCCO)C[C@H]1C 252716597 572679939 /nfs/dbraw/zinc/67/99/39/572679939.db2.gz YVNMJCFLEAMQAD-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CC1(C)C 54346024 572680295 /nfs/dbraw/zinc/68/02/95/572680295.db2.gz LPPLYCFLRXBAGH-HTQZYQBOSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@H]1CC1(C)C 54346024 572680302 /nfs/dbraw/zinc/68/03/02/572680302.db2.gz LPPLYCFLRXBAGH-HTQZYQBOSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1[C@@H](CN)[C@@H](O)C(C)(C)[N@@H+]1C1CC1 253483907 572683808 /nfs/dbraw/zinc/68/38/08/572683808.db2.gz CCTXSVZQBFDATH-SZEHBUNVSA-N 1 3 198.310 0.567 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CC1(C)C 54346030 572681419 /nfs/dbraw/zinc/68/14/19/572681419.db2.gz LPPLYCFLRXBAGH-SFYZADRCSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@@H]1CCCO1 54345831 572681563 /nfs/dbraw/zinc/68/15/63/572681563.db2.gz COYAZPCFHOODOM-IUCAKERBSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@@H](C[NH3+])CNC[C@@H]1CCCO1 54345831 572681565 /nfs/dbraw/zinc/68/15/65/572681565.db2.gz COYAZPCFHOODOM-IUCAKERBSA-N 1 3 172.272 0.350 10 0 ACAEHO CO[C@H](C)CNC[C@H](C)[C@H](C)[NH3+] 299894632 572682045 /nfs/dbraw/zinc/68/20/45/572682045.db2.gz YOVADVFJUDBMPR-YIZRAAEISA-N 1 3 174.288 0.594 10 0 ACAEHO CCC[NH2+]C[C@H](C)CN 54345778 572682069 /nfs/dbraw/zinc/68/20/69/572682069.db2.gz VRISNSLFRIQWCS-SSDOTTSWSA-N 1 3 130.235 0.581 10 0 ACAEHO CCCC[NH2+]C[C@@H](C)CN 54345825 572682092 /nfs/dbraw/zinc/68/20/92/572682092.db2.gz WQTFCZBDECKDEZ-QMMMGPOBSA-N 1 3 144.262 0.971 10 0 ACAEHO CCCC[NH2+]C[C@H](C)CN 54345827 572682147 /nfs/dbraw/zinc/68/21/47/572682147.db2.gz WQTFCZBDECKDEZ-MRVPVSSYSA-N 1 3 144.262 0.971 10 0 ACAEHO C1CN[C@@H]2C[N@H+]([C@H]3CCOC3)C[C@H]2C1 299894558 572682270 /nfs/dbraw/zinc/68/22/70/572682270.db2.gz XUXYQRQRHDDQDT-OUAUKWLOSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CN[C@@H]2C[N@@H+]([C@H]3CCOC3)C[C@H]2C1 299894558 572682274 /nfs/dbraw/zinc/68/22/74/572682274.db2.gz XUXYQRQRHDDQDT-OUAUKWLOSA-N 1 3 196.294 0.459 10 0 ACAEHO C[C@H](CN)C[NH2+]CC1CC1 54345821 572682437 /nfs/dbraw/zinc/68/24/37/572682437.db2.gz MNYBXVOIFPFSMB-SSDOTTSWSA-N 1 3 142.246 0.581 10 0 ACAEHO CCC[NH2+]C[C@@H](C)CN 54345775 572682906 /nfs/dbraw/zinc/68/29/06/572682906.db2.gz VRISNSLFRIQWCS-ZETCQYMHSA-N 1 3 130.235 0.581 10 0 ACAEHO CCC[C@](C)(O)CNCC[NH3+] 307867856 572683060 /nfs/dbraw/zinc/68/30/60/572683060.db2.gz KCXWVHLAEHWOJA-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO CO[C@H](C)CN[C@H]1CC[C@H]([NH3+])C1 299894540 572683135 /nfs/dbraw/zinc/68/31/35/572683135.db2.gz XQDNRCWKMCMEJX-VGMNWLOBSA-N 1 3 172.272 0.491 10 0 ACAEHO CCC[C@@](C)(O)CNCC[NH3+] 307867850 572683158 /nfs/dbraw/zinc/68/31/58/572683158.db2.gz KCXWVHLAEHWOJA-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO C1CN[C@@H]2C[N@H+]([C@@H]3CCOC3)C[C@H]2C1 299894557 572683342 /nfs/dbraw/zinc/68/33/42/572683342.db2.gz XUXYQRQRHDDQDT-GMTAPVOTSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CN[C@@H]2C[N@@H+]([C@@H]3CCOC3)C[C@H]2C1 299894557 572683346 /nfs/dbraw/zinc/68/33/46/572683346.db2.gz XUXYQRQRHDDQDT-GMTAPVOTSA-N 1 3 196.294 0.459 10 0 ACAEHO C[C@@H]1[C@@H](CN)[C@@H](O)C(C)(C)[N@H+]1C1CC1 253483907 572683811 /nfs/dbraw/zinc/68/38/11/572683811.db2.gz CCTXSVZQBFDATH-SZEHBUNVSA-N 1 3 198.310 0.567 10 0 ACAEHO CO[C@H](C)CN[C@@H]1CC[C@H]([NH3+])C1 299894539 572684165 /nfs/dbraw/zinc/68/41/65/572684165.db2.gz XQDNRCWKMCMEJX-HRDYMLBCSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1[C@H](CN)[C@@H](O)C(C)(C)[N@@H+]1C1CC1 253483906 572684401 /nfs/dbraw/zinc/68/44/01/572684401.db2.gz CCTXSVZQBFDATH-FKTZTGRPSA-N 1 3 198.310 0.567 10 0 ACAEHO C[C@@H]1[C@H](CN)[C@@H](O)C(C)(C)[N@H+]1C1CC1 253483906 572684405 /nfs/dbraw/zinc/68/44/05/572684405.db2.gz CCTXSVZQBFDATH-FKTZTGRPSA-N 1 3 198.310 0.567 10 0 ACAEHO CO[C@H](C)CNC[C@@H](C)[C@H](C)[NH3+] 299894631 572684595 /nfs/dbraw/zinc/68/45/95/572684595.db2.gz YOVADVFJUDBMPR-HLTSFMKQSA-N 1 3 174.288 0.594 10 0 ACAEHO CCN1CCN(CC[NH3+])[C@@H](C(C)C)C1 250371662 572685038 /nfs/dbraw/zinc/68/50/38/572685038.db2.gz VTGOCTKDYYRJFY-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]1C[C@@H]1CN[C@@H](C[NH3+])[C@H]1CCCO1 252972346 572686809 /nfs/dbraw/zinc/68/68/09/572686809.db2.gz ZGLKJQWTOHWQGT-CHWFTXMASA-N 1 3 198.310 0.738 10 0 ACAEHO CCN1[C@H](C)CN(C)C[C@H]1CC[NH3+] 250253785 572688594 /nfs/dbraw/zinc/68/85/94/572688594.db2.gz IUOCGQFSKRRHHP-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN(C)[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC2)C1 252788095 572687177 /nfs/dbraw/zinc/68/71/77/572687177.db2.gz JIAUZFMHKVTFKQ-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@@H](C)CCN 66147928 572687219 /nfs/dbraw/zinc/68/72/19/572687219.db2.gz RLBDCUSXNUKXFL-YUMQZZPRSA-N 1 3 160.261 0.084 10 0 ACAEHO CC[C@@H](CO)N[C@@H](C)CC[NH3+] 66147928 572687227 /nfs/dbraw/zinc/68/72/27/572687227.db2.gz RLBDCUSXNUKXFL-YUMQZZPRSA-N 1 3 160.261 0.084 10 0 ACAEHO CCCN(C)CCNC[C@@H](C)C[NH3+] 688687897 572687387 /nfs/dbraw/zinc/68/73/87/572687387.db2.gz ZAZAYWLAZDVZKA-JTQLQIEISA-N 1 3 187.331 0.513 10 0 ACAEHO CCCN(C)CCNC[C@H](C)C[NH3+] 688687899 572687488 /nfs/dbraw/zinc/68/74/88/572687488.db2.gz ZAZAYWLAZDVZKA-SNVBAGLBSA-N 1 3 187.331 0.513 10 0 ACAEHO CC[C@H](CO)[NH2+][C@@H](C)CCN 66147931 572687581 /nfs/dbraw/zinc/68/75/81/572687581.db2.gz RLBDCUSXNUKXFL-JGVFFNPUSA-N 1 3 160.261 0.084 10 0 ACAEHO CC[C@H](CO)N[C@@H](C)CC[NH3+] 66147931 572687583 /nfs/dbraw/zinc/68/75/83/572687583.db2.gz RLBDCUSXNUKXFL-JGVFFNPUSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@@H](CC[NH3+])NC[C@H]1CCCO1 66147852 572687625 /nfs/dbraw/zinc/68/76/25/572687625.db2.gz VDHLHWSSRHAMOQ-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@H]1CCCO1 66147852 572687627 /nfs/dbraw/zinc/68/76/27/572687627.db2.gz VDHLHWSSRHAMOQ-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO CC[C@H](CO)[NH2+][C@H](C)CCN 66147937 572688076 /nfs/dbraw/zinc/68/80/76/572688076.db2.gz RLBDCUSXNUKXFL-HTQZYQBOSA-N 1 3 160.261 0.084 10 0 ACAEHO CC[C@H](CO)N[C@H](C)CC[NH3+] 66147937 572688081 /nfs/dbraw/zinc/68/80/81/572688081.db2.gz RLBDCUSXNUKXFL-HTQZYQBOSA-N 1 3 160.261 0.084 10 0 ACAEHO CC(C)[NH2+][C@@H](C)CCN 66147860 572688464 /nfs/dbraw/zinc/68/84/64/572688464.db2.gz NSRWYBUCMRWPKC-ZETCQYMHSA-N 1 3 130.235 0.722 10 0 ACAEHO C[C@H]1CCC[C@@H](C[NH2+]CCO)N1 66147472 572688638 /nfs/dbraw/zinc/68/86/38/572688638.db2.gz CMUWNBDEWLIJOT-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H](CC[NH3+])NC[C@@H]1CCCO1 66147849 572688673 /nfs/dbraw/zinc/68/86/73/572688673.db2.gz VDHLHWSSRHAMOQ-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]CCCCO 236162405 572688674 /nfs/dbraw/zinc/68/86/74/572688674.db2.gz JPPACGBRTGCVHE-NXEZZACHSA-N 1 3 186.299 0.476 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@@H]1CCCO1 66147849 572688675 /nfs/dbraw/zinc/68/86/75/572688675.db2.gz VDHLHWSSRHAMOQ-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO [NH3+]CCCN[C@H]1CCCOC1 70464707 572691235 /nfs/dbraw/zinc/69/12/35/572691235.db2.gz CXTWGPBYIGNJJT-QMMMGPOBSA-N 1 3 158.245 0.104 10 0 ACAEHO CCN(CC)CCN[C@@H](C)CC[NH3+] 66147945 572688749 /nfs/dbraw/zinc/68/87/49/572688749.db2.gz DTXQNFYHZXDJGR-JTQLQIEISA-N 1 3 187.331 0.655 10 0 ACAEHO NCCC[NH2+][C@H]1CCCOC1 70464707 572691238 /nfs/dbraw/zinc/69/12/38/572691238.db2.gz CXTWGPBYIGNJJT-QMMMGPOBSA-N 1 3 158.245 0.104 10 0 ACAEHO CCN(CC)CCN[C@H](C)CC[NH3+] 66147949 572688839 /nfs/dbraw/zinc/68/88/39/572688839.db2.gz DTXQNFYHZXDJGR-SNVBAGLBSA-N 1 3 187.331 0.655 10 0 ACAEHO COCCC[NH2+][C@@H](C)CCN 66147907 572688903 /nfs/dbraw/zinc/68/89/03/572688903.db2.gz UXZSVNBMFFPBAD-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO C[C@@H]1OCC[C@]1(C[NH3+])NC[C@H]1C[C@H]1C 252959385 572689117 /nfs/dbraw/zinc/68/91/17/572689117.db2.gz MDTYYISTJYPABO-LMLFDSFASA-N 1 3 198.310 0.738 10 0 ACAEHO CC[C@@H](CO)[NH2+][C@H](C)CCN 66147934 572689155 /nfs/dbraw/zinc/68/91/55/572689155.db2.gz RLBDCUSXNUKXFL-SFYZADRCSA-N 1 3 160.261 0.084 10 0 ACAEHO CC[C@@H](CO)N[C@H](C)CC[NH3+] 66147934 572689158 /nfs/dbraw/zinc/68/91/58/572689158.db2.gz RLBDCUSXNUKXFL-SFYZADRCSA-N 1 3 160.261 0.084 10 0 ACAEHO CCN1[C@@H](C)CN(C)C[C@H]1CC[NH3+] 250253789 572689311 /nfs/dbraw/zinc/68/93/11/572689311.db2.gz IUOCGQFSKRRHHP-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]1C[C@@H]1CN[C@H](C[NH3+])[C@H]1CCCO1 252972348 572689366 /nfs/dbraw/zinc/68/93/66/572689366.db2.gz ZGLKJQWTOHWQGT-GWOFURMSSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@@H]1CCC[C@H](C[NH2+]CCO)N1 66147467 572689776 /nfs/dbraw/zinc/68/97/76/572689776.db2.gz CMUWNBDEWLIJOT-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H](CC[NH3+])NC[C@@H]1CCCO1 66147846 572689829 /nfs/dbraw/zinc/68/98/29/572689829.db2.gz VDHLHWSSRHAMOQ-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H](CCN)[NH2+]C[C@@H]1CCCO1 66147846 572689833 /nfs/dbraw/zinc/68/98/33/572689833.db2.gz VDHLHWSSRHAMOQ-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO COCCC[NH2+][C@H](C)CCN 66147910 572689995 /nfs/dbraw/zinc/68/99/95/572689995.db2.gz UXZSVNBMFFPBAD-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO C[C@H]1CCC[C@H](C[NH2+]CCO)N1 66147469 572690087 /nfs/dbraw/zinc/69/00/87/572690087.db2.gz CMUWNBDEWLIJOT-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H]1C[C@@H]1CN[C@H](C[NH3+])[C@@H]1CCCO1 252972347 572690088 /nfs/dbraw/zinc/69/00/88/572690088.db2.gz ZGLKJQWTOHWQGT-DBIOUOCHSA-N 1 3 198.310 0.738 10 0 ACAEHO CCC[NH2+][C@H](C)CCN 66147872 572690120 /nfs/dbraw/zinc/69/01/20/572690120.db2.gz KYHDADGJKYQDNP-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CN(C)[C@@H]1CC[C@H]([NH2+][C@H]2CCOC2)C1 252788094 572690398 /nfs/dbraw/zinc/69/03/98/572690398.db2.gz JIAUZFMHKVTFKQ-GARJFASQSA-N 1 3 198.310 0.848 10 0 ACAEHO CC(C)[NH2+][C@H](C)CCN 66147862 572690412 /nfs/dbraw/zinc/69/04/12/572690412.db2.gz NSRWYBUCMRWPKC-SSDOTTSWSA-N 1 3 130.235 0.722 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C[NH3+])NC[C@H]1C[C@H]1C 252959386 572690524 /nfs/dbraw/zinc/69/05/24/572690524.db2.gz MDTYYISTJYPABO-YTWAJWBKSA-N 1 3 198.310 0.738 10 0 ACAEHO CCC[NH2+][C@@H](C)CCN 66147869 572690546 /nfs/dbraw/zinc/69/05/46/572690546.db2.gz KYHDADGJKYQDNP-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO C[C@@H]1CCC[C@@H](C[NH2+]CCO)N1 66147471 572690622 /nfs/dbraw/zinc/69/06/22/572690622.db2.gz CMUWNBDEWLIJOT-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H](CC[NH3+])NC[C@H]1CCCO1 66147853 572691052 /nfs/dbraw/zinc/69/10/52/572691052.db2.gz VDHLHWSSRHAMOQ-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H](CCN)[NH2+]C[C@H]1CCCO1 66147853 572691056 /nfs/dbraw/zinc/69/10/56/572691056.db2.gz VDHLHWSSRHAMOQ-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@@H]1C[C@@H](C2CC2)[C@@H](CN)C[NH2+]1 253485683 572691576 /nfs/dbraw/zinc/69/15/76/572691576.db2.gz QIXUMJFYDZQUIR-JEZHCXPESA-N 1 3 168.284 0.969 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)[C@@H](O)[C@@H]1C 253485174 572692745 /nfs/dbraw/zinc/69/27/45/572692745.db2.gz MLUUCDJESMESEE-CIUDSAMLSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)[C@@H](O)[C@@H]1C 253485174 572692750 /nfs/dbraw/zinc/69/27/50/572692750.db2.gz MLUUCDJESMESEE-CIUDSAMLSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)[C@@H](O)[C@H]1C 253485176 572692929 /nfs/dbraw/zinc/69/29/29/572692929.db2.gz MLUUCDJESMESEE-VGMNWLOBSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)[C@@H](O)[C@H]1C 253485176 572692932 /nfs/dbraw/zinc/69/29/32/572692932.db2.gz MLUUCDJESMESEE-VGMNWLOBSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@H]1COCC[C@@H]1N 299969693 572693189 /nfs/dbraw/zinc/69/31/89/572693189.db2.gz RGNUFKTUDPHAQG-VWYCJHECSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@H]1COCC[C@@H]1N 299969693 572693194 /nfs/dbraw/zinc/69/31/94/572693194.db2.gz RGNUFKTUDPHAQG-VWYCJHECSA-N 1 3 198.310 0.835 10 0 ACAEHO [NH3+]CCCN[C@@H]1CCCOC1 70464708 572693169 /nfs/dbraw/zinc/69/31/69/572693169.db2.gz CXTWGPBYIGNJJT-MRVPVSSYSA-N 1 3 158.245 0.104 10 0 ACAEHO NCCC[NH2+][C@@H]1CCCOC1 70464708 572693174 /nfs/dbraw/zinc/69/31/74/572693174.db2.gz CXTWGPBYIGNJJT-MRVPVSSYSA-N 1 3 158.245 0.104 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)[C@H](O)[C@H]1C 253485175 572693301 /nfs/dbraw/zinc/69/33/01/572693301.db2.gz MLUUCDJESMESEE-HRDYMLBCSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)[C@H](O)[C@H]1C 253485175 572693304 /nfs/dbraw/zinc/69/33/04/572693304.db2.gz MLUUCDJESMESEE-HRDYMLBCSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1C[C@H](C2CC2)[C@@H](CN)C[NH2+]1 253485682 572693785 /nfs/dbraw/zinc/69/37/85/572693785.db2.gz QIXUMJFYDZQUIR-FKTZTGRPSA-N 1 3 168.284 0.969 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@H](CN2CCC2)O1 307106871 572694060 /nfs/dbraw/zinc/69/40/60/572694060.db2.gz YWECXSYPYDYHES-DTWKUNHWSA-N 1 3 170.256 0.198 10 0 ACAEHO C[C@H](O)CCNCC(C)(C)[NH3+] 307872834 572694204 /nfs/dbraw/zinc/69/42/04/572694204.db2.gz MFHHUJYAAHGFTA-ZETCQYMHSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@H](CO)NCCC(C)(C)[NH3+] 307872603 572694221 /nfs/dbraw/zinc/69/42/21/572694221.db2.gz LIYGOXUCRYALMD-SSDOTTSWSA-N 1 3 160.261 0.084 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)[C@H](O)[C@@H]1C 253485177 572694374 /nfs/dbraw/zinc/69/43/74/572694374.db2.gz MLUUCDJESMESEE-XHNCKOQMSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)[C@H](O)[C@@H]1C 253485177 572694379 /nfs/dbraw/zinc/69/43/79/572694379.db2.gz MLUUCDJESMESEE-XHNCKOQMSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@@H]1COCC[C@H]1N 299969691 572695014 /nfs/dbraw/zinc/69/50/14/572695014.db2.gz RGNUFKTUDPHAQG-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@@H]1COCC[C@H]1N 299969691 572695018 /nfs/dbraw/zinc/69/50/18/572695018.db2.gz RGNUFKTUDPHAQG-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1[C@H](CN)[C@@H](O)C(C)(C)[N@@H+]1C 253486716 572695881 /nfs/dbraw/zinc/69/58/81/572695881.db2.gz ZDMQMUGBLOVYJS-GJMOJQLCSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1[C@H](CN)[C@@H](O)C(C)(C)[N@H+]1C 253486716 572695888 /nfs/dbraw/zinc/69/58/88/572695888.db2.gz ZDMQMUGBLOVYJS-GJMOJQLCSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@H]1COCC[C@H]1N 299969692 572696009 /nfs/dbraw/zinc/69/60/09/572696009.db2.gz RGNUFKTUDPHAQG-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@H]1COCC[C@H]1N 299969692 572696014 /nfs/dbraw/zinc/69/60/14/572696014.db2.gz RGNUFKTUDPHAQG-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1[C@@H](CN)[C@@H](O)C(C)(C)[N@@H+]1C 253486715 572696573 /nfs/dbraw/zinc/69/65/73/572696573.db2.gz ZDMQMUGBLOVYJS-BWZBUEFSSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1[C@@H](CN)[C@@H](O)C(C)(C)[N@H+]1C 253486715 572696577 /nfs/dbraw/zinc/69/65/77/572696577.db2.gz ZDMQMUGBLOVYJS-BWZBUEFSSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](O)[C@@H](CN)[C@H]1C 253486807 572696618 /nfs/dbraw/zinc/69/66/18/572696618.db2.gz ZTIABWUVSFHREK-VGMNWLOBSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](O)[C@@H](CN)[C@H]1C 253486807 572696620 /nfs/dbraw/zinc/69/66/20/572696620.db2.gz ZTIABWUVSFHREK-VGMNWLOBSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@@H]1[C@@H]2CC[NH2+][C@H]2CCN1C 253486467 572696825 /nfs/dbraw/zinc/69/68/25/572696825.db2.gz XHKDPXXVVCZNCE-VGMNWLOBSA-N 1 3 154.257 0.689 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CCC[C@@H]1CO 404619025 572697175 /nfs/dbraw/zinc/69/71/75/572697175.db2.gz VTMVVJPXKDWGHR-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](O)[C@H](CN)[C@H]1C 253486806 572697179 /nfs/dbraw/zinc/69/71/79/572697179.db2.gz ZTIABWUVSFHREK-HLTSFMKQSA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](O)[C@H](CN)[C@H]1C 253486806 572697184 /nfs/dbraw/zinc/69/71/84/572697184.db2.gz ZTIABWUVSFHREK-HLTSFMKQSA-N 1 3 172.272 0.035 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CCC[C@@H]1CO 404619025 572697187 /nfs/dbraw/zinc/69/71/87/572697187.db2.gz VTMVVJPXKDWGHR-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]([NH2+]C1CC(N)C1)C1CCOCC1 235208699 572697534 /nfs/dbraw/zinc/69/75/34/572697534.db2.gz JRGYQIFGTRPYJO-MFAVDMRSSA-N 1 3 198.310 0.881 10 0 ACAEHO CC[C@@H](CN)C[NH2+]CCCF 307871931 572697610 /nfs/dbraw/zinc/69/76/10/572697610.db2.gz KBBDINQJCRNZOM-QMMMGPOBSA-N 1 3 162.252 0.921 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](O)[C@H](CN)[C@@H]1C 253486808 572697628 /nfs/dbraw/zinc/69/76/28/572697628.db2.gz ZTIABWUVSFHREK-YIZRAAEISA-N 1 3 172.272 0.035 10 0 ACAEHO CC(C)[N@H+]1C[C@H](O)[C@H](CN)[C@@H]1C 253486808 572697631 /nfs/dbraw/zinc/69/76/31/572697631.db2.gz ZTIABWUVSFHREK-YIZRAAEISA-N 1 3 172.272 0.035 10 0 ACAEHO CN(C[C@H]1COCC[C@H]1[NH3+])C1CCC1 299970585 572697874 /nfs/dbraw/zinc/69/78/74/572697874.db2.gz VOMZQWYNRAIJFF-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1[C@H]2CC[NH2+][C@H]2CCN1C 253486466 572697928 /nfs/dbraw/zinc/69/79/28/572697928.db2.gz XHKDPXXVVCZNCE-HLTSFMKQSA-N 1 3 154.257 0.689 10 0 ACAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCC[C@@H]1CO 404619026 572698156 /nfs/dbraw/zinc/69/81/56/572698156.db2.gz VTMVVJPXKDWGHR-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCC[C@@H]1CO 404619026 572698159 /nfs/dbraw/zinc/69/81/59/572698159.db2.gz VTMVVJPXKDWGHR-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@H](CN)C[NH2+]CCCF 307871912 572698561 /nfs/dbraw/zinc/69/85/61/572698561.db2.gz KBBDINQJCRNZOM-MRVPVSSYSA-N 1 3 162.252 0.921 10 0 ACAEHO CN(C[C@@H]1COCC[C@H]1[NH3+])C1CCC1 299970587 572698931 /nfs/dbraw/zinc/69/89/31/572698931.db2.gz VOMZQWYNRAIJFF-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[NH2+]C[C@@H]1CN(C)C[C@@H]1C 307622983 572699052 /nfs/dbraw/zinc/69/90/52/572699052.db2.gz DFVXGJZYSYMBNR-DTWKUNHWSA-N 1 3 156.273 0.794 10 0 ACAEHO COC[C@H](C)C[N@H+](C)C[C@H](C)N 308096415 572699122 /nfs/dbraw/zinc/69/91/22/572699122.db2.gz YUVFGJHMLMULQF-BDAKNGLRSA-N 1 3 174.288 0.548 10 0 ACAEHO COC[C@H](C)C[N@@H+](C)C[C@H](C)N 308096415 572699126 /nfs/dbraw/zinc/69/91/26/572699126.db2.gz YUVFGJHMLMULQF-BDAKNGLRSA-N 1 3 174.288 0.548 10 0 ACAEHO CC[NH2+]C[C@H]1CN(C)C[C@@H]1C 307622984 572699149 /nfs/dbraw/zinc/69/91/49/572699149.db2.gz DFVXGJZYSYMBNR-IUCAKERBSA-N 1 3 156.273 0.794 10 0 ACAEHO CCC(CC)(CO)NCC[NH3+] 307871961 572699200 /nfs/dbraw/zinc/69/92/00/572699200.db2.gz LWATUWKBSWCLOZ-UHFFFAOYSA-N 1 3 160.261 0.086 10 0 ACAEHO CC[NH2+]C[C@H]1CN(C)C[C@H]1C 307622982 572699587 /nfs/dbraw/zinc/69/95/87/572699587.db2.gz DFVXGJZYSYMBNR-BDAKNGLRSA-N 1 3 156.273 0.794 10 0 ACAEHO COC[C@@H](C)C[N@H+](C)C[C@@H](C)N 308096416 572699613 /nfs/dbraw/zinc/69/96/13/572699613.db2.gz YUVFGJHMLMULQF-DTWKUNHWSA-N 1 3 174.288 0.548 10 0 ACAEHO COC[C@@H](C)C[N@@H+](C)C[C@@H](C)N 308096416 572699615 /nfs/dbraw/zinc/69/96/15/572699615.db2.gz YUVFGJHMLMULQF-DTWKUNHWSA-N 1 3 174.288 0.548 10 0 ACAEHO CCN1CCCN(C[C@H](C)[NH2+]C)CC1 250374813 572699836 /nfs/dbraw/zinc/69/98/36/572699836.db2.gz WFMBMQNLQDMTIL-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H]1CCN(CCC[NH3+])C[C@H]1O 299961087 572699856 /nfs/dbraw/zinc/69/98/56/572699856.db2.gz AYXUHSBDMDGGCZ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1CCN(CCC[NH3+])C[C@H]1O 299961086 572700077 /nfs/dbraw/zinc/70/00/77/572700077.db2.gz AYXUHSBDMDGGCZ-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CCCO)[N@@H+]1CCC[C@@H](N)C1 238420269 572701010 /nfs/dbraw/zinc/70/10/10/572701010.db2.gz XCURLHBVTYYIBW-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CCCO)[N@H+]1CCC[C@@H](N)C1 238420269 572701013 /nfs/dbraw/zinc/70/10/13/572701013.db2.gz XCURLHBVTYYIBW-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CCCO)N1CCC[C@@H]1C[NH3+] 238420323 572701044 /nfs/dbraw/zinc/70/10/44/572701044.db2.gz UYEQHCALPMYLCC-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO [NH3+]C1CC(NCCOCC2CC2)C1 236167240 572701557 /nfs/dbraw/zinc/70/15/57/572701557.db2.gz LUQZXUQXUMIPOU-UHFFFAOYSA-N 1 3 184.283 0.492 10 0 ACAEHO COC[C@@H](C)C[N@H+](C)C[C@H](C)N 308096417 572701605 /nfs/dbraw/zinc/70/16/05/572701605.db2.gz YUVFGJHMLMULQF-IUCAKERBSA-N 1 3 174.288 0.548 10 0 ACAEHO COC[C@@H](C)C[N@@H+](C)C[C@H](C)N 308096417 572701611 /nfs/dbraw/zinc/70/16/11/572701611.db2.gz YUVFGJHMLMULQF-IUCAKERBSA-N 1 3 174.288 0.548 10 0 ACAEHO COC[C@H](C)C[N@H+](C)C[C@@H](C)N 308096418 572701851 /nfs/dbraw/zinc/70/18/51/572701851.db2.gz YUVFGJHMLMULQF-RKDXNWHRSA-N 1 3 174.288 0.548 10 0 ACAEHO COC[C@H](C)C[N@@H+](C)C[C@@H](C)N 308096418 572701854 /nfs/dbraw/zinc/70/18/54/572701854.db2.gz YUVFGJHMLMULQF-RKDXNWHRSA-N 1 3 174.288 0.548 10 0 ACAEHO CC[NH2+]C[C@@H]1CN(C)C[C@H]1C 307622985 572702050 /nfs/dbraw/zinc/70/20/50/572702050.db2.gz DFVXGJZYSYMBNR-RKDXNWHRSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@@H](CC[NH+](C)C)n1cncc1CN 85197985 572703238 /nfs/dbraw/zinc/70/32/38/572703238.db2.gz MNPPHSJJZANHJR-VIFPVBQESA-N 1 3 196.298 0.855 10 0 ACAEHO CNCc1cncn1CCC[NH+](C)C 85196487 572703285 /nfs/dbraw/zinc/70/32/85/572703285.db2.gz NQSWRLGWBIHQTM-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO C[C@H](O)CC[C@@H](C)[NH2+]CCCN 238434431 572703417 /nfs/dbraw/zinc/70/34/17/572703417.db2.gz QZZGWYMHVVYSLH-BDAKNGLRSA-N 1 3 174.288 0.474 10 0 ACAEHO [NH3+][C@@H]1CC[C@H]2[C@H](C1)N=CN2C1CC1 253618596 572703573 /nfs/dbraw/zinc/70/35/73/572703573.db2.gz UCOZVNBFAMYVIE-JEZHCXPESA-N 1 3 179.267 0.741 10 0 ACAEHO C[C@H](CCO)[N@@H+]1CCC[C@@H](CN)C1 238434728 572703649 /nfs/dbraw/zinc/70/36/49/572703649.db2.gz KQBHRFJOAIWSHX-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCO)[N@H+]1CCC[C@@H](CN)C1 238434728 572703654 /nfs/dbraw/zinc/70/36/54/572703654.db2.gz KQBHRFJOAIWSHX-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCO)N1CCC[C@@H](C[NH3+])C1 238434728 572703658 /nfs/dbraw/zinc/70/36/58/572703658.db2.gz KQBHRFJOAIWSHX-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[NH+](CC)CCn1cncc1CN 85196679 572703676 /nfs/dbraw/zinc/70/36/76/572703676.db2.gz ZJTMRMHQQNLHEB-UHFFFAOYSA-N 1 3 196.298 0.684 10 0 ACAEHO C[C@H](CC[NH+](C)C)n1cncc1CN 85197989 572703746 /nfs/dbraw/zinc/70/37/46/572703746.db2.gz MNPPHSJJZANHJR-SECBINFHSA-N 1 3 196.298 0.855 10 0 ACAEHO CC(C)CC[N@@H+]1CCN(C)[C@@H](CN)C1 253619227 572704428 /nfs/dbraw/zinc/70/44/28/572704428.db2.gz HFLHYHPBOWINBI-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)CC[N@H+]1CCN(C)[C@@H](CN)C1 253619227 572704431 /nfs/dbraw/zinc/70/44/31/572704431.db2.gz HFLHYHPBOWINBI-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H](CO)[N@@H+]1CCCC[C@@H]1CCN 238433011 572704489 /nfs/dbraw/zinc/70/44/89/572704489.db2.gz IMAHMODNXWSAQC-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CO)[N@H+]1CCCC[C@@H]1CCN 238433011 572704493 /nfs/dbraw/zinc/70/44/93/572704493.db2.gz IMAHMODNXWSAQC-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CO)N1CCCC[C@@H]1CC[NH3+] 238433011 572704497 /nfs/dbraw/zinc/70/44/97/572704497.db2.gz IMAHMODNXWSAQC-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCN(C)C2)C1 70586110 572704694 /nfs/dbraw/zinc/70/46/94/572704694.db2.gz CPADIFVCUCWICD-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CCNCc1cncn1CC[NH+](C)C 85196051 572704725 /nfs/dbraw/zinc/70/47/25/572704725.db2.gz HMBWSVMQSGYKCY-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO CNCc1cncn1CC[NH+](C)C 85196055 572704799 /nfs/dbraw/zinc/70/47/99/572704799.db2.gz GNNNYNLBXFRCPV-UHFFFAOYSA-N 1 3 182.271 0.164 10 0 ACAEHO C[NH+](C)CCCn1cncc1CN 85196479 572704887 /nfs/dbraw/zinc/70/48/87/572704887.db2.gz RATBNJHOCUZTTF-UHFFFAOYSA-N 1 3 182.271 0.294 10 0 ACAEHO CC[NH2+][C@H]1CCN([C@@H]2CCN(C)C2)C1 70586111 572705051 /nfs/dbraw/zinc/70/50/51/572705051.db2.gz CPADIFVCUCWICD-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CC1(C)CC[C@](C[NH3+])(NCCO)C1 87772596 572705644 /nfs/dbraw/zinc/70/56/44/572705644.db2.gz SNRWIRFGCYLZBL-JTQLQIEISA-N 1 3 186.299 0.476 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](N)C1 70585252 572705677 /nfs/dbraw/zinc/70/56/77/572705677.db2.gz GVQXAEQGIWVPNP-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](N)C1 70585252 572705680 /nfs/dbraw/zinc/70/56/80/572705680.db2.gz GVQXAEQGIWVPNP-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H]2[C@@H](C1)N=CN2C1CC1 253618598 572705940 /nfs/dbraw/zinc/70/59/40/572705940.db2.gz UCOZVNBFAMYVIE-SZEHBUNVSA-N 1 3 179.267 0.741 10 0 ACAEHO CCOCCN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85285670 572706143 /nfs/dbraw/zinc/70/61/43/572706143.db2.gz LIWCXHMALGLCGZ-GARJFASQSA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](N)C1 70585254 572706365 /nfs/dbraw/zinc/70/63/65/572706365.db2.gz GVQXAEQGIWVPNP-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](N)C1 70585254 572706362 /nfs/dbraw/zinc/70/63/62/572706362.db2.gz GVQXAEQGIWVPNP-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO NCc1cncn1CC[NH+]1CCCC1 85198818 572706845 /nfs/dbraw/zinc/70/68/45/572706845.db2.gz VPEZGQAIIYTCDX-UHFFFAOYSA-N 1 3 194.282 0.438 10 0 ACAEHO CC[N@H+](C)CCn1cncc1CNC 85198808 572707144 /nfs/dbraw/zinc/70/71/44/572707144.db2.gz ZANJTHYBWULTPH-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO CC[N@@H+](C)CCn1cncc1CNC 85198808 572707146 /nfs/dbraw/zinc/70/71/46/572707146.db2.gz ZANJTHYBWULTPH-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCCCCO 307877220 572715054 /nfs/dbraw/zinc/71/50/54/572715054.db2.gz OKVAHLHZAZDOHP-HTQZYQBOSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCCCO 85285385 572707397 /nfs/dbraw/zinc/70/73/97/572707397.db2.gz VTQYLLPURZGFPD-MXWKQRLJSA-N 1 3 198.310 0.299 10 0 ACAEHO CNCc1cncn1C[C@@H](C)[NH+](C)C 85198327 572707491 /nfs/dbraw/zinc/70/74/91/572707491.db2.gz JIDULHQJIGCKMZ-SECBINFHSA-N 1 3 196.298 0.553 10 0 ACAEHO C[NH+](C)C(C)(C)Cn1cncc1CN 85198081 572707557 /nfs/dbraw/zinc/70/75/57/572707557.db2.gz RKBGAYUKNWTOQD-UHFFFAOYSA-N 1 3 196.298 0.682 10 0 ACAEHO C[C@H](Cn1cncc1CN)[NH+](C)C 85198311 572707585 /nfs/dbraw/zinc/70/75/85/572707585.db2.gz YPDBFMJDGJDDEA-MRVPVSSYSA-N 1 3 182.271 0.292 10 0 ACAEHO C[NH+](C)CCCCn1cncc1CN 85198429 572707599 /nfs/dbraw/zinc/70/75/99/572707599.db2.gz ZIAYHJOJXFBRNE-UHFFFAOYSA-N 1 3 196.298 0.684 10 0 ACAEHO CNCc1cncn1C[C@H](C)[NH+](C)C 85198324 572707630 /nfs/dbraw/zinc/70/76/30/572707630.db2.gz JIDULHQJIGCKMZ-VIFPVBQESA-N 1 3 196.298 0.553 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCCCO 85285390 572708097 /nfs/dbraw/zinc/70/80/97/572708097.db2.gz VTQYLLPURZGFPD-GMTAPVOTSA-N 1 3 198.310 0.299 10 0 ACAEHO C[N@H+](CCn1cncc1CN)C1CC1 85198939 572707941 /nfs/dbraw/zinc/70/79/41/572707941.db2.gz MFQNRSFGTGAARX-UHFFFAOYSA-N 1 3 194.282 0.436 10 0 ACAEHO C[N@@H+](CCn1cncc1CN)C1CC1 85198939 572707945 /nfs/dbraw/zinc/70/79/45/572707945.db2.gz MFQNRSFGTGAARX-UHFFFAOYSA-N 1 3 194.282 0.436 10 0 ACAEHO CC[N@H+](C)CCn1cncc1CN 85198795 572708424 /nfs/dbraw/zinc/70/84/24/572708424.db2.gz YQPOFNPGFBSQML-UHFFFAOYSA-N 1 3 182.271 0.294 10 0 ACAEHO CC[N@@H+](C)CCn1cncc1CN 85198795 572708427 /nfs/dbraw/zinc/70/84/27/572708427.db2.gz YQPOFNPGFBSQML-UHFFFAOYSA-N 1 3 182.271 0.294 10 0 ACAEHO OSCCNC[C@H]1CCC[NH2+]C1 527081120 572708823 /nfs/dbraw/zinc/70/88/23/572708823.db2.gz ZIWZXCVOLWTFPH-QMMMGPOBSA-N 1 3 189.304 0.654 10 0 ACAEHO C[C@H](CCO)[N@@H+]1CC[C@@H](CN)C1 238434825 572708945 /nfs/dbraw/zinc/70/89/45/572708945.db2.gz UILJMCYLZPNOTN-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CCO)[N@H+]1CC[C@@H](CN)C1 238434825 572708950 /nfs/dbraw/zinc/70/89/50/572708950.db2.gz UILJMCYLZPNOTN-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]([NH3+])COC(=O)C1=CCCN(C)C1 238424463 572709020 /nfs/dbraw/zinc/70/90/20/572709020.db2.gz CTQGLJKRAHZFED-MRVPVSSYSA-N 1 3 198.266 0.139 10 0 ACAEHO C[C@@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 235228371 572714573 /nfs/dbraw/zinc/71/45/73/572714573.db2.gz JQZXYQQVMWAYES-BBBLOLIVSA-N 1 3 198.310 0.297 10 0 ACAEHO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCOC1 87783870 572716281 /nfs/dbraw/zinc/71/62/81/572716281.db2.gz KTGHJSUKRRFGAQ-HBNTYKKESA-N 1 3 198.310 0.896 10 0 ACAEHO OSCCNC[C@@H]1CCC[NH2+]C1 527081119 572710137 /nfs/dbraw/zinc/71/01/37/572710137.db2.gz ZIWZXCVOLWTFPH-MRVPVSSYSA-N 1 3 189.304 0.654 10 0 ACAEHO CN1CCC[C@@H](C[NH2+]CCF)C1 87774997 572710780 /nfs/dbraw/zinc/71/07/80/572710780.db2.gz KTVPBIMMRGFVDJ-VIFPVBQESA-N 1 3 174.263 0.887 10 0 ACAEHO CC1(C)CN(CCC(N)=[NH2+])C[C@H]1O 307626359 572710969 /nfs/dbraw/zinc/71/09/69/572710969.db2.gz HQLIFQSQHQMZPZ-SSDOTTSWSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H]([NH2+][C@H](C)CN(C)C)[C@@H](C)N 308097342 572711037 /nfs/dbraw/zinc/71/10/37/572711037.db2.gz DQCQZANLVFQCRC-HLTSFMKQSA-N 1 3 173.304 0.262 10 0 ACAEHO C[C@H](O)C[C@H](C)[NH2+]C[C@H](C)CN 308097560 572711428 /nfs/dbraw/zinc/71/14/28/572711428.db2.gz DRDKDNVVSULBEI-VGMNWLOBSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](C)CN 308097558 572711601 /nfs/dbraw/zinc/71/16/01/572711601.db2.gz DRDKDNVVSULBEI-CIUDSAMLSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]C[C@H](C)N(C)C 308097606 572712156 /nfs/dbraw/zinc/71/21/56/572712156.db2.gz DURVCRINNWFJKS-XHNCKOQMSA-N 1 3 173.304 0.262 10 0 ACAEHO C[C@H](CN(C)C)[NH2+][C@H](C)[C@@H](C)N 308097344 572712358 /nfs/dbraw/zinc/71/23/58/572712358.db2.gz DQCQZANLVFQCRC-IWSPIJDZSA-N 1 3 173.304 0.262 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]C[C@H](C)N(C)C 308097603 572712477 /nfs/dbraw/zinc/71/24/77/572712477.db2.gz DURVCRINNWFJKS-CIUDSAMLSA-N 1 3 173.304 0.262 10 0 ACAEHO C[C@H](CN)C[NH2+]CC(C)(C)CO 308097940 572712564 /nfs/dbraw/zinc/71/25/64/572712564.db2.gz FAWHJIHALBBLCT-MRVPVSSYSA-N 1 3 174.288 0.189 10 0 ACAEHO CC(C)(CN)C[NH2+]CCCF 307879964 572712718 /nfs/dbraw/zinc/71/27/18/572712718.db2.gz QRRIVTIVDJENDH-UHFFFAOYSA-N 1 3 162.252 0.921 10 0 ACAEHO C[C@H](O)CC[C@H](C)[NH2+]CCCN 238435126 572712732 /nfs/dbraw/zinc/71/27/32/572712732.db2.gz QZZGWYMHVVYSLH-IUCAKERBSA-N 1 3 174.288 0.474 10 0 ACAEHO CN1CCC[C@H](C[NH2+]CCF)C1 87774996 572712756 /nfs/dbraw/zinc/71/27/56/572712756.db2.gz KTVPBIMMRGFVDJ-SECBINFHSA-N 1 3 174.263 0.887 10 0 ACAEHO C[C@@H](CN)C[NH2+]CC(C)(C)CO 308097945 572712979 /nfs/dbraw/zinc/71/29/79/572712979.db2.gz FAWHJIHALBBLCT-QMMMGPOBSA-N 1 3 174.288 0.189 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]C[C@@H](C)N(C)C 308097605 572713037 /nfs/dbraw/zinc/71/30/37/572713037.db2.gz DURVCRINNWFJKS-VGMNWLOBSA-N 1 3 173.304 0.262 10 0 ACAEHO CC1(C)CN(CCC(N)=[NH2+])C[C@@H]1O 307626360 572713130 /nfs/dbraw/zinc/71/31/30/572713130.db2.gz HQLIFQSQHQMZPZ-ZETCQYMHSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+][C@H](C)CN(C)C 308097343 572713362 /nfs/dbraw/zinc/71/33/62/572713362.db2.gz DQCQZANLVFQCRC-HRDYMLBCSA-N 1 3 173.304 0.262 10 0 ACAEHO CN(CCN1CCCCC1)C1C[NH2+]C1 85257917 572713667 /nfs/dbraw/zinc/71/36/67/572713667.db2.gz BYTFDKWESANJGS-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO CN(C)C[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 70620260 572713840 /nfs/dbraw/zinc/71/38/40/572713840.db2.gz LEZQUSSWQQJMAU-KATARQTJSA-N 1 3 168.284 0.921 10 0 ACAEHO CC[C@@H](COC)NCCC[NH3+] 70624143 572713918 /nfs/dbraw/zinc/71/39/18/572713918.db2.gz WCPCJOUXFWVGDD-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@@H](COC)[NH2+]CCCN 70624143 572713922 /nfs/dbraw/zinc/71/39/22/572713922.db2.gz WCPCJOUXFWVGDD-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCOC2)C1 87784841 572713942 /nfs/dbraw/zinc/71/39/42/572713942.db2.gz QUQMZNAFEKBVHU-IVZWLZJFSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H](O)C[C@@H](C)[NH2+]C[C@@H](C)CN 308097561 572714054 /nfs/dbraw/zinc/71/40/54/572714054.db2.gz DRDKDNVVSULBEI-YIZRAAEISA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H](O)C[C@@H](C)[NH2+]C[C@H](C)CN 308097559 572714107 /nfs/dbraw/zinc/71/41/07/572714107.db2.gz DRDKDNVVSULBEI-HLTSFMKQSA-N 1 3 174.288 0.330 10 0 ACAEHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 87783172 572714285 /nfs/dbraw/zinc/71/42/85/572714285.db2.gz LYBAGBYROILDJX-MXWKQRLJSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1CCOC1 87783172 572714290 /nfs/dbraw/zinc/71/42/90/572714290.db2.gz LYBAGBYROILDJX-MXWKQRLJSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]C[C@@H](C)N(C)C 308097604 572714341 /nfs/dbraw/zinc/71/43/41/572714341.db2.gz DURVCRINNWFJKS-HRDYMLBCSA-N 1 3 173.304 0.262 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCOC2)C1 87784844 572714484 /nfs/dbraw/zinc/71/44/84/572714484.db2.gz QUQMZNAFEKBVHU-LPEHRKFASA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCOC1 87784810 572714771 /nfs/dbraw/zinc/71/47/71/572714771.db2.gz ADTAMIRWIBJSIW-OPRDCNLKSA-N 1 3 184.283 0.492 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 87784810 572714775 /nfs/dbraw/zinc/71/47/75/572714775.db2.gz ADTAMIRWIBJSIW-OPRDCNLKSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCOC1 87783868 572714836 /nfs/dbraw/zinc/71/48/36/572714836.db2.gz KTGHJSUKRRFGAQ-OUAUKWLOSA-N 1 3 198.310 0.896 10 0 ACAEHO CCN(CCN1CCCC1)C1C[NH2+]C1 85259285 572714870 /nfs/dbraw/zinc/71/48/70/572714870.db2.gz JSFNHTRDCDTKLC-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@@H](Nc1ncc[nH]1)c1c[nH+]c(N)[nH]1 196920605 572714914 /nfs/dbraw/zinc/71/49/14/572714914.db2.gz VZFSSEKYVZAKNO-RXMQYKEDSA-N 1 3 192.226 0.888 10 0 ACAEHO CCCN(C1C[NH2+]C1)[C@@H]1CCN(C)C1 85270594 572714973 /nfs/dbraw/zinc/71/49/73/572714973.db2.gz YKVQEFVNTYUGIS-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO CCCN(C1C[NH2+]C1)[C@H]1CCN(C)C1 85270595 572715343 /nfs/dbraw/zinc/71/53/43/572715343.db2.gz YKVQEFVNTYUGIS-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCOC1 87784814 572715411 /nfs/dbraw/zinc/71/54/11/572715411.db2.gz ADTAMIRWIBJSIW-BBBLOLIVSA-N 1 3 184.283 0.492 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 87784814 572715416 /nfs/dbraw/zinc/71/54/16/572715416.db2.gz ADTAMIRWIBJSIW-BBBLOLIVSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H](NCCCCO)[C@@H](C)[NH3+] 307877222 572715790 /nfs/dbraw/zinc/71/57/90/572715790.db2.gz OKVAHLHZAZDOHP-SFYZADRCSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCCCO 307877221 572715806 /nfs/dbraw/zinc/71/58/06/572715806.db2.gz OKVAHLHZAZDOHP-JGVFFNPUSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@H](Nc1ncc[nH]1)c1c[nH+]c(N)[nH]1 196920598 572715970 /nfs/dbraw/zinc/71/59/70/572715970.db2.gz VZFSSEKYVZAKNO-YFKPBYRVSA-N 1 3 192.226 0.888 10 0 ACAEHO CC[C@@H]([NH3+])COCCN(C)C 74496710 572716207 /nfs/dbraw/zinc/71/62/07/572716207.db2.gz IIZIGOJKZBVWLM-MRVPVSSYSA-N 1 3 160.261 0.302 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N[C@@H]2CCOC2)C1 87784836 572716326 /nfs/dbraw/zinc/71/63/26/572716326.db2.gz BJKQOVCYUWAQCY-XHNCKOQMSA-N 1 3 170.256 0.245 10 0 ACAEHO C[C@@H](O)[C@H]([NH3+])CNc1ccncc1 70648198 572716816 /nfs/dbraw/zinc/71/68/16/572716816.db2.gz IRIHARCXBLQRBF-VXNVDRBHSA-N 1 3 181.239 0.202 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCCCO 307877223 572716903 /nfs/dbraw/zinc/71/69/03/572716903.db2.gz OKVAHLHZAZDOHP-YUMQZZPRSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCOC1 87783867 572717090 /nfs/dbraw/zinc/71/70/90/572717090.db2.gz KTGHJSUKRRFGAQ-GARJFASQSA-N 1 3 198.310 0.896 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCCO 85287529 572717099 /nfs/dbraw/zinc/71/70/99/572717099.db2.gz CALFBBJDPBKYGW-GMTAPVOTSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@H]([NH3+])COCCN(C)C 74496705 572717103 /nfs/dbraw/zinc/71/71/03/572717103.db2.gz IIZIGOJKZBVWLM-QMMMGPOBSA-N 1 3 160.261 0.302 10 0 ACAEHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCOC1 87783871 572717120 /nfs/dbraw/zinc/71/71/20/572717120.db2.gz KTGHJSUKRRFGAQ-GMTAPVOTSA-N 1 3 198.310 0.896 10 0 ACAEHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1 87783173 572717137 /nfs/dbraw/zinc/71/71/37/572717137.db2.gz LYBAGBYROILDJX-GMTAPVOTSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1CCOC1 87783173 572717138 /nfs/dbraw/zinc/71/71/38/572717138.db2.gz LYBAGBYROILDJX-GMTAPVOTSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N[C@@H]2CCOC2)C1 87784839 572717147 /nfs/dbraw/zinc/71/71/47/572717147.db2.gz BJKQOVCYUWAQCY-DJLDLDEBSA-N 1 3 170.256 0.245 10 0 ACAEHO C[C@@H](CCO)C[NH2+]C[C@H](C)CN 308098648 572717173 /nfs/dbraw/zinc/71/71/73/572717173.db2.gz FJMPAXIMAYIRDL-DTWKUNHWSA-N 1 3 174.288 0.189 10 0 ACAEHO CN(CCCO)CCC(C)(C)[NH3+] 308099142 572717254 /nfs/dbraw/zinc/71/72/54/572717254.db2.gz FTISBJLAJUDRJK-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@H](COC)N1C[C@H]2C[NH2+]C[C@@H]2C1 85282188 572717351 /nfs/dbraw/zinc/71/73/51/572717351.db2.gz SHSRYLGCERHTNR-GMTAPVOTSA-N 1 3 198.310 0.563 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN([C@@H]2CCOC2)[C@@H]1C 87787569 572717957 /nfs/dbraw/zinc/71/79/57/572717957.db2.gz WXPFBLQJNTYHRL-ZDCRXTMVSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@@H](C)CCO 308098650 572717470 /nfs/dbraw/zinc/71/74/70/572717470.db2.gz FJMPAXIMAYIRDL-IUCAKERBSA-N 1 3 174.288 0.189 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCOC 85287487 572717622 /nfs/dbraw/zinc/71/76/22/572717622.db2.gz RRYIZDBFOMPXSN-OUAUKWLOSA-N 1 3 198.310 0.563 10 0 ACAEHO CC[C@H](COC)N1C[C@@H]2C[NH2+]C[C@@H]2C1 85282186 572717635 /nfs/dbraw/zinc/71/76/35/572717635.db2.gz SHSRYLGCERHTNR-OUAUKWLOSA-N 1 3 198.310 0.563 10 0 ACAEHO CCCCN1CCN(C2C[NH2+]C2)CC1 85279465 572717872 /nfs/dbraw/zinc/71/78/72/572717872.db2.gz QNOGLBDGAXAPDN-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO CC[N@H+]1C[C@H](C)CNC[C@H]1C 250387859 572722273 /nfs/dbraw/zinc/72/22/73/572722273.db2.gz XUMRFTQPCNRDNI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCCCN1CC(N2CC[NH2+]CC2)C1 85279853 572718142 /nfs/dbraw/zinc/71/81/42/572718142.db2.gz MRUZAXNGXFBIQY-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@@H](CN)C[NH2+]C[C@H](C)CCO 308098646 572718195 /nfs/dbraw/zinc/71/81/95/572718195.db2.gz FJMPAXIMAYIRDL-BDAKNGLRSA-N 1 3 174.288 0.189 10 0 ACAEHO C[C@@H](O)[C@@H]([NH3+])CNc1ccncc1 70648200 572718328 /nfs/dbraw/zinc/71/83/28/572718328.db2.gz IRIHARCXBLQRBF-APPZFPTMSA-N 1 3 181.239 0.202 10 0 ACAEHO OSCC[NH2+]C1CCNCC1 527079681 572718258 /nfs/dbraw/zinc/71/82/58/572718258.db2.gz RWUQIIWMNZAFQS-UHFFFAOYSA-N 1 3 175.277 0.407 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCOC 85287483 572718555 /nfs/dbraw/zinc/71/85/55/572718555.db2.gz RRYIZDBFOMPXSN-GMTAPVOTSA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@@H]1CC[C@@H](N2CCC([NH3+])CC2)C1 234802927 572718683 /nfs/dbraw/zinc/71/86/83/572718683.db2.gz DBXLEFKIHORJHJ-GHMZBOCLSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 87790529 572718822 /nfs/dbraw/zinc/71/88/22/572718822.db2.gz ASFFBNOSZIXQKB-SPGGCIFMSA-N 1 3 182.267 0.386 10 0 ACAEHO C[C@H](O)[C@@H]([NH3+])CNc1ccncc1 70648199 572718860 /nfs/dbraw/zinc/71/88/60/572718860.db2.gz IRIHARCXBLQRBF-CBAPKCEASA-N 1 3 181.239 0.202 10 0 ACAEHO CC[C@@H](COC)N1C[C@@H]2C[NH2+]C[C@@H]2C1 85282185 572719338 /nfs/dbraw/zinc/71/93/38/572719338.db2.gz SHSRYLGCERHTNR-AXFHLTTASA-N 1 3 198.310 0.563 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCCO 85287533 572719420 /nfs/dbraw/zinc/71/94/20/572719420.db2.gz CALFBBJDPBKYGW-OUAUKWLOSA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@H](O)[C@H]([NH3+])CNc1ccncc1 70648197 572719553 /nfs/dbraw/zinc/71/95/53/572719553.db2.gz IRIHARCXBLQRBF-IONNQARKSA-N 1 3 181.239 0.202 10 0 ACAEHO C1CC(N[C@H]2C[C@H]3CC[C@@H]2O3)CC[NH2+]1 87790449 572720042 /nfs/dbraw/zinc/72/00/42/572720042.db2.gz NERWHVIVAVHLRW-VWYCJHECSA-N 1 3 196.294 0.648 10 0 ACAEHO C1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2O3)CCN1 87790449 572720045 /nfs/dbraw/zinc/72/00/45/572720045.db2.gz NERWHVIVAVHLRW-VWYCJHECSA-N 1 3 196.294 0.648 10 0 ACAEHO [NH3+]C1CC(N[C@H]2C[C@H]3CC[C@@H]2O3)C1 87790532 572720282 /nfs/dbraw/zinc/72/02/82/572720282.db2.gz ASFFBNOSZIXQKB-UHRRMTARSA-N 1 3 182.267 0.386 10 0 ACAEHO C[C@H]1[C@@H]([NH3+])CCN([C@@H]2CCOC2)[C@@H]1C 87787567 572720409 /nfs/dbraw/zinc/72/04/09/572720409.db2.gz WXPFBLQJNTYHRL-DBIOUOCHSA-N 1 3 198.310 0.833 10 0 ACAEHO [NH3+]CC1CCN(CCSO)CC1 527081084 572720577 /nfs/dbraw/zinc/72/05/77/572720577.db2.gz MRMRGMHQKRISQS-UHFFFAOYSA-N 1 3 189.304 0.736 10 0 ACAEHO CNCC(C)(C)[NH2+]CCSC 313089449 572720606 /nfs/dbraw/zinc/72/06/06/572720606.db2.gz GCZQSBAYXDSJMH-UHFFFAOYSA-N 1 3 176.329 0.937 10 0 ACAEHO C[C@@H](C[NH3+])SC[C@H]1CNCCO1 85302102 572721486 /nfs/dbraw/zinc/72/14/86/572721486.db2.gz YYHHVHKCAQFEEM-JGVFFNPUSA-N 1 3 190.312 0.055 10 0 ACAEHO C[C@H](C[NH3+])SC[C@@H]1CNCCO1 85302098 572721069 /nfs/dbraw/zinc/72/10/69/572721069.db2.gz YYHHVHKCAQFEEM-SFYZADRCSA-N 1 3 190.312 0.055 10 0 ACAEHO [NH3+]C[C@H]1CCN(CCCSO)C1 527081058 572721101 /nfs/dbraw/zinc/72/11/01/572721101.db2.gz CBIQWXUIUYZUAV-MRVPVSSYSA-N 1 3 189.304 0.736 10 0 ACAEHO C[C@@H]([NH3+])CSC[C@@H]1CNCCO1 85310590 572721964 /nfs/dbraw/zinc/72/19/64/572721964.db2.gz GZUXHBXIMRRAFL-SFYZADRCSA-N 1 3 190.312 0.055 10 0 ACAEHO CCN1C[C@H](C)C[NH2+]C[C@H]1C 250387859 572722280 /nfs/dbraw/zinc/72/22/80/572722280.db2.gz XUMRFTQPCNRDNI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO OSCC[NH2+][C@@H]1CCCNC1 527079696 572722168 /nfs/dbraw/zinc/72/21/68/572722168.db2.gz WUZGHLVZHCQDNO-SSDOTTSWSA-N 1 3 175.277 0.407 10 0 ACAEHO CC[N@@H+]1C[C@H](C)CNC[C@H]1C 250387859 572722271 /nfs/dbraw/zinc/72/22/71/572722271.db2.gz XUMRFTQPCNRDNI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]([NH3+])CSC[C@@H]1CNCCO1 85310588 572722236 /nfs/dbraw/zinc/72/22/36/572722236.db2.gz GZUXHBXIMRRAFL-YUMQZZPRSA-N 1 3 190.312 0.055 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)CNC[C@H]1C 250387855 572724000 /nfs/dbraw/zinc/72/40/00/572724000.db2.gz XUMRFTQPCNRDNI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@H+]1C[C@@H](C)CNC[C@H]1C 250387855 572724006 /nfs/dbraw/zinc/72/40/06/572724006.db2.gz XUMRFTQPCNRDNI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1C[C@@H](C)C[NH2+]C[C@H]1C 250387855 572724010 /nfs/dbraw/zinc/72/40/10/572724010.db2.gz XUMRFTQPCNRDNI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CN1CCN(C2CCC2)C[C@H]1CC[NH3+] 250387915 572724150 /nfs/dbraw/zinc/72/41/50/572724150.db2.gz OKJOYEORQLTBMI-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1C[C@H](C)C[N@H+](C)C[C@H]1CNC 250386598 572724582 /nfs/dbraw/zinc/72/45/82/572724582.db2.gz XRAFXMTZQAASMU-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO CCN1C[C@H](C)C[N@@H+](C)C[C@H]1CNC 250386598 572724584 /nfs/dbraw/zinc/72/45/84/572724584.db2.gz XRAFXMTZQAASMU-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO CCN1C[C@@H](C)C[N@H+](C)C[C@H]1CNC 250386602 572724636 /nfs/dbraw/zinc/72/46/36/572724636.db2.gz XRAFXMTZQAASMU-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO CCN1C[C@@H](C)C[N@@H+](C)C[C@H]1CNC 250386602 572724639 /nfs/dbraw/zinc/72/46/39/572724639.db2.gz XRAFXMTZQAASMU-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO CO[C@@H]1CCCN(C/C=C\C[NH3+])C1 308100360 572725272 /nfs/dbraw/zinc/72/52/72/572725272.db2.gz FQLRKKNPWFBEJJ-MXQLGCADSA-N 1 3 184.283 0.612 10 0 ACAEHO [NH3+]CCCSC[C@H]1CNCCO1 85314590 572725307 /nfs/dbraw/zinc/72/53/07/572725307.db2.gz MCLGJMKQGFNSIM-MRVPVSSYSA-N 1 3 190.312 0.057 10 0 ACAEHO CO[C@H]1CCCN(C/C=C\C[NH3+])C1 308100362 572725538 /nfs/dbraw/zinc/72/55/38/572725538.db2.gz FQLRKKNPWFBEJJ-ZMWSMAPVSA-N 1 3 184.283 0.612 10 0 ACAEHO [NH3+]CCCSC[C@@H]1CNCCO1 85314589 572726543 /nfs/dbraw/zinc/72/65/43/572726543.db2.gz MCLGJMKQGFNSIM-QMMMGPOBSA-N 1 3 190.312 0.057 10 0 ACAEHO C[C@@H](C[NH3+])CSCCN(C)C 85320019 572726923 /nfs/dbraw/zinc/72/69/23/572726923.db2.gz DMQLIITUULXJEH-QMMMGPOBSA-N 1 3 176.329 0.876 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCO 236176560 572727989 /nfs/dbraw/zinc/72/79/89/572727989.db2.gz JPPACGBRTGCVHE-UWVGGRQHSA-N 1 3 186.299 0.476 10 0 ACAEHO C[C@H](C[NH3+])CSCCN(C)C 85320020 572728149 /nfs/dbraw/zinc/72/81/49/572728149.db2.gz DMQLIITUULXJEH-MRVPVSSYSA-N 1 3 176.329 0.876 10 0 ACAEHO CN1CCN(CC2CC2)[C@@H](CC[NH3+])C1 250388591 572728929 /nfs/dbraw/zinc/72/89/29/572728929.db2.gz OQBAMOFRIZCZNL-NSHDSACASA-N 1 3 197.326 0.361 10 0 ACAEHO CCN1CCCC[C@H]1[C@H](C[NH3+])CO 250395405 572730625 /nfs/dbraw/zinc/73/06/25/572730625.db2.gz YOFRJTLHQRJCLG-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CN1CCN(C2CCC2)[C@@H](CC[NH3+])C1 250392549 572730909 /nfs/dbraw/zinc/73/09/09/572730909.db2.gz PTLUTBXEVMPRGY-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H](O)CNCCC(C)(C)[NH3+] 307887786 572731377 /nfs/dbraw/zinc/73/13/77/572731377.db2.gz YYGGEYKZRVBVPA-SSDOTTSWSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@H](O)CNCCC(C)(C)[NH3+] 307887787 572731776 /nfs/dbraw/zinc/73/17/76/572731776.db2.gz YYGGEYKZRVBVPA-ZETCQYMHSA-N 1 3 160.261 0.084 10 0 ACAEHO CCN1CCCC[C@@H]1[C@H](C[NH3+])CO 250395403 572731902 /nfs/dbraw/zinc/73/19/02/572731902.db2.gz YOFRJTLHQRJCLG-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CO[C@@H]1C[NH2+]C[C@H]1Nc1ccncc1 77480627 572732439 /nfs/dbraw/zinc/73/24/39/572732439.db2.gz RALSPGWCEAJWNK-NXEZZACHSA-N 1 3 193.250 0.480 10 0 ACAEHO CCN1C[C@H](C)N(C)C[C@H]1CC[NH2+]C 250399725 572732515 /nfs/dbraw/zinc/73/25/15/572732515.db2.gz ZAACUXLFFQLBSR-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CO[C@@H]1C[NH2+]C[C@@H]1Nc1ccncc1 77480624 572732792 /nfs/dbraw/zinc/73/27/92/572732792.db2.gz RALSPGWCEAJWNK-VHSXEESVSA-N 1 3 193.250 0.480 10 0 ACAEHO CCN1C[C@@H](C)N(C)C[C@H]1CC[NH2+]C 250399718 572732850 /nfs/dbraw/zinc/73/28/50/572732850.db2.gz ZAACUXLFFQLBSR-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@@H](C[NH3+])C1(SC)CC1 307628884 572733261 /nfs/dbraw/zinc/73/32/61/572733261.db2.gz KUMBYYHWHNMNIQ-LURJTMIESA-N 1 3 160.286 0.429 10 0 ACAEHO CCN1[C@@H](C)CN(C)C[C@H]1CC[NH2+]C 250397104 572733363 /nfs/dbraw/zinc/73/33/63/572733363.db2.gz YSLBNRCBXXCLEY-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CN1CC[C@@](C[NH3+])(N(C)C(C)(C)C)C1 307634258 572733483 /nfs/dbraw/zinc/73/34/83/572733483.db2.gz PJDPQTCKGWJUDN-NSHDSACASA-N 1 3 199.342 0.750 10 0 ACAEHO CN[C@H](C[NH3+])C1(SC)CC1 307628885 572733685 /nfs/dbraw/zinc/73/36/85/572733685.db2.gz KUMBYYHWHNMNIQ-ZCFIWIBFSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H](CCO)NCCC(C)(C)[NH3+] 308110222 572733741 /nfs/dbraw/zinc/73/37/41/572733741.db2.gz JQZNYTWZMWEIRZ-MRVPVSSYSA-N 1 3 174.288 0.474 10 0 ACAEHO CN1CC[C@](C[NH3+])(N(C)C(C)(C)C)C1 307634257 572733982 /nfs/dbraw/zinc/73/39/82/572733982.db2.gz PJDPQTCKGWJUDN-LLVKDONJSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](CCO)[C@@H](C)[C@H](C)N 307888537 572734295 /nfs/dbraw/zinc/73/42/95/572734295.db2.gz XDLJBMSFRVVRTO-YUMQZZPRSA-N 1 3 160.261 0.036 10 0 ACAEHO CC[N@@H+](CCO)[C@@H](C)[C@H](C)N 307888537 572734298 /nfs/dbraw/zinc/73/42/98/572734298.db2.gz XDLJBMSFRVVRTO-YUMQZZPRSA-N 1 3 160.261 0.036 10 0 ACAEHO C[C@@H](C[NH3+])CNCCC(F)F 307893977 572734370 /nfs/dbraw/zinc/73/43/70/572734370.db2.gz HBPIXLZKZGNKJU-LURJTMIESA-N 1 3 166.215 0.826 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCC(F)F 307893977 572734373 /nfs/dbraw/zinc/73/43/73/572734373.db2.gz HBPIXLZKZGNKJU-LURJTMIESA-N 1 3 166.215 0.826 10 0 ACAEHO CC[N@H+](CCO)[C@H](C)[C@@H](C)N 307888532 572734904 /nfs/dbraw/zinc/73/49/04/572734904.db2.gz XDLJBMSFRVVRTO-HTQZYQBOSA-N 1 3 160.261 0.036 10 0 ACAEHO CC[N@@H+](CCO)[C@H](C)[C@@H](C)N 307888532 572734907 /nfs/dbraw/zinc/73/49/07/572734907.db2.gz XDLJBMSFRVVRTO-HTQZYQBOSA-N 1 3 160.261 0.036 10 0 ACAEHO CCN(CC)C[C@@H]1COC[C@H]1[NH3+] 85375026 572735809 /nfs/dbraw/zinc/73/58/09/572735809.db2.gz CQJILLCOYUNRBA-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN(C[C@H]1COC[C@@H]1[NH3+])C1CC1 85375191 572735086 /nfs/dbraw/zinc/73/50/86/572735086.db2.gz OOZLRJLTSIRZSJ-WPRPVWTQSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+][C@H](CNC1CC1)CC1CC1 307888234 572735203 /nfs/dbraw/zinc/73/52/03/572735203.db2.gz ZFDNEWSWHHWYOI-QMMMGPOBSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCC(C)(C)O 308108054 572735397 /nfs/dbraw/zinc/73/53/97/572735397.db2.gz IRSWTGLMUXJNPB-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H](C[NH3+])CNCCC(C)(C)O 308108054 572735404 /nfs/dbraw/zinc/73/54/04/572735404.db2.gz IRSWTGLMUXJNPB-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO CC[N@H+](CCO)[C@@H](C)[C@@H](C)N 307888535 572735496 /nfs/dbraw/zinc/73/54/96/572735496.db2.gz XDLJBMSFRVVRTO-SFYZADRCSA-N 1 3 160.261 0.036 10 0 ACAEHO CC[N@@H+](CCO)[C@@H](C)[C@@H](C)N 307888535 572735500 /nfs/dbraw/zinc/73/55/00/572735500.db2.gz XDLJBMSFRVVRTO-SFYZADRCSA-N 1 3 160.261 0.036 10 0 ACAEHO CN1CCC[C@]2(CCC[C@H](C[NH3+])O2)C1 686238262 572735783 /nfs/dbraw/zinc/73/57/83/572735783.db2.gz VZSZNUJLPIQADN-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO COC[C@@H](C)C[NH2+]C[C@@H](C)CN 308107035 572735555 /nfs/dbraw/zinc/73/55/55/572735555.db2.gz IKCPNFKXVHKLCA-IUCAKERBSA-N 1 3 174.288 0.453 10 0 ACAEHO CCN1[C@H](C)CN(C)C[C@H]1CC[NH2+]C 250397100 572735799 /nfs/dbraw/zinc/73/57/99/572735799.db2.gz YSLBNRCBXXCLEY-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CCN(CC)C[C@H]1COC[C@@H]1[NH3+] 85375024 572735800 /nfs/dbraw/zinc/73/58/00/572735800.db2.gz CQJILLCOYUNRBA-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO CSCC[NH2+][C@@H]1CCNC[C@@H]1C 308107831 572735718 /nfs/dbraw/zinc/73/57/18/572735718.db2.gz IPPARVHUVZIPNR-DTWKUNHWSA-N 1 3 188.340 0.937 10 0 ACAEHO CSCCN[C@@H]1CC[NH2+]C[C@@H]1C 308107831 572735720 /nfs/dbraw/zinc/73/57/20/572735720.db2.gz IPPARVHUVZIPNR-DTWKUNHWSA-N 1 3 188.340 0.937 10 0 ACAEHO CN1CCN(C2CC2)C[C@H]1CC[NH3+] 250402399 572735770 /nfs/dbraw/zinc/73/57/70/572735770.db2.gz TVRMKQTWVGKKAU-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CCN(C[C@@H]1COC[C@@H]1[NH3+])C1CC1 85375190 572736071 /nfs/dbraw/zinc/73/60/71/572736071.db2.gz OOZLRJLTSIRZSJ-SCZZXKLOSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]([C@@H]1CC[NH2+]C1)N1CCC[C@@H]1CO 404680413 572738919 /nfs/dbraw/zinc/73/89/19/572738919.db2.gz KFBRFWOSQOZSFX-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO CCN(CC)C[C@@H]1COC[C@@H]1[NH3+] 85375023 572736226 /nfs/dbraw/zinc/73/62/26/572736226.db2.gz CQJILLCOYUNRBA-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCCN(CCN(C)C)C1C[NH2+]C1 54931637 572736237 /nfs/dbraw/zinc/73/62/37/572736237.db2.gz HZIRLZYQLKCUJK-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO CO[C@@H]1C[C@H](NC2CC([NH3+])C2)C1(C)C 234809159 572736415 /nfs/dbraw/zinc/73/64/15/572736415.db2.gz SFVZBJGJADAZMN-HORUIINNSA-N 1 3 198.310 0.879 10 0 ACAEHO CO[C@@H]1C[C@H]([NH2+]C2CC(N)C2)C1(C)C 234809159 572736420 /nfs/dbraw/zinc/73/64/20/572736420.db2.gz SFVZBJGJADAZMN-HORUIINNSA-N 1 3 198.310 0.879 10 0 ACAEHO COC[C@H](C)C[NH2+]C[C@H](C)CN 308107037 572736558 /nfs/dbraw/zinc/73/65/58/572736558.db2.gz IKCPNFKXVHKLCA-RKDXNWHRSA-N 1 3 174.288 0.453 10 0 ACAEHO CSCC[NH2+][C@H]1CCNC[C@H]1C 308107829 572736777 /nfs/dbraw/zinc/73/67/77/572736777.db2.gz IPPARVHUVZIPNR-BDAKNGLRSA-N 1 3 188.340 0.937 10 0 ACAEHO CSCCN[C@H]1CC[NH2+]C[C@H]1C 308107829 572736778 /nfs/dbraw/zinc/73/67/78/572736778.db2.gz IPPARVHUVZIPNR-BDAKNGLRSA-N 1 3 188.340 0.937 10 0 ACAEHO CC[NH2+][C@@H]1COC[C@H]1CN1CCCC1 85387074 572737044 /nfs/dbraw/zinc/73/70/44/572737044.db2.gz WLCLJVAJJYWKAE-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO COC(C[C@@H](C[NH3+])NC(C)C)OC 85418557 572737152 /nfs/dbraw/zinc/73/71/52/572737152.db2.gz XEBCOSBSTYVGGJ-QMMMGPOBSA-N 1 3 190.287 0.321 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH2+]CC 85387422 572737176 /nfs/dbraw/zinc/73/71/76/572737176.db2.gz DKXJLNUHJRRUKZ-DTWKUNHWSA-N 1 3 172.272 0.220 10 0 ACAEHO COC[C@H](C)C[NH2+]C[C@@H](C)CN 308107033 572737247 /nfs/dbraw/zinc/73/72/47/572737247.db2.gz IKCPNFKXVHKLCA-DTWKUNHWSA-N 1 3 174.288 0.453 10 0 ACAEHO CSCC[NH2+][C@H]1CCNC[C@@H]1C 308107833 572737257 /nfs/dbraw/zinc/73/72/57/572737257.db2.gz IPPARVHUVZIPNR-IUCAKERBSA-N 1 3 188.340 0.937 10 0 ACAEHO CCCN[C@H]1COC[C@@H]1C[NH+](C)C 85390225 572737258 /nfs/dbraw/zinc/73/72/58/572737258.db2.gz NADNTAHQYZDPFN-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO CSCCN[C@H]1CC[NH2+]C[C@@H]1C 308107833 572737260 /nfs/dbraw/zinc/73/72/60/572737260.db2.gz IPPARVHUVZIPNR-IUCAKERBSA-N 1 3 188.340 0.937 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH2+]C1CCC1 85387562 572737402 /nfs/dbraw/zinc/73/74/02/572737402.db2.gz KVRHGCFKJZZPJV-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO CCCN[C@H]1COC[C@H]1C[NH2+]C 85390424 572737427 /nfs/dbraw/zinc/73/74/27/572737427.db2.gz NEIXWNVPXJQKEF-BDAKNGLRSA-N 1 3 172.272 0.220 10 0 ACAEHO CCC[NH2+][C@H]1COC[C@H]1CNC 85390424 572737433 /nfs/dbraw/zinc/73/74/33/572737433.db2.gz NEIXWNVPXJQKEF-BDAKNGLRSA-N 1 3 172.272 0.220 10 0 ACAEHO CCCN(C)C[C@@H]1COC[C@@H]1[NH2+]C 85382401 572737453 /nfs/dbraw/zinc/73/74/53/572737453.db2.gz LUOMOEZVBLYQFD-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]CC 85390427 572737461 /nfs/dbraw/zinc/73/74/61/572737461.db2.gz DPVNNEONZGPZDZ-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO CCC[NH2+]C[C@H]1COC[C@H]1NCC 85387351 572737693 /nfs/dbraw/zinc/73/76/93/572737693.db2.gz AAIIGASVRIVVSI-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO CCC[NH2+]C[C@@H]1COC[C@H]1NCC 85387349 572737703 /nfs/dbraw/zinc/73/77/03/572737703.db2.gz AAIIGASVRIVVSI-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCN(CC)C[C@@H]1COC[C@H]1[NH2+]C 85382122 572737728 /nfs/dbraw/zinc/73/77/28/572737728.db2.gz FBNLCYAZGSNEAF-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO CCC[NH2+]C[C@@H]1COC[C@@H]1NCC 85387345 572737798 /nfs/dbraw/zinc/73/77/98/572737798.db2.gz AAIIGASVRIVVSI-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO CN1CCC[C@@]2(CCC[C@H](C[NH3+])O2)C1 686238265 572737813 /nfs/dbraw/zinc/73/78/13/572737813.db2.gz VZSZNUJLPIQADN-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CCN[C@@H]1COC[C@H]1C[NH2+]CC 85387420 572737848 /nfs/dbraw/zinc/73/78/48/572737848.db2.gz DKXJLNUHJRRUKZ-RKDXNWHRSA-N 1 3 172.272 0.220 10 0 ACAEHO CCCN(C)C[C@H]1COC[C@@H]1[NH2+]C 85382402 572737888 /nfs/dbraw/zinc/73/78/88/572737888.db2.gz LUOMOEZVBLYQFD-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO CCN[C@H]1COC[C@H]1C[NH2+]C1CCC1 85387568 572737925 /nfs/dbraw/zinc/73/79/25/572737925.db2.gz KVRHGCFKJZZPJV-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN[C@H]1COC[C@@H]1C[NH2+]CC1CC1 85387426 572738111 /nfs/dbraw/zinc/73/81/11/572738111.db2.gz QURCPTFJKSYEMV-QWRGUYRKSA-N 1 3 198.310 0.611 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH2+]C(C)C 85387361 572738133 /nfs/dbraw/zinc/73/81/33/572738133.db2.gz RIKGQOFWOMBFKX-VHSXEESVSA-N 1 3 186.299 0.609 10 0 ACAEHO CCCN(C)CCNC[C@H]1CCC[NH2+]1 688689110 572738239 /nfs/dbraw/zinc/73/82/39/572738239.db2.gz SNFCGOZARYNANX-LLVKDONJSA-N 1 3 199.342 0.670 10 0 ACAEHO CCN(CC)C[C@H]1COC[C@H]1[NH2+]C 85382125 572738289 /nfs/dbraw/zinc/73/82/89/572738289.db2.gz FBNLCYAZGSNEAF-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO CCN[C@H]1COC[C@H]1C[NH2+]CC 85387416 572738349 /nfs/dbraw/zinc/73/83/49/572738349.db2.gz DKXJLNUHJRRUKZ-BDAKNGLRSA-N 1 3 172.272 0.220 10 0 ACAEHO CCN[C@@H]1COC[C@H]1C[NH2+]C(C)C 85387364 572738365 /nfs/dbraw/zinc/73/83/65/572738365.db2.gz RIKGQOFWOMBFKX-NXEZZACHSA-N 1 3 186.299 0.609 10 0 ACAEHO COC(C[C@H](C[NH3+])NC(C)C)OC 85418558 572738458 /nfs/dbraw/zinc/73/84/58/572738458.db2.gz XEBCOSBSTYVGGJ-MRVPVSSYSA-N 1 3 190.287 0.321 10 0 ACAEHO CCCN[C@H]1COC[C@H]1C[NH2+]CC 85390436 572739495 /nfs/dbraw/zinc/73/94/95/572739495.db2.gz DPVNNEONZGPZDZ-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO CCN(C[C@@]1(C)COC[C@@H]1[NH3+])C1CC1 85395951 572738551 /nfs/dbraw/zinc/73/85/51/572738551.db2.gz RDMDAIAVDDVGAW-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1CC[C@H](N2CCC([NH3+])CC2)C1 234814061 572738571 /nfs/dbraw/zinc/73/85/71/572738571.db2.gz DBXLEFKIHORJHJ-QWRGUYRKSA-N 1 3 198.310 0.977 10 0 ACAEHO CCN[C@H]1COC[C@@H]1C[NH+](C)C 85387161 572738630 /nfs/dbraw/zinc/73/86/30/572738630.db2.gz ZZTROBQNAAXWFF-IUCAKERBSA-N 1 3 172.272 0.173 10 0 ACAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]C 85390414 572738708 /nfs/dbraw/zinc/73/87/08/572738708.db2.gz NEIXWNVPXJQKEF-DTWKUNHWSA-N 1 3 172.272 0.220 10 0 ACAEHO CCC[NH2+][C@@H]1COC[C@@H]1CNC 85390414 572738710 /nfs/dbraw/zinc/73/87/10/572738710.db2.gz NEIXWNVPXJQKEF-DTWKUNHWSA-N 1 3 172.272 0.220 10 0 ACAEHO CCN(C[C@H]1COC[C@@H]1[NH2+]C)C1CC1 85382344 572738730 /nfs/dbraw/zinc/73/87/30/572738730.db2.gz LXIBGPFFTGYTFB-ONGXEEELSA-N 1 3 198.310 0.705 10 0 ACAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]C 85390417 572738783 /nfs/dbraw/zinc/73/87/83/572738783.db2.gz NEIXWNVPXJQKEF-IUCAKERBSA-N 1 3 172.272 0.220 10 0 ACAEHO CCC[NH2+][C@H]1COC[C@@H]1CNC 85390417 572738784 /nfs/dbraw/zinc/73/87/84/572738784.db2.gz NEIXWNVPXJQKEF-IUCAKERBSA-N 1 3 172.272 0.220 10 0 ACAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]C 85390422 572738818 /nfs/dbraw/zinc/73/88/18/572738818.db2.gz NEIXWNVPXJQKEF-RKDXNWHRSA-N 1 3 172.272 0.220 10 0 ACAEHO CCC[NH2+][C@@H]1COC[C@H]1CNC 85390422 572738821 /nfs/dbraw/zinc/73/88/21/572738821.db2.gz NEIXWNVPXJQKEF-RKDXNWHRSA-N 1 3 172.272 0.220 10 0 ACAEHO CC[NH2+][C@@H]1COC[C@@H]1CN1CCCC1 85387070 572738832 /nfs/dbraw/zinc/73/88/32/572738832.db2.gz WLCLJVAJJYWKAE-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CN(C)CCN1CCC[C@](C)(C[NH3+])C1 688701967 572738895 /nfs/dbraw/zinc/73/88/95/572738895.db2.gz GGVLNURSXQJFMU-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO CCN[C@@H]1COC[C@H]1C[NH+](C)C 85387163 572738942 /nfs/dbraw/zinc/73/89/42/572738942.db2.gz ZZTROBQNAAXWFF-RKDXNWHRSA-N 1 3 172.272 0.173 10 0 ACAEHO CCN(C[C@]1(C)COC[C@@H]1[NH3+])C1CC1 85395950 572739104 /nfs/dbraw/zinc/73/91/04/572739104.db2.gz RDMDAIAVDDVGAW-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH+](C)C 85387160 572739465 /nfs/dbraw/zinc/73/94/65/572739465.db2.gz ZZTROBQNAAXWFF-DTWKUNHWSA-N 1 3 172.272 0.173 10 0 ACAEHO CCN[C@H]1COC[C@H]1C[NH2+]CC1CC1 85387430 572739125 /nfs/dbraw/zinc/73/91/25/572739125.db2.gz QURCPTFJKSYEMV-MNOVXSKESA-N 1 3 198.310 0.611 10 0 ACAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]CC 85390430 572739216 /nfs/dbraw/zinc/73/92/16/572739216.db2.gz DPVNNEONZGPZDZ-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCN[C@@H]1COC[C@H]1C[NH2+]CC1CC1 85387428 572739434 /nfs/dbraw/zinc/73/94/34/572739434.db2.gz QURCPTFJKSYEMV-GHMZBOCLSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H]1COCCN1C1CCC([NH3+])CC1 55144353 572739437 /nfs/dbraw/zinc/73/94/37/572739437.db2.gz DBVFQINEVVHWDJ-KPPDAEKUSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1COCCN1C1CCC([NH3+])CC1 55144354 572739462 /nfs/dbraw/zinc/73/94/62/572739462.db2.gz DBVFQINEVVHWDJ-WHXUTIOJSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[NH2+][C@H]1COC[C@H]1CN1CCCC1 85387075 572739477 /nfs/dbraw/zinc/73/94/77/572739477.db2.gz WLCLJVAJJYWKAE-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH2+][C@@H]1C[C@@H]1C 85387569 572739808 /nfs/dbraw/zinc/73/98/08/572739808.db2.gz HLSAXFNGDCEXPT-UKKRHICBSA-N 1 3 198.310 0.609 10 0 ACAEHO CC[NH2+][C@@H]1COC[C@@H]1CN[C@@H]1C[C@@H]1C 85387569 572739810 /nfs/dbraw/zinc/73/98/10/572739810.db2.gz HLSAXFNGDCEXPT-UKKRHICBSA-N 1 3 198.310 0.609 10 0 ACAEHO CCN[C@H]1COC[C@@H]1C[NH2+]C1CCC1 85387564 572739826 /nfs/dbraw/zinc/73/98/26/572739826.db2.gz KVRHGCFKJZZPJV-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO CCCN[C@H]1COC[C@H]1C[NH+](C)C 85390230 572739881 /nfs/dbraw/zinc/73/98/81/572739881.db2.gz NADNTAHQYZDPFN-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO CCN[C@@H]1COC[C@H]1C[NH2+]C1CC1 85387385 572739960 /nfs/dbraw/zinc/73/99/60/572739960.db2.gz QAZMOBWXZPPJIZ-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO CC[NH2+][C@@H]1COC[C@H]1CNC1CC1 85387385 572739964 /nfs/dbraw/zinc/73/99/64/572739964.db2.gz QAZMOBWXZPPJIZ-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO CCN[C@H]1COC[C@H]1C[NH2+]C1CC1 85387387 572740073 /nfs/dbraw/zinc/74/00/73/572740073.db2.gz QAZMOBWXZPPJIZ-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO CC[NH2+][C@H]1COC[C@H]1CNC1CC1 85387387 572740076 /nfs/dbraw/zinc/74/00/76/572740076.db2.gz QAZMOBWXZPPJIZ-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]CC 85390433 572740229 /nfs/dbraw/zinc/74/02/29/572740229.db2.gz DPVNNEONZGPZDZ-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCCN[C@@H]1COC[C@H]1C[NH2+]C1CC1 85390390 572740286 /nfs/dbraw/zinc/74/02/86/572740286.db2.gz ZVAJRYDVUOOEPJ-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO CCC[NH2+][C@@H]1COC[C@H]1CNC1CC1 85390390 572740291 /nfs/dbraw/zinc/74/02/91/572740291.db2.gz ZVAJRYDVUOOEPJ-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN[C@@H]1COC[C@H]1C[NH2+]C1CCC1 85387566 572740673 /nfs/dbraw/zinc/74/06/73/572740673.db2.gz KVRHGCFKJZZPJV-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO CCCN[C@H]1COC[C@@H]1C[NH2+]C1CC1 85390388 572740693 /nfs/dbraw/zinc/74/06/93/572740693.db2.gz ZVAJRYDVUOOEPJ-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO CCC[NH2+][C@H]1COC[C@@H]1CNC1CC1 85390388 572740696 /nfs/dbraw/zinc/74/06/96/572740696.db2.gz ZVAJRYDVUOOEPJ-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN(CC)C[C@@H]1COC[C@@H]1[NH2+]C 85382116 572740718 /nfs/dbraw/zinc/74/07/18/572740718.db2.gz FBNLCYAZGSNEAF-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO CC[NH2+][C@H]1COC[C@@H]1CN1CCCC1 85387072 572740785 /nfs/dbraw/zinc/74/07/85/572740785.db2.gz WLCLJVAJJYWKAE-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CN(C)CCN1CCC[C@@](C)(C[NH3+])C1 688702057 572740862 /nfs/dbraw/zinc/74/08/62/572740862.db2.gz GGVLNURSXQJFMU-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO CCN[C@H]1COC[C@@H]1C[NH2+]C(C)C 85387363 572740868 /nfs/dbraw/zinc/74/08/68/572740868.db2.gz RIKGQOFWOMBFKX-UWVGGRQHSA-N 1 3 186.299 0.609 10 0 ACAEHO CCN(CC)C[C@H]1COC[C@@H]1[NH2+]C 85382119 572740880 /nfs/dbraw/zinc/74/08/80/572740880.db2.gz FBNLCYAZGSNEAF-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO CCCN[C@H]1COC[C@H]1C[NH2+]C1CC1 85390392 572740908 /nfs/dbraw/zinc/74/09/08/572740908.db2.gz ZVAJRYDVUOOEPJ-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO CCC[NH2+][C@H]1COC[C@H]1CNC1CC1 85390392 572740911 /nfs/dbraw/zinc/74/09/11/572740911.db2.gz ZVAJRYDVUOOEPJ-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN[C@H]1COC[C@H]1C[NH2+]C(C)C 85387366 572741015 /nfs/dbraw/zinc/74/10/15/572741015.db2.gz RIKGQOFWOMBFKX-ZJUUUORDSA-N 1 3 186.299 0.609 10 0 ACAEHO CCCN[C@@H]1COC[C@H]1C[NH+](C)C 85390227 572741121 /nfs/dbraw/zinc/74/11/21/572741121.db2.gz NADNTAHQYZDPFN-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO CCN[C@H]1COC[C@H]1C[NH+](C)C 85387165 572741141 /nfs/dbraw/zinc/74/11/41/572741141.db2.gz ZZTROBQNAAXWFF-BDAKNGLRSA-N 1 3 172.272 0.173 10 0 ACAEHO CCN(C[C@@H]1COC[C@@H]1[NH2+]C)C1CC1 85382343 572741323 /nfs/dbraw/zinc/74/13/23/572741323.db2.gz LXIBGPFFTGYTFB-KOLCDFICSA-N 1 3 198.310 0.705 10 0 ACAEHO CCN[C@H]1COC[C@@H]1C[NH2+]C1CC1 85387383 572741373 /nfs/dbraw/zinc/74/13/73/572741373.db2.gz QAZMOBWXZPPJIZ-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO CC[NH2+][C@H]1COC[C@@H]1CNC1CC1 85387383 572741377 /nfs/dbraw/zinc/74/13/77/572741377.db2.gz QAZMOBWXZPPJIZ-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO CCC[NH2+]C[C@H]1COC[C@@H]1NCC 85387347 572741407 /nfs/dbraw/zinc/74/14/07/572741407.db2.gz AAIIGASVRIVVSI-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH2+]CC1CC1 85387424 572741482 /nfs/dbraw/zinc/74/14/82/572741482.db2.gz QURCPTFJKSYEMV-WDEREUQCSA-N 1 3 198.310 0.611 10 0 ACAEHO CCCN[C@@H]1COC[C@@H]1C[NH2+]C1CC1 85390384 572741526 /nfs/dbraw/zinc/74/15/26/572741526.db2.gz ZVAJRYDVUOOEPJ-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO CCC[NH2+][C@@H]1COC[C@@H]1CNC1CC1 85390384 572741529 /nfs/dbraw/zinc/74/15/29/572741529.db2.gz ZVAJRYDVUOOEPJ-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN[C@H]1COC[C@@H]1C[NH2+]CC 85387418 572741556 /nfs/dbraw/zinc/74/15/56/572741556.db2.gz DKXJLNUHJRRUKZ-IUCAKERBSA-N 1 3 172.272 0.220 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)CCN(C)C 87923161 572741849 /nfs/dbraw/zinc/74/18/49/572741849.db2.gz JPOSVQFCDWBSNG-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO CO[C@@H]1CN(C/C=C/C[NH3+])CC[C@H]1C 299904946 572742251 /nfs/dbraw/zinc/74/22/51/572742251.db2.gz FSHMQPOBYMFZBC-YIZUVKHSSA-N 1 3 198.310 0.858 10 0 ACAEHO COC[C@H](C)N(C)[C@@H]1CC[C@@H]1C[NH3+] 87922620 572742381 /nfs/dbraw/zinc/74/23/81/572742381.db2.gz KVQKSLRLDRRBBJ-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO CN(C[C@@H]1CCCO1)[C@@H]1CC[C@@H]1C[NH3+] 87922712 572742487 /nfs/dbraw/zinc/74/24/87/572742487.db2.gz NCFAVADWFQFMIM-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1CN([C@@H]2CC[C@@H]2C[NH3+])CCCO1 87922987 572742937 /nfs/dbraw/zinc/74/29/37/572742937.db2.gz OGKSNFKHSGFXKG-HBNTYKKESA-N 1 3 198.310 0.835 10 0 ACAEHO [NH3+]CCCNCCOCC(F)F 236200318 572743108 /nfs/dbraw/zinc/74/31/08/572743108.db2.gz UNOWAKGUEMAEHX-UHFFFAOYSA-N 1 3 182.214 0.207 10 0 ACAEHO C[C@H]1CC[NH2+]C[C@H]1N(C)CCN(C)C 85439964 572743199 /nfs/dbraw/zinc/74/31/99/572743199.db2.gz YHNRBYRADQTKFA-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@@H]1N(C)CCN(C)C 85439958 572743235 /nfs/dbraw/zinc/74/32/35/572743235.db2.gz YHNRBYRADQTKFA-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO COCCN(C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922729 572743252 /nfs/dbraw/zinc/74/32/52/572743252.db2.gz KAMMCBPRAFGSFU-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C[C@H]1CCCO1)[C@@H]1CC[C@@H]1C[NH3+] 87922713 572743392 /nfs/dbraw/zinc/74/33/92/572743392.db2.gz NCFAVADWFQFMIM-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@H]1N(C)CCN(C)C 85439962 572743563 /nfs/dbraw/zinc/74/35/63/572743563.db2.gz YHNRBYRADQTKFA-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@H]1CN([C@@H]2CC[C@@H]2C[NH3+])CCN1C 87923115 572743897 /nfs/dbraw/zinc/74/38/97/572743897.db2.gz GVNZFKREJGIKPX-HBNTYKKESA-N 1 3 197.326 0.360 10 0 ACAEHO CCN(CCOC)[C@H]1CC[C@@H]1C[NH3+] 87922743 572743904 /nfs/dbraw/zinc/74/39/04/572743904.db2.gz WEKTZCNKWDFCHQ-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(CCCCO)C1 70800194 572744464 /nfs/dbraw/zinc/74/44/64/572744464.db2.gz KQMNUXISLSJAKH-JTQLQIEISA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H]1CC[NH2+]C[C@@H]1N(C)CCN(C)C 85439960 572744795 /nfs/dbraw/zinc/74/47/95/572744795.db2.gz YHNRBYRADQTKFA-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87923164 572745131 /nfs/dbraw/zinc/74/51/31/572745131.db2.gz RAXVVVCDPFVHLV-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO COCCCN(C)[C@H]1CC[C@@H]1C[NH3+] 87923023 572745185 /nfs/dbraw/zinc/74/51/85/572745185.db2.gz QTUNMNCHQYFQGF-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+](C)[C@H]1CC[C@@H]1CN 87923023 572745200 /nfs/dbraw/zinc/74/52/00/572745200.db2.gz QTUNMNCHQYFQGF-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@@H+](C)[C@H]1CC[C@@H]1CN 87923023 572745205 /nfs/dbraw/zinc/74/52/05/572745205.db2.gz QTUNMNCHQYFQGF-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H]1N(C)CCN(C)C 87923162 572747333 /nfs/dbraw/zinc/74/73/33/572747333.db2.gz JPOSVQFCDWBSNG-WDEREUQCSA-N 1 3 199.342 0.478 10 0 ACAEHO COCCN(C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922728 572745614 /nfs/dbraw/zinc/74/56/14/572745614.db2.gz KAMMCBPRAFGSFU-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H]1N(C)CCN(C)C 87923160 572745645 /nfs/dbraw/zinc/74/56/45/572745645.db2.gz JPOSVQFCDWBSNG-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO COCCN(C)[C@H]1CC[C@@H]1C[NH3+] 87922913 572745769 /nfs/dbraw/zinc/74/57/69/572745769.db2.gz RHGULLNIGGAPHI-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO COC[C@@H](C)N(C)[C@@H]1CC[C@@H]1C[NH3+] 87922621 572746036 /nfs/dbraw/zinc/74/60/36/572746036.db2.gz KVQKSLRLDRRBBJ-OPRDCNLKSA-N 1 3 186.299 0.690 10 0 ACAEHO CCSCC[NH2+]C[C@@H](C)CN 307902088 572746194 /nfs/dbraw/zinc/74/61/94/572746194.db2.gz NXIUZVNDEIHKDI-QMMMGPOBSA-N 1 3 176.329 0.924 10 0 ACAEHO CCSCCNC[C@@H](C)C[NH3+] 307902088 572746199 /nfs/dbraw/zinc/74/61/99/572746199.db2.gz NXIUZVNDEIHKDI-QMMMGPOBSA-N 1 3 176.329 0.924 10 0 ACAEHO CCN(CCOC)[C@@H]1CC[C@@H]1C[NH3+] 87922742 572746358 /nfs/dbraw/zinc/74/63/58/572746358.db2.gz WEKTZCNKWDFCHQ-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCC[C@@H]2O)C1 70800036 572746456 /nfs/dbraw/zinc/74/64/56/572746456.db2.gz NSCZCGZJAUXZCB-AXFHLTTASA-N 1 3 198.310 0.441 10 0 ACAEHO CCSCC[NH2+]C[C@H](C)CN 307902087 572746878 /nfs/dbraw/zinc/74/68/78/572746878.db2.gz NXIUZVNDEIHKDI-MRVPVSSYSA-N 1 3 176.329 0.924 10 0 ACAEHO CCSCCNC[C@H](C)C[NH3+] 307902087 572746884 /nfs/dbraw/zinc/74/68/84/572746884.db2.gz NXIUZVNDEIHKDI-MRVPVSSYSA-N 1 3 176.329 0.924 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@H]1N(C)CCN(C)C 87923163 572747276 /nfs/dbraw/zinc/74/72/76/572747276.db2.gz JPOSVQFCDWBSNG-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO CN(C)CCN(C)[C@H]1CC[C@@H]1C[NH3+] 87923165 572747984 /nfs/dbraw/zinc/74/79/84/572747984.db2.gz RAXVVVCDPFVHLV-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO COCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87922912 572748112 /nfs/dbraw/zinc/74/81/12/572748112.db2.gz RHGULLNIGGAPHI-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO NCCC[NH2+]CC[C@H]1CCOC1 236200940 572748126 /nfs/dbraw/zinc/74/81/26/572748126.db2.gz MDILIZZYRJFSIV-VIFPVBQESA-N 1 3 172.272 0.351 10 0 ACAEHO COCCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87923022 572748150 /nfs/dbraw/zinc/74/81/50/572748150.db2.gz QTUNMNCHQYFQGF-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@H+](C)[C@@H]1CC[C@@H]1CN 87923022 572748155 /nfs/dbraw/zinc/74/81/55/572748155.db2.gz QTUNMNCHQYFQGF-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO COCCC[N@@H+](C)[C@@H]1CC[C@@H]1CN 87923022 572748159 /nfs/dbraw/zinc/74/81/59/572748159.db2.gz QTUNMNCHQYFQGF-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CN(C)CCSCC1C[NH2+]C1 85443756 572748636 /nfs/dbraw/zinc/74/86/36/572748636.db2.gz RTVPUDGGFMJQQX-UHFFFAOYSA-N 1 3 174.313 0.501 10 0 ACAEHO C[N@@H+]1CCCC[C@H]1CC[C@@H](N)C(N)=O 234371318 572748763 /nfs/dbraw/zinc/74/87/63/572748763.db2.gz RAKWBWXLZHPNDM-DTWKUNHWSA-N 1 3 199.298 0.064 10 0 ACAEHO C[N@H+]1CCCC[C@H]1CC[C@@H](N)C(N)=O 234371318 572748768 /nfs/dbraw/zinc/74/87/68/572748768.db2.gz RAKWBWXLZHPNDM-DTWKUNHWSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@@H]1SCC[C@@]1(C[NH3+])NC1CC1 235337227 572748859 /nfs/dbraw/zinc/74/88/59/572748859.db2.gz URLVDLJJTQORTK-CBAPKCEASA-N 1 3 186.324 0.961 10 0 ACAEHO C[C@@H]1CN(C2(C[NH3+])CC2)C[C@@H](C)N1C 235330612 572748928 /nfs/dbraw/zinc/74/89/28/572748928.db2.gz TTYJCBSQGUYFDS-NXEZZACHSA-N 1 3 197.326 0.502 10 0 ACAEHO COC[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923334 572750270 /nfs/dbraw/zinc/75/02/70/572750270.db2.gz UHZAMIDAPUPFMY-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923334 572750274 /nfs/dbraw/zinc/75/02/74/572750274.db2.gz UHZAMIDAPUPFMY-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@H]1CC[N@@H+]([C@@H]2CC[C@@H]2CN)C1 87923335 572750674 /nfs/dbraw/zinc/75/06/74/572750674.db2.gz UHZAMIDAPUPFMY-HBNTYKKESA-N 1 3 198.310 0.692 10 0 ACAEHO COC[C@H]1CC[N@H+]([C@@H]2CC[C@@H]2CN)C1 87923335 572750676 /nfs/dbraw/zinc/75/06/76/572750676.db2.gz UHZAMIDAPUPFMY-HBNTYKKESA-N 1 3 198.310 0.692 10 0 ACAEHO CO[C@@H]1C[C@@H](NC2CC([NH3+])C2)C1(C)C 234826371 572755061 /nfs/dbraw/zinc/75/50/61/572755061.db2.gz SFVZBJGJADAZMN-YDYPAMBWSA-N 1 3 198.310 0.879 10 0 ACAEHO CO[C@@H]1C[C@@H]([NH2+]C2CC(N)C2)C1(C)C 234826371 572755065 /nfs/dbraw/zinc/75/50/65/572755065.db2.gz SFVZBJGJADAZMN-YDYPAMBWSA-N 1 3 198.310 0.879 10 0 ACAEHO CCOC[C@H](NCC[NH3+])C(C)C 308114703 572755260 /nfs/dbraw/zinc/75/52/60/572755260.db2.gz LUWYSBPQHTXNCD-VIFPVBQESA-N 1 3 174.288 0.596 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)[C@H]1C[NH3+] 299905557 572756065 /nfs/dbraw/zinc/75/60/65/572756065.db2.gz DJKWNMLTTQHXJW-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO CC(C)(O)CC[NH2+]C1CC(N)C1 308113869 572756155 /nfs/dbraw/zinc/75/61/55/572756155.db2.gz LLEXXXCPLUMPMT-UHFFFAOYSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)N(C)C[C@@H](C)[NH2+]CCN 308115372 572756684 /nfs/dbraw/zinc/75/66/84/572756684.db2.gz MGHRXOLULUBRRR-SECBINFHSA-N 1 3 173.304 0.263 10 0 ACAEHO CC(C)[C@H](CN(C)C)[NH2+]CCN 308113859 572756795 /nfs/dbraw/zinc/75/67/95/572756795.db2.gz LKOSAUBJHQLTNZ-VIFPVBQESA-N 1 3 173.304 0.121 10 0 ACAEHO CCOC[C@@H](NCC[NH3+])C(C)C 308114702 572756825 /nfs/dbraw/zinc/75/68/25/572756825.db2.gz LUWYSBPQHTXNCD-SECBINFHSA-N 1 3 174.288 0.596 10 0 ACAEHO CC(C)N(C)C[C@H](C)[NH2+]CCN 308115374 572757492 /nfs/dbraw/zinc/75/74/92/572757492.db2.gz MGHRXOLULUBRRR-VIFPVBQESA-N 1 3 173.304 0.263 10 0 ACAEHO [NH3+]CCCN[C@H]1CCO[C@H]1C1CC1 236213274 572757687 /nfs/dbraw/zinc/75/76/87/572757687.db2.gz QIPMXPIMNSAEBL-UWVGGRQHSA-N 1 3 184.283 0.492 10 0 ACAEHO NCCC[NH2+][C@H]1CCO[C@H]1C1CC1 236213274 572757692 /nfs/dbraw/zinc/75/76/92/572757692.db2.gz QIPMXPIMNSAEBL-UWVGGRQHSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+]CC1(NCCCCO)CCC1 236209356 572757711 /nfs/dbraw/zinc/75/77/11/572757711.db2.gz AOLMJJFDKKGKJO-UHFFFAOYSA-N 1 3 172.272 0.230 10 0 ACAEHO CC(C)[C@@H](CN(C)C)[NH2+]CCN 308113858 572757716 /nfs/dbraw/zinc/75/77/16/572757716.db2.gz LKOSAUBJHQLTNZ-SECBINFHSA-N 1 3 173.304 0.121 10 0 ACAEHO [NH3+]CCCN[C@@H]1CCO[C@@H]1C1CC1 236212024 572758458 /nfs/dbraw/zinc/75/84/58/572758458.db2.gz QIPMXPIMNSAEBL-NXEZZACHSA-N 1 3 184.283 0.492 10 0 ACAEHO NCCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 236212024 572758460 /nfs/dbraw/zinc/75/84/60/572758460.db2.gz QIPMXPIMNSAEBL-NXEZZACHSA-N 1 3 184.283 0.492 10 0 ACAEHO C[NH2+]CCCCN1C[C@@H]2CC[C@H](C1)O2 85541505 572759446 /nfs/dbraw/zinc/75/94/46/572759446.db2.gz BKKRNRZYUNXCCY-PHIMTYICSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C1CNC1 686237668 572759589 /nfs/dbraw/zinc/75/95/89/572759589.db2.gz LLXNZHNONNCYBC-QXEWZRGKSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H](N[C@@H](C)[C@@H]1CCCO1)C1C[NH2+]C1 686237668 572759585 /nfs/dbraw/zinc/75/95/85/572759585.db2.gz LLXNZHNONNCYBC-QXEWZRGKSA-N 1 3 198.310 0.751 10 0 ACAEHO CN1CC[C@@]2(CC[C@@](C)(C[NH3+])O2)C1 686236622 572759608 /nfs/dbraw/zinc/75/96/08/572759608.db2.gz ZEIHFQYHRAVKBW-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCO 236212792 572759627 /nfs/dbraw/zinc/75/96/27/572759627.db2.gz JPPACGBRTGCVHE-ZJUUUORDSA-N 1 3 186.299 0.476 10 0 ACAEHO [NH3+]CC1(CNCCOCC2CC2)CC1 236209788 572759738 /nfs/dbraw/zinc/75/97/38/572759738.db2.gz KPQSPPYNLSIIDT-UHFFFAOYSA-N 1 3 198.310 0.742 10 0 ACAEHO NCC1(C[NH2+]CCOCC2CC2)CC1 236209788 572759745 /nfs/dbraw/zinc/75/97/45/572759745.db2.gz KPQSPPYNLSIIDT-UHFFFAOYSA-N 1 3 198.310 0.742 10 0 ACAEHO CN1CC[C@]2(CC[C@@](C)(C[NH3+])O2)C1 686236625 572759986 /nfs/dbraw/zinc/75/99/86/572759986.db2.gz ZEIHFQYHRAVKBW-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H](CCC[NH3+])N1C[C@@H]2CC[C@H](C1)O2 85541659 572760116 /nfs/dbraw/zinc/76/01/16/572760116.db2.gz SQSQPVFKVRZEMX-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO CN1CC[C@@]2(CC[C@](C)(C[NH3+])O2)C1 686236626 572760945 /nfs/dbraw/zinc/76/09/45/572760945.db2.gz ZEIHFQYHRAVKBW-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+]C1CC(NCCCCCCO)C1 236215546 572761467 /nfs/dbraw/zinc/76/14/67/572761467.db2.gz AUNMNXAFAUZTRD-UHFFFAOYSA-N 1 3 186.299 0.618 10 0 ACAEHO CS[C@@H](C)C[NH2+]C[C@@H](C)CN 307913189 572761455 /nfs/dbraw/zinc/76/14/55/572761455.db2.gz YTWJRFPOLRBSDW-YUMQZZPRSA-N 1 3 176.329 0.922 10 0 ACAEHO NC1CC([NH2+]CCCCCCO)C1 236215546 572761464 /nfs/dbraw/zinc/76/14/64/572761464.db2.gz AUNMNXAFAUZTRD-UHFFFAOYSA-N 1 3 186.299 0.618 10 0 ACAEHO C[C@H](CCC[NH3+])NC1COC1 307912691 572761510 /nfs/dbraw/zinc/76/15/10/572761510.db2.gz XZRWQXRPPIAWAD-SSDOTTSWSA-N 1 3 158.245 0.102 10 0 ACAEHO [NH3+]C1CC(NCCOCC(F)F)C1 236215783 572761648 /nfs/dbraw/zinc/76/16/48/572761648.db2.gz ZNURQTRNUWNBKP-UHFFFAOYSA-N 1 3 194.225 0.347 10 0 ACAEHO CCCN[C@]1(C[NH3+])CCOC1 70970933 572761786 /nfs/dbraw/zinc/76/17/86/572761786.db2.gz UAPFTDAYEQNJKV-QMMMGPOBSA-N 1 3 158.245 0.104 10 0 ACAEHO COC[C@H](C)N1CC[C@H](C)[C@H]1C[NH3+] 299908474 572761972 /nfs/dbraw/zinc/76/19/72/572761972.db2.gz ITWZVOPMGJTEGS-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]([NH3+])CCCN1C[C@@H]2CC[C@H](C1)O2 85540274 572762050 /nfs/dbraw/zinc/76/20/50/572762050.db2.gz ZBGPONLALWCNDV-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO CCOCCCN[C@H](C)[C@@H](C)[NH3+] 308121161 572762156 /nfs/dbraw/zinc/76/21/56/572762156.db2.gz QAUIYESWQVQJJW-RKDXNWHRSA-N 1 3 174.288 0.738 10 0 ACAEHO CCOCCCN[C@@H](C)[C@@H](C)[NH3+] 308121158 572762218 /nfs/dbraw/zinc/76/22/18/572762218.db2.gz QAUIYESWQVQJJW-BDAKNGLRSA-N 1 3 174.288 0.738 10 0 ACAEHO CS[C@H](C)C[NH2+]C[C@H](C)CN 307913186 572762298 /nfs/dbraw/zinc/76/22/98/572762298.db2.gz YTWJRFPOLRBSDW-HTQZYQBOSA-N 1 3 176.329 0.922 10 0 ACAEHO C[C@@H](CCC[NH3+])NC1COC1 307912693 572762501 /nfs/dbraw/zinc/76/25/01/572762501.db2.gz XZRWQXRPPIAWAD-ZETCQYMHSA-N 1 3 158.245 0.102 10 0 ACAEHO C[NH2+][C@@H](C)CNCCCCF 307913495 572762844 /nfs/dbraw/zinc/76/28/44/572762844.db2.gz ZGPJGBVYHRWZDT-QMMMGPOBSA-N 1 3 162.252 0.934 10 0 ACAEHO [NH3+]CCNC[C@@H]1Cc2ccccc21 85574115 572762900 /nfs/dbraw/zinc/76/29/00/572762900.db2.gz KENPQXATABWAPT-JTQLQIEISA-N 1 3 176.263 0.875 10 0 ACAEHO COCCN[C@H]1C[C@@H]([NH3+])C12CCC2 405447545 572762938 /nfs/dbraw/zinc/76/29/38/572762938.db2.gz WYGSFZRAWWYPEC-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO CS[C@@H](C)C[NH2+]C[C@H](C)CN 307913188 572762940 /nfs/dbraw/zinc/76/29/40/572762940.db2.gz YTWJRFPOLRBSDW-SFYZADRCSA-N 1 3 176.329 0.922 10 0 ACAEHO COCC[NH2+][C@H]1C[C@@H](N)C12CCC2 405447545 572762941 /nfs/dbraw/zinc/76/29/41/572762941.db2.gz WYGSFZRAWWYPEC-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO C[N@@H+]1CC[C@@H](CN[C@@H]2CCOC2)C1 70967453 572763704 /nfs/dbraw/zinc/76/37/04/572763704.db2.gz YEOWLSZFYVWDLY-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO CCN(C)CC[NH2+][C@H](C)[C@H](C)N 308121104 572763018 /nfs/dbraw/zinc/76/30/18/572763018.db2.gz PWTTUAGARGGYOE-DTWKUNHWSA-N 1 3 173.304 0.263 10 0 ACAEHO COC[C@H](C)N1CC[C@@H](C)[C@H]1C[NH3+] 299908473 572763024 /nfs/dbraw/zinc/76/30/24/572763024.db2.gz ITWZVOPMGJTEGS-KXUCPTDWSA-N 1 3 186.299 0.690 10 0 ACAEHO C[N@H+]1CC[C@@H](CN[C@@H]2CCOC2)C1 70967453 572763707 /nfs/dbraw/zinc/76/37/07/572763707.db2.gz YEOWLSZFYVWDLY-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO CCN(C)CC[NH2+][C@@H](C)[C@@H](C)N 308121103 572763247 /nfs/dbraw/zinc/76/32/47/572763247.db2.gz PWTTUAGARGGYOE-BDAKNGLRSA-N 1 3 173.304 0.263 10 0 ACAEHO CNCCC[NH2+]CCCCF 307913508 572763312 /nfs/dbraw/zinc/76/33/12/572763312.db2.gz ZHCBDJXDVADCRB-UHFFFAOYSA-N 1 3 162.252 0.935 10 0 ACAEHO [NH3+]CCNC[C@H]1Cc2ccccc21 85574109 572763352 /nfs/dbraw/zinc/76/33/52/572763352.db2.gz KENPQXATABWAPT-SNVBAGLBSA-N 1 3 176.263 0.875 10 0 ACAEHO CCCN[C@@]1(C[NH3+])CCOC1 70970935 572763375 /nfs/dbraw/zinc/76/33/75/572763375.db2.gz UAPFTDAYEQNJKV-MRVPVSSYSA-N 1 3 158.245 0.104 10 0 ACAEHO [NH3+]CCCCCN1C[C@@H]2CC[C@H](C1)O2 85539836 572763436 /nfs/dbraw/zinc/76/34/36/572763436.db2.gz FPYYUWDSLKUDKE-PHIMTYICSA-N 1 3 198.310 0.979 10 0 ACAEHO CS[C@H](C)C[NH2+]C[C@@H](C)CN 307913187 572763513 /nfs/dbraw/zinc/76/35/13/572763513.db2.gz YTWJRFPOLRBSDW-JGVFFNPUSA-N 1 3 176.329 0.922 10 0 ACAEHO CCOCCCN[C@H](C)[C@H](C)[NH3+] 308121159 572763583 /nfs/dbraw/zinc/76/35/83/572763583.db2.gz QAUIYESWQVQJJW-DTWKUNHWSA-N 1 3 174.288 0.738 10 0 ACAEHO CC(C)[C@H](C[NH2+]CCN)N(C)C 308121077 572763662 /nfs/dbraw/zinc/76/36/62/572763662.db2.gz PUKDJGJPRDXMCI-VIFPVBQESA-N 1 3 173.304 0.121 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCO 236216706 572763749 /nfs/dbraw/zinc/76/37/49/572763749.db2.gz JPPACGBRTGCVHE-VHSXEESVSA-N 1 3 186.299 0.476 10 0 ACAEHO C[N@@H+]1CC[C@H](CN[C@@H]2CCOC2)C1 70967449 572763852 /nfs/dbraw/zinc/76/38/52/572763852.db2.gz YEOWLSZFYVWDLY-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@H](CN[C@@H]2CCOC2)C1 70967449 572763856 /nfs/dbraw/zinc/76/38/56/572763856.db2.gz YEOWLSZFYVWDLY-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO Cc1cn[nH]c1CNCCC[NH3+] 308121529 572764030 /nfs/dbraw/zinc/76/40/30/572764030.db2.gz QKQKETZDPXPMJD-UHFFFAOYSA-N 1 3 168.244 0.157 10 0 ACAEHO CCN1CCN(CC[NH2+]C)[C@@H](C)C1 250258011 572764113 /nfs/dbraw/zinc/76/41/13/572764113.db2.gz JHHPZTGCORMEFA-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@H]([NH3+])CCCN1C[C@@H]2CC[C@H](C1)O2 85540270 572764315 /nfs/dbraw/zinc/76/43/15/572764315.db2.gz ZBGPONLALWCNDV-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CCOCCCN[C@@H](C)[C@H](C)[NH3+] 308121160 572764363 /nfs/dbraw/zinc/76/43/63/572764363.db2.gz QAUIYESWQVQJJW-IUCAKERBSA-N 1 3 174.288 0.738 10 0 ACAEHO CC(C)OCC[NH2+]CC(C)(C)N 308121377 572764432 /nfs/dbraw/zinc/76/44/32/572764432.db2.gz QGTALLHCKUBGOB-UHFFFAOYSA-N 1 3 174.288 0.738 10 0 ACAEHO CCN(C)CC[NH2+][C@H](C)[C@@H](C)N 308121106 572764465 /nfs/dbraw/zinc/76/44/65/572764465.db2.gz PWTTUAGARGGYOE-RKDXNWHRSA-N 1 3 173.304 0.263 10 0 ACAEHO CC(C)[C@@H](C[NH2+]CCN)N(C)C 308121076 572764752 /nfs/dbraw/zinc/76/47/52/572764752.db2.gz PUKDJGJPRDXMCI-SECBINFHSA-N 1 3 173.304 0.121 10 0 ACAEHO CCN(C)CC[NH2+][C@@H](C)[C@H](C)N 308121105 572764858 /nfs/dbraw/zinc/76/48/58/572764858.db2.gz PWTTUAGARGGYOE-IUCAKERBSA-N 1 3 173.304 0.263 10 0 ACAEHO CC1(OCCN2CCC2)C[NH2+]C1 308122821 572765357 /nfs/dbraw/zinc/76/53/57/572765357.db2.gz RSBVRVCDRWHOHN-UHFFFAOYSA-N 1 3 170.256 0.071 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCC[S@](C)=O 308121971 572765817 /nfs/dbraw/zinc/76/58/17/572765817.db2.gz QXNXCMUZWXENII-SXMVTHIZSA-N 1 3 192.328 0.080 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCC[S@@](C)=O 308121970 572766162 /nfs/dbraw/zinc/76/61/62/572766162.db2.gz QXNXCMUZWXENII-JOAULVNJSA-N 1 3 192.328 0.080 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCC[S@@](C)=O 308121973 572767056 /nfs/dbraw/zinc/76/70/56/572767056.db2.gz QXNXCMUZWXENII-YVZVNANGSA-N 1 3 192.328 0.080 10 0 ACAEHO [NH3+]CCNC1(CO)CCCCC1 308121738 572768125 /nfs/dbraw/zinc/76/81/25/572768125.db2.gz QSKDBOOKDRPFIH-UHFFFAOYSA-N 1 3 172.272 0.230 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCC[S@](C)=O 308121972 572768242 /nfs/dbraw/zinc/76/82/42/572768242.db2.gz QXNXCMUZWXENII-UBJUHAIHSA-N 1 3 192.328 0.080 10 0 ACAEHO C[C@H](NCC(C)(C)[NH3+])[C@@H](C)CO 308123497 572768708 /nfs/dbraw/zinc/76/87/08/572768708.db2.gz SOLXJFXJIGOPMH-YUMQZZPRSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@H](C)CN)[C@H]1CO 299909812 572769037 /nfs/dbraw/zinc/76/90/37/572769037.db2.gz KXDUHVBOXNPGBE-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@H](C)CN)[C@H]1CO 299909812 572769043 /nfs/dbraw/zinc/76/90/43/572769043.db2.gz KXDUHVBOXNPGBE-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO COCC(C)(C)NC[C@@H](C)C[NH3+] 308123486 572769376 /nfs/dbraw/zinc/76/93/76/572769376.db2.gz SOCKDUGAQZELRF-QMMMGPOBSA-N 1 3 174.288 0.596 10 0 ACAEHO COCC(C)(C)[NH2+]C[C@@H](C)CN 308123486 572769379 /nfs/dbraw/zinc/76/93/79/572769379.db2.gz SOCKDUGAQZELRF-QMMMGPOBSA-N 1 3 174.288 0.596 10 0 ACAEHO COCC(C)(C)NC[C@H](C)C[NH3+] 308123485 572769203 /nfs/dbraw/zinc/76/92/03/572769203.db2.gz SOCKDUGAQZELRF-MRVPVSSYSA-N 1 3 174.288 0.596 10 0 ACAEHO COCC(C)(C)[NH2+]C[C@H](C)CN 308123485 572769208 /nfs/dbraw/zinc/76/92/08/572769208.db2.gz SOCKDUGAQZELRF-MRVPVSSYSA-N 1 3 174.288 0.596 10 0 ACAEHO C[C@H]([NH3+])C(C)(C)CN(C)CCO 85678821 572770311 /nfs/dbraw/zinc/77/03/11/572770311.db2.gz DVXRJCHIDPWASH-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO COCCN(C)CC(C)(C)[C@@H](C)[NH3+] 85679287 572770339 /nfs/dbraw/zinc/77/03/39/572770339.db2.gz VVUCVTUGGMPQKU-SECBINFHSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@@H](O)CN(C)CC(C)(C)[C@@H](C)[NH3+] 85679419 572770556 /nfs/dbraw/zinc/77/05/56/572770556.db2.gz DVRYMWZOXJKHEC-RKDXNWHRSA-N 1 3 188.315 0.672 10 0 ACAEHO COCCN(C)CC(C)(C)[C@H](C)[NH3+] 85679286 572770577 /nfs/dbraw/zinc/77/05/77/572770577.db2.gz VVUCVTUGGMPQKU-VIFPVBQESA-N 1 3 188.315 0.938 10 0 ACAEHO CC[C@H](CO)[NH2+][C@H]1CCNC[C@@H]1C 308125869 572770674 /nfs/dbraw/zinc/77/06/74/572770674.db2.gz CYKSADXEOYZHKE-AEJSXWLSSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](CO)N[C@H]1CC[NH2+]C[C@@H]1C 308125869 572770676 /nfs/dbraw/zinc/77/06/76/572770676.db2.gz CYKSADXEOYZHKE-AEJSXWLSSA-N 1 3 186.299 0.345 10 0 ACAEHO COCC[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 308126085 572770768 /nfs/dbraw/zinc/77/07/68/572770768.db2.gz AYJRYNKNKINIST-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO COCC[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 308126085 572770772 /nfs/dbraw/zinc/77/07/72/572770772.db2.gz AYJRYNKNKINIST-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO COCCN1C[C@@H](C)[C@@](C)(C[NH3+])C1 308126085 572770774 /nfs/dbraw/zinc/77/07/74/572770774.db2.gz AYJRYNKNKINIST-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO CCn1ccc(CNCCC[NH3+])c1 85605705 572770847 /nfs/dbraw/zinc/77/08/47/572770847.db2.gz DNBIOTSVIQIIJV-UHFFFAOYSA-N 1 3 181.283 0.946 10 0 ACAEHO CC[C@H](CO)[NH2+][C@H]1CCNC[C@H]1C 308125875 572770864 /nfs/dbraw/zinc/77/08/64/572770864.db2.gz CYKSADXEOYZHKE-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](CO)N[C@H]1CC[NH2+]C[C@H]1C 308125875 572770866 /nfs/dbraw/zinc/77/08/66/572770866.db2.gz CYKSADXEOYZHKE-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CN(C)CC(C)(C)[C@@H](C)[NH3+] 85679417 572770938 /nfs/dbraw/zinc/77/09/38/572770938.db2.gz DVRYMWZOXJKHEC-DTWKUNHWSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@@H](C)[C@H]1CO 299909811 572771011 /nfs/dbraw/zinc/77/10/11/572771011.db2.gz KXDUHVBOXNPGBE-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@@H](C)[C@H]1CO 299909811 572771019 /nfs/dbraw/zinc/77/10/19/572771019.db2.gz KXDUHVBOXNPGBE-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1C[C@@H](CN)C[C@H]1C 308125464 572771149 /nfs/dbraw/zinc/77/11/49/572771149.db2.gz ASXITOKOGLYSRB-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](O)C[N@H+]1C[C@@H](CN)C[C@H]1C 308125464 572771155 /nfs/dbraw/zinc/77/11/55/572771155.db2.gz ASXITOKOGLYSRB-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@H](CO)[NH2+][C@@H]1CCNC[C@H]1C 308125883 572771096 /nfs/dbraw/zinc/77/10/96/572771096.db2.gz CYKSADXEOYZHKE-OPRDCNLKSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](CO)N[C@@H]1CC[NH2+]C[C@H]1C 308125883 572771101 /nfs/dbraw/zinc/77/11/01/572771101.db2.gz CYKSADXEOYZHKE-OPRDCNLKSA-N 1 3 186.299 0.345 10 0 ACAEHO CCN(CCO)CC(C)(C)[C@@H](C)[NH3+] 85678806 572772030 /nfs/dbraw/zinc/77/20/30/572772030.db2.gz RVJFSBZKGASJKJ-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[S@@](=O)CC[NH2+]CC(C)(C)N 308125892 572772256 /nfs/dbraw/zinc/77/22/56/572772256.db2.gz VKKMDVFLUDFCRB-GFCCVEGCSA-N 1 3 192.328 0.082 10 0 ACAEHO CCN(CCO)CC(C)(C)[C@H](C)[NH3+] 85678807 572772283 /nfs/dbraw/zinc/77/22/83/572772283.db2.gz RVJFSBZKGASJKJ-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO COCC[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 308126081 572772290 /nfs/dbraw/zinc/77/22/90/572772290.db2.gz AYJRYNKNKINIST-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO COCC[N@H+]1C[C@@H](C)[C@](C)(CN)C1 308126081 572772294 /nfs/dbraw/zinc/77/22/94/572772294.db2.gz AYJRYNKNKINIST-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO COCCN1C[C@@H](C)[C@](C)(C[NH3+])C1 308126081 572772297 /nfs/dbraw/zinc/77/22/97/572772297.db2.gz AYJRYNKNKINIST-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H]([NH3+])C(C)(C)CN(C)CCO 85678824 572772304 /nfs/dbraw/zinc/77/23/04/572772304.db2.gz DVXRJCHIDPWASH-MRVPVSSYSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCCCCO 308125334 572772450 /nfs/dbraw/zinc/77/24/50/572772450.db2.gz VBPBJRSKKLGJID-VIFPVBQESA-N 1 3 174.288 0.333 10 0 ACAEHO CC[C@H](CO)[NH2+][C@@H]1CCNC[C@@H]1C 308125879 572772620 /nfs/dbraw/zinc/77/26/20/572772620.db2.gz CYKSADXEOYZHKE-IVZWLZJFSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](CO)N[C@@H]1CC[NH2+]C[C@@H]1C 308125879 572772624 /nfs/dbraw/zinc/77/26/24/572772624.db2.gz CYKSADXEOYZHKE-IVZWLZJFSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@H](C)CN)[C@@H]1CO 299909810 572772641 /nfs/dbraw/zinc/77/26/41/572772641.db2.gz KXDUHVBOXNPGBE-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@H](C)CN)[C@@H]1CO 299909810 572772645 /nfs/dbraw/zinc/77/26/45/572772645.db2.gz KXDUHVBOXNPGBE-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO COCC[N@@H+]1C[C@H](C)[C@](C)(CN)C1 308126084 572772685 /nfs/dbraw/zinc/77/26/85/572772685.db2.gz AYJRYNKNKINIST-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO COCC[N@H+]1C[C@H](C)[C@](C)(CN)C1 308126084 572772689 /nfs/dbraw/zinc/77/26/89/572772689.db2.gz AYJRYNKNKINIST-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO COCCN1C[C@H](C)[C@](C)(C[NH3+])C1 308126084 572772693 /nfs/dbraw/zinc/77/26/93/572772693.db2.gz AYJRYNKNKINIST-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO Cn1ccc(CNCCC[NH3+])c1 85590835 572772820 /nfs/dbraw/zinc/77/28/20/572772820.db2.gz ZKSNIMMGNPFFOZ-UHFFFAOYSA-N 1 3 167.256 0.464 10 0 ACAEHO CC[NH2+]C[C@H]1C[C@@H]1C1CN(C)C1 307931031 572772917 /nfs/dbraw/zinc/77/29/17/572772917.db2.gz CFCKJDAEOFFDQQ-SCZZXKLOSA-N 1 3 168.284 0.794 10 0 ACAEHO CC[NH2+]C[C@@H]1C[C@H]1C1CN(C)C1 307931032 572772926 /nfs/dbraw/zinc/77/29/26/572772926.db2.gz CFCKJDAEOFFDQQ-WCBMZHEXSA-N 1 3 168.284 0.794 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1C[C@H](CN)C[C@H]1C 308125463 572773143 /nfs/dbraw/zinc/77/31/43/572773143.db2.gz ASXITOKOGLYSRB-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](O)C[N@H+]1C[C@H](CN)C[C@H]1C 308125463 572773148 /nfs/dbraw/zinc/77/31/48/572773148.db2.gz ASXITOKOGLYSRB-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO COCC[N@@H+]1C[C@H](C)[C@@](C)(CN)C1 308126083 572773241 /nfs/dbraw/zinc/77/32/41/572773241.db2.gz AYJRYNKNKINIST-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO COCC[N@H+]1C[C@H](C)[C@@](C)(CN)C1 308126083 572773243 /nfs/dbraw/zinc/77/32/43/572773243.db2.gz AYJRYNKNKINIST-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO COCCN1C[C@H](C)[C@@](C)(C[NH3+])C1 308126083 572773247 /nfs/dbraw/zinc/77/32/47/572773247.db2.gz AYJRYNKNKINIST-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO CC[NH2+]C[C@H]1C[C@H]1C1CN(C)C1 307931030 572773346 /nfs/dbraw/zinc/77/33/46/572773346.db2.gz CFCKJDAEOFFDQQ-PSASIEDQSA-N 1 3 168.284 0.794 10 0 ACAEHO CC[NH2+]C[C@@H]1C[C@@H]1C1CN(C)C1 307931033 572773396 /nfs/dbraw/zinc/77/33/96/572773396.db2.gz CFCKJDAEOFFDQQ-WPRPVWTQSA-N 1 3 168.284 0.794 10 0 ACAEHO CCCn1cccc1C[NH2+]CCN 85608934 572773447 /nfs/dbraw/zinc/77/34/47/572773447.db2.gz RIUPWCAIZSNTDV-UHFFFAOYSA-N 1 3 181.283 0.946 10 0 ACAEHO C1CC([NH2+]CC[C@@H]2CNCCO2)C1 85621433 572773485 /nfs/dbraw/zinc/77/34/85/572773485.db2.gz MXBOFXUUBADLIQ-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO CC(C)C[NH2+]CC[C@H]1CNCCO1 85621118 572773586 /nfs/dbraw/zinc/77/35/86/572773586.db2.gz MNPNSOHCVXARGB-JTQLQIEISA-N 1 3 186.299 0.611 10 0 ACAEHO C1CO[C@@H](CC[NH2+]CCC2CC2)CN1 85621695 572773622 /nfs/dbraw/zinc/77/36/22/572773622.db2.gz VBMLQLWFLMGZRH-NSHDSACASA-N 1 3 198.310 0.755 10 0 ACAEHO CCCN(C)CCN[C@H]1CC[C@@H]([NH3+])C1 688689556 572773694 /nfs/dbraw/zinc/77/36/94/572773694.db2.gz UIEZQCIEZQBALK-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO CC[N@H+](CC[C@H]1CNCCO1)C1CC1 85620772 572773732 /nfs/dbraw/zinc/77/37/32/572773732.db2.gz GDCRDHGZICNVKJ-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CC[N@@H+](CC[C@H]1CNCCO1)C1CC1 85620772 572773735 /nfs/dbraw/zinc/77/37/35/572773735.db2.gz GDCRDHGZICNVKJ-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CCCN(C)CCN[C@H]1CC[C@H]([NH3+])C1 688689557 572773793 /nfs/dbraw/zinc/77/37/93/572773793.db2.gz UIEZQCIEZQBALK-QWRGUYRKSA-N 1 3 199.342 0.798 10 0 ACAEHO CC(C)[NH2+]CC[C@H]1CNCCO1 85621083 572773807 /nfs/dbraw/zinc/77/38/07/572773807.db2.gz QQJVVLQLWZUHIT-VIFPVBQESA-N 1 3 172.272 0.363 10 0 ACAEHO C[NH2+]C(C)(C)CN[C@H](C)CCOC 308126917 572773813 /nfs/dbraw/zinc/77/38/13/572773813.db2.gz DXSUYJPQNJHMHP-SECBINFHSA-N 1 3 188.315 0.999 10 0 ACAEHO CCCN(C)CCN[C@@H]1CC[C@H]([NH3+])C1 688689558 572773921 /nfs/dbraw/zinc/77/39/21/572773921.db2.gz UIEZQCIEZQBALK-WDEREUQCSA-N 1 3 199.342 0.798 10 0 ACAEHO CCC[N@H+](C)CC[C@@H]1CNCCO1 85620830 572774037 /nfs/dbraw/zinc/77/40/37/572774037.db2.gz QQBGAWGJRUWPJA-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CCC[N@@H+](C)CC[C@@H]1CNCCO1 85620830 572774043 /nfs/dbraw/zinc/77/40/43/572774043.db2.gz QQBGAWGJRUWPJA-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC(C)(C)[NH2+]CC[C@@H]1CNCCO1 85621074 572774052 /nfs/dbraw/zinc/77/40/52/572774052.db2.gz ZMRTVEFOIYKNNP-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[N@H+](CC[C@@H]1CNCCO1)C1CC1 85620775 572774084 /nfs/dbraw/zinc/77/40/84/572774084.db2.gz BCIGTQROAYGCNK-SNVBAGLBSA-N 1 3 184.283 0.459 10 0 ACAEHO C[N@@H+](CC[C@@H]1CNCCO1)C1CC1 85620775 572774087 /nfs/dbraw/zinc/77/40/87/572774087.db2.gz BCIGTQROAYGCNK-SNVBAGLBSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[C@H](C)[NH2+]CC[C@H]1CNCCO1 85621106 572774219 /nfs/dbraw/zinc/77/42/19/572774219.db2.gz AAGDMFQOXMZXSG-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO C1CO[C@H](CC[NH2+]C2CC2)CN1 85621109 572774245 /nfs/dbraw/zinc/77/42/45/572774245.db2.gz SXKBKXWDVOGVBD-SECBINFHSA-N 1 3 170.256 0.117 10 0 ACAEHO CCCN(C)CCN[C@@H]1CC[C@@H]([NH3+])C1 688689555 572774342 /nfs/dbraw/zinc/77/43/42/572774342.db2.gz UIEZQCIEZQBALK-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO CC[C@H](C)[NH2+]CC[C@@H]1CNCCO1 85621100 572774445 /nfs/dbraw/zinc/77/44/45/572774445.db2.gz AAGDMFQOXMZXSG-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@@H](C[NH3+])CNCc1cnc[nH]1 308116879 572774613 /nfs/dbraw/zinc/77/46/13/572774613.db2.gz MWLNDLAQYUVZGT-ZETCQYMHSA-N 1 3 168.244 0.094 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]CC[C@@H]1CNCCO1 85621382 572774648 /nfs/dbraw/zinc/77/46/48/572774648.db2.gz CEXXARWBBASFQC-ZJUUUORDSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](C[NH3+])CNCc1cnc[nH]1 308116878 572774692 /nfs/dbraw/zinc/77/46/92/572774692.db2.gz MWLNDLAQYUVZGT-SSDOTTSWSA-N 1 3 168.244 0.094 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]CC[C@@H]1CNCCO1 85621385 572774819 /nfs/dbraw/zinc/77/48/19/572774819.db2.gz CEXXARWBBASFQC-NXEZZACHSA-N 1 3 198.310 0.753 10 0 ACAEHO C1CO[C@@H](CC[NH2+]CC2CC2)CN1 85621143 572774948 /nfs/dbraw/zinc/77/49/48/572774948.db2.gz QMCNYCGBDSLFFL-JTQLQIEISA-N 1 3 184.283 0.365 10 0 ACAEHO C[NH2+]C(C)(C)CN[C@@H](C)CCOC 308126918 572775055 /nfs/dbraw/zinc/77/50/55/572775055.db2.gz DXSUYJPQNJHMHP-VIFPVBQESA-N 1 3 188.315 0.999 10 0 ACAEHO CC(C)[N@H+](C)CC[C@@H]1CNCCO1 85620701 572775086 /nfs/dbraw/zinc/77/50/86/572775086.db2.gz OUUZAZBXRMAOMK-SNVBAGLBSA-N 1 3 186.299 0.705 10 0 ACAEHO CC(C)[N@@H+](C)CC[C@@H]1CNCCO1 85620701 572775089 /nfs/dbraw/zinc/77/50/89/572775089.db2.gz OUUZAZBXRMAOMK-SNVBAGLBSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[NH+](CC)CC[C@H]1CNCCO1 85620605 572775096 /nfs/dbraw/zinc/77/50/96/572775096.db2.gz BORGYSGAJWNPDS-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CCCN(C)C[C@@H](O)C[NH+](C)C 307927842 572775128 /nfs/dbraw/zinc/77/51/28/572775128.db2.gz RZXSAMIWNDICBD-VIFPVBQESA-N 1 3 174.288 0.251 10 0 ACAEHO C1CO[C@@H](CC[NH2+]C2CC2)CN1 85621112 572775196 /nfs/dbraw/zinc/77/51/96/572775196.db2.gz SXKBKXWDVOGVBD-VIFPVBQESA-N 1 3 170.256 0.117 10 0 ACAEHO CC[N@H+](C)CC[C@@H]1CNCCO1 85620761 572775276 /nfs/dbraw/zinc/77/52/76/572775276.db2.gz DMSDOLQAFDNMKJ-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CC[N@@H+](C)CC[C@@H]1CNCCO1 85620761 572775278 /nfs/dbraw/zinc/77/52/78/572775278.db2.gz DMSDOLQAFDNMKJ-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CCC[N@H+](C)CC[C@H]1CNCCO1 85620833 572775448 /nfs/dbraw/zinc/77/54/48/572775448.db2.gz QQBGAWGJRUWPJA-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C1CCC([NH2+]CC[C@@H]2CNCCO2)C1 85621120 572775292 /nfs/dbraw/zinc/77/52/92/572775292.db2.gz JPWDYKFQRRUDND-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO CCn1cccc1C[NH2+]CCN 85608936 572775304 /nfs/dbraw/zinc/77/53/04/572775304.db2.gz PFQDWIFUUYHHET-UHFFFAOYSA-N 1 3 167.256 0.556 10 0 ACAEHO CC[N@H+](CC[C@@H]1CNCCO1)C1CC1 85620769 572775356 /nfs/dbraw/zinc/77/53/56/572775356.db2.gz GDCRDHGZICNVKJ-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CC[N@@H+](CC[C@@H]1CNCCO1)C1CC1 85620769 572775361 /nfs/dbraw/zinc/77/53/61/572775361.db2.gz GDCRDHGZICNVKJ-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CC[C@@H](C)[NH2+]CC[C@@H]1CNCCO1 85621096 572775391 /nfs/dbraw/zinc/77/53/91/572775391.db2.gz AAGDMFQOXMZXSG-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO CCC[N@@H+](C)CC[C@H]1CNCCO1 85620833 572775454 /nfs/dbraw/zinc/77/54/54/572775454.db2.gz QQBGAWGJRUWPJA-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CCN(C)CCC[N@H+](C)[C@H](C)CO 308117616 572775571 /nfs/dbraw/zinc/77/55/71/572775571.db2.gz CEJUDLVWAZXMGL-SNVBAGLBSA-N 1 3 188.315 0.641 10 0 ACAEHO CCN(C)CCC[N@@H+](C)[C@H](C)CO 308117616 572775576 /nfs/dbraw/zinc/77/55/76/572775576.db2.gz CEJUDLVWAZXMGL-SNVBAGLBSA-N 1 3 188.315 0.641 10 0 ACAEHO CCCN(C)C[C@H](O)C[NH+](C)C 307927841 572775605 /nfs/dbraw/zinc/77/56/05/572775605.db2.gz RZXSAMIWNDICBD-SECBINFHSA-N 1 3 174.288 0.251 10 0 ACAEHO C1CO[C@H](CC[NH2+]CCC2CC2)CN1 85621693 572775647 /nfs/dbraw/zinc/77/56/47/572775647.db2.gz VBMLQLWFLMGZRH-LLVKDONJSA-N 1 3 198.310 0.755 10 0 ACAEHO CCCC[NH2+]CC[C@H]1CNCCO1 85621153 572775733 /nfs/dbraw/zinc/77/57/33/572775733.db2.gz YWQDUEZHPSOIIU-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO C1CO[C@H](CC[NH2+]CC2CC2)CN1 85621139 572775792 /nfs/dbraw/zinc/77/57/92/572775792.db2.gz QMCNYCGBDSLFFL-SNVBAGLBSA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CCNC[C@H]1C 308118378 572775794 /nfs/dbraw/zinc/77/57/94/572775794.db2.gz BHVSSXLUYXBCLB-UTLUCORTSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CCN[C@H]1CC[NH2+]C[C@H]1C 308118378 572775799 /nfs/dbraw/zinc/77/57/99/572775799.db2.gz BHVSSXLUYXBCLB-UTLUCORTSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CCNC[C@@H]1C 308118375 572775883 /nfs/dbraw/zinc/77/58/83/572775883.db2.gz BHVSSXLUYXBCLB-GUBZILKMSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CCN[C@H]1CC[NH2+]C[C@@H]1C 308118375 572775886 /nfs/dbraw/zinc/77/58/86/572775886.db2.gz BHVSSXLUYXBCLB-GUBZILKMSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H](C)[C@H](C)CO 308118634 572775930 /nfs/dbraw/zinc/77/59/30/572775930.db2.gz NPLCBSJFSROHBP-XGEHTFHBSA-N 1 3 174.288 0.329 10 0 ACAEHO CC[NH+](CC)CC[C@@H]1CNCCO1 85620602 572775958 /nfs/dbraw/zinc/77/59/58/572775958.db2.gz BORGYSGAJWNPDS-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H](C)[C@@H](C)CO 308118631 572775960 /nfs/dbraw/zinc/77/59/60/572775960.db2.gz NPLCBSJFSROHBP-MAUMQABQSA-N 1 3 174.288 0.329 10 0 ACAEHO C[N@H+](CC[C@H]1CNCCO1)CC1CC1 85621026 572776083 /nfs/dbraw/zinc/77/60/83/572776083.db2.gz CJFWCGWWUYOUIM-NSHDSACASA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@@H+](CC[C@H]1CNCCO1)CC1CC1 85621026 572776087 /nfs/dbraw/zinc/77/60/87/572776087.db2.gz CJFWCGWWUYOUIM-NSHDSACASA-N 1 3 198.310 0.707 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CCC[C@H]1CO 307927389 572776105 /nfs/dbraw/zinc/77/61/05/572776105.db2.gz QKAGJIROUVYQFW-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CCC[C@H]1CO 307927389 572776108 /nfs/dbraw/zinc/77/61/08/572776108.db2.gz QKAGJIROUVYQFW-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C1CC([NH2+]CC[C@H]2CNCCO2)C1 85621434 572776114 /nfs/dbraw/zinc/77/61/14/572776114.db2.gz MXBOFXUUBADLIQ-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO COC1CC(N[C@H](C)[C@@H](C)[NH3+])C1 308117568 572776125 /nfs/dbraw/zinc/77/61/25/572776125.db2.gz NGKJRXWNMGFECR-PZYMCFGQSA-N 1 3 172.272 0.489 10 0 ACAEHO CC(C)(C)[NH2+]CC[C@H]1CNCCO1 85621078 572776147 /nfs/dbraw/zinc/77/61/47/572776147.db2.gz ZMRTVEFOIYKNNP-VIFPVBQESA-N 1 3 186.299 0.753 10 0 ACAEHO C[N@H+](CC[C@@H]1CNCCO1)CC1CC1 85621021 572776203 /nfs/dbraw/zinc/77/62/03/572776203.db2.gz CJFWCGWWUYOUIM-LLVKDONJSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@@H+](CC[C@@H]1CNCCO1)CC1CC1 85621021 572776204 /nfs/dbraw/zinc/77/62/04/572776204.db2.gz CJFWCGWWUYOUIM-LLVKDONJSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[C@@H](C)[NH2+]CC[C@H]1CNCCO1 85621103 572776298 /nfs/dbraw/zinc/77/62/98/572776298.db2.gz AAGDMFQOXMZXSG-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO CC(C)[NH2+]CC[C@@H]1CNCCO1 85621080 572776365 /nfs/dbraw/zinc/77/63/65/572776365.db2.gz QQJVVLQLWZUHIT-SECBINFHSA-N 1 3 172.272 0.363 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]CC[C@H]1CNCCO1 85621391 572776415 /nfs/dbraw/zinc/77/64/15/572776415.db2.gz CEXXARWBBASFQC-VHSXEESVSA-N 1 3 198.310 0.753 10 0 ACAEHO CCCC[NH2+]CC[C@@H]1CNCCO1 85621149 572776433 /nfs/dbraw/zinc/77/64/33/572776433.db2.gz YWQDUEZHPSOIIU-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@@H]1C[C@H]1[NH2+]CC[C@@H]1CNCCO1 85621444 572776472 /nfs/dbraw/zinc/77/64/72/572776472.db2.gz RGQMJGBIGOBATM-OPRDCNLKSA-N 1 3 184.283 0.363 10 0 ACAEHO C[N@H+](CC[C@H]1CNCCO1)C1CC1 85620779 572776550 /nfs/dbraw/zinc/77/65/50/572776550.db2.gz BCIGTQROAYGCNK-JTQLQIEISA-N 1 3 184.283 0.459 10 0 ACAEHO C[N@@H+](CC[C@H]1CNCCO1)C1CC1 85620779 572776554 /nfs/dbraw/zinc/77/65/54/572776554.db2.gz BCIGTQROAYGCNK-JTQLQIEISA-N 1 3 184.283 0.459 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]CC[C@H]1CNCCO1 85621387 572776632 /nfs/dbraw/zinc/77/66/32/572776632.db2.gz CEXXARWBBASFQC-UWVGGRQHSA-N 1 3 198.310 0.753 10 0 ACAEHO CCC[NH2+]CC[C@H]1CNCCO1 85621070 572776792 /nfs/dbraw/zinc/77/67/92/572776792.db2.gz UQBXLVRHZWAXKB-VIFPVBQESA-N 1 3 172.272 0.365 10 0 ACAEHO C[C@H]1CN([C@@H]2CCCOC2)CC[C@@H]1[NH3+] 71014039 572777130 /nfs/dbraw/zinc/77/71/30/572777130.db2.gz MJFUMNHAWIKANY-AXFHLTTASA-N 1 3 198.310 0.835 10 0 ACAEHO COC1CC(N[C@H](C)[C@H](C)[NH3+])C1 308117567 572777410 /nfs/dbraw/zinc/77/74/10/572777410.db2.gz NGKJRXWNMGFECR-MZUZGICHSA-N 1 3 172.272 0.489 10 0 ACAEHO COCC1([NH2+]CC2(CN)CC2)CCC1 393483811 572777529 /nfs/dbraw/zinc/77/75/29/572777529.db2.gz LOHQVQIJAHNVRS-UHFFFAOYSA-N 1 3 198.310 0.884 10 0 ACAEHO COCC1(NCC2(C[NH3+])CC2)CCC1 393483811 572777533 /nfs/dbraw/zinc/77/75/33/572777533.db2.gz LOHQVQIJAHNVRS-UHFFFAOYSA-N 1 3 198.310 0.884 10 0 ACAEHO C[C@H](O)CCC[NH2+]C[C@@H](C)CN 307929967 572777573 /nfs/dbraw/zinc/77/75/73/572777573.db2.gz BMSKHPHYLCGBQR-IUCAKERBSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H](C)[C@@H](C)CO 308118630 572777723 /nfs/dbraw/zinc/77/77/23/572777723.db2.gz NPLCBSJFSROHBP-JBDRJPRFSA-N 1 3 174.288 0.329 10 0 ACAEHO COCC[C@@H](C)[NH2+]C[C@H](C)CN 307928867 572778120 /nfs/dbraw/zinc/77/81/20/572778120.db2.gz ATAUPUIEDBBERA-RKDXNWHRSA-N 1 3 174.288 0.596 10 0 ACAEHO C[C@H](O)CCC[NH2+]C[C@H](C)CN 307929965 572778191 /nfs/dbraw/zinc/77/81/91/572778191.db2.gz BMSKHPHYLCGBQR-BDAKNGLRSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CCNC[C@@H]1C 308118377 572778192 /nfs/dbraw/zinc/77/81/92/572778192.db2.gz BHVSSXLUYXBCLB-LPEHRKFASA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CC[NH2+]C[C@@H]1C 308118377 572778195 /nfs/dbraw/zinc/77/81/95/572778195.db2.gz BHVSSXLUYXBCLB-LPEHRKFASA-N 1 3 186.299 0.345 10 0 ACAEHO COC1CC(N[C@@H](C)[C@H](C)[NH3+])C1 308117566 572778407 /nfs/dbraw/zinc/77/84/07/572778407.db2.gz NGKJRXWNMGFECR-MSIFESELSA-N 1 3 172.272 0.489 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCC[C@@H](C)O 307929966 572778470 /nfs/dbraw/zinc/77/84/70/572778470.db2.gz BMSKHPHYLCGBQR-DTWKUNHWSA-N 1 3 174.288 0.332 10 0 ACAEHO COCC[C@H](C)[NH2+]C[C@@H](C)CN 307928865 572778854 /nfs/dbraw/zinc/77/88/54/572778854.db2.gz ATAUPUIEDBBERA-IUCAKERBSA-N 1 3 174.288 0.596 10 0 ACAEHO COCC[C@H](C)[NH2+]C[C@H](C)CN 307928860 572779126 /nfs/dbraw/zinc/77/91/26/572779126.db2.gz ATAUPUIEDBBERA-BDAKNGLRSA-N 1 3 174.288 0.596 10 0 ACAEHO C[C@@H](O)CCC[NH2+]C[C@H](C)CN 307929968 572779439 /nfs/dbraw/zinc/77/94/39/572779439.db2.gz BMSKHPHYLCGBQR-RKDXNWHRSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H](CCO)CNCC(C)(C)[NH3+] 308119962 572779506 /nfs/dbraw/zinc/77/95/06/572779506.db2.gz ONXZXFFAIAQLJM-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H](CCO)CNCC(C)(C)[NH3+] 308119961 572780843 /nfs/dbraw/zinc/78/08/43/572780843.db2.gz ONXZXFFAIAQLJM-MRVPVSSYSA-N 1 3 174.288 0.332 10 0 ACAEHO CC(C)COCCCNCC[NH3+] 308119951 572781170 /nfs/dbraw/zinc/78/11/70/572781170.db2.gz OMVBGTCFUWDEET-UHFFFAOYSA-N 1 3 174.288 0.597 10 0 ACAEHO C[C@@H](CN1CCCC1)[NH2+]CCN 308119138 572781193 /nfs/dbraw/zinc/78/11/93/572781193.db2.gz OBARSQGGQMEFCZ-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO C[C@H](CN1CCCC1)[NH2+]CCN 308119137 572781339 /nfs/dbraw/zinc/78/13/39/572781339.db2.gz OBARSQGGQMEFCZ-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO CC[C@@H](O)CNCCC(C)(C)[NH3+] 308120188 572781346 /nfs/dbraw/zinc/78/13/46/572781346.db2.gz ORQLRPIUDCEDLV-MRVPVSSYSA-N 1 3 174.288 0.474 10 0 ACAEHO CC[C@H](O)CNCCC(C)(C)[NH3+] 308120189 572781925 /nfs/dbraw/zinc/78/19/25/572781925.db2.gz ORQLRPIUDCEDLV-QMMMGPOBSA-N 1 3 174.288 0.474 10 0 ACAEHO CCSCCNC1CC([NH3+])C1 307932567 572783130 /nfs/dbraw/zinc/78/31/30/572783130.db2.gz WFLDABJASITHNX-UHFFFAOYSA-N 1 3 174.313 0.819 10 0 ACAEHO CO[C@H](C)CN1CC[C@H](C)[C@@H]1C[NH3+] 299908823 572783145 /nfs/dbraw/zinc/78/31/45/572783145.db2.gz JAVMSZYRBBHFPW-AEJSXWLSSA-N 1 3 186.299 0.690 10 0 ACAEHO C=COCCCN[C@@H](C)[C@H](C)[NH3+] 308129212 572783146 /nfs/dbraw/zinc/78/31/46/572783146.db2.gz WQXNHHXEGAEFSL-IUCAKERBSA-N 1 3 172.272 0.862 10 0 ACAEHO CO[C@H](C)[C@@H](C)[N@H+](C)C[C@@H](C)N 308129260 572783529 /nfs/dbraw/zinc/78/35/29/572783529.db2.gz WUCRHUOMSHHRHA-IWSPIJDZSA-N 1 3 174.288 0.689 10 0 ACAEHO CO[C@H](C)[C@@H](C)[N@@H+](C)C[C@@H](C)N 308129260 572783533 /nfs/dbraw/zinc/78/35/33/572783533.db2.gz WUCRHUOMSHHRHA-IWSPIJDZSA-N 1 3 174.288 0.689 10 0 ACAEHO CO[C@H](C)[C@H](C)[N@H+](C)C[C@@H](C)N 308129259 572783769 /nfs/dbraw/zinc/78/37/69/572783769.db2.gz WUCRHUOMSHHRHA-HRDYMLBCSA-N 1 3 174.288 0.689 10 0 ACAEHO CO[C@H](C)[C@H](C)[N@@H+](C)C[C@@H](C)N 308129259 572783772 /nfs/dbraw/zinc/78/37/72/572783772.db2.gz WUCRHUOMSHHRHA-HRDYMLBCSA-N 1 3 174.288 0.689 10 0 ACAEHO CO[C@H](C)CN1CC[C@@H](C)[C@H]1C[NH3+] 299908826 572784416 /nfs/dbraw/zinc/78/44/16/572784416.db2.gz JAVMSZYRBBHFPW-OPRDCNLKSA-N 1 3 186.299 0.690 10 0 ACAEHO FCCC[NH2+]CC[C@H]1CNCCO1 308128633 572784829 /nfs/dbraw/zinc/78/48/29/572784829.db2.gz CJEFWXRSDMQOPS-VIFPVBQESA-N 1 3 190.262 0.314 10 0 ACAEHO CO[C@H](C)CN1CC[C@H](C)[C@H]1C[NH3+] 299908825 572784889 /nfs/dbraw/zinc/78/48/89/572784889.db2.gz JAVMSZYRBBHFPW-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO FCCC[NH2+]CC[C@@H]1CNCCO1 308128632 572785307 /nfs/dbraw/zinc/78/53/07/572785307.db2.gz CJEFWXRSDMQOPS-SECBINFHSA-N 1 3 190.262 0.314 10 0 ACAEHO COC[C@@H](C)NCCC(C)(C)[NH3+] 308120573 572785387 /nfs/dbraw/zinc/78/53/87/572785387.db2.gz PHJBDTGUNQHCDC-MRVPVSSYSA-N 1 3 174.288 0.738 10 0 ACAEHO [NH3+][C@@H](CNCCCF)CC(F)F 308131484 572786277 /nfs/dbraw/zinc/78/62/77/572786277.db2.gz XSYYWPRPZGIERE-ZCFIWIBFSA-N 1 3 184.205 0.918 10 0 ACAEHO C[C@@H](CCCO)[NH2+]C[C@H](C)CN 308131463 572786284 /nfs/dbraw/zinc/78/62/84/572786284.db2.gz XSNFXTJRLMGPIL-BDAKNGLRSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@H](C)CCCO 308131465 572786398 /nfs/dbraw/zinc/78/63/98/572786398.db2.gz XSNFXTJRLMGPIL-DTWKUNHWSA-N 1 3 174.288 0.332 10 0 ACAEHO NCc1cn(CC[NH+]2CCCC2)cn1 236225152 572786802 /nfs/dbraw/zinc/78/68/02/572786802.db2.gz MCBNSUIOQJETMD-UHFFFAOYSA-N 1 3 194.282 0.438 10 0 ACAEHO [NH3+]CC1CCN(CC(=O)C2CC2)CC1 238548266 572787084 /nfs/dbraw/zinc/78/70/84/572787084.db2.gz CFSZVAWLSIZIOR-UHFFFAOYSA-N 1 3 196.294 0.636 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@@H](C)CCCO 308131467 572787468 /nfs/dbraw/zinc/78/74/68/572787468.db2.gz XSNFXTJRLMGPIL-IUCAKERBSA-N 1 3 174.288 0.332 10 0 ACAEHO [NH3+][C@H](CNCCCF)CC(F)F 308131481 572788214 /nfs/dbraw/zinc/78/82/14/572788214.db2.gz XSYYWPRPZGIERE-LURJTMIESA-N 1 3 184.205 0.918 10 0 ACAEHO OCCCC[NH2+]C[C@H]1CCCNC1 236498721 572788900 /nfs/dbraw/zinc/78/89/00/572788900.db2.gz CVXOHGAPKSQGAA-SNVBAGLBSA-N 1 3 186.299 0.348 10 0 ACAEHO OCCCCNC[C@H]1CCC[NH2+]C1 236498721 572788902 /nfs/dbraw/zinc/78/89/02/572788902.db2.gz CVXOHGAPKSQGAA-SNVBAGLBSA-N 1 3 186.299 0.348 10 0 ACAEHO OCCCC[NH2+]C[C@@H]1CCCNC1 236498004 572789940 /nfs/dbraw/zinc/78/99/40/572789940.db2.gz CVXOHGAPKSQGAA-JTQLQIEISA-N 1 3 186.299 0.348 10 0 ACAEHO OCCCCNC[C@@H]1CCC[NH2+]C1 236498004 572789942 /nfs/dbraw/zinc/78/99/42/572789942.db2.gz CVXOHGAPKSQGAA-JTQLQIEISA-N 1 3 186.299 0.348 10 0 ACAEHO CC[C@H](C)[N@H+](CCO)C[C@H](C)CN 308127760 572791361 /nfs/dbraw/zinc/79/13/61/572791361.db2.gz BYIFFAQKCRLZDW-ZJUUUORDSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@H](C)[N@@H+](CCO)C[C@H](C)CN 308127760 572791364 /nfs/dbraw/zinc/79/13/64/572791364.db2.gz BYIFFAQKCRLZDW-ZJUUUORDSA-N 1 3 188.315 0.674 10 0 ACAEHO CO[C@H]1CCN(C2(C[NH3+])CCCC2)C1 234844174 572791272 /nfs/dbraw/zinc/79/12/72/572791272.db2.gz NRTCVGATSWJEQV-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@H](C)[N@H+](CCO)C[C@H](C)CN 308127756 572791678 /nfs/dbraw/zinc/79/16/78/572791678.db2.gz BYIFFAQKCRLZDW-NXEZZACHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@@H](C)[N@@H+](CCO)C[C@H](C)CN 308127756 572791679 /nfs/dbraw/zinc/79/16/79/572791679.db2.gz BYIFFAQKCRLZDW-NXEZZACHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@@H](C)[N@H+](CCO)C[C@@H](C)CN 308127759 572791718 /nfs/dbraw/zinc/79/17/18/572791718.db2.gz BYIFFAQKCRLZDW-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@@H](C)[N@@H+](CCO)C[C@@H](C)CN 308127759 572791723 /nfs/dbraw/zinc/79/17/23/572791723.db2.gz BYIFFAQKCRLZDW-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CN1CCN(C)[C@@H]2C[C@@H]([NH3+])CC[C@@H]21 250410552 572791983 /nfs/dbraw/zinc/79/19/83/572791983.db2.gz WCECYGTZUNDZNO-LPEHRKFASA-N 1 3 183.299 0.112 10 0 ACAEHO CC[C@H](C)[N@H+](CCO)C[C@@H](C)CN 308127758 572792093 /nfs/dbraw/zinc/79/20/93/572792093.db2.gz BYIFFAQKCRLZDW-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@H](C)[N@@H+](CCO)C[C@@H](C)CN 308127758 572792098 /nfs/dbraw/zinc/79/20/98/572792098.db2.gz BYIFFAQKCRLZDW-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@@H]1CCN(C)CCC[NH2+]1 49663002 572792548 /nfs/dbraw/zinc/79/25/48/572792548.db2.gz BOGQZAYKEOYBTD-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO CN1CCN(C)[C@@H]2C[C@H]([NH3+])CC[C@H]21 250410557 572793718 /nfs/dbraw/zinc/79/37/18/572793718.db2.gz WCECYGTZUNDZNO-OPRDCNLKSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CC2)CCN1 49661517 572792943 /nfs/dbraw/zinc/79/29/43/572792943.db2.gz XIENJDNVGVQENB-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H]1CC[N@H+](C2CC2)CCN1 49661517 572792945 /nfs/dbraw/zinc/79/29/45/572792945.db2.gz XIENJDNVGVQENB-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CC2)CCN1 49661515 572793058 /nfs/dbraw/zinc/79/30/58/572793058.db2.gz XIENJDNVGVQENB-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CC2)CCN1 49661515 572793063 /nfs/dbraw/zinc/79/30/63/572793063.db2.gz XIENJDNVGVQENB-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@@H]1C[NH2+][C@H](C)CCN(C)C1 49663016 572793232 /nfs/dbraw/zinc/79/32/32/572793232.db2.gz ZQJPLGZOWLDWIO-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1CCN(C)CCC[NH2+]1 49663004 572794471 /nfs/dbraw/zinc/79/44/71/572794471.db2.gz BOGQZAYKEOYBTD-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO CN1CCN(C)[C@@H]2C[C@@H]([NH3+])CC[C@H]21 250410543 572794740 /nfs/dbraw/zinc/79/47/40/572794740.db2.gz WCECYGTZUNDZNO-IVZWLZJFSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]1C[NH2+]CCCN(C)C1 49663020 572794838 /nfs/dbraw/zinc/79/48/38/572794838.db2.gz CVEINCJZJVXHKJ-QMMMGPOBSA-N 1 3 142.246 0.548 10 0 ACAEHO CN1CCC[C@H](N2CCC[NH2+]CC2)C1 49660636 572795119 /nfs/dbraw/zinc/79/51/19/572795119.db2.gz JSYNNNNZPWBXDN-NSHDSACASA-N 1 3 197.326 0.376 10 0 ACAEHO CC[C@H](C)NC[C@@]1(O)CC[NH2+]C1 307937142 572796024 /nfs/dbraw/zinc/79/60/24/572796024.db2.gz AFVKDWHRMSRCKZ-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CO[C@@H]1CCN(C2(C[NH3+])CCCC2)C1 234846785 572795950 /nfs/dbraw/zinc/79/59/50/572795950.db2.gz NRTCVGATSWJEQV-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H](C)CN(C)C1 49663023 572796079 /nfs/dbraw/zinc/79/60/79/572796079.db2.gz FOKWCYFSTFRKHM-IUCAKERBSA-N 1 3 156.273 0.794 10 0 ACAEHO [NH3+]CC[C@@H]1CN(CCC2CC2)CCO1 238554662 572796348 /nfs/dbraw/zinc/79/63/48/572796348.db2.gz STWVVJZAOYVAGO-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO CN1CCN(C)[C@@H]2C[C@H]([NH3+])CC[C@@H]21 250410548 572796511 /nfs/dbraw/zinc/79/65/11/572796511.db2.gz WCECYGTZUNDZNO-KXUCPTDWSA-N 1 3 183.299 0.112 10 0 ACAEHO CC[C@H](C)NC[C@]1(O)CC[NH2+]C1 307937143 572796600 /nfs/dbraw/zinc/79/66/00/572796600.db2.gz AFVKDWHRMSRCKZ-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H]1C[NH2+]CCCN(C)C1 49663019 572796612 /nfs/dbraw/zinc/79/66/12/572796612.db2.gz CVEINCJZJVXHKJ-MRVPVSSYSA-N 1 3 142.246 0.548 10 0 ACAEHO CN1CCC[C@@H](N2CCC[NH2+]CC2)C1 49660638 572796772 /nfs/dbraw/zinc/79/67/72/572796772.db2.gz JSYNNNNZPWBXDN-LLVKDONJSA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@H](NCCc1ncc[nH]1)[C@@H](C)[NH3+] 308132072 572797000 /nfs/dbraw/zinc/79/70/00/572797000.db2.gz KAMACSRWNSLNOV-SFYZADRCSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H]([NH2+]CCc1ncc[nH]1)[C@@H](C)N 308132072 572797003 /nfs/dbraw/zinc/79/70/03/572797003.db2.gz KAMACSRWNSLNOV-SFYZADRCSA-N 1 3 182.271 0.278 10 0 ACAEHO CC[C@@H](C)NC[C@@]1(O)CC[NH2+]C1 307937144 572797024 /nfs/dbraw/zinc/79/70/24/572797024.db2.gz AFVKDWHRMSRCKZ-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCc1ncc[nH]1 308132071 572797477 /nfs/dbraw/zinc/79/74/77/572797477.db2.gz KAMACSRWNSLNOV-JGVFFNPUSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CCc1ncc[nH]1 308132071 572797484 /nfs/dbraw/zinc/79/74/84/572797484.db2.gz KAMACSRWNSLNOV-JGVFFNPUSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H](C)CN(C)C1 49663022 572797550 /nfs/dbraw/zinc/79/75/50/572797550.db2.gz FOKWCYFSTFRKHM-DTORHVGOSA-N 1 3 156.273 0.794 10 0 ACAEHO CC[C@@H](C)NC[C@]1(O)CC[NH2+]C1 307937141 572797553 /nfs/dbraw/zinc/79/75/53/572797553.db2.gz AFVKDWHRMSRCKZ-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CN[C@@H]1C=C(C)C[C@@H]2C[NH2+]C[C@H]21 141675158 572797717 /nfs/dbraw/zinc/79/77/17/572797717.db2.gz PPNDPGDWMJJOSY-OPRDCNLKSA-N 1 3 166.268 0.760 10 0 ACAEHO CC(C)[C@H]([NH3+])CCN(C)[C@H](C)CO 308132274 572797893 /nfs/dbraw/zinc/79/78/93/572797893.db2.gz FQSCOAXVMHEDOU-NXEZZACHSA-N 1 3 188.315 0.672 10 0 ACAEHO COC[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C 49707850 572798286 /nfs/dbraw/zinc/79/82/86/572798286.db2.gz HCOANVOQYIQHRU-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO CC(C)[C@@H]([NH3+])CCN(C)[C@H](C)CO 308132277 572798508 /nfs/dbraw/zinc/79/85/08/572798508.db2.gz FQSCOAXVMHEDOU-ZJUUUORDSA-N 1 3 188.315 0.672 10 0 ACAEHO CO[C@@]1(C)CCN(CCC(N)=[NH2+])C1 308132200 572798606 /nfs/dbraw/zinc/79/86/06/572798606.db2.gz KHMWVRQBJACTEN-VIFPVBQESA-N 1 3 185.271 0.423 10 0 ACAEHO CO[C@]1(C)CCN(CCC(N)=[NH2+])C1 308132197 572798690 /nfs/dbraw/zinc/79/86/90/572798690.db2.gz KHMWVRQBJACTEN-SECBINFHSA-N 1 3 185.271 0.423 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCC[C@@H]2O)C[C@@H]1[NH3+] 235346455 572799173 /nfs/dbraw/zinc/79/91/73/572799173.db2.gz HCCVBAGBWALQHQ-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CN(C2CC2)CC[C@@H]1[NH3+] 49708968 572800022 /nfs/dbraw/zinc/80/00/22/572800022.db2.gz FROHXGHZMQHEDB-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO CO[C@H]1CCCN(CC[C@H](C)[NH3+])C1 299911544 572800193 /nfs/dbraw/zinc/80/01/93/572800193.db2.gz NDKPFJQZKQEUIG-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C1CNCCC[NH+](C2CCOCC2)C1 49666388 572800300 /nfs/dbraw/zinc/80/03/00/572800300.db2.gz DFMUSHHVXHVWLF-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO C1C[NH2+]CCCN(C2CCOCC2)C1 49666388 572800309 /nfs/dbraw/zinc/80/03/09/572800309.db2.gz DFMUSHHVXHVWLF-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CC(C)[C@@H]([NH3+])CCN(C)[C@@H](C)CO 308132275 572800314 /nfs/dbraw/zinc/80/03/14/572800314.db2.gz FQSCOAXVMHEDOU-UWVGGRQHSA-N 1 3 188.315 0.672 10 0 ACAEHO CO[C@@H]1CCCN(C[C@H](C)C[NH3+])C1 299911796 572800595 /nfs/dbraw/zinc/80/05/95/572800595.db2.gz NMGNDJMKXBIGDA-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@H](CNCC1([NH3+])CC1)OC 307937993 572800643 /nfs/dbraw/zinc/80/06/43/572800643.db2.gz RVTJBVNVDWSSOB-MRVPVSSYSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCc1ncc[nH]1 308132075 572800681 /nfs/dbraw/zinc/80/06/81/572800681.db2.gz KAMACSRWNSLNOV-YUMQZZPRSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]CCc1ncc[nH]1 308132075 572800687 /nfs/dbraw/zinc/80/06/87/572800687.db2.gz KAMACSRWNSLNOV-YUMQZZPRSA-N 1 3 182.271 0.278 10 0 ACAEHO CO[C@H]1CCCN(C[C@H](C)C[NH3+])C1 299911797 572801121 /nfs/dbraw/zinc/80/11/21/572801121.db2.gz NMGNDJMKXBIGDA-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCO1 49694025 572801138 /nfs/dbraw/zinc/80/11/38/572801138.db2.gz PAPYEQNUVMIJGT-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO COC1CC(C[NH3+])(N2CC[C@@H](C)C2)C1 234595943 572801205 /nfs/dbraw/zinc/80/12/05/572801205.db2.gz BUWFYKCNMWCWDD-KPPDAEKUSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CCCN(CC[C@H](C)[NH3+])C1 299911545 572801379 /nfs/dbraw/zinc/80/13/79/572801379.db2.gz NDKPFJQZKQEUIG-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO COC1CC(C[NH3+])(N2CC[C@H](C)C2)C1 234596356 572801588 /nfs/dbraw/zinc/80/15/88/572801588.db2.gz BUWFYKCNMWCWDD-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCO1 49694031 572801742 /nfs/dbraw/zinc/80/17/42/572801742.db2.gz PAPYEQNUVMIJGT-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO COC[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C 49707847 572801818 /nfs/dbraw/zinc/80/18/18/572801818.db2.gz HCOANVOQYIQHRU-KXUCPTDWSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCOCC2)C[C@@H]1[NH3+] 235347146 572801958 /nfs/dbraw/zinc/80/19/58/572801958.db2.gz PNZOWLOLFBDQFK-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1C1CC1 49708988 572802218 /nfs/dbraw/zinc/80/22/18/572802218.db2.gz QNCFUUKHWILSKF-JGVFFNPUSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1C1CC1 49708986 572802294 /nfs/dbraw/zinc/80/22/94/572802294.db2.gz QNCFUUKHWILSKF-HTQZYQBOSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1CN(C2CC2)CC[C@@H]1[NH3+] 49708970 572802898 /nfs/dbraw/zinc/80/28/98/572802898.db2.gz FROHXGHZMQHEDB-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO [NH3+]CC1(NCCC2CC2)CC1 236227868 572802908 /nfs/dbraw/zinc/80/29/08/572802908.db2.gz PVFCJYRNVOKMAL-UHFFFAOYSA-N 1 3 154.257 0.867 10 0 ACAEHO CO[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 234852852 572803382 /nfs/dbraw/zinc/80/33/82/572803382.db2.gz TYFOZTPGBHYLFN-QLVNRRSVSA-N 1 3 184.283 0.633 10 0 ACAEHO CO[C@@H]1CC[C@@H](NC2CC([NH3+])C2)C1 234852852 572803387 /nfs/dbraw/zinc/80/33/87/572803387.db2.gz TYFOZTPGBHYLFN-QLVNRRSVSA-N 1 3 184.283 0.633 10 0 ACAEHO COC[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C 49707849 572803425 /nfs/dbraw/zinc/80/34/25/572803425.db2.gz HCOANVOQYIQHRU-UTLUCORTSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCOCC2)CC[C@@H]1N 49711405 572804225 /nfs/dbraw/zinc/80/42/25/572804225.db2.gz RIXIWOKWVPIPRR-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1C[N@H+](C2CCOCC2)CC[C@@H]1N 49711405 572804227 /nfs/dbraw/zinc/80/42/27/572804227.db2.gz RIXIWOKWVPIPRR-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1CN(C2CCOCC2)CC[C@@H]1[NH3+] 49711405 572804230 /nfs/dbraw/zinc/80/42/30/572804230.db2.gz RIXIWOKWVPIPRR-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1CCOCC1 49711420 572805142 /nfs/dbraw/zinc/80/51/42/572805142.db2.gz ONJNXRQNWZSMHR-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1CCOCC1 49711420 572805145 /nfs/dbraw/zinc/80/51/45/572805145.db2.gz ONJNXRQNWZSMHR-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C1CCOCC1 49711420 572805147 /nfs/dbraw/zinc/80/51/47/572805147.db2.gz ONJNXRQNWZSMHR-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H](N)CC[N@@H+]1C1CCOCC1 49711416 572805256 /nfs/dbraw/zinc/80/52/56/572805256.db2.gz ONJNXRQNWZSMHR-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H](N)CC[N@H+]1C1CCOCC1 49711416 572805259 /nfs/dbraw/zinc/80/52/59/572805259.db2.gz ONJNXRQNWZSMHR-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1C1CCOCC1 49711416 572805260 /nfs/dbraw/zinc/80/52/60/572805260.db2.gz ONJNXRQNWZSMHR-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1CC[C@](C)(CN)C1 308132861 572805264 /nfs/dbraw/zinc/80/52/64/572805264.db2.gz GDNOYYZHHHJOAQ-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H](O)C[N@H+]1CC[C@](C)(CN)C1 308132861 572805267 /nfs/dbraw/zinc/80/52/67/572805267.db2.gz GDNOYYZHHHJOAQ-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@](C)(C[NH3+])N1CCC[C@H]1CO 257583863 572805713 /nfs/dbraw/zinc/80/57/13/572805713.db2.gz QDMGOIXFDOXMJA-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CO[C@@H]1CC[N@H+](CC(C)=C2CNC2)C1 234852658 572805738 /nfs/dbraw/zinc/80/57/38/572805738.db2.gz HUFJNMJYVMMMSC-LLVKDONJSA-N 1 3 196.294 0.627 10 0 ACAEHO CO[C@@H]1CC[N@@H+](CC(C)=C2CNC2)C1 234852658 572805742 /nfs/dbraw/zinc/80/57/42/572805742.db2.gz HUFJNMJYVMMMSC-LLVKDONJSA-N 1 3 196.294 0.627 10 0 ACAEHO CC[C@@](C)(O)C[NH2+]C[C@@H](C)CN 307941718 572805996 /nfs/dbraw/zinc/80/59/96/572805996.db2.gz CNGRBZJPSICXBW-DTWKUNHWSA-N 1 3 174.288 0.332 10 0 ACAEHO CO[C@H]1CC[N@H+](CC(C)=C2CNC2)C1 234851843 572806131 /nfs/dbraw/zinc/80/61/31/572806131.db2.gz HUFJNMJYVMMMSC-NSHDSACASA-N 1 3 196.294 0.627 10 0 ACAEHO CO[C@H]1CC[N@@H+](CC(C)=C2CNC2)C1 234851843 572806134 /nfs/dbraw/zinc/80/61/34/572806134.db2.gz HUFJNMJYVMMMSC-NSHDSACASA-N 1 3 196.294 0.627 10 0 ACAEHO CC[C@](C)(O)C[NH2+]C[C@@H](C)CN 307941727 572806143 /nfs/dbraw/zinc/80/61/43/572806143.db2.gz CNGRBZJPSICXBW-IUCAKERBSA-N 1 3 174.288 0.332 10 0 ACAEHO CC[C@@](C)(C[NH3+])N1CCC[C@H]1CO 257583862 572806367 /nfs/dbraw/zinc/80/63/67/572806367.db2.gz QDMGOIXFDOXMJA-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@](C)(O)C[NH2+]C[C@H](C)CN 307941709 572806496 /nfs/dbraw/zinc/80/64/96/572806496.db2.gz CNGRBZJPSICXBW-BDAKNGLRSA-N 1 3 174.288 0.332 10 0 ACAEHO NC1(C[NH3+])CCSCC1 49735215 572806525 /nfs/dbraw/zinc/80/65/25/572806525.db2.gz GFYJBFGHGFOAHP-UHFFFAOYSA-N 1 3 146.259 0.170 10 0 ACAEHO C[C@@H]1OCC[C@H]1C[NH2+]C1CCNCC1 235358277 572806878 /nfs/dbraw/zinc/80/68/78/572806878.db2.gz WSBFGSHFRFELHR-UWVGGRQHSA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@@](C)(O)C[NH2+]C[C@H](C)CN 307941737 572807134 /nfs/dbraw/zinc/80/71/34/572807134.db2.gz CNGRBZJPSICXBW-RKDXNWHRSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CCOCC1 49711422 572807149 /nfs/dbraw/zinc/80/71/49/572807149.db2.gz ONJNXRQNWZSMHR-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CCOCC1 49711422 572807152 /nfs/dbraw/zinc/80/71/52/572807152.db2.gz ONJNXRQNWZSMHR-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1C1CCOCC1 49711422 572807153 /nfs/dbraw/zinc/80/71/53/572807153.db2.gz ONJNXRQNWZSMHR-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1CCOCC1 49711418 572807202 /nfs/dbraw/zinc/80/72/02/572807202.db2.gz ONJNXRQNWZSMHR-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1CCOCC1 49711418 572807204 /nfs/dbraw/zinc/80/72/04/572807204.db2.gz ONJNXRQNWZSMHR-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1C1CCOCC1 49711418 572807207 /nfs/dbraw/zinc/80/72/07/572807207.db2.gz ONJNXRQNWZSMHR-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCOCC2)CC[C@@H]1N 49711404 572807459 /nfs/dbraw/zinc/80/74/59/572807459.db2.gz RIXIWOKWVPIPRR-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCOCC2)CC[C@@H]1N 49711404 572807463 /nfs/dbraw/zinc/80/74/63/572807463.db2.gz RIXIWOKWVPIPRR-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CN(C2CCOCC2)CC[C@@H]1[NH3+] 49711404 572807467 /nfs/dbraw/zinc/80/74/67/572807467.db2.gz RIXIWOKWVPIPRR-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C1CC1 49708989 572807665 /nfs/dbraw/zinc/80/76/65/572807665.db2.gz QNCFUUKHWILSKF-SFYZADRCSA-N 1 3 154.257 0.960 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H](CN2CCC2)O1 308137936 572807682 /nfs/dbraw/zinc/80/76/82/572807682.db2.gz JLERBAXRPLVCBC-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO CC(C)([NH3+])CN[C@@H]1CCC[C@H]1CO 308137621 572807897 /nfs/dbraw/zinc/80/78/97/572807897.db2.gz PSOXGJZLFXYGOC-DTWKUNHWSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1C1CC1 49708990 572808334 /nfs/dbraw/zinc/80/83/34/572808334.db2.gz QNCFUUKHWILSKF-YUMQZZPRSA-N 1 3 154.257 0.960 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@H](CN2CCC2)O1 308137934 572808477 /nfs/dbraw/zinc/80/84/77/572808477.db2.gz JLERBAXRPLVCBC-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[C@](C)([C@@H](C)[NH3+])N(C)[C@H](C)CO 308138449 572808593 /nfs/dbraw/zinc/80/85/93/572808593.db2.gz JTDAHHIOGFLUCE-OPRDCNLKSA-N 1 3 188.315 0.815 10 0 ACAEHO CC[C@](C)([C@@H](C)[NH3+])N(C)[C@@H](C)CO 308138446 572808957 /nfs/dbraw/zinc/80/89/57/572808957.db2.gz JTDAHHIOGFLUCE-IVZWLZJFSA-N 1 3 188.315 0.815 10 0 ACAEHO CC(C)([NH3+])CN[C@@H]1CCC[C@@H]1CO 308137629 572809189 /nfs/dbraw/zinc/80/91/89/572809189.db2.gz PSOXGJZLFXYGOC-RKDXNWHRSA-N 1 3 186.299 0.474 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@@H](CN2CCC2)O1 308137938 572809402 /nfs/dbraw/zinc/80/94/02/572809402.db2.gz JLERBAXRPLVCBC-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[C@](C)([C@H](C)[NH3+])N(C)[C@H](C)CO 308138447 572809477 /nfs/dbraw/zinc/80/94/77/572809477.db2.gz JTDAHHIOGFLUCE-KXUCPTDWSA-N 1 3 188.315 0.815 10 0 ACAEHO CC[C@](C)([C@H](C)[NH3+])N(C)[C@@H](C)CO 308138448 572810440 /nfs/dbraw/zinc/81/04/40/572810440.db2.gz JTDAHHIOGFLUCE-LPEHRKFASA-N 1 3 188.315 0.815 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H](CN2CCC2)O1 308137937 572810655 /nfs/dbraw/zinc/81/06/55/572810655.db2.gz JLERBAXRPLVCBC-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO COCCC[NH2+][C@@H]1CCNC[C@H]1C 308138833 572811585 /nfs/dbraw/zinc/81/15/85/572811585.db2.gz QTTXVDAQAUMUHW-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@H](CC[NH3+])N(C)CCN(C)C 49805140 572811708 /nfs/dbraw/zinc/81/17/08/572811708.db2.gz XVHURWKCNQYQMN-SECBINFHSA-N 1 3 173.304 0.217 10 0 ACAEHO COCCC[NH2+][C@@H]1CCNC[C@@H]1C 308138835 572811897 /nfs/dbraw/zinc/81/18/97/572811897.db2.gz QTTXVDAQAUMUHW-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO COCCC[NH2+][C@H]1CCNC[C@@H]1C 308138834 572812235 /nfs/dbraw/zinc/81/22/35/572812235.db2.gz QTTXVDAQAUMUHW-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO COCCC[NH2+][C@H]1CCNC[C@H]1C 308138836 572813325 /nfs/dbraw/zinc/81/33/25/572813325.db2.gz QTTXVDAQAUMUHW-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH2+]CCCCO 308133925 572814721 /nfs/dbraw/zinc/81/47/21/572814721.db2.gz MMAJZDMRALGVHN-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH2+]CCCCO 308133927 572815607 /nfs/dbraw/zinc/81/56/07/572815607.db2.gz MMAJZDMRALGVHN-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO C[NH+](C)C[C@H](N)Cc1ccnc(N)c1 85797950 572816119 /nfs/dbraw/zinc/81/61/19/572816119.db2.gz GPMRLNAIMIMQNY-SECBINFHSA-N 1 3 194.282 0.095 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]CCCCO 308133923 572816326 /nfs/dbraw/zinc/81/63/26/572816326.db2.gz MMAJZDMRALGVHN-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO C1CO[C@@]2(CC[NH+]3CCC2CC3)CN1 75123236 572816740 /nfs/dbraw/zinc/81/67/40/572816740.db2.gz QXQGPFKWWFNXCN-NSHDSACASA-N 1 3 196.294 0.461 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CCCCO 308133929 572816803 /nfs/dbraw/zinc/81/68/03/572816803.db2.gz MMAJZDMRALGVHN-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO C[NH+](C)C[C@@H](N)Cc1ccnc(N)c1 85797953 572816968 /nfs/dbraw/zinc/81/69/68/572816968.db2.gz GPMRLNAIMIMQNY-VIFPVBQESA-N 1 3 194.282 0.095 10 0 ACAEHO C1CO[C@]2(CC[NH+]3CCC2CC3)CN1 75123233 572817154 /nfs/dbraw/zinc/81/71/54/572817154.db2.gz QXQGPFKWWFNXCN-LLVKDONJSA-N 1 3 196.294 0.461 10 0 ACAEHO CN(C)Cc1cc([C@@H](O)C[NH3+])cn1C 75124118 572817834 /nfs/dbraw/zinc/81/78/34/572817834.db2.gz WDSSNFTVZBEXKO-JTQLQIEISA-N 1 3 197.282 0.079 10 0 ACAEHO CC[C@H](C)N(CCO)[C@@H](CC)C[NH3+] 308135543 572818578 /nfs/dbraw/zinc/81/85/78/572818578.db2.gz HZTAYYLCOMHCKM-UWVGGRQHSA-N 1 3 188.315 0.817 10 0 ACAEHO CN(C)C[C@H]([NH3+])Cc1cnccc1N 85798029 572818585 /nfs/dbraw/zinc/81/85/85/572818585.db2.gz WTBGKZBMLUPCIB-SECBINFHSA-N 1 3 194.282 0.095 10 0 ACAEHO C[NH+](C)C[C@H](N)Cc1cnccc1N 85798029 572818587 /nfs/dbraw/zinc/81/85/87/572818587.db2.gz WTBGKZBMLUPCIB-SECBINFHSA-N 1 3 194.282 0.095 10 0 ACAEHO O[C@H]1CN[C@H](C[NH2+]CCCCF)C1 308135146 572818611 /nfs/dbraw/zinc/81/86/11/572818611.db2.gz NMGHDMCVWVIXMO-DTWKUNHWSA-N 1 3 190.262 0.049 10 0 ACAEHO O[C@@H]1CN[C@@H](C[NH2+]CCCCF)C1 308135145 572818707 /nfs/dbraw/zinc/81/87/07/572818707.db2.gz NMGHDMCVWVIXMO-BDAKNGLRSA-N 1 3 190.262 0.049 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]CCc1c[nH]cn1 308135264 572818795 /nfs/dbraw/zinc/81/87/95/572818795.db2.gz NTOXBDHXKMDUQA-HTQZYQBOSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCCc1c[nH]cn1 308135264 572818799 /nfs/dbraw/zinc/81/87/99/572818799.db2.gz NTOXBDHXKMDUQA-HTQZYQBOSA-N 1 3 182.271 0.278 10 0 ACAEHO O[C@H]1CN[C@@H](C[NH2+]CCCCF)C1 308135149 572818951 /nfs/dbraw/zinc/81/89/51/572818951.db2.gz NMGHDMCVWVIXMO-RKDXNWHRSA-N 1 3 190.262 0.049 10 0 ACAEHO C[C@H]([NH2+]CCc1c[nH]cn1)[C@@H](C)N 308135268 572819051 /nfs/dbraw/zinc/81/90/51/572819051.db2.gz NTOXBDHXKMDUQA-SFYZADRCSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H](NCCc1c[nH]cn1)[C@@H](C)[NH3+] 308135268 572819054 /nfs/dbraw/zinc/81/90/54/572819054.db2.gz NTOXBDHXKMDUQA-SFYZADRCSA-N 1 3 182.271 0.278 10 0 ACAEHO CN(C)C[C@@H]([NH3+])Cc1cnccc1N 85798031 572819400 /nfs/dbraw/zinc/81/94/00/572819400.db2.gz WTBGKZBMLUPCIB-VIFPVBQESA-N 1 3 194.282 0.095 10 0 ACAEHO C[NH+](C)C[C@@H](N)Cc1cnccc1N 85798031 572819402 /nfs/dbraw/zinc/81/94/02/572819402.db2.gz WTBGKZBMLUPCIB-VIFPVBQESA-N 1 3 194.282 0.095 10 0 ACAEHO CN(CCC[NH3+])C[C@H](O)C(C)(C)C 308135556 572819673 /nfs/dbraw/zinc/81/96/73/572819673.db2.gz IADYVWIRFWSMNR-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO CC[C@@H](C)N(CCO)[C@H](CC)C[NH3+] 308135542 572819898 /nfs/dbraw/zinc/81/98/98/572819898.db2.gz HZTAYYLCOMHCKM-NXEZZACHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@@H](C[NH3+])N(CCO)[C@H](C)CC 308135545 572819936 /nfs/dbraw/zinc/81/99/36/572819936.db2.gz HZTAYYLCOMHCKM-ZJUUUORDSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CCc1c[nH]cn1 308135266 572819978 /nfs/dbraw/zinc/81/99/78/572819978.db2.gz NTOXBDHXKMDUQA-JGVFFNPUSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NCCc1c[nH]cn1 308135266 572819981 /nfs/dbraw/zinc/81/99/81/572819981.db2.gz NTOXBDHXKMDUQA-JGVFFNPUSA-N 1 3 182.271 0.278 10 0 ACAEHO CN(CCC[NH3+])C[C@@H](O)C(C)(C)C 308135555 572820031 /nfs/dbraw/zinc/82/00/31/572820031.db2.gz IADYVWIRFWSMNR-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]CCc1c[nH]cn1 308135271 572820087 /nfs/dbraw/zinc/82/00/87/572820087.db2.gz NTOXBDHXKMDUQA-YUMQZZPRSA-N 1 3 182.271 0.278 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCc1c[nH]cn1 308135271 572820092 /nfs/dbraw/zinc/82/00/92/572820092.db2.gz NTOXBDHXKMDUQA-YUMQZZPRSA-N 1 3 182.271 0.278 10 0 ACAEHO CN(C)Cc1cc([C@H](O)C[NH3+])cn1C 75124116 572820487 /nfs/dbraw/zinc/82/04/87/572820487.db2.gz WDSSNFTVZBEXKO-SNVBAGLBSA-N 1 3 197.282 0.079 10 0 ACAEHO CC[N@H+](C)C[C@H](O)CNC1CCC1 308139696 572821229 /nfs/dbraw/zinc/82/12/29/572821229.db2.gz RIEITWZCKVIGBM-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+](C)C[C@H](O)CNC1CCC1 308139696 572821231 /nfs/dbraw/zinc/82/12/31/572821231.db2.gz RIEITWZCKVIGBM-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CCC[C@](C)(O)CN[C@H](C)[C@@H](C)[NH3+] 308140287 572821267 /nfs/dbraw/zinc/82/12/67/572821267.db2.gz RXQWSVMCLHMHHA-BBBLOLIVSA-N 1 3 188.315 0.863 10 0 ACAEHO CC[N@H+](C)C[C@@H](O)CNC1CCC1 308139695 572821572 /nfs/dbraw/zinc/82/15/72/572821572.db2.gz RIEITWZCKVIGBM-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+](C)C[C@@H](O)CNC1CCC1 308139695 572821576 /nfs/dbraw/zinc/82/15/76/572821576.db2.gz RIEITWZCKVIGBM-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO [NH3+]CC[C@H]1CN(CCC2CC2)CCO1 238563434 572822514 /nfs/dbraw/zinc/82/25/14/572822514.db2.gz STWVVJZAOYVAGO-NSHDSACASA-N 1 3 198.310 0.836 10 0 ACAEHO CCC[C@](C)(O)CN[C@@H](C)[C@@H](C)[NH3+] 308140289 572822551 /nfs/dbraw/zinc/82/25/51/572822551.db2.gz RXQWSVMCLHMHHA-UTLUCORTSA-N 1 3 188.315 0.863 10 0 ACAEHO CO[C@H]1CN(CCC(N)=[NH2+])CC[C@H]1C 299914647 572822577 /nfs/dbraw/zinc/82/25/77/572822577.db2.gz QMLZZLYKPAULPS-BDAKNGLRSA-N 1 3 199.298 0.669 10 0 ACAEHO CCC[C@](C)(O)CN[C@@H](C)[C@H](C)[NH3+] 308140288 572823047 /nfs/dbraw/zinc/82/30/47/572823047.db2.gz RXQWSVMCLHMHHA-GUBZILKMSA-N 1 3 188.315 0.863 10 0 ACAEHO CC(C)([NH3+])CNCC1(O)CCCC1 308139774 572823106 /nfs/dbraw/zinc/82/31/06/572823106.db2.gz RNRKRLMDDMKLBE-UHFFFAOYSA-N 1 3 186.299 0.618 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH2+][C@H](C)CCO 308144407 572823207 /nfs/dbraw/zinc/82/32/07/572823207.db2.gz WRWOPBLDXNFSDY-IVZWLZJFSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N[C@H](C)CCO 308144407 572823209 /nfs/dbraw/zinc/82/32/09/572823209.db2.gz WRWOPBLDXNFSDY-IVZWLZJFSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CCO)[NH2+][C@H]1CCNC[C@H]1C 308144405 572823992 /nfs/dbraw/zinc/82/39/92/572823992.db2.gz WRWOPBLDXNFSDY-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CCO)N[C@H]1CC[NH2+]C[C@H]1C 308144405 572823993 /nfs/dbraw/zinc/82/39/93/572823993.db2.gz WRWOPBLDXNFSDY-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO [NH3+]C[C@@H]1CCN(CCn2cccc2)C1 238569959 572827686 /nfs/dbraw/zinc/82/76/86/572827686.db2.gz LOCXYMYZRCVUAA-NSHDSACASA-N 1 3 193.294 0.769 10 0 ACAEHO NC[C@@H]1CC[N@H+](CCn2cccc2)C1 238569959 572827689 /nfs/dbraw/zinc/82/76/89/572827689.db2.gz LOCXYMYZRCVUAA-NSHDSACASA-N 1 3 193.294 0.769 10 0 ACAEHO NC[C@@H]1CC[N@@H+](CCn2cccc2)C1 238569959 572827694 /nfs/dbraw/zinc/82/76/94/572827694.db2.gz LOCXYMYZRCVUAA-NSHDSACASA-N 1 3 193.294 0.769 10 0 ACAEHO CN(C)CCN1CCC[C@H]2C[NH2+]C[C@H]21 299892846 572828162 /nfs/dbraw/zinc/82/81/62/572828162.db2.gz DXRAQMMCAHRQPW-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO [NH3+]C[C@H]1CCN(CCn2cccc2)C1 238569557 572828288 /nfs/dbraw/zinc/82/82/88/572828288.db2.gz LOCXYMYZRCVUAA-LLVKDONJSA-N 1 3 193.294 0.769 10 0 ACAEHO NC[C@H]1CC[N@H+](CCn2cccc2)C1 238569557 572828292 /nfs/dbraw/zinc/82/82/92/572828292.db2.gz LOCXYMYZRCVUAA-LLVKDONJSA-N 1 3 193.294 0.769 10 0 ACAEHO NC[C@H]1CC[N@@H+](CCn2cccc2)C1 238569557 572828297 /nfs/dbraw/zinc/82/82/97/572828297.db2.gz LOCXYMYZRCVUAA-LLVKDONJSA-N 1 3 193.294 0.769 10 0 ACAEHO N[C@@H](CNCCC[NH3+])c1ccccc1 238568134 572828325 /nfs/dbraw/zinc/82/83/25/572828325.db2.gz DQVFFOIIGNTKLI-NSHDSACASA-N 1 3 193.294 0.625 10 0 ACAEHO N[C@H](CNCCC[NH3+])c1ccccc1 238567990 572828954 /nfs/dbraw/zinc/82/89/54/572828954.db2.gz DQVFFOIIGNTKLI-LLVKDONJSA-N 1 3 193.294 0.625 10 0 ACAEHO CN(C)CCN1CCC[C@@H]2C[NH2+]C[C@H]21 299892845 572828955 /nfs/dbraw/zinc/82/89/55/572828955.db2.gz DXRAQMMCAHRQPW-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO COC1CC(N2CCC[C@H](C[NH3+])C2)C1 234611410 572828977 /nfs/dbraw/zinc/82/89/77/572828977.db2.gz UHHJFROZAHOSSY-KPPDAEKUSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NCC(C)(C)CCO 308141561 572829346 /nfs/dbraw/zinc/82/93/46/572829346.db2.gz UIGKBJGNCPUTQQ-RKDXNWHRSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@@]1(CO)CCC[N@@H+]1C1CCNCC1 118283097 572829491 /nfs/dbraw/zinc/82/94/91/572829491.db2.gz GLAXWGKPLIVTNJ-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@]1(CO)CCC[N@H+]1C1CCNCC1 118283097 572829495 /nfs/dbraw/zinc/82/94/95/572829495.db2.gz GLAXWGKPLIVTNJ-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO [NH3+]C[C@H]1CCN(CCc2c[nH]cn2)C1 238569529 572829505 /nfs/dbraw/zinc/82/95/05/572829505.db2.gz XVUWDJBGFLXAHB-SECBINFHSA-N 1 3 194.282 0.233 10 0 ACAEHO [NH3+]C[C@@H]1CCN(CCc2c[nH]cn2)C1 238569935 572829582 /nfs/dbraw/zinc/82/95/82/572829582.db2.gz XVUWDJBGFLXAHB-VIFPVBQESA-N 1 3 194.282 0.233 10 0 ACAEHO CCN(CC(N)=O)C1CCC([NH3+])CC1 85870621 572830254 /nfs/dbraw/zinc/83/02/54/572830254.db2.gz HPUDUDXXFBAXAB-UHFFFAOYSA-N 1 3 199.298 0.064 10 0 ACAEHO CCN1CC[C@@H](C[NH2+][C@H](C)CO)C1 308142793 572831148 /nfs/dbraw/zinc/83/11/48/572831148.db2.gz MFQBVWKVRDQHSD-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CO)C1 308142793 572831153 /nfs/dbraw/zinc/83/11/53/572831153.db2.gz MFQBVWKVRDQHSD-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@H+]1CC[C@@H](CN[C@H](C)CO)C1 308142793 572831156 /nfs/dbraw/zinc/83/11/56/572831156.db2.gz MFQBVWKVRDQHSD-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO COC1CC(N2CCC[NH2+]CCC2)C1 234609501 572831291 /nfs/dbraw/zinc/83/12/91/572831291.db2.gz VKDWCLUYKANYBL-UHFFFAOYSA-N 1 3 198.310 0.849 10 0 ACAEHO COC1CC([NH+]2CCCNCCC2)C1 234609501 572831294 /nfs/dbraw/zinc/83/12/94/572831294.db2.gz VKDWCLUYKANYBL-UHFFFAOYSA-N 1 3 198.310 0.849 10 0 ACAEHO Cc1cccc(C(CN)C[NH3+])c1 71495804 572831736 /nfs/dbraw/zinc/83/17/36/572831736.db2.gz UBZGGPJTZHWIDN-UHFFFAOYSA-N 1 3 164.252 0.996 10 0 ACAEHO C[C@]1(CO)CCC[N@@H+]1C1CCNCC1 118283098 572832250 /nfs/dbraw/zinc/83/22/50/572832250.db2.gz GLAXWGKPLIVTNJ-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@]1(CO)CCC[N@H+]1C1CCNCC1 118283098 572832254 /nfs/dbraw/zinc/83/22/54/572832254.db2.gz GLAXWGKPLIVTNJ-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO CCN1CC[C@H](C[NH2+][C@H](C)CO)C1 308142790 572832910 /nfs/dbraw/zinc/83/29/10/572832910.db2.gz MFQBVWKVRDQHSD-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@@H+]1CC[C@H](CN[C@H](C)CO)C1 308142790 572832913 /nfs/dbraw/zinc/83/29/13/572832913.db2.gz MFQBVWKVRDQHSD-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@H+]1CC[C@H](CN[C@H](C)CO)C1 308142790 572832916 /nfs/dbraw/zinc/83/29/16/572832916.db2.gz MFQBVWKVRDQHSD-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCNC[C@H](C)C1 299893546 572834122 /nfs/dbraw/zinc/83/41/22/572834122.db2.gz MFOFDHAYNWWKJF-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO Cc1nccn1CC[NH2+][C@@H](C)CN 308142532 572833712 /nfs/dbraw/zinc/83/37/12/572833712.db2.gz MEXCRKCOJQRODF-QMMMGPOBSA-N 1 3 182.271 0.128 10 0 ACAEHO Cc1nccn1CCN[C@@H](C)C[NH3+] 308142532 572833714 /nfs/dbraw/zinc/83/37/14/572833714.db2.gz MEXCRKCOJQRODF-QMMMGPOBSA-N 1 3 182.271 0.128 10 0 ACAEHO Cc1ccc(C(CN)C[NH3+])cc1 71495805 572833948 /nfs/dbraw/zinc/83/39/48/572833948.db2.gz PKAUHIGRNVVEDJ-UHFFFAOYSA-N 1 3 164.252 0.996 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCNC[C@H](C)C1 299893546 572834117 /nfs/dbraw/zinc/83/41/17/572834117.db2.gz MFOFDHAYNWWKJF-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCNC[C@H](C)C1 299893547 572834912 /nfs/dbraw/zinc/83/49/12/572834912.db2.gz MFOFDHAYNWWKJF-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H]1C[NH2+]CCN(CCN(C)C)C1 71499708 572835775 /nfs/dbraw/zinc/83/57/75/572835775.db2.gz ABSDCYIUFOCLOE-SNVBAGLBSA-N 1 3 185.315 0.089 10 0 ACAEHO FCCCCNC[C@@H]1CC[NH2+]C1 307956907 572835917 /nfs/dbraw/zinc/83/59/17/572835917.db2.gz GNTAUOHJAGWBHA-VIFPVBQESA-N 1 3 174.263 0.935 10 0 ACAEHO CC(C)(O)CCN[C@@H]1CC[C@H]([NH3+])C1 308143499 572836065 /nfs/dbraw/zinc/83/60/65/572836065.db2.gz MQTQGEYEYMRSOR-DTWKUNHWSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(O)CC[NH2+][C@@H]1CC[C@H](N)C1 308143499 572836070 /nfs/dbraw/zinc/83/60/70/572836070.db2.gz MQTQGEYEYMRSOR-DTWKUNHWSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)[C@@](C)(O)CN[C@@H](C)C[NH3+] 307957070 572836133 /nfs/dbraw/zinc/83/61/33/572836133.db2.gz GPSNLURWTSWKOZ-IUCAKERBSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CC[C@@](C)(CN)C1 308142914 572836259 /nfs/dbraw/zinc/83/62/59/572836259.db2.gz MLPZLJVBKXTWCB-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CC[N@H+]1CC[C@@](C)(CN)C1 308142914 572836263 /nfs/dbraw/zinc/83/62/63/572836263.db2.gz MLPZLJVBKXTWCB-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CC[C@](C)(CN)C1 308143401 572836345 /nfs/dbraw/zinc/83/63/45/572836345.db2.gz MLPZLJVBKXTWCB-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CC[N@H+]1CC[C@](C)(CN)C1 308143401 572836349 /nfs/dbraw/zinc/83/63/49/572836349.db2.gz MLPZLJVBKXTWCB-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+]CCCO[C@H]1CCN(C)C1 307956853 572836362 /nfs/dbraw/zinc/83/63/62/572836362.db2.gz GKSQKFMQNYENQD-VIFPVBQESA-N 1 3 172.272 0.317 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1N(C)CCC[NH3+] 308143165 572836433 /nfs/dbraw/zinc/83/64/33/572836433.db2.gz VZYLJPGWEJIANC-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)[C@@](C)(O)CN[C@H](C)C[NH3+] 307957068 572836469 /nfs/dbraw/zinc/83/64/69/572836469.db2.gz GPSNLURWTSWKOZ-BDAKNGLRSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H]1C[NH2+]CCN(CCN(C)C)C1 71499710 572838106 /nfs/dbraw/zinc/83/81/06/572838106.db2.gz ABSDCYIUFOCLOE-JTQLQIEISA-N 1 3 185.315 0.089 10 0 ACAEHO CO[C@@H]1CCC[C@H]1N(C)CCC[NH3+] 308143163 572836769 /nfs/dbraw/zinc/83/67/69/572836769.db2.gz VZYLJPGWEJIANC-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(O)CCN[C@H]1CC[C@@H]([NH3+])C1 308143498 572836966 /nfs/dbraw/zinc/83/69/66/572836966.db2.gz MQTQGEYEYMRSOR-BDAKNGLRSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(O)CC[NH2+][C@H]1CC[C@@H](N)C1 308143498 572836969 /nfs/dbraw/zinc/83/69/69/572836969.db2.gz MQTQGEYEYMRSOR-BDAKNGLRSA-N 1 3 186.299 0.617 10 0 ACAEHO C[NH2+]CC1(O)CCN(C2CC2)CC1 71499553 572837017 /nfs/dbraw/zinc/83/70/17/572837017.db2.gz QICNUCXINOFLKV-UHFFFAOYSA-N 1 3 184.283 0.195 10 0 ACAEHO CCCCN1CCO[C@@H](CC[NH3+])C1 71499848 572837056 /nfs/dbraw/zinc/83/70/56/572837056.db2.gz LNUIUFMSIYNOMQ-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CC[C@@H](C[NH2+]C[C@H](C)CN)OC 308143521 572837557 /nfs/dbraw/zinc/83/75/57/572837557.db2.gz IPUPWRMYRZHTDH-BDAKNGLRSA-N 1 3 174.288 0.596 10 0 ACAEHO CC[C@@H](CNC[C@H](C)C[NH3+])OC 308143521 572837559 /nfs/dbraw/zinc/83/75/59/572837559.db2.gz IPUPWRMYRZHTDH-BDAKNGLRSA-N 1 3 174.288 0.596 10 0 ACAEHO CC(C)(O)CCN[C@H]1CC[C@H]([NH3+])C1 308143500 572837853 /nfs/dbraw/zinc/83/78/53/572837853.db2.gz MQTQGEYEYMRSOR-IUCAKERBSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(O)CC[NH2+][C@H]1CC[C@H](N)C1 308143500 572837856 /nfs/dbraw/zinc/83/78/56/572837856.db2.gz MQTQGEYEYMRSOR-IUCAKERBSA-N 1 3 186.299 0.617 10 0 ACAEHO FCCCCNC[C@H]1CC[NH2+]C1 307956905 572837982 /nfs/dbraw/zinc/83/79/82/572837982.db2.gz GNTAUOHJAGWBHA-SECBINFHSA-N 1 3 174.263 0.935 10 0 ACAEHO CO[C@H]1CCCN(C[C@H](C)C(N)=[NH2+])C1 299919155 572838170 /nfs/dbraw/zinc/83/81/70/572838170.db2.gz WCRBNLLRQCDRIK-IUCAKERBSA-N 1 3 199.298 0.669 10 0 ACAEHO C[C@@H](O)CC[N@H+]1CC[C@@](C)(CN)C1 308143402 572838321 /nfs/dbraw/zinc/83/83/21/572838321.db2.gz MLPZLJVBKXTWCB-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](O)CC[N@@H+]1CC[C@@](C)(CN)C1 308143402 572838317 /nfs/dbraw/zinc/83/83/17/572838317.db2.gz MLPZLJVBKXTWCB-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+]CCCO[C@@H]1CCN(C)C1 307956850 572838743 /nfs/dbraw/zinc/83/87/43/572838743.db2.gz GKSQKFMQNYENQD-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CC(C)[C@](C)(O)CN[C@H](C)C[NH3+] 307957071 572838717 /nfs/dbraw/zinc/83/87/17/572838717.db2.gz GPSNLURWTSWKOZ-RKDXNWHRSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@H](O)C(C)(C)[NH2+]C[C@H](C)CN 307957409 572839230 /nfs/dbraw/zinc/83/92/30/572839230.db2.gz HDOCBAVJTJIRJF-SFYZADRCSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@@H](CN)C[NH2+]C(C)(C)CCO 307957404 572839054 /nfs/dbraw/zinc/83/90/54/572839054.db2.gz HCUDONNZUIOPLP-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H](CN)C[NH2+]C(C)(C)[C@@H](C)O 307957408 572839180 /nfs/dbraw/zinc/83/91/80/572839180.db2.gz HDOCBAVJTJIRJF-JGVFFNPUSA-N 1 3 174.288 0.330 10 0 ACAEHO CO[C@@H]1CCCN(C[C@H](C)C(N)=[NH2+])C1 299919154 572839211 /nfs/dbraw/zinc/83/92/11/572839211.db2.gz WCRBNLLRQCDRIK-DTWKUNHWSA-N 1 3 199.298 0.669 10 0 ACAEHO C[C@H](CN)C[NH2+]C(C)(C)CCO 307957403 572839869 /nfs/dbraw/zinc/83/98/69/572839869.db2.gz HCUDONNZUIOPLP-MRVPVSSYSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H](CN)C[NH2+]C(C)(C)[C@@H](C)O 307957407 572840022 /nfs/dbraw/zinc/84/00/22/572840022.db2.gz HDOCBAVJTJIRJF-HTQZYQBOSA-N 1 3 174.288 0.330 10 0 ACAEHO C[C@@H]1CN(C[C@H]([NH3+])CCO)C[C@@H]1C 86009220 572841430 /nfs/dbraw/zinc/84/14/30/572841430.db2.gz PBMPOBDXCDRFGN-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO CN(C)CCN1CCC=C[C@H]1C[NH3+] 75414496 572842127 /nfs/dbraw/zinc/84/21/27/572842127.db2.gz GLEHXMZBPDZKNQ-JTQLQIEISA-N 1 3 183.299 0.137 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1N(C)CCN(C)C 308150703 572842566 /nfs/dbraw/zinc/84/25/66/572842566.db2.gz QOGZRMGJTIJMNU-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CN(C)C/C=C\c1nnc(CC[NH3+])o1 714563402 572842705 /nfs/dbraw/zinc/84/27/05/572842705.db2.gz HMXIXOXIPKKUJP-ARJAWSKDSA-N 1 3 196.254 0.146 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1N(C)CCN(C)C 308150702 572842943 /nfs/dbraw/zinc/84/29/43/572842943.db2.gz QOGZRMGJTIJMNU-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN(C)CCN1CCC=C[C@@H]1C[NH3+] 75414494 572843075 /nfs/dbraw/zinc/84/30/75/572843075.db2.gz GLEHXMZBPDZKNQ-SNVBAGLBSA-N 1 3 183.299 0.137 10 0 ACAEHO C[C@@H]1CN(C[C@H]([NH3+])CCO)C[C@H]1C 86009224 572843194 /nfs/dbraw/zinc/84/31/94/572843194.db2.gz PBMPOBDXCDRFGN-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO CO[C@H](C)CCNC1CC([NH3+])C1 308153672 572849503 /nfs/dbraw/zinc/84/95/03/572849503.db2.gz NSMMKKBSYRPOET-AFPNSQJFSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H]1[NH2+]CC[C@@H]1N(C)CCN(C)C 308150705 572843565 /nfs/dbraw/zinc/84/35/65/572843565.db2.gz QOGZRMGJTIJMNU-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO COC1CC(N2CC[C@@H](C[NH3+])C2)C1 234615290 572845174 /nfs/dbraw/zinc/84/51/74/572845174.db2.gz JMWTXNXFJFSBSQ-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO COC1CC([N@@H+]2CC[C@@H](CN)C2)C1 234615290 572845176 /nfs/dbraw/zinc/84/51/76/572845176.db2.gz JMWTXNXFJFSBSQ-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO CCOCC[N@H+](C)[C@@H](CC)CN 87976281 572846624 /nfs/dbraw/zinc/84/66/24/572846624.db2.gz FYGOTWLYSSSABW-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CCOCC[N@@H+](C)[C@@H](CC)CN 87976281 572846629 /nfs/dbraw/zinc/84/66/29/572846629.db2.gz FYGOTWLYSSSABW-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CCOCC[N@H+](C)[C@H](CC)CN 87976284 572846987 /nfs/dbraw/zinc/84/69/87/572846987.db2.gz FYGOTWLYSSSABW-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CCOCC[N@@H+](C)[C@H](CC)CN 87976284 572846993 /nfs/dbraw/zinc/84/69/93/572846993.db2.gz FYGOTWLYSSSABW-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CCOCCN(C)C/C=C/C[NH3+] 87977768 572847898 /nfs/dbraw/zinc/84/78/98/572847898.db2.gz FGFUHNGUPWRTBM-SNAWJCMRSA-N 1 3 172.272 0.470 10 0 ACAEHO CCC[NH2+]C[C@@H](O)CCN1CCC1 308145117 572848470 /nfs/dbraw/zinc/84/84/70/572848470.db2.gz XLVGKZXBQFABDX-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CCOCCN(C)CCCC(N)=[NH2+] 87977799 572848893 /nfs/dbraw/zinc/84/88/93/572848893.db2.gz GRACYOXIHBJXEV-UHFFFAOYSA-N 1 3 187.287 0.671 10 0 ACAEHO CCC[NH2+]C[C@H](O)CCN1CCC1 308145119 572849331 /nfs/dbraw/zinc/84/93/31/572849331.db2.gz XLVGKZXBQFABDX-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CO[C@H](C)CC[NH2+]C1CC(N)C1 308153672 572849502 /nfs/dbraw/zinc/84/95/02/572849502.db2.gz NSMMKKBSYRPOET-AFPNSQJFSA-N 1 3 172.272 0.491 10 0 ACAEHO CC[C@@H](CNCC[C@@H](C)[NH3+])OC 308145123 572849514 /nfs/dbraw/zinc/84/95/14/572849514.db2.gz JOKPMFKGFMZHBI-BDAKNGLRSA-N 1 3 174.288 0.738 10 0 ACAEHO NCC[NH2+]CCN1CCCCCCC1 238588015 572849781 /nfs/dbraw/zinc/84/97/81/572849781.db2.gz ZETPJENHVURPJC-UHFFFAOYSA-N 1 3 199.342 0.801 10 0 ACAEHO CCOCCN(C)C[C@H](CC)C[NH3+] 87977925 572849990 /nfs/dbraw/zinc/84/99/90/572849990.db2.gz BTQJUFWGPNBKSC-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CC[C@H](CNCC[C@H](C)[NH3+])OC 308145127 572850255 /nfs/dbraw/zinc/85/02/55/572850255.db2.gz JOKPMFKGFMZHBI-DTWKUNHWSA-N 1 3 174.288 0.738 10 0 ACAEHO CCOCC(C)(C)C[NH2+]CCCN 308144962 572850356 /nfs/dbraw/zinc/85/03/56/572850356.db2.gz NKALUBADNPYKQQ-UHFFFAOYSA-N 1 3 188.315 0.988 10 0 ACAEHO CC(C)OCCN(C)C/C=C/C[NH3+] 87977770 572850451 /nfs/dbraw/zinc/85/04/51/572850451.db2.gz WLQNQSFDOWXXOK-SNAWJCMRSA-N 1 3 186.299 0.858 10 0 ACAEHO CCOCCN(C)C[C@@H](CC)C[NH3+] 87977924 572850509 /nfs/dbraw/zinc/85/05/09/572850509.db2.gz BTQJUFWGPNBKSC-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CO[C@@H](C)CC[NH2+]C1CC(N)C1 308153677 572850775 /nfs/dbraw/zinc/85/07/75/572850775.db2.gz NSMMKKBSYRPOET-UEJVZZJDSA-N 1 3 172.272 0.491 10 0 ACAEHO CO[C@@H](C)CCNC1CC([NH3+])C1 308153677 572850778 /nfs/dbraw/zinc/85/07/78/572850778.db2.gz NSMMKKBSYRPOET-UEJVZZJDSA-N 1 3 172.272 0.491 10 0 ACAEHO CC[C@H](CNCC[C@@H](C)[NH3+])OC 308145135 572851182 /nfs/dbraw/zinc/85/11/82/572851182.db2.gz JOKPMFKGFMZHBI-RKDXNWHRSA-N 1 3 174.288 0.738 10 0 ACAEHO CCOCCN(C)[C@H](C)[C@@H](C)C[NH3+] 87979592 572851231 /nfs/dbraw/zinc/85/12/31/572851231.db2.gz QLOVMCMRRKNMNZ-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[C@@H](CNCC[C@H](C)[NH3+])OC 308145131 572851334 /nfs/dbraw/zinc/85/13/34/572851334.db2.gz JOKPMFKGFMZHBI-IUCAKERBSA-N 1 3 174.288 0.738 10 0 ACAEHO CCOCCN(C)[C@@H](C)[C@@H](C)C[NH3+] 87979591 572851420 /nfs/dbraw/zinc/85/14/20/572851420.db2.gz QLOVMCMRRKNMNZ-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@@](O)(C[NH2+]CCCN)C1CC1 307963707 572851881 /nfs/dbraw/zinc/85/18/81/572851881.db2.gz PACDKDDFERAHLO-SECBINFHSA-N 1 3 172.272 0.086 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N(C)CCCO 308145664 572852072 /nfs/dbraw/zinc/85/20/72/572852072.db2.gz YARVMTJKVMHWHF-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H]1CNCC[C@H]1[N@H+](C)CCCO 308145664 572852076 /nfs/dbraw/zinc/85/20/76/572852076.db2.gz YARVMTJKVMHWHF-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H]1CNCC[C@H]1[N@@H+](C)CCCO 308145664 572852078 /nfs/dbraw/zinc/85/20/78/572852078.db2.gz YARVMTJKVMHWHF-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H]1OCC[C@H]1C[NH2+]CC1CNC1 235364605 572852809 /nfs/dbraw/zinc/85/28/09/572852809.db2.gz QDBANPQVUSYKCR-WPRPVWTQSA-N 1 3 184.283 0.220 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1N(C)CCCO 308145663 572852831 /nfs/dbraw/zinc/85/28/31/572852831.db2.gz YARVMTJKVMHWHF-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[N@H+](C)CCCO 308145663 572852834 /nfs/dbraw/zinc/85/28/34/572852834.db2.gz YARVMTJKVMHWHF-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[N@@H+](C)CCCO 308145663 572852837 /nfs/dbraw/zinc/85/28/37/572852837.db2.gz YARVMTJKVMHWHF-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[N@@H+]1C[C@@H]2C[C@@H]3NCCO[C@@H]3C[C@H]2C1 257584134 572852970 /nfs/dbraw/zinc/85/29/70/572852970.db2.gz BHNAYEJPSCAKQX-XWLWVQCSSA-N 1 3 196.294 0.315 10 0 ACAEHO C[N@H+]1C[C@@H]2C[C@@H]3NCCO[C@@H]3C[C@H]2C1 257584134 572852973 /nfs/dbraw/zinc/85/29/73/572852973.db2.gz BHNAYEJPSCAKQX-XWLWVQCSSA-N 1 3 196.294 0.315 10 0 ACAEHO C[N@@H+]1C[C@@H]2C[C@@H]3NCCO[C@H]3C[C@H]2C1 257584132 572853097 /nfs/dbraw/zinc/85/30/97/572853097.db2.gz BHNAYEJPSCAKQX-NAKRPEOUSA-N 1 3 196.294 0.315 10 0 ACAEHO C[N@H+]1C[C@@H]2C[C@@H]3NCCO[C@H]3C[C@H]2C1 257584132 572853101 /nfs/dbraw/zinc/85/31/01/572853101.db2.gz BHNAYEJPSCAKQX-NAKRPEOUSA-N 1 3 196.294 0.315 10 0 ACAEHO CC(C)(N)C[NH2+]CCN1CCCC1 308145732 572853115 /nfs/dbraw/zinc/85/31/15/572853115.db2.gz YKBOIJWYULOSNV-UHFFFAOYSA-N 1 3 185.315 0.409 10 0 ACAEHO CC(C)([NH3+])CNCCN1CCCC1 308145732 572853119 /nfs/dbraw/zinc/85/31/19/572853119.db2.gz YKBOIJWYULOSNV-UHFFFAOYSA-N 1 3 185.315 0.409 10 0 ACAEHO C[N@H+]1C[C@H]2C[C@H]3OCCN[C@H]3C[C@H]2C1 257584135 572853132 /nfs/dbraw/zinc/85/31/32/572853132.db2.gz BHNAYEJPSCAKQX-ZRUFSTJUSA-N 1 3 196.294 0.315 10 0 ACAEHO C[N@@H+]1C[C@H]2C[C@H]3OCCN[C@H]3C[C@H]2C1 257584135 572853136 /nfs/dbraw/zinc/85/31/36/572853136.db2.gz BHNAYEJPSCAKQX-ZRUFSTJUSA-N 1 3 196.294 0.315 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@H+](C)CCCO 308145661 572853803 /nfs/dbraw/zinc/85/38/03/572853803.db2.gz YARVMTJKVMHWHF-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@@H+](C)CCCO 308145661 572853806 /nfs/dbraw/zinc/85/38/06/572853806.db2.gz YARVMTJKVMHWHF-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCOCCN(C)[C@H]1CC[C@@H]1C[NH3+] 87979596 572853808 /nfs/dbraw/zinc/85/38/08/572853808.db2.gz QROGVAPWOHEKKH-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N(C)CCCO 308145661 572853800 /nfs/dbraw/zinc/85/38/00/572853800.db2.gz YARVMTJKVMHWHF-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCC[C@H](O)C[NH2+]C[C@H](C)CN 307961250 572853655 /nfs/dbraw/zinc/85/36/55/572853655.db2.gz LNRMBCJQTAROAM-BDAKNGLRSA-N 1 3 174.288 0.332 10 0 ACAEHO CCC[C@H](O)CNC[C@H](C)C[NH3+] 307961250 572853659 /nfs/dbraw/zinc/85/36/59/572853659.db2.gz LNRMBCJQTAROAM-BDAKNGLRSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@](O)(C[NH2+]CCCN)C1CC1 307963708 572853830 /nfs/dbraw/zinc/85/38/30/572853830.db2.gz PACDKDDFERAHLO-VIFPVBQESA-N 1 3 172.272 0.086 10 0 ACAEHO C[N@H+]1C[C@H]2C[C@@H]3OCCN[C@H]3C[C@H]2C1 257584133 572853858 /nfs/dbraw/zinc/85/38/58/572853858.db2.gz BHNAYEJPSCAKQX-VLEAKVRGSA-N 1 3 196.294 0.315 10 0 ACAEHO C[N@@H+]1C[C@H]2C[C@@H]3OCCN[C@H]3C[C@H]2C1 257584133 572853863 /nfs/dbraw/zinc/85/38/63/572853863.db2.gz BHNAYEJPSCAKQX-VLEAKVRGSA-N 1 3 196.294 0.315 10 0 ACAEHO CC(C)([NH3+])CCNCCC(C)(C)O 308145526 572853891 /nfs/dbraw/zinc/85/38/91/572853891.db2.gz NRWMPFCBTBKYDW-UHFFFAOYSA-N 1 3 188.315 0.864 10 0 ACAEHO CCOCCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87979595 572854013 /nfs/dbraw/zinc/85/40/13/572854013.db2.gz QROGVAPWOHEKKH-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CCC[C@@H](O)C[NH2+]C[C@H](C)CN 307961255 572854104 /nfs/dbraw/zinc/85/41/04/572854104.db2.gz LNRMBCJQTAROAM-RKDXNWHRSA-N 1 3 174.288 0.332 10 0 ACAEHO CCC[C@@H](O)CNC[C@H](C)C[NH3+] 307961255 572854106 /nfs/dbraw/zinc/85/41/06/572854106.db2.gz LNRMBCJQTAROAM-RKDXNWHRSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N(C)CCCO 308145665 572854182 /nfs/dbraw/zinc/85/41/82/572854182.db2.gz YARVMTJKVMHWHF-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@H+](C)CCCO 308145665 572854183 /nfs/dbraw/zinc/85/41/83/572854183.db2.gz YARVMTJKVMHWHF-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@@H+](C)CCCO 308145665 572854186 /nfs/dbraw/zinc/85/41/86/572854186.db2.gz YARVMTJKVMHWHF-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)[C@H](CCO)NCC(C)(C)[NH3+] 308146256 572854640 /nfs/dbraw/zinc/85/46/40/572854640.db2.gz YROHHWUWCICXFO-VIFPVBQESA-N 1 3 188.315 0.720 10 0 ACAEHO C[NH+](C)CC[C@H](O)c1ccc(CN)[nH]1 75454394 572855174 /nfs/dbraw/zinc/85/51/74/572855174.db2.gz OGPWCFFXKJGTLK-JTQLQIEISA-N 1 3 197.282 0.459 10 0 ACAEHO C[NH+](C)CC[C@@H](O)c1ccc(CN)[nH]1 75454402 572855275 /nfs/dbraw/zinc/85/52/75/572855275.db2.gz OGPWCFFXKJGTLK-SNVBAGLBSA-N 1 3 197.282 0.459 10 0 ACAEHO CN1CC[C@@H](OCCCC[NH3+])C1 307961601 572855540 /nfs/dbraw/zinc/85/55/40/572855540.db2.gz MCNFXICYLLFXFV-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CN1CCO[C@@H]2C[C@@H]3C[NH2+]C[C@H]3C[C@@H]21 257584316 572855627 /nfs/dbraw/zinc/85/56/27/572855627.db2.gz FRSIISXWBIGYOV-CHWFTXMASA-N 1 3 196.294 0.315 10 0 ACAEHO CN1CC[C@H](OCCCC[NH3+])C1 307961602 572855940 /nfs/dbraw/zinc/85/59/40/572855940.db2.gz MCNFXICYLLFXFV-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)[C@@H](C[NH3+])N1CCC[C@H]1CO 257584336 572856061 /nfs/dbraw/zinc/85/60/61/572856061.db2.gz XSEXDSUDNWCZLH-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO COC[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C 308146792 572857442 /nfs/dbraw/zinc/85/74/42/572857442.db2.gz ZJCPIFZHXAZORN-UTLUCORTSA-N 1 3 186.299 0.609 10 0 ACAEHO COC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C 308146792 572857444 /nfs/dbraw/zinc/85/74/44/572857444.db2.gz ZJCPIFZHXAZORN-UTLUCORTSA-N 1 3 186.299 0.609 10 0 ACAEHO CN1CCO[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3C[C@@H]21 257584329 572857507 /nfs/dbraw/zinc/85/75/07/572857507.db2.gz FRSIISXWBIGYOV-ZRUFSTJUSA-N 1 3 196.294 0.315 10 0 ACAEHO CN1CCO[C@@H]2C[C@@H]3C[NH2+]C[C@H]3C[C@H]21 257584320 572857705 /nfs/dbraw/zinc/85/77/05/572857705.db2.gz FRSIISXWBIGYOV-GWOFURMSSA-N 1 3 196.294 0.315 10 0 ACAEHO CC[N@@H+]1CC[C@@H](N)[C@H](OC)C1 75543872 572857726 /nfs/dbraw/zinc/85/77/26/572857726.db2.gz NIYJJCYLWVECAO-HTQZYQBOSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[N@H+]1CC[C@@H](N)[C@H](OC)C1 75543872 572857730 /nfs/dbraw/zinc/85/77/30/572857730.db2.gz NIYJJCYLWVECAO-HTQZYQBOSA-N 1 3 158.245 0.054 10 0 ACAEHO COC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C 308146789 572857803 /nfs/dbraw/zinc/85/78/03/572857803.db2.gz ZJCPIFZHXAZORN-GUBZILKMSA-N 1 3 186.299 0.609 10 0 ACAEHO COC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C 308146789 572857809 /nfs/dbraw/zinc/85/78/09/572857809.db2.gz ZJCPIFZHXAZORN-GUBZILKMSA-N 1 3 186.299 0.609 10 0 ACAEHO CC(C)[C@H](C[NH3+])N1CCC[C@H]1CO 257584333 572858106 /nfs/dbraw/zinc/85/81/06/572858106.db2.gz XSEXDSUDNWCZLH-UWVGGRQHSA-N 1 3 186.299 0.426 10 0 ACAEHO CN1CCO[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3C[C@H]21 257584325 572858449 /nfs/dbraw/zinc/85/84/49/572858449.db2.gz FRSIISXWBIGYOV-LNFKQOIKSA-N 1 3 196.294 0.315 10 0 ACAEHO COC[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C 308146791 572858454 /nfs/dbraw/zinc/85/84/54/572858454.db2.gz ZJCPIFZHXAZORN-LPEHRKFASA-N 1 3 186.299 0.609 10 0 ACAEHO COC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C 308146791 572858455 /nfs/dbraw/zinc/85/84/55/572858455.db2.gz ZJCPIFZHXAZORN-LPEHRKFASA-N 1 3 186.299 0.609 10 0 ACAEHO CC[N@@H+]1CC[C@H](N)[C@H](OC)C1 75543870 572858486 /nfs/dbraw/zinc/85/84/86/572858486.db2.gz NIYJJCYLWVECAO-JGVFFNPUSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[N@H+]1CC[C@H](N)[C@H](OC)C1 75543870 572858488 /nfs/dbraw/zinc/85/84/88/572858488.db2.gz NIYJJCYLWVECAO-JGVFFNPUSA-N 1 3 158.245 0.054 10 0 ACAEHO C[C@H](CC(C)(C)[NH3+])NCCO 75544746 572859926 /nfs/dbraw/zinc/85/99/26/572859926.db2.gz DVTVHIGAZPUNKM-SSDOTTSWSA-N 1 3 160.261 0.084 10 0 ACAEHO C[C@@H](CC(C)(C)[NH3+])NCCO 75544741 572860055 /nfs/dbraw/zinc/86/00/55/572860055.db2.gz DVTVHIGAZPUNKM-ZETCQYMHSA-N 1 3 160.261 0.084 10 0 ACAEHO CO[C@@H]1CCCN([C@H](C)CC(N)=[NH2+])C1 299921133 572860221 /nfs/dbraw/zinc/86/02/21/572860221.db2.gz ZDJYZJRFEIYCPQ-RKDXNWHRSA-N 1 3 199.298 0.812 10 0 ACAEHO CO[C@H]1CCCN([C@H](C)CC(N)=[NH2+])C1 299921132 572860526 /nfs/dbraw/zinc/86/05/26/572860526.db2.gz ZDJYZJRFEIYCPQ-BDAKNGLRSA-N 1 3 199.298 0.812 10 0 ACAEHO CNC[C@H](C)C[NH2+]C1CCC1 86070663 572864430 /nfs/dbraw/zinc/86/44/30/572864430.db2.gz QVAWDVQQVXHKHT-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]C[C@H](C)CNC1CCC1 86070663 572864434 /nfs/dbraw/zinc/86/44/34/572864434.db2.gz QVAWDVQQVXHKHT-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO COC1CC(N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 234615944 572861282 /nfs/dbraw/zinc/86/12/82/572861282.db2.gz OCOJNQRLNCTOKD-NKVNRFPTSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC(N2CC[C@H]([C@@H](C)[NH3+])C2)C1 234617122 572864477 /nfs/dbraw/zinc/86/44/77/572864477.db2.gz OCOJNQRLNCTOKD-MFQSTILNSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC(N2CC[C@H](C[NH3+])C2)C1 234616656 572861574 /nfs/dbraw/zinc/86/15/74/572861574.db2.gz JMWTXNXFJFSBSQ-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO COC1CC([N@@H+]2CC[C@H](CN)C2)C1 234616656 572861578 /nfs/dbraw/zinc/86/15/78/572861578.db2.gz JMWTXNXFJFSBSQ-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO COC1CC([N@H+]2CC[C@H](CN)C2)C1 234616656 572861582 /nfs/dbraw/zinc/86/15/82/572861582.db2.gz JMWTXNXFJFSBSQ-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO COC1CC(N2CC[C@H]([NH3+])C[C@@H]2C)C1 234616904 572861930 /nfs/dbraw/zinc/86/19/30/572861930.db2.gz LYPVRBAEMLLABL-SAAXCQNUSA-N 1 3 198.310 0.975 10 0 ACAEHO COC1CC(N2CC[C@@H]([NH3+])C[C@@H]2C)C1 234615641 572862846 /nfs/dbraw/zinc/86/28/46/572862846.db2.gz LYPVRBAEMLLABL-IZUQBHJASA-N 1 3 198.310 0.975 10 0 ACAEHO [NH3+]C[C@@H](CC1CC1)N1CCC[C@@H]1CO 257586380 572863259 /nfs/dbraw/zinc/86/32/59/572863259.db2.gz YRBGVGNZIKRYIP-GHMZBOCLSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@H]1C[C@@H](Nc2nccn2C)CC[NH2+]1 235370037 572863589 /nfs/dbraw/zinc/86/35/89/572863589.db2.gz RMPDUUPZMZVTBX-BDAKNGLRSA-N 1 3 194.282 0.973 10 0 ACAEHO CNC[C@@H](C)C[NH2+]C[C@H]1CCOC1 86070701 572864517 /nfs/dbraw/zinc/86/45/17/572864517.db2.gz NZJVIGQLHOAOAE-NXEZZACHSA-N 1 3 186.299 0.468 10 0 ACAEHO CNC[C@H](C)C[NH2+]C[C@H]1CCOC1 86070700 572864630 /nfs/dbraw/zinc/86/46/30/572864630.db2.gz NZJVIGQLHOAOAE-VHSXEESVSA-N 1 3 186.299 0.468 10 0 ACAEHO C[C@@H]1SCC[C@H]1[NH2+]CCCN 235371619 572864633 /nfs/dbraw/zinc/86/46/33/572864633.db2.gz KBNWLRDGMXRGIG-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1SCC[C@H]1NCCC[NH3+] 235371619 572864637 /nfs/dbraw/zinc/86/46/37/572864637.db2.gz KBNWLRDGMXRGIG-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO [NH3+]C[C@@H](CC1CC1)N1CCC[C@H]1CO 257586381 572864789 /nfs/dbraw/zinc/86/47/89/572864789.db2.gz YRBGVGNZIKRYIP-WDEREUQCSA-N 1 3 198.310 0.571 10 0 ACAEHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H]1C 86070675 572865111 /nfs/dbraw/zinc/86/51/11/572865111.db2.gz DGGPCXRVGURSOY-XHNCKOQMSA-N 1 3 156.273 0.840 10 0 ACAEHO CNC[C@H](C)C[NH2+][C@@H]1C[C@@H]1C 86070675 572865113 /nfs/dbraw/zinc/86/51/13/572865113.db2.gz DGGPCXRVGURSOY-XHNCKOQMSA-N 1 3 156.273 0.840 10 0 ACAEHO CNC[C@@H](C)C[NH2+]C1CCC1 86070665 572865149 /nfs/dbraw/zinc/86/51/49/572865149.db2.gz QVAWDVQQVXHKHT-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]C[C@@H](C)CNC1CCC1 86070665 572865151 /nfs/dbraw/zinc/86/51/51/572865151.db2.gz QVAWDVQQVXHKHT-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]C[C@@H](C)CNC[C@H]1CCCO1 86070510 572865247 /nfs/dbraw/zinc/86/52/47/572865247.db2.gz CSDHIOQTLWRVHR-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@H]1C 86070672 572865472 /nfs/dbraw/zinc/86/54/72/572865472.db2.gz DGGPCXRVGURSOY-DJLDLDEBSA-N 1 3 156.273 0.840 10 0 ACAEHO CNC[C@H](C)C[NH2+][C@@H]1C[C@H]1C 86070672 572865474 /nfs/dbraw/zinc/86/54/74/572865474.db2.gz DGGPCXRVGURSOY-DJLDLDEBSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+]C[C@H](C)CNC[C@@H]1CCCO1 86070504 572865481 /nfs/dbraw/zinc/86/54/81/572865481.db2.gz CSDHIOQTLWRVHR-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[NH2+]C[C@@H](C)CNC[C@@H]1CCCO1 86070506 572865823 /nfs/dbraw/zinc/86/58/23/572865823.db2.gz CSDHIOQTLWRVHR-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@@H](CO)NC[C@@H](C)C[NH+](C)C 307965593 572865832 /nfs/dbraw/zinc/86/58/32/572865832.db2.gz QSSPAJIDRYGKEQ-BDAKNGLRSA-N 1 3 174.288 0.155 10 0 ACAEHO C[NH2+]C[C@H](C)CNCCOC 86070682 572865846 /nfs/dbraw/zinc/86/58/46/572865846.db2.gz SZTUHMVXNARHOQ-QMMMGPOBSA-N 1 3 160.261 0.078 10 0 ACAEHO C[NH2+]C[C@H](C)CN[C@H]1C[C@H]1C 86070668 572865967 /nfs/dbraw/zinc/86/59/67/572865967.db2.gz DGGPCXRVGURSOY-YIZRAAEISA-N 1 3 156.273 0.840 10 0 ACAEHO CNC[C@H](C)C[NH2+][C@H]1C[C@H]1C 86070668 572865973 /nfs/dbraw/zinc/86/59/73/572865973.db2.gz DGGPCXRVGURSOY-YIZRAAEISA-N 1 3 156.273 0.840 10 0 ACAEHO CNC[C@@H](C)C[NH2+]C[C@@H]1CCOC1 86070696 572866272 /nfs/dbraw/zinc/86/62/72/572866272.db2.gz NZJVIGQLHOAOAE-ZJUUUORDSA-N 1 3 186.299 0.468 10 0 ACAEHO C[NH2+]C[C@H](C)CNC[C@H]1CCCO1 86070508 572866081 /nfs/dbraw/zinc/86/60/81/572866081.db2.gz CSDHIOQTLWRVHR-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO C[NH2+]C[C@@H](C)CNCCOC 86070684 572866166 /nfs/dbraw/zinc/86/61/66/572866166.db2.gz SZTUHMVXNARHOQ-MRVPVSSYSA-N 1 3 160.261 0.078 10 0 ACAEHO C[NH2+]C[C@H](C)CN[C@H]1C[C@@H]1C 86070670 572866212 /nfs/dbraw/zinc/86/62/12/572866212.db2.gz DGGPCXRVGURSOY-CIUDSAMLSA-N 1 3 156.273 0.840 10 0 ACAEHO CNC[C@H](C)C[NH2+][C@H]1C[C@@H]1C 86070670 572866214 /nfs/dbraw/zinc/86/62/14/572866214.db2.gz DGGPCXRVGURSOY-CIUDSAMLSA-N 1 3 156.273 0.840 10 0 ACAEHO C[N@@H+]1CCc2ncc3c(c2C1)CNC3 75562831 572866233 /nfs/dbraw/zinc/86/62/33/572866233.db2.gz IVRDYCKFIQNSQV-UHFFFAOYSA-N 1 3 189.262 0.673 10 0 ACAEHO C[N@H+]1CCc2ncc3c(c2C1)CNC3 75562831 572866236 /nfs/dbraw/zinc/86/62/36/572866236.db2.gz IVRDYCKFIQNSQV-UHFFFAOYSA-N 1 3 189.262 0.673 10 0 ACAEHO CNC[C@H](C)C[NH2+]C[C@@H]1CCOC1 86070693 572866423 /nfs/dbraw/zinc/86/64/23/572866423.db2.gz NZJVIGQLHOAOAE-UWVGGRQHSA-N 1 3 186.299 0.468 10 0 ACAEHO C[C@@H](CN[C@@H](C)CO)C[NH+](C)C 307965596 572866798 /nfs/dbraw/zinc/86/67/98/572866798.db2.gz QSSPAJIDRYGKEQ-IUCAKERBSA-N 1 3 174.288 0.155 10 0 ACAEHO CSCCC[N@@H+]1CC[C@@H](N)C1 50228033 572867117 /nfs/dbraw/zinc/86/71/17/572867117.db2.gz KUCHHVLEYGMDBZ-MRVPVSSYSA-N 1 3 174.313 0.773 10 0 ACAEHO CSCCC[N@H+]1CC[C@@H](N)C1 50228033 572867121 /nfs/dbraw/zinc/86/71/21/572867121.db2.gz KUCHHVLEYGMDBZ-MRVPVSSYSA-N 1 3 174.313 0.773 10 0 ACAEHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CCO1 235379451 572867562 /nfs/dbraw/zinc/86/75/62/572867562.db2.gz GDTXSVOLKDSLQN-GMTAPVOTSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H](CN[C@H](C)CO)C[NH+](C)C 307965594 572868054 /nfs/dbraw/zinc/86/80/54/572868054.db2.gz QSSPAJIDRYGKEQ-DTWKUNHWSA-N 1 3 174.288 0.155 10 0 ACAEHO CSCCC[N@@H+]1CC[C@H](N)C1 50228032 572868498 /nfs/dbraw/zinc/86/84/98/572868498.db2.gz KUCHHVLEYGMDBZ-QMMMGPOBSA-N 1 3 174.313 0.773 10 0 ACAEHO CSCCC[N@H+]1CC[C@H](N)C1 50228032 572868500 /nfs/dbraw/zinc/86/85/00/572868500.db2.gz KUCHHVLEYGMDBZ-QMMMGPOBSA-N 1 3 174.313 0.773 10 0 ACAEHO [NH3+]CCNCCCOCC1CC1 236259644 572868866 /nfs/dbraw/zinc/86/88/66/572868866.db2.gz WWPWVHVOEUHINF-UHFFFAOYSA-N 1 3 172.272 0.351 10 0 ACAEHO C[NH2+]C[C@@H](O)CN(C)C(C)(C)C 77265600 572868899 /nfs/dbraw/zinc/86/88/99/572868899.db2.gz DFTHDOTYVRYEEQ-MRVPVSSYSA-N 1 3 174.288 0.297 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1c[nH]cn1 257609078 572869377 /nfs/dbraw/zinc/86/93/77/572869377.db2.gz PHIANUBWQZHPOQ-WCBMZHEXSA-N 1 3 194.282 0.231 10 0 ACAEHO [NH3+]CCC[C@@H]1CCN2CCC[C@H]2N1 75576346 572869730 /nfs/dbraw/zinc/86/97/30/572869730.db2.gz BBLBAXQSRZICQF-ZJUUUORDSA-N 1 3 183.299 0.509 10 0 ACAEHO [NH3+]CCC[C@@H]1CCN2CCC[C@@H]2N1 75576345 572870010 /nfs/dbraw/zinc/87/00/10/572870010.db2.gz BBLBAXQSRZICQF-NXEZZACHSA-N 1 3 183.299 0.509 10 0 ACAEHO [NH3+]CCC[C@H]1CCN2CCC[C@@H]2N1 75576347 572870093 /nfs/dbraw/zinc/87/00/93/572870093.db2.gz BBLBAXQSRZICQF-VHSXEESVSA-N 1 3 183.299 0.509 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1c[nH]cn1 257609076 572870134 /nfs/dbraw/zinc/87/01/34/572870134.db2.gz PHIANUBWQZHPOQ-PSASIEDQSA-N 1 3 194.282 0.231 10 0 ACAEHO C[NH2+]C[C@H](O)CN(C)C(C)(C)C 77265605 572870136 /nfs/dbraw/zinc/87/01/36/572870136.db2.gz DFTHDOTYVRYEEQ-QMMMGPOBSA-N 1 3 174.288 0.297 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1c1cc[nH]c1 257609102 572870314 /nfs/dbraw/zinc/87/03/14/572870314.db2.gz QTSFOHQMHDICNH-SCZZXKLOSA-N 1 3 179.267 0.966 10 0 ACAEHO [NH3+]CCC[C@H]1CCN2CCC[C@H]2N1 75576348 572870410 /nfs/dbraw/zinc/87/04/10/572870410.db2.gz BBLBAXQSRZICQF-UWVGGRQHSA-N 1 3 183.299 0.509 10 0 ACAEHO C[C@H]1CC[C@@]1(C[NH3+])N[C@H](C)CCO 308156625 572870418 /nfs/dbraw/zinc/87/04/18/572870418.db2.gz UPPXDSCSOSOYOD-AEJSXWLSSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H]1CC[C@]1(C[NH3+])N[C@H](C)CCO 308156983 572870686 /nfs/dbraw/zinc/87/06/86/572870686.db2.gz UPPXDSCSOSOYOD-IVZWLZJFSA-N 1 3 186.299 0.474 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1c1cc[nH]c1 257609149 572870834 /nfs/dbraw/zinc/87/08/34/572870834.db2.gz QTSFOHQMHDICNH-WPRPVWTQSA-N 1 3 179.267 0.966 10 0 ACAEHO C[C@H](CCO)N[C@]1(C[NH3+])CC[C@H]1C 308156982 572871727 /nfs/dbraw/zinc/87/17/27/572871727.db2.gz UPPXDSCSOSOYOD-BBBLOLIVSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H](CCO)N[C@@]1(C[NH3+])CC[C@H]1C 308156984 572871884 /nfs/dbraw/zinc/87/18/84/572871884.db2.gz UPPXDSCSOSOYOD-OPRDCNLKSA-N 1 3 186.299 0.474 10 0 ACAEHO CC(C)[C@H](O)C[NH2+]C[C@@H](C)CN 307967553 572872072 /nfs/dbraw/zinc/87/20/72/572872072.db2.gz SUOVNJFSHZRKSY-DTWKUNHWSA-N 1 3 174.288 0.188 10 0 ACAEHO CCC[C@H](C[NH3+])NC1CC1 50271244 572872138 /nfs/dbraw/zinc/87/21/38/572872138.db2.gz COAAPQMNWZWVSN-MRVPVSSYSA-N 1 3 142.246 0.866 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1ccc[nH]1 257609016 572873442 /nfs/dbraw/zinc/87/34/42/572873442.db2.gz ITYWRXUFYXVKLU-MWLCHTKSSA-N 1 3 193.294 0.836 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1ncc[nH]1 257608945 572872869 /nfs/dbraw/zinc/87/28/69/572872869.db2.gz BYOHEBRASDCXQL-DTWKUNHWSA-N 1 3 194.282 0.231 10 0 ACAEHO CC(C)[C@H](O)C[NH2+]C[C@H](C)CN 307967556 572873048 /nfs/dbraw/zinc/87/30/48/572873048.db2.gz SUOVNJFSHZRKSY-RKDXNWHRSA-N 1 3 174.288 0.188 10 0 ACAEHO CC[C@@H](C[NH3+])NC1CC1 50271223 572873265 /nfs/dbraw/zinc/87/32/65/572873265.db2.gz FDMOEIUZCCSBJT-LURJTMIESA-N 1 3 128.219 0.476 10 0 ACAEHO CCCN[C@@]1(C[NH3+])CCSC1 50270390 572873328 /nfs/dbraw/zinc/87/33/28/572873328.db2.gz MJVTWMVPBYJYPU-MRVPVSSYSA-N 1 3 174.313 0.820 10 0 ACAEHO CO[C@@H](C)CC[NH2+]C[C@H](C)CN 308155364 572873360 /nfs/dbraw/zinc/87/33/60/572873360.db2.gz OMPNEBMMBZMIQK-BDAKNGLRSA-N 1 3 174.288 0.596 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1ncc[nH]1 257608947 572873424 /nfs/dbraw/zinc/87/34/24/572873424.db2.gz BYOHEBRASDCXQL-RKDXNWHRSA-N 1 3 194.282 0.231 10 0 ACAEHO C[N@@H+]1CC[C@H](CN)[C@H]1Cc1ccc[nH]1 257609016 572873446 /nfs/dbraw/zinc/87/34/46/572873446.db2.gz ITYWRXUFYXVKLU-MWLCHTKSSA-N 1 3 193.294 0.836 10 0 ACAEHO C[N@H+]1CC[C@H](CN)[C@H]1Cc1ccc[nH]1 257609016 572873450 /nfs/dbraw/zinc/87/34/50/572873450.db2.gz ITYWRXUFYXVKLU-MWLCHTKSSA-N 1 3 193.294 0.836 10 0 ACAEHO CC(C)[C@@H](O)C[NH2+]C[C@H](C)CN 307967551 572873749 /nfs/dbraw/zinc/87/37/49/572873749.db2.gz SUOVNJFSHZRKSY-BDAKNGLRSA-N 1 3 174.288 0.188 10 0 ACAEHO CC(C)[C@@H](O)C[NH2+]C[C@@H](C)CN 307967555 572873775 /nfs/dbraw/zinc/87/37/75/572873775.db2.gz SUOVNJFSHZRKSY-IUCAKERBSA-N 1 3 174.288 0.188 10 0 ACAEHO CO[C@@H](C)CC[NH2+]C[C@@H](C)CN 308155374 572873816 /nfs/dbraw/zinc/87/38/16/572873816.db2.gz OMPNEBMMBZMIQK-IUCAKERBSA-N 1 3 174.288 0.596 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1cn[nH]c1 257609035 572874179 /nfs/dbraw/zinc/87/41/79/572874179.db2.gz KFKWGYPLYXAPNF-VHSXEESVSA-N 1 3 194.282 0.231 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1cc[nH]n1 257608943 572874020 /nfs/dbraw/zinc/87/40/20/572874020.db2.gz BVVUGZCVTJUMCP-WCBMZHEXSA-N 1 3 194.282 0.231 10 0 ACAEHO CN[C@H](C[NH3+])CCSC 50270000 572874125 /nfs/dbraw/zinc/87/41/25/572874125.db2.gz ICTFAGJOWLEBNY-LURJTMIESA-N 1 3 148.275 0.286 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1cn[nH]c1 257609032 572874302 /nfs/dbraw/zinc/87/43/02/572874302.db2.gz KFKWGYPLYXAPNF-NXEZZACHSA-N 1 3 194.282 0.231 10 0 ACAEHO CO[C@H](C)CC[NH2+]C[C@@H](C)CN 308155369 572874907 /nfs/dbraw/zinc/87/49/07/572874907.db2.gz OMPNEBMMBZMIQK-DTWKUNHWSA-N 1 3 174.288 0.596 10 0 ACAEHO CCC[C@@H](C[NH3+])NC1CC1 50271243 572874779 /nfs/dbraw/zinc/87/47/79/572874779.db2.gz COAAPQMNWZWVSN-QMMMGPOBSA-N 1 3 142.246 0.866 10 0 ACAEHO CN[C@@H](C[NH3+])CCSC 50270001 572874923 /nfs/dbraw/zinc/87/49/23/572874923.db2.gz ICTFAGJOWLEBNY-ZCFIWIBFSA-N 1 3 148.275 0.286 10 0 ACAEHO CC[C@H](C[NH3+])NC1CC1 50271224 572875006 /nfs/dbraw/zinc/87/50/06/572875006.db2.gz FDMOEIUZCCSBJT-ZCFIWIBFSA-N 1 3 128.219 0.476 10 0 ACAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1Cc1cc[nH]c1 257608898 572875038 /nfs/dbraw/zinc/87/50/38/572875038.db2.gz ACPANPRRLBBUDX-WDEREUQCSA-N 1 3 193.294 0.836 10 0 ACAEHO C[N@H+]1CC[C@@H](CN)[C@H]1Cc1cc[nH]c1 257608898 572875042 /nfs/dbraw/zinc/87/50/42/572875042.db2.gz ACPANPRRLBBUDX-WDEREUQCSA-N 1 3 193.294 0.836 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1cc[nH]c1 257608898 572875045 /nfs/dbraw/zinc/87/50/45/572875045.db2.gz ACPANPRRLBBUDX-WDEREUQCSA-N 1 3 193.294 0.836 10 0 ACAEHO C[N@H+]1CC[C@@H](CN)[C@H]1Cc1ccc[nH]1 257609015 572875910 /nfs/dbraw/zinc/87/59/10/572875910.db2.gz ITYWRXUFYXVKLU-GXSJLCMTSA-N 1 3 193.294 0.836 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1cc[nH]n1 257608941 572875233 /nfs/dbraw/zinc/87/52/33/572875233.db2.gz BVVUGZCVTJUMCP-PSASIEDQSA-N 1 3 194.282 0.231 10 0 ACAEHO CN1CC[C@@H](C[NH3+])[C@H]1Cc1ccc[nH]1 257609015 572875906 /nfs/dbraw/zinc/87/59/06/572875906.db2.gz ITYWRXUFYXVKLU-GXSJLCMTSA-N 1 3 193.294 0.836 10 0 ACAEHO C[N@@H+]1CC[C@@H](CN)[C@H]1Cc1ccc[nH]1 257609015 572875909 /nfs/dbraw/zinc/87/59/09/572875909.db2.gz ITYWRXUFYXVKLU-GXSJLCMTSA-N 1 3 193.294 0.836 10 0 ACAEHO CO[C@H](C)CC[NH2+]C[C@H](C)CN 308155379 572875928 /nfs/dbraw/zinc/87/59/28/572875928.db2.gz OMPNEBMMBZMIQK-RKDXNWHRSA-N 1 3 174.288 0.596 10 0 ACAEHO C[N@@H+]1CC[C@H](CN)[C@H]1Cc1cc[nH]c1 257608897 572876101 /nfs/dbraw/zinc/87/61/01/572876101.db2.gz ACPANPRRLBBUDX-GHMZBOCLSA-N 1 3 193.294 0.836 10 0 ACAEHO C[N@H+]1CC[C@H](CN)[C@H]1Cc1cc[nH]c1 257608897 572876106 /nfs/dbraw/zinc/87/61/06/572876106.db2.gz ACPANPRRLBBUDX-GHMZBOCLSA-N 1 3 193.294 0.836 10 0 ACAEHO CN1CC[C@H](C[NH3+])[C@H]1Cc1cc[nH]c1 257608897 572876111 /nfs/dbraw/zinc/87/61/11/572876111.db2.gz ACPANPRRLBBUDX-GHMZBOCLSA-N 1 3 193.294 0.836 10 0 ACAEHO CCNCC[NH2+]CCn1ccnc1 308161380 572876212 /nfs/dbraw/zinc/87/62/12/572876212.db2.gz AMYYJWDCHAPZLF-UHFFFAOYSA-N 1 3 182.271 0.082 10 0 ACAEHO CCNCC[NH2+]C[C@H](CC)OC 308161974 572876926 /nfs/dbraw/zinc/87/69/26/572876926.db2.gz RSYQGXDSVQIEQA-VIFPVBQESA-N 1 3 174.288 0.611 10 0 ACAEHO CCNC(=[NH2+])N(C)C[C@H]1CCCN1C 86189309 572877217 /nfs/dbraw/zinc/87/72/17/572877217.db2.gz YUNJZBAKXVGCJN-SECBINFHSA-N 1 3 198.314 0.557 10 0 ACAEHO CCN1CCC[C@@H]1CN(C)C(N)=[NH2+] 86189337 572877606 /nfs/dbraw/zinc/87/76/06/572877606.db2.gz WJKWHEIOYQOCBL-MRVPVSSYSA-N 1 3 184.287 0.296 10 0 ACAEHO CN(C)CCOCC[NH2+]CC1CC1 231676294 572877905 /nfs/dbraw/zinc/87/79/05/572877905.db2.gz HRQJHALQSNTPPL-UHFFFAOYSA-N 1 3 186.299 0.564 10 0 ACAEHO CCNC(=[NH2+])N(C)C[C@@H]1CCCN1C 86189307 572878195 /nfs/dbraw/zinc/87/81/95/572878195.db2.gz YUNJZBAKXVGCJN-VIFPVBQESA-N 1 3 198.314 0.557 10 0 ACAEHO CCN1CCC[C@@H]1CN(C)C(=[NH2+])NC 86189331 572878434 /nfs/dbraw/zinc/87/84/34/572878434.db2.gz ZXSWYCNLHIAWHA-SECBINFHSA-N 1 3 198.314 0.557 10 0 ACAEHO CCOC1CC([N@H+](C)C[C@H](C)N)C1 308159446 572880603 /nfs/dbraw/zinc/88/06/03/572880603.db2.gz VWGUGUQMKVBJKJ-IDKOKCKLSA-N 1 3 186.299 0.833 10 0 ACAEHO CCOC1CC([N@@H+](C)C[C@H](C)N)C1 308159446 572880605 /nfs/dbraw/zinc/88/06/05/572880605.db2.gz VWGUGUQMKVBJKJ-IDKOKCKLSA-N 1 3 186.299 0.833 10 0 ACAEHO CCOC1CC([N@H+](C)C[C@@H](C)N)C1 308159447 572881116 /nfs/dbraw/zinc/88/11/16/572881116.db2.gz VWGUGUQMKVBJKJ-XNWIYYODSA-N 1 3 186.299 0.833 10 0 ACAEHO CCOC1CC([N@@H+](C)C[C@@H](C)N)C1 308159447 572881122 /nfs/dbraw/zinc/88/11/22/572881122.db2.gz VWGUGUQMKVBJKJ-XNWIYYODSA-N 1 3 186.299 0.833 10 0 ACAEHO CCCN1CCO[C@H](CC[NH3+])C1 71496686 572882411 /nfs/dbraw/zinc/88/24/11/572882411.db2.gz RTTQMRDTIIUSJC-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCC[C@H](O)C1 308167554 572886106 /nfs/dbraw/zinc/88/61/06/572886106.db2.gz AFXYJSJCEMTXOP-UTLUCORTSA-N 1 3 186.299 0.474 10 0 ACAEHO OCCC[NH2+]C[C@H]1CN2CCC1CC2 75600928 572882948 /nfs/dbraw/zinc/88/29/48/572882948.db2.gz YKMVDTCILWKLQR-NSHDSACASA-N 1 3 198.310 0.300 10 0 ACAEHO CCN1C[C@@H](C)O[C@H](CC[NH3+])C1 71496684 572883868 /nfs/dbraw/zinc/88/38/68/572883868.db2.gz GSQHLTNFGQUURL-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CCN1C[C@H](C)O[C@H](CC[NH3+])C1 71496683 572883878 /nfs/dbraw/zinc/88/38/78/572883878.db2.gz GSQHLTNFGQUURL-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO CCCN1CCO[C@@H](CC[NH3+])C1 71496688 572884287 /nfs/dbraw/zinc/88/42/87/572884287.db2.gz RTTQMRDTIIUSJC-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H](O)CCC[N@@H+](C)CCCN 307969036 572885263 /nfs/dbraw/zinc/88/52/63/572885263.db2.gz VROXGGIUVRCSIT-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO OCCC[NH2+]C[C@@H]1CN2CCC1CC2 75600927 572885164 /nfs/dbraw/zinc/88/51/64/572885164.db2.gz YKMVDTCILWKLQR-LLVKDONJSA-N 1 3 198.310 0.300 10 0 ACAEHO C[C@@H](O)CCC[N@H+](C)CCCN 307969036 572885258 /nfs/dbraw/zinc/88/52/58/572885258.db2.gz VROXGGIUVRCSIT-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H](O)C1 308167532 572885375 /nfs/dbraw/zinc/88/53/75/572885375.db2.gz AFXYJSJCEMTXOP-BBBLOLIVSA-N 1 3 186.299 0.474 10 0 ACAEHO CN(CCN1CCC([NH3+])CC1)C1CC1 86206334 572888231 /nfs/dbraw/zinc/88/82/31/572888231.db2.gz SCAKRNUCASPNNZ-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H](O)C1 308167543 572885900 /nfs/dbraw/zinc/88/59/00/572885900.db2.gz AFXYJSJCEMTXOP-OPRDCNLKSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H](O)CCC[N@H+](C)CCCN 307969037 572886166 /nfs/dbraw/zinc/88/61/66/572886166.db2.gz VROXGGIUVRCSIT-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO C[C@H](O)CCC[N@@H+](C)CCCN 307969037 572886169 /nfs/dbraw/zinc/88/61/69/572886169.db2.gz VROXGGIUVRCSIT-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO CC(C)(C)[C@H](O)CNCCC[NH3+] 307969224 572886384 /nfs/dbraw/zinc/88/63/84/572886384.db2.gz VXNHWRPFDQNNSI-MRVPVSSYSA-N 1 3 174.288 0.332 10 0 ACAEHO CC(C)(C)[C@H](O)C[NH2+]CCCN 307969224 572886389 /nfs/dbraw/zinc/88/63/89/572886389.db2.gz VXNHWRPFDQNNSI-MRVPVSSYSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@@H]1SCC[C@]1(C[NH3+])NC1CC1 235392554 572886495 /nfs/dbraw/zinc/88/64/95/572886495.db2.gz URLVDLJJTQORTK-IONNQARKSA-N 1 3 186.324 0.961 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](CN)C1 50374202 572886625 /nfs/dbraw/zinc/88/66/25/572886625.db2.gz BOYVULPNNSVXRN-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](CN)C1 50374202 572886627 /nfs/dbraw/zinc/88/66/27/572886627.db2.gz BOYVULPNNSVXRN-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO CC(C)(C)[C@@H](O)CNCCC[NH3+] 307969225 572886633 /nfs/dbraw/zinc/88/66/33/572886633.db2.gz VXNHWRPFDQNNSI-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO CC(C)(C)[C@@H](O)C[NH2+]CCCN 307969225 572886637 /nfs/dbraw/zinc/88/66/37/572886637.db2.gz VXNHWRPFDQNNSI-QMMMGPOBSA-N 1 3 174.288 0.332 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@H](O)C1 308167537 572886700 /nfs/dbraw/zinc/88/67/00/572886700.db2.gz AFXYJSJCEMTXOP-KXUCPTDWSA-N 1 3 186.299 0.474 10 0 ACAEHO CO[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](CN)C1 50374204 572887013 /nfs/dbraw/zinc/88/70/13/572887013.db2.gz BOYVULPNNSVXRN-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](CN)C1 50374204 572887015 /nfs/dbraw/zinc/88/70/15/572887015.db2.gz BOYVULPNNSVXRN-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[N@@H+](C1CCNCC1)[C@@H](C)CO 308172171 572891452 /nfs/dbraw/zinc/89/14/52/572891452.db2.gz CTQIXGBIMCIKSP-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@H+](C1CCNCC1)[C@@H](C)CO 308172171 572891456 /nfs/dbraw/zinc/89/14/56/572891456.db2.gz CTQIXGBIMCIKSP-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO CCN(C1CC[NH2+]CC1)[C@@H](C)CO 308172171 572891459 /nfs/dbraw/zinc/89/14/59/572891459.db2.gz CTQIXGBIMCIKSP-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H]1CC[C@]1(CN)[NH2+]CCN(C)C 308164526 572895036 /nfs/dbraw/zinc/89/50/36/572895036.db2.gz YRLPRZWMCOBVBQ-NXEZZACHSA-N 1 3 185.315 0.265 10 0 ACAEHO C[C@@H]1CC[C@]1(C[NH3+])NCCN(C)C 308164526 572895039 /nfs/dbraw/zinc/89/50/39/572895039.db2.gz YRLPRZWMCOBVBQ-NXEZZACHSA-N 1 3 185.315 0.265 10 0 ACAEHO CC(C)(O)CC[N@@H+]1CC[C@@H](CN)C1 86236983 572897354 /nfs/dbraw/zinc/89/73/54/572897354.db2.gz MVQHUDSZVVUIGY-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(O)CC[N@H+]1CC[C@@H](CN)C1 86236983 572897356 /nfs/dbraw/zinc/89/73/56/572897356.db2.gz MVQHUDSZVVUIGY-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H](C)N(CCO)CCC[NH2+]C 308164571 572895951 /nfs/dbraw/zinc/89/59/51/572895951.db2.gz YUULSKGWSSKVRU-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CC[C@@H](C)[N@H+](CCO)CCCNC 308164571 572895952 /nfs/dbraw/zinc/89/59/52/572895952.db2.gz YUULSKGWSSKVRU-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO CC[C@@H](C)[N@@H+](CCO)CCCNC 308164571 572895954 /nfs/dbraw/zinc/89/59/54/572895954.db2.gz YUULSKGWSSKVRU-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)N1CCC([NH3+])CC1 235390986 572896013 /nfs/dbraw/zinc/89/60/13/572896013.db2.gz ZRRLEDYDJAFCMA-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[N@H+](CCCN)CCC(C)(C)O 86234673 572896293 /nfs/dbraw/zinc/89/62/93/572896293.db2.gz BRJOLPIIBLPYKQ-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO CC[N@@H+](CCCN)CCC(C)(C)O 86234673 572896296 /nfs/dbraw/zinc/89/62/96/572896296.db2.gz BRJOLPIIBLPYKQ-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)CCC(C)(C)O 86234792 572897424 /nfs/dbraw/zinc/89/74/24/572897424.db2.gz JIKJCEPKDVOQSQ-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)CCC(C)(C)O 86234735 572896417 /nfs/dbraw/zinc/89/64/17/572896417.db2.gz TXUVUKMQBNAJGT-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)CCC(C)(C)O 86234735 572896420 /nfs/dbraw/zinc/89/64/20/572896420.db2.gz TXUVUKMQBNAJGT-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@H](CN)C[N@H+](C)CCC(C)(C)O 86234738 572896534 /nfs/dbraw/zinc/89/65/34/572896534.db2.gz TXUVUKMQBNAJGT-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@H](CN)C[N@@H+](C)CCC(C)(C)O 86234738 572896536 /nfs/dbraw/zinc/89/65/36/572896536.db2.gz TXUVUKMQBNAJGT-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO COCCC[N@@H+]1CCCNC[C@@H]1C 71499887 572896592 /nfs/dbraw/zinc/89/65/92/572896592.db2.gz KJGSKVUFSYWGOI-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO COCCC[N@H+]1CCCNC[C@@H]1C 71499887 572896594 /nfs/dbraw/zinc/89/65/94/572896594.db2.gz KJGSKVUFSYWGOI-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[N@@H+]1CCCNCC1 235391237 572896711 /nfs/dbraw/zinc/89/67/11/572896711.db2.gz ULMRIBUEWHEBNK-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[N@H+]1CCCNCC1 235391237 572896714 /nfs/dbraw/zinc/89/67/14/572896714.db2.gz ULMRIBUEWHEBNK-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CCN1C[C@H](CC[NH2+]C)N(C)C[C@H]1C 250452230 572896744 /nfs/dbraw/zinc/89/67/44/572896744.db2.gz ZRPUYKQOBSDUET-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)(O)CC[NH2+]CCCN 86235825 572896850 /nfs/dbraw/zinc/89/68/50/572896850.db2.gz PDMPCRYPTVPFOC-UHFFFAOYSA-N 1 3 160.261 0.086 10 0 ACAEHO CC(C)(O)CCNCCC[NH3+] 86235825 572896853 /nfs/dbraw/zinc/89/68/53/572896853.db2.gz PDMPCRYPTVPFOC-UHFFFAOYSA-N 1 3 160.261 0.086 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)CCC(C)(C)O 86234790 572896910 /nfs/dbraw/zinc/89/69/10/572896910.db2.gz JIKJCEPKDVOQSQ-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)CCC(C)(C)O 86234790 572896912 /nfs/dbraw/zinc/89/69/12/572896912.db2.gz JIKJCEPKDVOQSQ-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CCN(CCC[NH+](C)C)[C@H](C)CO 308174823 572897046 /nfs/dbraw/zinc/89/70/46/572897046.db2.gz DWOMOXQPQFJJAZ-SNVBAGLBSA-N 1 3 188.315 0.641 10 0 ACAEHO CC(C)(O)CC[N@@H+]1CC[C@H](CN)C1 86236981 572897083 /nfs/dbraw/zinc/89/70/83/572897083.db2.gz MVQHUDSZVVUIGY-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(O)CC[N@H+]1CC[C@H](CN)C1 86236981 572897086 /nfs/dbraw/zinc/89/70/86/572897086.db2.gz MVQHUDSZVVUIGY-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H](C)N1CCO[C@H](CC[NH3+])C1 71499874 572897124 /nfs/dbraw/zinc/89/71/24/572897124.db2.gz RKIRGNGFDFYFAJ-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H](C[N@@H+]1CC[C@H](N)C1)OC 308176240 572897260 /nfs/dbraw/zinc/89/72/60/572897260.db2.gz ZJPNCDYVPHXYTF-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@H](C[N@H+]1CC[C@H](N)C1)OC 308176240 572897263 /nfs/dbraw/zinc/89/72/63/572897263.db2.gz ZJPNCDYVPHXYTF-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H](CCN)[N@H+](C)CCC(C)(C)O 86234792 572897422 /nfs/dbraw/zinc/89/74/22/572897422.db2.gz JIKJCEPKDVOQSQ-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H]1C[C@@H](C)N(C[C@@H]([NH3+])CCO)C1 222543016 572897508 /nfs/dbraw/zinc/89/75/08/572897508.db2.gz TXFKKXDSNTYWTE-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](C[N@@H+]1CC[C@@H](N)C1)OC 308176235 572898026 /nfs/dbraw/zinc/89/80/26/572898026.db2.gz ZJPNCDYVPHXYTF-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@@H](C[N@H+]1CC[C@@H](N)C1)OC 308176235 572898030 /nfs/dbraw/zinc/89/80/30/572898030.db2.gz ZJPNCDYVPHXYTF-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@H](C)N1CCO[C@H](CC[NH3+])C1 71499876 572898251 /nfs/dbraw/zinc/89/82/51/572898251.db2.gz RKIRGNGFDFYFAJ-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN1C[C@@H](CC[NH2+]C)N(C)C[C@H]1C 250452228 572898674 /nfs/dbraw/zinc/89/86/74/572898674.db2.gz ZRPUYKQOBSDUET-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1C[C@@H](C)CN1C[C@@H]([NH3+])CCO 222543138 572898827 /nfs/dbraw/zinc/89/88/27/572898827.db2.gz TXFKKXDSNTYWTE-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)N1C=N[C@@H]2C[C@H]([NH3+])CC[C@H]21 250477351 572898984 /nfs/dbraw/zinc/89/89/84/572898984.db2.gz ATBWVSZCFSXMJS-OPRDCNLKSA-N 1 3 181.283 0.987 10 0 ACAEHO COCCC[N@@H+]1CCCNC[C@H]1C 71499885 572899041 /nfs/dbraw/zinc/89/90/41/572899041.db2.gz KJGSKVUFSYWGOI-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO COCCC[N@H+]1CCCNC[C@H]1C 71499885 572899044 /nfs/dbraw/zinc/89/90/44/572899044.db2.gz KJGSKVUFSYWGOI-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@@H](CCN)[C@H](O)C1 257621551 572899569 /nfs/dbraw/zinc/89/95/69/572899569.db2.gz GAJPWXHVEPDYBP-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@@H](CCN)[C@H](O)C1 257621551 572899570 /nfs/dbraw/zinc/89/95/70/572899570.db2.gz GAJPWXHVEPDYBP-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@@H](CCN)[C@@H](O)C1 257621553 572900361 /nfs/dbraw/zinc/90/03/61/572900361.db2.gz GAJPWXHVEPDYBP-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@@H](CCN)[C@@H](O)C1 257621553 572900363 /nfs/dbraw/zinc/90/03/63/572900363.db2.gz GAJPWXHVEPDYBP-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO FC(F)CCNC[C@@H]1CC[NH2+]C1 308176973 572900570 /nfs/dbraw/zinc/90/05/70/572900570.db2.gz ZROYJQFTOZCCBQ-SSDOTTSWSA-N 1 3 178.226 0.841 10 0 ACAEHO C[C@@H]1CC[N@H+](C)[C@H](CCN)[C@@H](O)C1 257621550 572900632 /nfs/dbraw/zinc/90/06/32/572900632.db2.gz GAJPWXHVEPDYBP-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](C)[C@H](CCN)[C@@H](O)C1 257621550 572900635 /nfs/dbraw/zinc/90/06/35/572900635.db2.gz GAJPWXHVEPDYBP-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[N@H+](CC1CC1)C[C@H]1COCC[C@H]1N 299967348 572901158 /nfs/dbraw/zinc/90/11/58/572901158.db2.gz IZQNHOVPWKEMEI-WDEREUQCSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@@H+](CC1CC1)C[C@H]1COCC[C@H]1N 299967348 572901161 /nfs/dbraw/zinc/90/11/61/572901161.db2.gz IZQNHOVPWKEMEI-WDEREUQCSA-N 1 3 198.310 0.692 10 0 ACAEHO CN(CC1CC1)C[C@H]1COCC[C@H]1[NH3+] 299967348 572901165 /nfs/dbraw/zinc/90/11/65/572901165.db2.gz IZQNHOVPWKEMEI-WDEREUQCSA-N 1 3 198.310 0.692 10 0 ACAEHO CC(C)N1C=N[C@@H]2C[C@H]([NH3+])CC[C@@H]21 250476505 572901328 /nfs/dbraw/zinc/90/13/28/572901328.db2.gz ATBWVSZCFSXMJS-BBBLOLIVSA-N 1 3 181.283 0.987 10 0 ACAEHO C[N@H+](CC1CC1)C[C@@H]1COCC[C@H]1N 299967346 572901735 /nfs/dbraw/zinc/90/17/35/572901735.db2.gz IZQNHOVPWKEMEI-GHMZBOCLSA-N 1 3 198.310 0.692 10 0 ACAEHO C[N@@H+](CC1CC1)C[C@@H]1COCC[C@H]1N 299967346 572901737 /nfs/dbraw/zinc/90/17/37/572901737.db2.gz IZQNHOVPWKEMEI-GHMZBOCLSA-N 1 3 198.310 0.692 10 0 ACAEHO CN(CC1CC1)C[C@@H]1COCC[C@H]1[NH3+] 299967346 572901740 /nfs/dbraw/zinc/90/17/40/572901740.db2.gz IZQNHOVPWKEMEI-GHMZBOCLSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]([NH3+])c1cnn(CCN(C)C)c1 308173525 572901833 /nfs/dbraw/zinc/90/18/33/572901833.db2.gz DLGNUVLRNQUSHD-QMMMGPOBSA-N 1 3 182.271 0.464 10 0 ACAEHO CC[C@H](C[NH3+])CCN1CCN(C)CC1 87989141 572902241 /nfs/dbraw/zinc/90/22/41/572902241.db2.gz KCFKYYQTACAQTR-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1CNC[C@@H]1CCCO1 86272766 572902621 /nfs/dbraw/zinc/90/26/21/572902621.db2.gz ISDFIYQUFHZTFE-AXFHLTTASA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@H](C[NH3+])N(CC)CC(C)(C)O 86273583 572902782 /nfs/dbraw/zinc/90/27/82/572902782.db2.gz IHIHYYAIWJQCKO-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H]1CN(CC[C@@H](C)C[NH3+])CCO1 87989179 572903338 /nfs/dbraw/zinc/90/33/38/572903338.db2.gz NBOLTHMOPJRYPG-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[N@H+](CCCN)CC(C)(C)O 86273584 572903339 /nfs/dbraw/zinc/90/33/39/572903339.db2.gz CEUIULZJLFAXMZ-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@@H](C[NH3+])CCN1CCN(C)CC1 87989142 572903291 /nfs/dbraw/zinc/90/32/91/572903291.db2.gz KCFKYYQTACAQTR-LLVKDONJSA-N 1 3 199.342 0.609 10 0 ACAEHO CC[N@@H+](CCCN)CC(C)(C)O 86273584 572903341 /nfs/dbraw/zinc/90/33/41/572903341.db2.gz CEUIULZJLFAXMZ-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CCN(CCC[NH3+])CC(C)(C)O 86273584 572903344 /nfs/dbraw/zinc/90/33/44/572903344.db2.gz CEUIULZJLFAXMZ-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CC[C@H](CNC[C@@H]1CC[NH2+]C1)OC 308180026 572903463 /nfs/dbraw/zinc/90/34/63/572903463.db2.gz FUVHVMGRFUQFJU-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO CC[C@H](CCN)[N@H+](C)CC(C)(C)O 86273557 572903604 /nfs/dbraw/zinc/90/36/04/572903604.db2.gz PYPLYFGXXLGRGR-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@H](CCN)[N@@H+](C)CC(C)(C)O 86273557 572903606 /nfs/dbraw/zinc/90/36/06/572903606.db2.gz PYPLYFGXXLGRGR-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1CCC[C@@H]1CCO 308179451 572904143 /nfs/dbraw/zinc/90/41/43/572904143.db2.gz CAGNQDXZHIMGMA-IVZWLZJFSA-N 1 3 186.299 0.569 10 0 ACAEHO CCN(CCC(N)=[NH2+])CC(C)(C)O 86273923 572904456 /nfs/dbraw/zinc/90/44/56/572904456.db2.gz ATOVWZZFHHOQBC-UHFFFAOYSA-N 1 3 187.287 0.405 10 0 ACAEHO COCCNC[C@@H]1CC[NH2+][C@H]1C 86273074 572903940 /nfs/dbraw/zinc/90/39/40/572903940.db2.gz WFWIMPZPGYYNDX-IUCAKERBSA-N 1 3 172.272 0.220 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1CNC[C@@H]1CCCO1 86272764 572903947 /nfs/dbraw/zinc/90/39/47/572903947.db2.gz ISDFIYQUFHZTFE-DCAQKATOSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN(CCC[NH2+]C)CC(C)(C)O 86274745 572903984 /nfs/dbraw/zinc/90/39/84/572903984.db2.gz WGSSMEQWRLFJNE-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO CC[N@H+](CCCNC)CC(C)(C)O 86274745 572903987 /nfs/dbraw/zinc/90/39/87/572903987.db2.gz WGSSMEQWRLFJNE-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO CC[N@@H+](CCCNC)CC(C)(C)O 86274745 572903990 /nfs/dbraw/zinc/90/39/90/572903990.db2.gz WGSSMEQWRLFJNE-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO CC[C@@H](CCN)[N@H+](C)CC(C)(C)O 86273556 572903998 /nfs/dbraw/zinc/90/39/98/572903998.db2.gz PYPLYFGXXLGRGR-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@@H](CCN)[N@@H+](C)CC(C)(C)O 86273556 572904002 /nfs/dbraw/zinc/90/40/02/572904002.db2.gz PYPLYFGXXLGRGR-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)CC(C)(C)O 86273541 572904015 /nfs/dbraw/zinc/90/40/15/572904015.db2.gz GYWYTOHVKRMMDZ-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)CC(C)(C)O 86273541 572904019 /nfs/dbraw/zinc/90/40/19/572904019.db2.gz GYWYTOHVKRMMDZ-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)CC(C)(C)O 86273541 572904022 /nfs/dbraw/zinc/90/40/22/572904022.db2.gz GYWYTOHVKRMMDZ-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO COCCN(C)[C@@H]1CCC[C@@H]([NH3+])C1 223139980 572904037 /nfs/dbraw/zinc/90/40/37/572904037.db2.gz RVXOWMPCIMLXKP-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](CNC[C@H]1CC[NH2+]C1)OC 308180029 572904126 /nfs/dbraw/zinc/90/41/26/572904126.db2.gz FUVHVMGRFUQFJU-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO CC[N@H+](CC(C)(C)O)[C@@H](C)CCN 86273578 572904166 /nfs/dbraw/zinc/90/41/66/572904166.db2.gz OAFLNAGQYDZNMD-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CC[N@@H+](CC(C)(C)O)[C@@H](C)CCN 86273578 572904168 /nfs/dbraw/zinc/90/41/68/572904168.db2.gz OAFLNAGQYDZNMD-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N(C)CC(C)(C)O 86273897 572904266 /nfs/dbraw/zinc/90/42/66/572904266.db2.gz QDOMIRUKJVVGNH-SSDOTTSWSA-N 1 3 187.287 0.404 10 0 ACAEHO CCC(CC)(CO)NCC(C)(C)[NH3+] 308178592 572904267 /nfs/dbraw/zinc/90/42/67/572904267.db2.gz BPVPUXFYXLASSQ-UHFFFAOYSA-N 1 3 188.315 0.864 10 0 ACAEHO C[C@H]1[NH2+]CC[C@@H]1CN(C)CCN(C)C 86273174 572904321 /nfs/dbraw/zinc/90/43/21/572904321.db2.gz MLHSLLFZDXWBMB-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@H](CCN)[N@H+](C)CC(C)(C)O 86273542 572904333 /nfs/dbraw/zinc/90/43/33/572904333.db2.gz GYWYTOHVKRMMDZ-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)CC(C)(C)O 86273542 572904334 /nfs/dbraw/zinc/90/43/34/572904334.db2.gz GYWYTOHVKRMMDZ-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](CC[NH3+])N(C)CC(C)(C)O 86273542 572904336 /nfs/dbraw/zinc/90/43/36/572904336.db2.gz GYWYTOHVKRMMDZ-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[NH2+]CCCN(C)CC(C)(C)O 86274720 572904344 /nfs/dbraw/zinc/90/43/44/572904344.db2.gz BKGLGORCDXLICW-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO C[C@@H](CN(C)CC(C)(C)O)C(N)=[NH2+] 86273898 572904436 /nfs/dbraw/zinc/90/44/36/572904436.db2.gz SZYFSZCQUGPQKL-ZETCQYMHSA-N 1 3 187.287 0.261 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N(C)CC(C)(C)O 86273896 572904495 /nfs/dbraw/zinc/90/44/95/572904495.db2.gz QDOMIRUKJVVGNH-ZETCQYMHSA-N 1 3 187.287 0.404 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)CC(C)(C)O 86273524 572904530 /nfs/dbraw/zinc/90/45/30/572904530.db2.gz ODGALTHKYOPMON-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)CC(C)(C)O 86273524 572904533 /nfs/dbraw/zinc/90/45/33/572904533.db2.gz ODGALTHKYOPMON-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)CC(C)(C)O 86273524 572904535 /nfs/dbraw/zinc/90/45/35/572904535.db2.gz ODGALTHKYOPMON-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO CO[C@@H](C)CN(C)CC1(C[NH3+])CC1 308178180 572904600 /nfs/dbraw/zinc/90/46/00/572904600.db2.gz BHRXXYGMXPXMNL-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H](C)C[N@H+](C)CC1(CN)CC1 308178180 572904603 /nfs/dbraw/zinc/90/46/03/572904603.db2.gz BHRXXYGMXPXMNL-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H](C)C[N@@H+](C)CC1(CN)CC1 308178180 572904607 /nfs/dbraw/zinc/90/46/07/572904607.db2.gz BHRXXYGMXPXMNL-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CCC(CC)CN[C@@H](C[NH3+])COC 308179363 572904660 /nfs/dbraw/zinc/90/46/60/572904660.db2.gz BXHVHFAIIVOJGW-JTQLQIEISA-N 1 3 188.315 0.986 10 0 ACAEHO C[C@H](CN)C[N@H+](C)CC(C)(C)O 86273525 572904692 /nfs/dbraw/zinc/90/46/92/572904692.db2.gz ODGALTHKYOPMON-MRVPVSSYSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+](C)CC(C)(C)O 86273525 572904696 /nfs/dbraw/zinc/90/46/96/572904696.db2.gz ODGALTHKYOPMON-MRVPVSSYSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@H](C[NH3+])CN(C)CC(C)(C)O 86273525 572904699 /nfs/dbraw/zinc/90/46/99/572904699.db2.gz ODGALTHKYOPMON-MRVPVSSYSA-N 1 3 174.288 0.284 10 0 ACAEHO CC[N@H+](C[C@H](C)CN)CC(C)(C)O 86273570 572904830 /nfs/dbraw/zinc/90/48/30/572904830.db2.gz LQXPILSDTBVPBY-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@@H+](C[C@H](C)CN)CC(C)(C)O 86273570 572904832 /nfs/dbraw/zinc/90/48/32/572904832.db2.gz LQXPILSDTBVPBY-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@H+](C[C@@H](C)CN)CC(C)(C)O 86273569 572904848 /nfs/dbraw/zinc/90/48/48/572904848.db2.gz LQXPILSDTBVPBY-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@@H+](C[C@@H](C)CN)CC(C)(C)O 86273569 572904851 /nfs/dbraw/zinc/90/48/51/572904851.db2.gz LQXPILSDTBVPBY-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1CN(C)CCN(C)C 86273173 572905026 /nfs/dbraw/zinc/90/50/26/572905026.db2.gz MLHSLLFZDXWBMB-QWRGUYRKSA-N 1 3 199.342 0.478 10 0 ACAEHO [NH3+]C/C=C/CNCCc1nccs1 308178827 572905028 /nfs/dbraw/zinc/90/50/28/572905028.db2.gz BVXLTALEBOADKG-OWOJBTEDSA-N 1 3 197.307 0.790 10 0 ACAEHO CO[C@H](C)C[N@@H+](C)CC1(CN)CC1 308178178 572905599 /nfs/dbraw/zinc/90/55/99/572905599.db2.gz BHRXXYGMXPXMNL-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CNC[C@@H](C)[NH2+]CCn1ccnc1 308180295 572905171 /nfs/dbraw/zinc/90/51/71/572905171.db2.gz CJBHBOLLNNSQRK-SECBINFHSA-N 1 3 182.271 0.081 10 0 ACAEHO CCC(CC)CN[C@H](C[NH3+])COC 308179364 572905178 /nfs/dbraw/zinc/90/51/78/572905178.db2.gz BXHVHFAIIVOJGW-SNVBAGLBSA-N 1 3 188.315 0.986 10 0 ACAEHO COCCNC[C@H]1CC[NH2+][C@@H]1C 86273075 572905181 /nfs/dbraw/zinc/90/51/81/572905181.db2.gz WFWIMPZPGYYNDX-RKDXNWHRSA-N 1 3 172.272 0.220 10 0 ACAEHO C[NH2+]C(C)(C)CNC[C@@H](C)COC 308178702 572905283 /nfs/dbraw/zinc/90/52/83/572905283.db2.gz BSWQGLKPJCULKP-SECBINFHSA-N 1 3 188.315 0.857 10 0 ACAEHO C[NH2+]C[C@H](C)CN(C)CC(C)(C)O 86274722 572905456 /nfs/dbraw/zinc/90/54/56/572905456.db2.gz YJRVJJJZVJOGBS-VIFPVBQESA-N 1 3 188.315 0.545 10 0 ACAEHO CO[C@H](C)CN(C)CC1(C[NH3+])CC1 308178178 572905594 /nfs/dbraw/zinc/90/55/94/572905594.db2.gz BHRXXYGMXPXMNL-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](C)C[N@H+](C)CC1(CN)CC1 308178178 572905598 /nfs/dbraw/zinc/90/55/98/572905598.db2.gz BHRXXYGMXPXMNL-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](O)CCN(C)CCC(C)(C)[NH3+] 308178218 572905628 /nfs/dbraw/zinc/90/56/28/572905628.db2.gz BIWUYOTWDHIVFO-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO COC1(CNCCF)CC[NH2+]CC1 308179276 572905637 /nfs/dbraw/zinc/90/56/37/572905637.db2.gz GNAQQIOIYWFQIY-UHFFFAOYSA-N 1 3 190.262 0.314 10 0 ACAEHO COCCNC[C@@H]1CC[NH2+][C@@H]1C 86273073 572905653 /nfs/dbraw/zinc/90/56/53/572905653.db2.gz WFWIMPZPGYYNDX-BDAKNGLRSA-N 1 3 172.272 0.220 10 0 ACAEHO C[NH2+]C(C)(C)CNC[C@H](C)COC 308178708 572905719 /nfs/dbraw/zinc/90/57/19/572905719.db2.gz BSWQGLKPJCULKP-VIFPVBQESA-N 1 3 188.315 0.857 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(C)CC(C)(C)O 86274723 572905755 /nfs/dbraw/zinc/90/57/55/572905755.db2.gz YJRVJJJZVJOGBS-SECBINFHSA-N 1 3 188.315 0.545 10 0 ACAEHO COCCNC[C@H]1CC[NH2+][C@H]1C 86273076 572905772 /nfs/dbraw/zinc/90/57/72/572905772.db2.gz WFWIMPZPGYYNDX-DTWKUNHWSA-N 1 3 172.272 0.220 10 0 ACAEHO CC[C@@H](C[NH3+])N(CC)CC(C)(C)O 86273582 572905812 /nfs/dbraw/zinc/90/58/12/572905812.db2.gz IHIHYYAIWJQCKO-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO Cn1c(N)nc2c1CC[C@H]([NH+](C)C)C2 75843699 572906318 /nfs/dbraw/zinc/90/63/18/572906318.db2.gz VXCSYZVMTUASPV-ZETCQYMHSA-N 1 3 194.282 0.421 10 0 ACAEHO NCc1cc(C(N)=[NH2+])ccc1F 75844975 572906755 /nfs/dbraw/zinc/90/67/55/572906755.db2.gz ZTFMQACDOWSIFR-UHFFFAOYSA-N 1 3 167.187 0.568 10 0 ACAEHO CCN(CCCO)CCC(C)(C)[NH3+] 308183020 572906822 /nfs/dbraw/zinc/90/68/22/572906822.db2.gz DKPKBDKMWPBAOJ-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO CNC[C@H](C)[NH2+]CCn1ccnc1 308180763 572906848 /nfs/dbraw/zinc/90/68/48/572906848.db2.gz CJBHBOLLNNSQRK-VIFPVBQESA-N 1 3 182.271 0.081 10 0 ACAEHO Cc1ccc(C(N)=[NH2+])cc1CN 75844982 572906873 /nfs/dbraw/zinc/90/68/73/572906873.db2.gz IAPGAEFAZVXHPR-UHFFFAOYSA-N 1 3 163.224 0.738 10 0 ACAEHO CC(C)[N@H+]1CC(C)(C)N(C)C[C@H]1CN 250498592 572907432 /nfs/dbraw/zinc/90/74/32/572907432.db2.gz KGYISOUREMPSPM-SNVBAGLBSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1C=N[C@@H]2CC[C@H]([NH3+])C[C@H]21 250493942 572907386 /nfs/dbraw/zinc/90/73/86/572907386.db2.gz IIESHXSCVOHMQT-IVZWLZJFSA-N 1 3 181.283 0.987 10 0 ACAEHO CC(C)[N@@H+]1CC(C)(C)N(C)C[C@H]1CN 250498592 572907429 /nfs/dbraw/zinc/90/74/29/572907429.db2.gz KGYISOUREMPSPM-SNVBAGLBSA-N 1 3 199.342 0.748 10 0 ACAEHO Cc1ccc(C(N)=[NH2+])cc1C(=N)NO 75848404 572908293 /nfs/dbraw/zinc/90/82/93/572908293.db2.gz CNVSRDSHOFHOSX-UHFFFAOYSA-N 1 3 192.222 0.583 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CCO)C[C@@H](N)C1 250517429 572908649 /nfs/dbraw/zinc/90/86/49/572908649.db2.gz REGUEWBBSKARPW-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CCO)C[C@@H](N)C1 250517429 572908651 /nfs/dbraw/zinc/90/86/51/572908651.db2.gz REGUEWBBSKARPW-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO N=C(NO)c1ccc(F)c(C(N)=[NH2+])c1 75848389 572908778 /nfs/dbraw/zinc/90/87/78/572908778.db2.gz KDFOVPDQGXNXIX-UHFFFAOYSA-N 1 3 196.185 0.414 10 0 ACAEHO COC(=O)[C@@H](C)[C@@H](C)NCCC[NH3+] 86301311 572909086 /nfs/dbraw/zinc/90/90/86/572909086.db2.gz QEGSNVZLKYWMPZ-JGVFFNPUSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)[C@@H](C)[C@@H](C)[NH2+]CCCN 86301311 572909090 /nfs/dbraw/zinc/90/90/90/572909090.db2.gz QEGSNVZLKYWMPZ-JGVFFNPUSA-N 1 3 188.271 0.122 10 0 ACAEHO CC(C)N1C=N[C@@H]2CC[C@H]([NH3+])C[C@@H]21 250493941 572909109 /nfs/dbraw/zinc/90/91/09/572909109.db2.gz IIESHXSCVOHMQT-AEJSXWLSSA-N 1 3 181.283 0.987 10 0 ACAEHO FCCNCCOC1CC[NH2+]CC1 308184049 572909397 /nfs/dbraw/zinc/90/93/97/572909397.db2.gz IOQUSRGLSWARNE-UHFFFAOYSA-N 1 3 190.262 0.314 10 0 ACAEHO COC(=O)[C@H](C)[C@@H](C)NCCC[NH3+] 86301313 572909521 /nfs/dbraw/zinc/90/95/21/572909521.db2.gz QEGSNVZLKYWMPZ-HTQZYQBOSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)[C@H](C)[C@@H](C)[NH2+]CCCN 86301313 572909523 /nfs/dbraw/zinc/90/95/23/572909523.db2.gz QEGSNVZLKYWMPZ-HTQZYQBOSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)[C@H](C)[C@H](C)NCCC[NH3+] 86301316 572909643 /nfs/dbraw/zinc/90/96/43/572909643.db2.gz QEGSNVZLKYWMPZ-SFYZADRCSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)[C@H](C)[C@H](C)[NH2+]CCCN 86301316 572909646 /nfs/dbraw/zinc/90/96/46/572909646.db2.gz QEGSNVZLKYWMPZ-SFYZADRCSA-N 1 3 188.271 0.122 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](N)C[C@H](CCO)C1 250517435 572909676 /nfs/dbraw/zinc/90/96/76/572909676.db2.gz REGUEWBBSKARPW-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[N@H+]1C[C@H](N)C[C@H](CCO)C1 250517435 572909680 /nfs/dbraw/zinc/90/96/80/572909680.db2.gz REGUEWBBSKARPW-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO CO[C@H](C)CN(C)[C@H]1CC[C@@H]([NH3+])C1 308182247 572910451 /nfs/dbraw/zinc/91/04/51/572910451.db2.gz DBJWKLDOIGKXFN-BBBLOLIVSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)CN(C)[C@@H]1CC[C@H]([NH3+])C1 308182248 572910688 /nfs/dbraw/zinc/91/06/88/572910688.db2.gz DBJWKLDOIGKXFN-KXUCPTDWSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](CCN)[NH2+]CCn1ccnc1 308181747 572910925 /nfs/dbraw/zinc/91/09/25/572910925.db2.gz DBSDCTRTYBTSGD-SECBINFHSA-N 1 3 182.271 0.210 10 0 ACAEHO C[C@H](CC[NH3+])NCCn1ccnc1 308181747 572910927 /nfs/dbraw/zinc/91/09/27/572910927.db2.gz DBSDCTRTYBTSGD-SECBINFHSA-N 1 3 182.271 0.210 10 0 ACAEHO COC(=O)[C@@H](C)[C@H](C)NCCC[NH3+] 86301315 572911018 /nfs/dbraw/zinc/91/10/18/572911018.db2.gz QEGSNVZLKYWMPZ-YUMQZZPRSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)[C@@H](C)[C@H](C)[NH2+]CCCN 86301315 572911021 /nfs/dbraw/zinc/91/10/21/572911021.db2.gz QEGSNVZLKYWMPZ-YUMQZZPRSA-N 1 3 188.271 0.122 10 0 ACAEHO CN[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1CO 250516224 572911132 /nfs/dbraw/zinc/91/11/32/572911132.db2.gz QSXCMNPVUKUTHE-NXEZZACHSA-N 1 3 186.299 0.297 10 0 ACAEHO CN[C@@H]1CC[N@H+](C(C)C)C[C@@H]1CO 250516224 572911135 /nfs/dbraw/zinc/91/11/35/572911135.db2.gz QSXCMNPVUKUTHE-NXEZZACHSA-N 1 3 186.299 0.297 10 0 ACAEHO CO[C@H](C)CN(C)[C@@H]1CC[C@@H]([NH3+])C1 308182249 572911163 /nfs/dbraw/zinc/91/11/63/572911163.db2.gz DBJWKLDOIGKXFN-OPRDCNLKSA-N 1 3 186.299 0.833 10 0 ACAEHO CN[C@H]1CC[N@@H+](C(C)C)C[C@@H]1CO 250516230 572911301 /nfs/dbraw/zinc/91/13/01/572911301.db2.gz QSXCMNPVUKUTHE-ZJUUUORDSA-N 1 3 186.299 0.297 10 0 ACAEHO CN[C@H]1CC[N@H+](C(C)C)C[C@@H]1CO 250516230 572911304 /nfs/dbraw/zinc/91/13/04/572911304.db2.gz QSXCMNPVUKUTHE-ZJUUUORDSA-N 1 3 186.299 0.297 10 0 ACAEHO C[C@@H](CCN)[NH2+]CCn1ccnc1 308181748 572911522 /nfs/dbraw/zinc/91/15/22/572911522.db2.gz DBSDCTRTYBTSGD-VIFPVBQESA-N 1 3 182.271 0.210 10 0 ACAEHO C[C@@H](CC[NH3+])NCCn1ccnc1 308181748 572911524 /nfs/dbraw/zinc/91/15/24/572911524.db2.gz DBSDCTRTYBTSGD-VIFPVBQESA-N 1 3 182.271 0.210 10 0 ACAEHO CCN1CCN([C@@H](C)[C@@H](C)C[NH3+])CC1 86311328 572911725 /nfs/dbraw/zinc/91/17/25/572911725.db2.gz QOFKAJUUAPDRAW-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO COCCC[N@H+](C)[C@H](C)[C@H](C)CN 86312437 572911860 /nfs/dbraw/zinc/91/18/60/572911860.db2.gz WMASGSIWSDVWDX-NXEZZACHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCC[N@@H+](C)[C@H](C)[C@H](C)CN 86312437 572911862 /nfs/dbraw/zinc/91/18/62/572911862.db2.gz WMASGSIWSDVWDX-NXEZZACHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCCN(C)[C@H](C)[C@H](C)C[NH3+] 86312437 572911865 /nfs/dbraw/zinc/91/18/65/572911865.db2.gz WMASGSIWSDVWDX-NXEZZACHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCN(C)[C@H](C)[C@H](C)C[NH3+] 86312335 572911929 /nfs/dbraw/zinc/91/19/29/572911929.db2.gz WDJCFQXFYXVNNG-RKDXNWHRSA-N 1 3 174.288 0.548 10 0 ACAEHO COCCN(C)[C@@H](C)[C@@H](C)C[NH3+] 86312336 572912148 /nfs/dbraw/zinc/91/21/48/572912148.db2.gz WDJCFQXFYXVNNG-IUCAKERBSA-N 1 3 174.288 0.548 10 0 ACAEHO CCN1CCN([C@H](C)[C@@H](C)C[NH3+])CC1 86311329 572912349 /nfs/dbraw/zinc/91/23/49/572912349.db2.gz QOFKAJUUAPDRAW-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO COC[C@H](C)N(C)[C@H](C)[C@H](C)C[NH3+] 86312055 572912458 /nfs/dbraw/zinc/91/24/58/572912458.db2.gz KKQQNUBEXZRHLP-KXUCPTDWSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@H](C)[C@H](C)CN 86312055 572912461 /nfs/dbraw/zinc/91/24/61/572912461.db2.gz KKQQNUBEXZRHLP-KXUCPTDWSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@H](C)[C@H](C)CN 86312055 572912463 /nfs/dbraw/zinc/91/24/63/572912463.db2.gz KKQQNUBEXZRHLP-KXUCPTDWSA-N 1 3 188.315 0.936 10 0 ACAEHO CCN1CCN([C@@H](C)[C@H](C)C[NH3+])CC1 86311330 572912526 /nfs/dbraw/zinc/91/25/26/572912526.db2.gz QOFKAJUUAPDRAW-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO COCCC[N@H+](C)[C@@H](C)[C@@H](C)CN 86312438 572912644 /nfs/dbraw/zinc/91/26/44/572912644.db2.gz WMASGSIWSDVWDX-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCC[N@@H+](C)[C@@H](C)[C@@H](C)CN 86312438 572912645 /nfs/dbraw/zinc/91/26/45/572912645.db2.gz WMASGSIWSDVWDX-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCCN(C)[C@@H](C)[C@@H](C)C[NH3+] 86312438 572912647 /nfs/dbraw/zinc/91/26/47/572912647.db2.gz WMASGSIWSDVWDX-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N(C)CCN(C)C 86312585 572912659 /nfs/dbraw/zinc/91/26/59/572912659.db2.gz DCXJLGHZMUUMRA-NXEZZACHSA-N 1 3 187.331 0.463 10 0 ACAEHO COCCC[N@H+](C)[C@@H](C)[C@H](C)CN 86312439 572912707 /nfs/dbraw/zinc/91/27/07/572912707.db2.gz WMASGSIWSDVWDX-ZJUUUORDSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCC[N@@H+](C)[C@@H](C)[C@H](C)CN 86312439 572912708 /nfs/dbraw/zinc/91/27/08/572912708.db2.gz WMASGSIWSDVWDX-ZJUUUORDSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCCN(C)[C@@H](C)[C@H](C)C[NH3+] 86312439 572912709 /nfs/dbraw/zinc/91/27/09/572912709.db2.gz WMASGSIWSDVWDX-ZJUUUORDSA-N 1 3 188.315 0.938 10 0 ACAEHO CCN1CCN([C@H](C)[C@H](C)C[NH3+])CC1 86311331 572912919 /nfs/dbraw/zinc/91/29/19/572912919.db2.gz QOFKAJUUAPDRAW-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](C)N(C)CCN(C)C 86312584 572912999 /nfs/dbraw/zinc/91/29/99/572912999.db2.gz DCXJLGHZMUUMRA-VHSXEESVSA-N 1 3 187.331 0.463 10 0 ACAEHO COCCC[N@H+](C)[C@H](C)[C@@H](C)CN 86312436 572913226 /nfs/dbraw/zinc/91/32/26/572913226.db2.gz WMASGSIWSDVWDX-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCC[N@@H+](C)[C@H](C)[C@@H](C)CN 86312436 572913229 /nfs/dbraw/zinc/91/32/29/572913229.db2.gz WMASGSIWSDVWDX-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO COCCCN(C)[C@H](C)[C@@H](C)C[NH3+] 86312436 572913231 /nfs/dbraw/zinc/91/32/31/572913231.db2.gz WMASGSIWSDVWDX-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CCN(CCOC)[C@@H](C)[C@@H](C)C[NH3+] 86312168 572913308 /nfs/dbraw/zinc/91/33/08/572913308.db2.gz IKYUPXCQWPDZLC-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@H+](CCOC)[C@@H](C)[C@@H](C)CN 86312168 572913311 /nfs/dbraw/zinc/91/33/11/572913311.db2.gz IKYUPXCQWPDZLC-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@@H+](CCOC)[C@@H](C)[C@@H](C)CN 86312168 572913313 /nfs/dbraw/zinc/91/33/13/572913313.db2.gz IKYUPXCQWPDZLC-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1N[C@@H](C)[C@@H](C)[NH3+] 308187748 572913665 /nfs/dbraw/zinc/91/36/65/572913665.db2.gz HBKOWEXIEQWTCA-XFWSIPNHSA-N 1 3 186.299 0.879 10 0 ACAEHO COC[C@H](C)N(C)[C@H](C)[C@@H](C)C[NH3+] 86312054 572913829 /nfs/dbraw/zinc/91/38/29/572913829.db2.gz KKQQNUBEXZRHLP-LPEHRKFASA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@H](C)[C@@H](C)CN 86312054 572913831 /nfs/dbraw/zinc/91/38/31/572913831.db2.gz KKQQNUBEXZRHLP-LPEHRKFASA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@H](C)[C@@H](C)CN 86312054 572913833 /nfs/dbraw/zinc/91/38/33/572913833.db2.gz KKQQNUBEXZRHLP-LPEHRKFASA-N 1 3 188.315 0.936 10 0 ACAEHO CCN(CCOC)[C@H](C)[C@@H](C)C[NH3+] 86312169 572913862 /nfs/dbraw/zinc/91/38/62/572913862.db2.gz IKYUPXCQWPDZLC-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@H+](CCOC)[C@H](C)[C@@H](C)CN 86312169 572913865 /nfs/dbraw/zinc/91/38/65/572913865.db2.gz IKYUPXCQWPDZLC-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@@H+](CCOC)[C@H](C)[C@@H](C)CN 86312169 572913866 /nfs/dbraw/zinc/91/38/66/572913866.db2.gz IKYUPXCQWPDZLC-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](C)N(C)CCN(C)C 86312586 572913934 /nfs/dbraw/zinc/91/39/34/572913934.db2.gz DCXJLGHZMUUMRA-UWVGGRQHSA-N 1 3 187.331 0.463 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N(C)CCN(C)C 86312587 572913947 /nfs/dbraw/zinc/91/39/47/572913947.db2.gz DCXJLGHZMUUMRA-ZJUUUORDSA-N 1 3 187.331 0.463 10 0 ACAEHO COCCN(C)[C@@H](C)[C@H](C)C[NH3+] 86312337 572914337 /nfs/dbraw/zinc/91/43/37/572914337.db2.gz WDJCFQXFYXVNNG-BDAKNGLRSA-N 1 3 174.288 0.548 10 0 ACAEHO CO[C@@H]1CCC[C@@H]1N[C@H](C)[C@@H](C)[NH3+] 308187746 572914523 /nfs/dbraw/zinc/91/45/23/572914523.db2.gz HBKOWEXIEQWTCA-DOLQZWNJSA-N 1 3 186.299 0.879 10 0 ACAEHO COC[C@H](C)N(C)[C@@H](C)[C@@H](C)C[NH3+] 86312056 572914782 /nfs/dbraw/zinc/91/47/82/572914782.db2.gz KKQQNUBEXZRHLP-GUBZILKMSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)CN 86312056 572914784 /nfs/dbraw/zinc/91/47/84/572914784.db2.gz KKQQNUBEXZRHLP-GUBZILKMSA-N 1 3 188.315 0.936 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)CN 86312056 572914787 /nfs/dbraw/zinc/91/47/87/572914787.db2.gz KKQQNUBEXZRHLP-GUBZILKMSA-N 1 3 188.315 0.936 10 0 ACAEHO COCCN(C)[C@H](C)[C@@H](C)C[NH3+] 86312334 572914905 /nfs/dbraw/zinc/91/49/05/572914905.db2.gz WDJCFQXFYXVNNG-DTWKUNHWSA-N 1 3 174.288 0.548 10 0 ACAEHO C[C@H](C[NH3+])CCN1C[C@@H]2CC[C@H](C1)O2 87999829 572914927 /nfs/dbraw/zinc/91/49/27/572914927.db2.gz BTEKIDVDDJNHGC-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO CCN(CC)CC[NH2+][C@@H](C)[C@@H](C)N 308188447 572915526 /nfs/dbraw/zinc/91/55/26/572915526.db2.gz HKPUFVTVKSFPCD-ZJUUUORDSA-N 1 3 187.331 0.654 10 0 ACAEHO CCN(CC)CC[NH2+][C@H](C)[C@@H](C)N 308188441 572915514 /nfs/dbraw/zinc/91/55/14/572915514.db2.gz HKPUFVTVKSFPCD-NXEZZACHSA-N 1 3 187.331 0.654 10 0 ACAEHO C[C@@]1([N@@H+]2CCCNCC2)CCCOC1 235401360 572915664 /nfs/dbraw/zinc/91/56/64/572915664.db2.gz RYIGBSCLYBXNMP-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@@]1([N@H+]2CCCNCC2)CCCOC1 235401360 572915667 /nfs/dbraw/zinc/91/56/67/572915667.db2.gz RYIGBSCLYBXNMP-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@H](C1CCOCC1)N1CC[C@@H]([NH3+])C1 235402146 572916418 /nfs/dbraw/zinc/91/64/18/572916418.db2.gz PPVIQHFYOBMWMK-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@H](C[NH2+]C)O[C@H]1CCN(C)C1 308188505 572916462 /nfs/dbraw/zinc/91/64/62/572916462.db2.gz HNCADJXSKBAQCF-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[C@@H](C[NH2+]C)O[C@@H]1CCN(C)C1 308188503 572916956 /nfs/dbraw/zinc/91/69/56/572916956.db2.gz HNCADJXSKBAQCF-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CCN(CC)CC[NH2+][C@H](C)[C@H](C)N 308188445 572916609 /nfs/dbraw/zinc/91/66/09/572916609.db2.gz HKPUFVTVKSFPCD-VHSXEESVSA-N 1 3 187.331 0.654 10 0 ACAEHO C[C@@]1([N@@H+]2CC[C@@H](CN)C2)CCCOC1 235402102 572916803 /nfs/dbraw/zinc/91/68/03/572916803.db2.gz RCXMBLCAPYIWOU-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1([N@H+]2CC[C@@H](CN)C2)CCCOC1 235402102 572916806 /nfs/dbraw/zinc/91/68/06/572916806.db2.gz RCXMBLCAPYIWOU-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(N2CC[C@@H](C[NH3+])C2)CCCOC1 235402102 572916810 /nfs/dbraw/zinc/91/68/10/572916810.db2.gz RCXMBLCAPYIWOU-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO O[C@@H]1[C@@H]2CCNC[C@H]2C[N@H+]2CCC[C@H]12 257643179 572916850 /nfs/dbraw/zinc/91/68/50/572916850.db2.gz CIIRPUHXUATRRV-LNFKQOIKSA-N 1 3 196.294 0.051 10 0 ACAEHO O[C@@H]1[C@@H]2CCNC[C@H]2C[N@@H+]2CCC[C@H]12 257643179 572916851 /nfs/dbraw/zinc/91/68/51/572916851.db2.gz CIIRPUHXUATRRV-LNFKQOIKSA-N 1 3 196.294 0.051 10 0 ACAEHO CC[C@H](C[NH2+]C)O[C@@H]1CCN(C)C1 308188499 572917578 /nfs/dbraw/zinc/91/75/78/572917578.db2.gz HNCADJXSKBAQCF-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO O[C@H]1[C@@H]2CCC[N@@H+]2C[C@@H]2CNCC[C@H]21 257643181 572917547 /nfs/dbraw/zinc/91/75/47/572917547.db2.gz CIIRPUHXUATRRV-ZRUFSTJUSA-N 1 3 196.294 0.051 10 0 ACAEHO O[C@H]1[C@@H]2CCC[N@H+]2C[C@@H]2CNCC[C@H]21 257643181 572917551 /nfs/dbraw/zinc/91/75/51/572917551.db2.gz CIIRPUHXUATRRV-ZRUFSTJUSA-N 1 3 196.294 0.051 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@@H](N)Cc2cnco2)C1 257656373 572918419 /nfs/dbraw/zinc/91/84/19/572918419.db2.gz NUVKFXJVTXOYTK-WPRPVWTQSA-N 1 3 195.266 0.496 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])c2cncnc2)C1 257656316 572918320 /nfs/dbraw/zinc/91/83/20/572918320.db2.gz BGNYCVWYQOSKMX-WCBMZHEXSA-N 1 3 192.266 0.428 10 0 ACAEHO C[N@H+]1CC[C@H]([C@@H](N)Cc2cnco2)C1 257656373 572918421 /nfs/dbraw/zinc/91/84/21/572918421.db2.gz NUVKFXJVTXOYTK-WPRPVWTQSA-N 1 3 195.266 0.496 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)CCO1 235407832 572919494 /nfs/dbraw/zinc/91/94/94/572919494.db2.gz YXZDNAAHYWTNER-KOLCDFICSA-N 1 3 198.310 0.896 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])c2cncnc2)C1 257656315 572919695 /nfs/dbraw/zinc/91/96/95/572919695.db2.gz BGNYCVWYQOSKMX-PSASIEDQSA-N 1 3 192.266 0.428 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@H](N)Cc2cnco2)C1 257656372 572919847 /nfs/dbraw/zinc/91/98/47/572919847.db2.gz NUVKFXJVTXOYTK-SCZZXKLOSA-N 1 3 195.266 0.496 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@H](N)Cc2cnco2)C1 257656372 572919850 /nfs/dbraw/zinc/91/98/50/572919850.db2.gz NUVKFXJVTXOYTK-SCZZXKLOSA-N 1 3 195.266 0.496 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCC[C@H]1CCO 308192890 572921712 /nfs/dbraw/zinc/92/17/12/572921712.db2.gz KOVBUWDZOHPLIO-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO COCCN(C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223145810 572920574 /nfs/dbraw/zinc/92/05/74/572920574.db2.gz YHGLPIWZRMLLMO-MWLCHTKSSA-N 1 3 198.310 0.977 10 0 ACAEHO NCCC[NH2+]C1CCC(CO)CC1 308192914 572920741 /nfs/dbraw/zinc/92/07/41/572920741.db2.gz KQPFHXDPUWMRQT-UHFFFAOYSA-N 1 3 186.299 0.476 10 0 ACAEHO CCOC(=O)CC[NH2+][C@@H](C)[C@@H](C)N 308190122 572920881 /nfs/dbraw/zinc/92/08/81/572920881.db2.gz IVBKSVCSBXIHLG-SFYZADRCSA-N 1 3 188.271 0.265 10 0 ACAEHO CCOC(=O)CC[NH2+][C@H](C)[C@@H](C)N 308190120 572921036 /nfs/dbraw/zinc/92/10/36/572921036.db2.gz IVBKSVCSBXIHLG-HTQZYQBOSA-N 1 3 188.271 0.265 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCC[C@H]1CCO 308192888 572921310 /nfs/dbraw/zinc/92/13/10/572921310.db2.gz KOVBUWDZOHPLIO-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCC[C@H]1CCO 308192888 572921312 /nfs/dbraw/zinc/92/13/12/572921312.db2.gz KOVBUWDZOHPLIO-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[N@H+](C[C@@H](C)N)[C@@H]1CCOC1 308192934 572921511 /nfs/dbraw/zinc/92/15/11/572921511.db2.gz KSJLMYYCVIDBID-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCC[N@@H+](C[C@@H](C)N)[C@@H]1CCOC1 308192934 572921512 /nfs/dbraw/zinc/92/15/12/572921512.db2.gz KSJLMYYCVIDBID-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCC[C@H]1CCO 308192890 572921714 /nfs/dbraw/zinc/92/17/14/572921714.db2.gz KOVBUWDZOHPLIO-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[N@H+](C[C@H](C)N)[C@H]1CCOC1 308192935 572921731 /nfs/dbraw/zinc/92/17/31/572921731.db2.gz KSJLMYYCVIDBID-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCC[N@@H+](C[C@H](C)N)[C@H]1CCOC1 308192935 572921734 /nfs/dbraw/zinc/92/17/34/572921734.db2.gz KSJLMYYCVIDBID-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCOC(=O)CC[NH2+][C@@H](C)[C@H](C)N 308190123 572922020 /nfs/dbraw/zinc/92/20/20/572922020.db2.gz IVBKSVCSBXIHLG-YUMQZZPRSA-N 1 3 188.271 0.265 10 0 ACAEHO COC(=O)C[C@@H](C)[NH2+]CC(C)(C)N 308190950 572922122 /nfs/dbraw/zinc/92/21/22/572922122.db2.gz JONZGJVNQMIZCI-SSDOTTSWSA-N 1 3 188.271 0.265 10 0 ACAEHO COC(=O)C[C@H](C)[NH2+]CC(C)(C)N 308190952 572922127 /nfs/dbraw/zinc/92/21/27/572922127.db2.gz JONZGJVNQMIZCI-ZETCQYMHSA-N 1 3 188.271 0.265 10 0 ACAEHO CCC[N@H+](C[C@@H](C)N)[C@H]1CCOC1 308192937 572922342 /nfs/dbraw/zinc/92/23/42/572922342.db2.gz KSJLMYYCVIDBID-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CCC[N@@H+](C[C@@H](C)N)[C@H]1CCOC1 308192937 572922344 /nfs/dbraw/zinc/92/23/44/572922344.db2.gz KSJLMYYCVIDBID-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCC[C@@H]1CCO 308192887 572922676 /nfs/dbraw/zinc/92/26/76/572922676.db2.gz KOVBUWDZOHPLIO-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCC[C@@H]1CCO 308192887 572922679 /nfs/dbraw/zinc/92/26/79/572922679.db2.gz KOVBUWDZOHPLIO-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H]1CCO 308192889 572922756 /nfs/dbraw/zinc/92/27/56/572922756.db2.gz KOVBUWDZOHPLIO-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H]1CCO 308192889 572922759 /nfs/dbraw/zinc/92/27/59/572922759.db2.gz KOVBUWDZOHPLIO-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[N@H+](C[C@H](C)N)[C@@H]1CCOC1 308192936 572922771 /nfs/dbraw/zinc/92/27/71/572922771.db2.gz KSJLMYYCVIDBID-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CCC[N@@H+](C[C@H](C)N)[C@@H]1CCOC1 308192936 572922773 /nfs/dbraw/zinc/92/27/73/572922773.db2.gz KSJLMYYCVIDBID-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@H+](C)C[C@H](N)CCCOC 88005254 572922993 /nfs/dbraw/zinc/92/29/93/572922993.db2.gz ATUTWRNCQZJGEU-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CC[N@@H+](C)C[C@H](N)CCCOC 88005254 572922995 /nfs/dbraw/zinc/92/29/95/572922995.db2.gz ATUTWRNCQZJGEU-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CC[N@H+](C)C[C@@H](N)CCCOC 88005255 572923120 /nfs/dbraw/zinc/92/31/20/572923120.db2.gz ATUTWRNCQZJGEU-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CC[N@@H+](C)C[C@@H](N)CCCOC 88005255 572923123 /nfs/dbraw/zinc/92/31/23/572923123.db2.gz ATUTWRNCQZJGEU-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CC(C)([NH3+])CNCCc1ncc[nH]1 308194546 572923305 /nfs/dbraw/zinc/92/33/05/572923305.db2.gz LRNNFGHQCZMCCH-UHFFFAOYSA-N 1 3 182.271 0.279 10 0 ACAEHO CC(C)(N)C[NH2+]CCc1ncc[nH]1 308194546 572923307 /nfs/dbraw/zinc/92/33/07/572923307.db2.gz LRNNFGHQCZMCCH-UHFFFAOYSA-N 1 3 182.271 0.279 10 0 ACAEHO C[C@@H]([C@H]1CCCO1)N(C)CCC[NH3+] 308194295 572923905 /nfs/dbraw/zinc/92/39/05/572923905.db2.gz LNQXQPIECXTALR-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN(C)CCNCC(C)(C)[NH2+]C 308193294 572924079 /nfs/dbraw/zinc/92/40/79/572924079.db2.gz KVPSUTJYIXJZQN-UHFFFAOYSA-N 1 3 187.331 0.526 10 0 ACAEHO CN1CC[C@@H](OCC[NH2+]C2CC2)C1 308193738 572924240 /nfs/dbraw/zinc/92/42/40/572924240.db2.gz LFSFTNBGSSZKIN-SNVBAGLBSA-N 1 3 184.283 0.459 10 0 ACAEHO CN1CC[C@H](OCC[NH2+]C2CC2)C1 308193737 572924377 /nfs/dbraw/zinc/92/43/77/572924377.db2.gz LFSFTNBGSSZKIN-JTQLQIEISA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)N(C)CCC[NH3+] 308194300 572924774 /nfs/dbraw/zinc/92/47/74/572924774.db2.gz LNQXQPIECXTALR-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CCCN(C)C[C@H]1COCC[C@H]1[NH3+] 299969730 572926797 /nfs/dbraw/zinc/92/67/97/572926797.db2.gz RSNNMNYAOUXYBY-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO COC1CCC(N2CC(C[NH3+])C2)CC1 686340640 572926894 /nfs/dbraw/zinc/92/68/94/572926894.db2.gz WBJIJXBNPHMTKY-UHFFFAOYSA-N 1 3 198.310 0.835 10 0 ACAEHO Nc1nc2ccc(F)cc2n1CC[NH3+] 75947279 572927105 /nfs/dbraw/zinc/92/71/05/572927105.db2.gz JFIKWPDDPQVNOA-UHFFFAOYSA-N 1 3 194.213 0.716 10 0 ACAEHO CC[N@H+](CC1(N)CC1)[C@@H]1CCOC1 308199081 572927293 /nfs/dbraw/zinc/92/72/93/572927293.db2.gz ORTJAHFEPGZFDI-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO CC[N@@H+](CC1(N)CC1)[C@@H]1CCOC1 308199081 572927295 /nfs/dbraw/zinc/92/72/95/572927295.db2.gz ORTJAHFEPGZFDI-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO Nc1nc2cc(O)ccc2n1CC[NH3+] 75947268 572927596 /nfs/dbraw/zinc/92/75/96/572927596.db2.gz JQPSSEGJVIPHFE-UHFFFAOYSA-N 1 3 192.222 0.283 10 0 ACAEHO CC(C)[NH2+]C[C@](C)(O)[C@H]1C=CCN1 308200610 572929134 /nfs/dbraw/zinc/92/91/34/572929134.db2.gz UTODMWZZFSVUJG-ZJUUUORDSA-N 1 3 184.283 0.263 10 0 ACAEHO CCN([C@@H](C)CC[NH3+])[C@@H]1CCOC1 308201446 572928282 /nfs/dbraw/zinc/92/82/82/572928282.db2.gz QDEVECSUVRADFP-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)NC[C@@](C)(O)[C@H]1C=CC[NH2+]1 308200607 572928435 /nfs/dbraw/zinc/92/84/35/572928435.db2.gz UTODMWZZFSVUJG-NXEZZACHSA-N 1 3 184.283 0.263 10 0 ACAEHO CC(C)[NH2+]C[C@@](C)(O)[C@H]1C=CCN1 308200607 572928437 /nfs/dbraw/zinc/92/84/37/572928437.db2.gz UTODMWZZFSVUJG-NXEZZACHSA-N 1 3 184.283 0.263 10 0 ACAEHO CCN([C@H]1CCOC1)[C@H](C)CC[NH3+] 308201452 572928799 /nfs/dbraw/zinc/92/87/99/572928799.db2.gz QDEVECSUVRADFP-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)NC[C@](C)(O)[C@H]1C=CC[NH2+]1 308200610 572929132 /nfs/dbraw/zinc/92/91/32/572929132.db2.gz UTODMWZZFSVUJG-ZJUUUORDSA-N 1 3 184.283 0.263 10 0 ACAEHO CC(C)N(C)CC[NH2+]CC(C)(C)N 308207250 572929601 /nfs/dbraw/zinc/92/96/01/572929601.db2.gz ULUPHIBJAMJPKC-UHFFFAOYSA-N 1 3 187.331 0.654 10 0 ACAEHO CC(C)N(C)CCNCC(C)(C)[NH3+] 308207250 572929603 /nfs/dbraw/zinc/92/96/03/572929603.db2.gz ULUPHIBJAMJPKC-UHFFFAOYSA-N 1 3 187.331 0.654 10 0 ACAEHO CC(C)NC[C@](C)(O)[C@@H]1C=CC[NH2+]1 308200608 572929810 /nfs/dbraw/zinc/92/98/10/572929810.db2.gz UTODMWZZFSVUJG-UWVGGRQHSA-N 1 3 184.283 0.263 10 0 ACAEHO CC(C)[NH2+]C[C@](C)(O)[C@@H]1C=CCN1 308200608 572929812 /nfs/dbraw/zinc/92/98/12/572929812.db2.gz UTODMWZZFSVUJG-UWVGGRQHSA-N 1 3 184.283 0.263 10 0 ACAEHO CC(C)NC[C@@](C)(O)[C@@H]1C=CC[NH2+]1 308200609 572929952 /nfs/dbraw/zinc/92/99/52/572929952.db2.gz UTODMWZZFSVUJG-VHSXEESVSA-N 1 3 184.283 0.263 10 0 ACAEHO CC(C)[NH2+]C[C@@](C)(O)[C@@H]1C=CCN1 308200609 572929953 /nfs/dbraw/zinc/92/99/53/572929953.db2.gz UTODMWZZFSVUJG-VHSXEESVSA-N 1 3 184.283 0.263 10 0 ACAEHO CC(C)([NH3+])CCNCC1CC(O)C1 308203723 572930216 /nfs/dbraw/zinc/93/02/16/572930216.db2.gz ROGXOFISQCMFSC-UHFFFAOYSA-N 1 3 186.299 0.474 10 0 ACAEHO CC(C)(N)CC[NH2+]CC1CC(O)C1 308203723 572930219 /nfs/dbraw/zinc/93/02/19/572930219.db2.gz ROGXOFISQCMFSC-UHFFFAOYSA-N 1 3 186.299 0.474 10 0 ACAEHO CN(C)CCN[C@H]1CCC[C@@H]([NH3+])C1 86401491 572930308 /nfs/dbraw/zinc/93/03/08/572930308.db2.gz DADTWFYADLAIGK-ZJUUUORDSA-N 1 3 185.315 0.408 10 0 ACAEHO CN(C)CCN[C@@H]1CC[C@@H]([NH3+])C1 86396743 572930321 /nfs/dbraw/zinc/93/03/21/572930321.db2.gz WOOILCJSNIXGBA-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO CCOCCN[C@H]1CC[C@@H]([NH3+])C1 86398573 572930352 /nfs/dbraw/zinc/93/03/52/572930352.db2.gz OMAZSMMJYJUPBE-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NCCc2c[nH]cn2)C1 86401112 572930378 /nfs/dbraw/zinc/93/03/78/572930378.db2.gz IXPJPESSGTUJRF-DTWKUNHWSA-N 1 3 194.282 0.422 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](NCCCO)C1 86402426 572930430 /nfs/dbraw/zinc/93/04/30/572930430.db2.gz JUIPFPNDDHEQLR-DTWKUNHWSA-N 1 3 172.272 0.228 10 0 ACAEHO N[C@H]1CCC[C@@H]([NH2+]CCCO)C1 86402426 572930437 /nfs/dbraw/zinc/93/04/37/572930437.db2.gz JUIPFPNDDHEQLR-DTWKUNHWSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NCCn2ccnc2)C1 86399712 572930499 /nfs/dbraw/zinc/93/04/99/572930499.db2.gz JECCSZOOTLJFAD-VHSXEESVSA-N 1 3 194.282 0.353 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NCCn2cccn2)C1 86399744 572930560 /nfs/dbraw/zinc/93/05/60/572930560.db2.gz NRRWAGDEQNUZOA-VHSXEESVSA-N 1 3 194.282 0.353 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCCn2cccn2)C1 86399748 572930613 /nfs/dbraw/zinc/93/06/13/572930613.db2.gz NRRWAGDEQNUZOA-UWVGGRQHSA-N 1 3 194.282 0.353 10 0 ACAEHO COC(=O)CCN[C@@H]1CC[C@H]([NH3+])C1 86398266 572930681 /nfs/dbraw/zinc/93/06/81/572930681.db2.gz IFDCVRZIGCCNEC-JGVFFNPUSA-N 1 3 186.255 0.019 10 0 ACAEHO C[C@H](CCO)C[NH2+][C@H]1CC[C@H](N)C1 86401311 572930877 /nfs/dbraw/zinc/93/08/77/572930877.db2.gz NBZRZCAQHBNGGB-UTLUCORTSA-N 1 3 186.299 0.474 10 0 ACAEHO COCCC[C@@H]([NH3+])CNCCCF 308203609 572930770 /nfs/dbraw/zinc/93/07/70/572930770.db2.gz XCYUIAVPEUDZIN-SECBINFHSA-N 1 3 192.278 0.690 10 0 ACAEHO CN(C)CCN[C@@H]1CCC[C@H]([NH3+])C1 86401486 572930811 /nfs/dbraw/zinc/93/08/11/572930811.db2.gz DADTWFYADLAIGK-VHSXEESVSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@H](CO)C[NH2+][C@@H]1CC[C@H](N)C1 86401038 572930826 /nfs/dbraw/zinc/93/08/26/572930826.db2.gz YVJKDHDTFSYIOZ-XHNCKOQMSA-N 1 3 172.272 0.084 10 0 ACAEHO COCCC[C@H]([NH3+])CNCCCF 308203610 572930884 /nfs/dbraw/zinc/93/08/84/572930884.db2.gz XCYUIAVPEUDZIN-VIFPVBQESA-N 1 3 192.278 0.690 10 0 ACAEHO C[C@H](CO)CN[C@@H]1CC[C@H]([NH3+])C1 86401038 572930830 /nfs/dbraw/zinc/93/08/30/572930830.db2.gz YVJKDHDTFSYIOZ-XHNCKOQMSA-N 1 3 172.272 0.084 10 0 ACAEHO COC(=O)CCN[C@H]1CC[C@H]([NH3+])C1 86398269 572930836 /nfs/dbraw/zinc/93/08/36/572930836.db2.gz IFDCVRZIGCCNEC-YUMQZZPRSA-N 1 3 186.255 0.019 10 0 ACAEHO CN(CCN[C@@H]1CC[C@H]([NH3+])C1)C1CC1 86400448 572930855 /nfs/dbraw/zinc/93/08/55/572930855.db2.gz HNRBWXFGVHTVNY-VHSXEESVSA-N 1 3 197.326 0.550 10 0 ACAEHO CC(C)N1CC[C@H]([NH3+])[C@@H](CO)C1 250533107 572931123 /nfs/dbraw/zinc/93/11/23/572931123.db2.gz XXLCBRUYWGIKSI-BDAKNGLRSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H](N)[C@@H](CO)C1 250533107 572931125 /nfs/dbraw/zinc/93/11/25/572931125.db2.gz XXLCBRUYWGIKSI-BDAKNGLRSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@H+]1CC[C@H](N)[C@@H](CO)C1 250533107 572931127 /nfs/dbraw/zinc/93/11/27/572931127.db2.gz XXLCBRUYWGIKSI-BDAKNGLRSA-N 1 3 172.272 0.036 10 0 ACAEHO CN(C)CCN[C@H]1CC[C@@H]([NH3+])C1 86396746 572931151 /nfs/dbraw/zinc/93/11/51/572931151.db2.gz WOOILCJSNIXGBA-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO COCCC[NH2+][C@@H]1CC[C@H](N)C1 86397906 572931189 /nfs/dbraw/zinc/93/11/89/572931189.db2.gz HLERDLIAMMPZKZ-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO CCOCCC[NH2+][C@H]1CC[C@@H](N)C1 86397557 572931217 /nfs/dbraw/zinc/93/12/17/572931217.db2.gz FHDUAFDIOSHCFJ-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H](C)CN(C)C[C@H](C)[C@H](C)[NH3+] 308203026 572931231 /nfs/dbraw/zinc/93/12/31/572931231.db2.gz FZTIPCKDUGQZBQ-AEJSXWLSSA-N 1 3 188.315 0.936 10 0 ACAEHO CCN(CC)CCN[C@@H]1CC[C@@H]([NH3+])C1 86397294 572931232 /nfs/dbraw/zinc/93/12/32/572931232.db2.gz CVELQPPPAXLWCF-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO CCOC[C@H](C)N[C@@H]1CC[C@H]([NH3+])C1 86400036 572931291 /nfs/dbraw/zinc/93/12/91/572931291.db2.gz WWLATKCMOQOGOK-LPEHRKFASA-N 1 3 186.299 0.881 10 0 ACAEHO CCN(CC)CCN[C@H]1CC[C@H]([NH3+])C1 86397292 572931307 /nfs/dbraw/zinc/93/13/07/572931307.db2.gz CVELQPPPAXLWCF-QWRGUYRKSA-N 1 3 199.342 0.798 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NCCn2cccn2)C1 86399749 572931357 /nfs/dbraw/zinc/93/13/57/572931357.db2.gz NRRWAGDEQNUZOA-NXEZZACHSA-N 1 3 194.282 0.353 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CC[C@H]([NH3+])C1 86401015 572931461 /nfs/dbraw/zinc/93/14/61/572931461.db2.gz YBOJIVSGTMAEJZ-XHNCKOQMSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CC[C@H](N)C1 86401015 572931464 /nfs/dbraw/zinc/93/14/64/572931464.db2.gz YBOJIVSGTMAEJZ-XHNCKOQMSA-N 1 3 172.272 0.227 10 0 ACAEHO CN(C)CCN[C@@H]1CC[C@H]([NH3+])C1 86396740 572931479 /nfs/dbraw/zinc/93/14/79/572931479.db2.gz WOOILCJSNIXGBA-DTWKUNHWSA-N 1 3 171.288 0.017 10 0 ACAEHO CCOCCC[NH2+][C@H]1CC[C@H](N)C1 86397553 572931492 /nfs/dbraw/zinc/93/14/92/572931492.db2.gz FHDUAFDIOSHCFJ-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CN(C)CCN[C@H]1CCC[C@H]([NH3+])C1 86401488 572931531 /nfs/dbraw/zinc/93/15/31/572931531.db2.gz DADTWFYADLAIGK-UWVGGRQHSA-N 1 3 185.315 0.408 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCCn2ccnc2)C1 86399714 572931543 /nfs/dbraw/zinc/93/15/43/572931543.db2.gz JECCSZOOTLJFAD-UWVGGRQHSA-N 1 3 194.282 0.353 10 0 ACAEHO CCOCCC[NH2+][C@@H]1CC[C@H](N)C1 86397552 572931565 /nfs/dbraw/zinc/93/15/65/572931565.db2.gz FHDUAFDIOSHCFJ-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)N(C)CCN[C@H]1CC[C@H]([NH3+])C1 86400338 572931579 /nfs/dbraw/zinc/93/15/79/572931579.db2.gz SBERIRZZUJDCCQ-QWRGUYRKSA-N 1 3 199.342 0.796 10 0 ACAEHO CC[C@H](COC)N[C@@H]1CC[C@H]([NH3+])C1 86400849 572931588 /nfs/dbraw/zinc/93/15/88/572931588.db2.gz BVIVLICDAOYJJJ-IVZWLZJFSA-N 1 3 186.299 0.881 10 0 ACAEHO CCOCCC[NH2+][C@@H]1CC[C@@H](N)C1 86397555 572931609 /nfs/dbraw/zinc/93/16/09/572931609.db2.gz FHDUAFDIOSHCFJ-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CO[C@H](C)CN(C)C[C@H](C)[C@@H](C)[NH3+] 308203048 572931639 /nfs/dbraw/zinc/93/16/39/572931639.db2.gz FZTIPCKDUGQZBQ-IVZWLZJFSA-N 1 3 188.315 0.936 10 0 ACAEHO C[C@H](CO)C[NH2+][C@H]1CC[C@H](N)C1 86401041 572931643 /nfs/dbraw/zinc/93/16/43/572931643.db2.gz YVJKDHDTFSYIOZ-CIUDSAMLSA-N 1 3 172.272 0.084 10 0 ACAEHO C[C@H](CO)CN[C@H]1CC[C@H]([NH3+])C1 86401041 572931646 /nfs/dbraw/zinc/93/16/46/572931646.db2.gz YVJKDHDTFSYIOZ-CIUDSAMLSA-N 1 3 172.272 0.084 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](NCCCO)C1 86402429 572931683 /nfs/dbraw/zinc/93/16/83/572931683.db2.gz JUIPFPNDDHEQLR-IUCAKERBSA-N 1 3 172.272 0.228 10 0 ACAEHO N[C@H]1CCC[C@H]([NH2+]CCCO)C1 86402429 572931684 /nfs/dbraw/zinc/93/16/84/572931684.db2.gz JUIPFPNDDHEQLR-IUCAKERBSA-N 1 3 172.272 0.228 10 0 ACAEHO COCCC[NH2+][C@H]1CC[C@H](N)C1 86397907 572931686 /nfs/dbraw/zinc/93/16/86/572931686.db2.gz HLERDLIAMMPZKZ-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CO[C@](C)(CNC[C@@H](C)[NH3+])C1CC1 308202664 572931701 /nfs/dbraw/zinc/93/17/01/572931701.db2.gz QTRMVYNZFTXAGA-PSASIEDQSA-N 1 3 186.299 0.738 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](NCCCO)C1 86402431 572931749 /nfs/dbraw/zinc/93/17/49/572931749.db2.gz JUIPFPNDDHEQLR-BDAKNGLRSA-N 1 3 172.272 0.228 10 0 ACAEHO N[C@@H]1CCC[C@H]([NH2+]CCCO)C1 86402431 572931751 /nfs/dbraw/zinc/93/17/51/572931751.db2.gz JUIPFPNDDHEQLR-BDAKNGLRSA-N 1 3 172.272 0.228 10 0 ACAEHO COCC[C@H](C)[NH2+][C@@H]1CC[C@H](N)C1 86400950 572931761 /nfs/dbraw/zinc/93/17/61/572931761.db2.gz PGDLUHHWPGWFRF-LPEHRKFASA-N 1 3 186.299 0.881 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NCCc2c[nH]cn2)C1 86401117 572931783 /nfs/dbraw/zinc/93/17/83/572931783.db2.gz IXPJPESSGTUJRF-BDAKNGLRSA-N 1 3 194.282 0.422 10 0 ACAEHO CCOCCN[C@H]1CC[C@H]([NH3+])C1 86398569 572931794 /nfs/dbraw/zinc/93/17/94/572931794.db2.gz OMAZSMMJYJUPBE-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CCOCCN[C@@H]1CC[C@H]([NH3+])C1 86398567 572931830 /nfs/dbraw/zinc/93/18/30/572931830.db2.gz OMAZSMMJYJUPBE-DTWKUNHWSA-N 1 3 172.272 0.492 10 0 ACAEHO CCOC[C@H](C)N[C@H]1CC[C@H]([NH3+])C1 86400039 572931974 /nfs/dbraw/zinc/93/19/74/572931974.db2.gz WWLATKCMOQOGOK-GUBZILKMSA-N 1 3 186.299 0.881 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NCCn2ccnc2)C1 86399717 572931990 /nfs/dbraw/zinc/93/19/90/572931990.db2.gz JECCSZOOTLJFAD-NXEZZACHSA-N 1 3 194.282 0.353 10 0 ACAEHO CCOCCN[C@@H]1CC[C@@H]([NH3+])C1 86398571 572932007 /nfs/dbraw/zinc/93/20/07/572932007.db2.gz OMAZSMMJYJUPBE-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO COCCC[NH2+][C@@H]1CC[C@@H](N)C1 86397910 572932087 /nfs/dbraw/zinc/93/20/87/572932087.db2.gz HLERDLIAMMPZKZ-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCCF 88026427 572932138 /nfs/dbraw/zinc/93/21/38/572932138.db2.gz KMEVBBYUUXHHDZ-AEJSXWLSSA-N 1 3 186.274 0.886 10 0 ACAEHO C[C@H](O)CCN[C@H]1CC[C@H]([NH3+])C1 86401018 572932165 /nfs/dbraw/zinc/93/21/65/572932165.db2.gz YBOJIVSGTMAEJZ-CIUDSAMLSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CC[C@H](N)C1 86401018 572932169 /nfs/dbraw/zinc/93/21/69/572932169.db2.gz YBOJIVSGTMAEJZ-CIUDSAMLSA-N 1 3 172.272 0.227 10 0 ACAEHO COCCCC[NH2+][C@H]1CC[C@@H](N)C1 86400020 572932181 /nfs/dbraw/zinc/93/21/81/572932181.db2.gz ZRJHTSVQKJVZFF-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NCCc2c[nH]cn2)C1 86401116 572932197 /nfs/dbraw/zinc/93/21/97/572932197.db2.gz IXPJPESSGTUJRF-RKDXNWHRSA-N 1 3 194.282 0.422 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NCCn2ccnc2)C1 86399718 572932278 /nfs/dbraw/zinc/93/22/78/572932278.db2.gz JECCSZOOTLJFAD-ZJUUUORDSA-N 1 3 194.282 0.353 10 0 ACAEHO COCCCC[NH2+][C@@H]1CC[C@@H](N)C1 86400018 572932364 /nfs/dbraw/zinc/93/23/64/572932364.db2.gz ZRJHTSVQKJVZFF-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO CCN(CC)CCN[C@@H]1CC[C@H]([NH3+])C1 86397290 572932404 /nfs/dbraw/zinc/93/24/04/572932404.db2.gz CVELQPPPAXLWCF-WDEREUQCSA-N 1 3 199.342 0.798 10 0 ACAEHO COC[C@H](C)C[NH2+][C@@H]1CC[C@H](N)C1 86400141 572932457 /nfs/dbraw/zinc/93/24/57/572932457.db2.gz NJJPOKMUVAWXBR-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO CC[C@H](CO)N[C@H]1CC[C@H]([NH3+])C1 86398025 572932479 /nfs/dbraw/zinc/93/24/79/572932479.db2.gz JRSCAMDFSACBQV-YIZRAAEISA-N 1 3 172.272 0.227 10 0 ACAEHO CC[C@H](COC)N[C@H]1CC[C@H]([NH3+])C1 86400854 572932535 /nfs/dbraw/zinc/93/25/35/572932535.db2.gz BVIVLICDAOYJJJ-AEJSXWLSSA-N 1 3 186.299 0.881 10 0 ACAEHO COC(=O)CCN[C@H]1CC[C@@H]([NH3+])C1 86398272 572932546 /nfs/dbraw/zinc/93/25/46/572932546.db2.gz IFDCVRZIGCCNEC-SFYZADRCSA-N 1 3 186.255 0.019 10 0 ACAEHO COC[C@H](C)N[C@H]1CC[C@H]([NH3+])C1 86397078 572932593 /nfs/dbraw/zinc/93/25/93/572932593.db2.gz MQBVPJDVATVBMW-CIUDSAMLSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H](CCO)C[NH2+][C@@H]1CC[C@H](N)C1 86401308 572932601 /nfs/dbraw/zinc/93/26/01/572932601.db2.gz NBZRZCAQHBNGGB-KXUCPTDWSA-N 1 3 186.299 0.474 10 0 ACAEHO COCCCC[NH2+][C@@H]1CC[C@H](N)C1 86400015 572932644 /nfs/dbraw/zinc/93/26/44/572932644.db2.gz ZRJHTSVQKJVZFF-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CN(C)CCN[C@H]1CC[C@H]([NH3+])C1 86396742 572932678 /nfs/dbraw/zinc/93/26/78/572932678.db2.gz WOOILCJSNIXGBA-IUCAKERBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCCF 88026429 572932741 /nfs/dbraw/zinc/93/27/41/572932741.db2.gz KMEVBBYUUXHHDZ-IVZWLZJFSA-N 1 3 186.274 0.886 10 0 ACAEHO COC[C@H](C)N[C@@H]1CC[C@H]([NH3+])C1 86397074 572932743 /nfs/dbraw/zinc/93/27/43/572932743.db2.gz MQBVPJDVATVBMW-XHNCKOQMSA-N 1 3 172.272 0.491 10 0 ACAEHO COCCC[NH2+][C@H]1CC[C@@H](N)C1 86397911 572932835 /nfs/dbraw/zinc/93/28/35/572932835.db2.gz HLERDLIAMMPZKZ-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO COCC[C@H](C)[NH2+][C@H]1CC[C@H](N)C1 86400955 572932840 /nfs/dbraw/zinc/93/28/40/572932840.db2.gz PGDLUHHWPGWFRF-GUBZILKMSA-N 1 3 186.299 0.881 10 0 ACAEHO CC(C)N(C)CCN[C@@H]1CC[C@H]([NH3+])C1 86400336 572932874 /nfs/dbraw/zinc/93/28/74/572932874.db2.gz SBERIRZZUJDCCQ-WDEREUQCSA-N 1 3 199.342 0.796 10 0 ACAEHO COC[C@H](C)C[NH2+][C@H]1CC[C@H](N)C1 86400145 572932970 /nfs/dbraw/zinc/93/29/70/572932970.db2.gz NJJPOKMUVAWXBR-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO CN(C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 86401490 572932995 /nfs/dbraw/zinc/93/29/95/572932995.db2.gz DADTWFYADLAIGK-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](NCCCO)C1 86402427 572933008 /nfs/dbraw/zinc/93/30/08/572933008.db2.gz JUIPFPNDDHEQLR-RKDXNWHRSA-N 1 3 172.272 0.228 10 0 ACAEHO N[C@@H]1CCC[C@@H]([NH2+]CCCO)C1 86402427 572933010 /nfs/dbraw/zinc/93/30/10/572933010.db2.gz JUIPFPNDDHEQLR-RKDXNWHRSA-N 1 3 172.272 0.228 10 0 ACAEHO CN(CCN[C@H]1CC[C@H]([NH3+])C1)C1CC1 86400450 572933039 /nfs/dbraw/zinc/93/30/39/572933039.db2.gz HNRBWXFGVHTVNY-UWVGGRQHSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]C[C@@H]1CCCN1C 308204506 572933144 /nfs/dbraw/zinc/93/31/44/572933144.db2.gz RUYHLSLQJIGPBZ-GUBZILKMSA-N 1 3 185.315 0.406 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NC[C@@H]1CCCN1C 308204506 572933147 /nfs/dbraw/zinc/93/31/47/572933147.db2.gz RUYHLSLQJIGPBZ-GUBZILKMSA-N 1 3 185.315 0.406 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]C[C@@H]1CCCN1C 308204505 572933167 /nfs/dbraw/zinc/93/31/67/572933167.db2.gz RUYHLSLQJIGPBZ-AEJSXWLSSA-N 1 3 185.315 0.406 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NC[C@@H]1CCCN1C 308204505 572933168 /nfs/dbraw/zinc/93/31/68/572933168.db2.gz RUYHLSLQJIGPBZ-AEJSXWLSSA-N 1 3 185.315 0.406 10 0 ACAEHO CN(C)CCO[C@@H]1CCC[C@H]([NH3+])C1 86407779 572933783 /nfs/dbraw/zinc/93/37/83/572933783.db2.gz KXAKNCHIIVDPJU-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@](C)(CO)NCCC(C)(C)[NH3+] 308205863 572935886 /nfs/dbraw/zinc/93/58/86/572935886.db2.gz HSWPRUZEFSYHQU-SNVBAGLBSA-N 1 3 188.315 0.864 10 0 ACAEHO CN(C)CCO[C@@H]1CCC[C@@H]([NH3+])C1 86407781 572933473 /nfs/dbraw/zinc/93/34/73/572933473.db2.gz KXAKNCHIIVDPJU-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)[NH2+]CCn1nncc1CN 238105790 572933657 /nfs/dbraw/zinc/93/36/57/572933657.db2.gz HXHLRXVVEAQQHK-UHFFFAOYSA-N 1 3 197.286 0.125 10 0 ACAEHO NC(=O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 86403227 572934691 /nfs/dbraw/zinc/93/46/91/572934691.db2.gz PDALTHLIPUEUBV-DTWKUNHWSA-N 1 3 199.298 0.111 10 0 ACAEHO CN(C)CCO[C@H]1CCC[C@H]([NH3+])C1 86407780 572934328 /nfs/dbraw/zinc/93/43/28/572934328.db2.gz KXAKNCHIIVDPJU-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO NC(=O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 86403233 572934385 /nfs/dbraw/zinc/93/43/85/572934385.db2.gz PDALTHLIPUEUBV-BDAKNGLRSA-N 1 3 199.298 0.111 10 0 ACAEHO CN(C)CCO[C@H]1CC[C@H]([NH3+])C1 86406794 572934512 /nfs/dbraw/zinc/93/45/12/572934512.db2.gz QOMUUGZBBCKARJ-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO NC(=O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 86403229 572934925 /nfs/dbraw/zinc/93/49/25/572934925.db2.gz PDALTHLIPUEUBV-RKDXNWHRSA-N 1 3 199.298 0.111 10 0 ACAEHO CCOC1CC(N[C@@H](C)[C@H](C)[NH3+])C1 308206853 572934974 /nfs/dbraw/zinc/93/49/74/572934974.db2.gz UAQCPRKGCUMFDO-DKEVHCRPSA-N 1 3 186.299 0.879 10 0 ACAEHO C[C@@H]1CC[C@@H](CNC(C)(C)C[NH3+])O1 308205748 572936482 /nfs/dbraw/zinc/93/64/82/572936482.db2.gz YQHXHPIFWSDYFR-BDAKNGLRSA-N 1 3 186.299 0.881 10 0 ACAEHO CCN(C/C=C/C[NH3+])[C@@H]1CCOC1 308206346 572935213 /nfs/dbraw/zinc/93/52/13/572935213.db2.gz TVWNIUDVBVMPQX-HMDXOVGESA-N 1 3 184.283 0.612 10 0 ACAEHO CCN(C/C=C\C[NH3+])[C@@H]1CCOC1 308206348 572935246 /nfs/dbraw/zinc/93/52/46/572935246.db2.gz TVWNIUDVBVMPQX-UMBAGQNISA-N 1 3 184.283 0.612 10 0 ACAEHO NC(=O)CCC[NH2+][C@H]1CCC[C@H](N)C1 86403231 572935359 /nfs/dbraw/zinc/93/53/59/572935359.db2.gz PDALTHLIPUEUBV-IUCAKERBSA-N 1 3 199.298 0.111 10 0 ACAEHO CN(C)CCO[C@H]1CC[C@@H]([NH3+])C1 86406797 572935401 /nfs/dbraw/zinc/93/54/01/572935401.db2.gz QOMUUGZBBCKARJ-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CC[C@@](C)(CO)NCCC(C)(C)[NH3+] 308205862 572936456 /nfs/dbraw/zinc/93/64/56/572936456.db2.gz HSWPRUZEFSYHQU-JTQLQIEISA-N 1 3 188.315 0.864 10 0 ACAEHO CCN(CCOC)[C@@H]1CC[C@H]([NH3+])C1 86432020 572936461 /nfs/dbraw/zinc/93/64/61/572936461.db2.gz XFLLCSGQNSPLCT-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@](C)(CCO)NCC(C)(C)[NH3+] 308206409 572935512 /nfs/dbraw/zinc/93/55/12/572935512.db2.gz TYAHPAPEUZCODM-SNVBAGLBSA-N 1 3 188.315 0.864 10 0 ACAEHO CN(C)CCO[C@H]1CCC[C@@H]([NH3+])C1 86407782 572935630 /nfs/dbraw/zinc/93/56/30/572935630.db2.gz KXAKNCHIIVDPJU-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1CC[C@@H](CNC(C)(C)C[NH3+])O1 308205750 572935666 /nfs/dbraw/zinc/93/56/66/572935666.db2.gz YQHXHPIFWSDYFR-IUCAKERBSA-N 1 3 186.299 0.881 10 0 ACAEHO CCOC1CC(N[C@@H](C)[C@@H](C)[NH3+])C1 308206855 572935684 /nfs/dbraw/zinc/93/56/84/572935684.db2.gz UAQCPRKGCUMFDO-XHHQTKHESA-N 1 3 186.299 0.879 10 0 ACAEHO CO[C@@H]1CC[C@H](N2CCC([NH3+])CC2)C1 234914720 572935730 /nfs/dbraw/zinc/93/57/30/572935730.db2.gz DBXLEFKIHORJHJ-WDEREUQCSA-N 1 3 198.310 0.977 10 0 ACAEHO CCOC1CC(N[C@H](C)[C@@H](C)[NH3+])C1 308206854 572935827 /nfs/dbraw/zinc/93/58/27/572935827.db2.gz UAQCPRKGCUMFDO-LGUIWLBCSA-N 1 3 186.299 0.879 10 0 ACAEHO CCN(C/C=C/C[NH3+])[C@H]1CCOC1 308206344 572936073 /nfs/dbraw/zinc/93/60/73/572936073.db2.gz TVWNIUDVBVMPQX-FSIBCCDJSA-N 1 3 184.283 0.612 10 0 ACAEHO COCCCN(C)[C@H]1CC[C@H]([NH3+])C1 86432767 572936096 /nfs/dbraw/zinc/93/60/96/572936096.db2.gz VTDGWKRLVTUQSF-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCOC1CC(N[C@H](C)[C@H](C)[NH3+])C1 308206852 572936184 /nfs/dbraw/zinc/93/61/84/572936184.db2.gz UAQCPRKGCUMFDO-AFWXGSBKSA-N 1 3 186.299 0.879 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](N(CCO)C2CC2)C1 86432272 572936221 /nfs/dbraw/zinc/93/62/21/572936221.db2.gz PFAPTUQSSXEVAT-GXSJLCMTSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](N(CCO)C2CC2)C1 86432275 572936334 /nfs/dbraw/zinc/93/63/34/572936334.db2.gz PFAPTUQSSXEVAT-ONGXEEELSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N(CCO)C2CC2)C1 86432280 572936437 /nfs/dbraw/zinc/93/64/37/572936437.db2.gz HETQTWYANIZJLH-WCBMZHEXSA-N 1 3 184.283 0.323 10 0 ACAEHO CC(C)N(CCO)C1CC[NH2+]CC1 86432247 572936412 /nfs/dbraw/zinc/93/64/12/572936412.db2.gz RYURDZATSZRPRP-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N(CCO)C2CC2)C1 86432282 572936388 /nfs/dbraw/zinc/93/63/88/572936388.db2.gz HETQTWYANIZJLH-WPRPVWTQSA-N 1 3 184.283 0.323 10 0 ACAEHO CC(C)[N@H+](CCO)C1CCNCC1 86432247 572936408 /nfs/dbraw/zinc/93/64/08/572936408.db2.gz RYURDZATSZRPRP-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO CC(C)[N@@H+](CCO)C1CCNCC1 86432247 572936410 /nfs/dbraw/zinc/93/64/10/572936410.db2.gz RYURDZATSZRPRP-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO CN(C)CCN(C)[C@H]1CC[C@H]([NH3+])C1 86432882 572937037 /nfs/dbraw/zinc/93/70/37/572937037.db2.gz MILRAAGMHLHBEY-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@](C)(CCO)NCC(C)(C)[NH3+] 308206407 572936611 /nfs/dbraw/zinc/93/66/11/572936611.db2.gz TYAHPAPEUZCODM-JTQLQIEISA-N 1 3 188.315 0.864 10 0 ACAEHO C[C@H]1CC[C@H](CNC(C)(C)C[NH3+])O1 308205749 572936660 /nfs/dbraw/zinc/93/66/60/572936660.db2.gz YQHXHPIFWSDYFR-DTWKUNHWSA-N 1 3 186.299 0.881 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CC[C@H]([NH3+])C1 86432881 572936675 /nfs/dbraw/zinc/93/66/75/572936675.db2.gz MILRAAGMHLHBEY-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C/C=C\C[NH3+])[C@H]1CCOC1 308206349 572936931 /nfs/dbraw/zinc/93/69/31/572936931.db2.gz TVWNIUDVBVMPQX-XOULXFPDSA-N 1 3 184.283 0.612 10 0 ACAEHO CCCN(CCO)[C@@H]1CC[C@H]([NH3+])C1 86431836 572937029 /nfs/dbraw/zinc/93/70/29/572937029.db2.gz YNMSEPOBXALWPP-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)C[C@@H](CN(C)C)[NH2+]CCN 308196315 572937289 /nfs/dbraw/zinc/93/72/89/572937289.db2.gz MWNOHEDXPIZKRA-JTQLQIEISA-N 1 3 187.331 0.511 10 0 ACAEHO COCCN(C)[C@H]1CC[C@H]([NH3+])C1 86431854 572937394 /nfs/dbraw/zinc/93/73/94/572937394.db2.gz KQSQODYSRROEQS-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO COCCN(C)[C@@H]1CC[C@H]([NH3+])C1 86431852 572937417 /nfs/dbraw/zinc/93/74/17/572937417.db2.gz KQSQODYSRROEQS-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO COCCN(C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432052 572937428 /nfs/dbraw/zinc/93/74/28/572937428.db2.gz YHGLPIWZRMLLMO-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO COC[C@H](C)N(C)[C@@H]1CC[C@H]([NH3+])C1 86432038 572937475 /nfs/dbraw/zinc/93/74/75/572937475.db2.gz IGTHZCWHYBWOSJ-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](N(CCO)C2CC2)C1 86432274 572937525 /nfs/dbraw/zinc/93/75/25/572937525.db2.gz PFAPTUQSSXEVAT-MWLCHTKSSA-N 1 3 198.310 0.713 10 0 ACAEHO COCCN(C)[C@H]1CCC[C@H]([NH3+])C1 86431850 572937578 /nfs/dbraw/zinc/93/75/78/572937578.db2.gz RVXOWMPCIMLXKP-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCC[C@H]([NH3+])C1 86432880 572938025 /nfs/dbraw/zinc/93/80/25/572938025.db2.gz DAZLELSTOYGDAG-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO COCCN(C1CC1)[C@H]1CC[C@H]([NH3+])C1 86432054 572937974 /nfs/dbraw/zinc/93/79/74/572937974.db2.gz YHGLPIWZRMLLMO-ONGXEEELSA-N 1 3 198.310 0.977 10 0 ACAEHO COCCCN(C)[C@@H]1CC[C@H]([NH3+])C1 86432766 572938439 /nfs/dbraw/zinc/93/84/39/572938439.db2.gz VTDGWKRLVTUQSF-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(CO)CN1CC[C@@H](C[NH3+])C1 238113325 572938114 /nfs/dbraw/zinc/93/81/14/572938114.db2.gz OIFJMPCGQLBPGA-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO CC(C)(CO)C[N@@H+]1CC[C@@H](CN)C1 238113325 572938117 /nfs/dbraw/zinc/93/81/17/572938117.db2.gz OIFJMPCGQLBPGA-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO CC(C)(CO)C[N@H+]1CC[C@@H](CN)C1 238113325 572938120 /nfs/dbraw/zinc/93/81/20/572938120.db2.gz OIFJMPCGQLBPGA-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO CCN(CCO)[C@H]1CC[C@H]([NH3+])C1 86431621 572938126 /nfs/dbraw/zinc/93/81/26/572938126.db2.gz NIRRIVGGSQANCN-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)(CO)CN1CC[C@H](C[NH3+])C1 238113395 572938211 /nfs/dbraw/zinc/93/82/11/572938211.db2.gz OIFJMPCGQLBPGA-SECBINFHSA-N 1 3 186.299 0.286 10 0 ACAEHO CC(C)(CO)C[N@@H+]1CC[C@H](CN)C1 238113395 572938215 /nfs/dbraw/zinc/93/82/15/572938215.db2.gz OIFJMPCGQLBPGA-SECBINFHSA-N 1 3 186.299 0.286 10 0 ACAEHO CC(C)(CO)C[N@H+]1CC[C@H](CN)C1 238113395 572938217 /nfs/dbraw/zinc/93/82/17/572938217.db2.gz OIFJMPCGQLBPGA-SECBINFHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@H]1CCO 308196567 572938254 /nfs/dbraw/zinc/93/82/54/572938254.db2.gz MZGHDLOTJMIHDO-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@H]1CCO 308196567 572938256 /nfs/dbraw/zinc/93/82/56/572938256.db2.gz MZGHDLOTJMIHDO-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CO[C@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C 308195208 572938358 /nfs/dbraw/zinc/93/83/58/572938358.db2.gz QMAUAVKJVXLSPS-YIZRAAEISA-N 1 3 186.299 0.737 10 0 ACAEHO C[C@@H](CO)NCC(C)(C)C[NH+](C)C 308196378 572938816 /nfs/dbraw/zinc/93/88/16/572938816.db2.gz RGIOVNNIAKZIRB-VIFPVBQESA-N 1 3 188.315 0.545 10 0 ACAEHO CC(C)C[C@H](CN(C)C)[NH2+]CCN 308196316 572938959 /nfs/dbraw/zinc/93/89/59/572938959.db2.gz MWNOHEDXPIZKRA-SNVBAGLBSA-N 1 3 187.331 0.511 10 0 ACAEHO CO[C@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C 308195207 572939226 /nfs/dbraw/zinc/93/92/26/572939226.db2.gz QMAUAVKJVXLSPS-CIUDSAMLSA-N 1 3 186.299 0.737 10 0 ACAEHO N[C@@H]1CC(=O)c2cc(C[NH3+])ccc21 713785804 572939483 /nfs/dbraw/zinc/93/94/83/572939483.db2.gz VKKXMDJPMGFYHA-SECBINFHSA-N 1 3 176.219 0.732 10 0 ACAEHO CC[C@H]([NH2+]CCCN)[C@@H]1CCOC1 308196659 572939693 /nfs/dbraw/zinc/93/96/93/572939693.db2.gz RMIVKDSMUZOAND-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@H]([NH2+]CCCN)[C@H]1CCOC1 308196656 572940306 /nfs/dbraw/zinc/94/03/06/572940306.db2.gz RMIVKDSMUZOAND-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO CN1CC[C@@H](N)[C@H](C[NH+]2CCCC2)C1 58082158 572940497 /nfs/dbraw/zinc/94/04/97/572940497.db2.gz SLZCAWDHJYHNRP-WDEREUQCSA-N 1 3 197.326 0.361 10 0 ACAEHO CCN(CC(N)=[NH2+])[C@H](C)CN(C)C 299995827 572940646 /nfs/dbraw/zinc/94/06/46/572940646.db2.gz MWAOZGWBBNBDAO-MRVPVSSYSA-N 1 3 186.303 0.194 10 0 ACAEHO N[C@H]1CC(=O)c2cc(C[NH3+])ccc21 713785813 572940689 /nfs/dbraw/zinc/94/06/89/572940689.db2.gz VKKXMDJPMGFYHA-VIFPVBQESA-N 1 3 176.219 0.732 10 0 ACAEHO COC[C@H](C[NH3+])N1C[C@@H]2CCC[C@H]2C1 299994546 572940795 /nfs/dbraw/zinc/94/07/95/572940795.db2.gz FGCRQMLVGWXYLK-DCAQKATOSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C1CNC1 686236640 572940849 /nfs/dbraw/zinc/94/08/49/572940849.db2.gz GPZAKTNDZNLJKJ-WCABBAIRSA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C1CNC1 686236642 572940863 /nfs/dbraw/zinc/94/08/63/572940863.db2.gz GPZAKTNDZNLJKJ-YWVKMMECSA-N 1 3 198.310 0.609 10 0 ACAEHO CC[NH2+]C[C@H](C)O[C@@H]1CCN(C)C1 308198391 572941008 /nfs/dbraw/zinc/94/10/08/572941008.db2.gz OGRGPRZEGDYHGO-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CN1CC[C@H](N)[C@H](C[NH+]2CCCC2)C1 58082153 572941264 /nfs/dbraw/zinc/94/12/64/572941264.db2.gz SLZCAWDHJYHNRP-QWRGUYRKSA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@@H]1COCC[C@H]1[NH2+][C@H](C)C1CNC1 686236637 572941572 /nfs/dbraw/zinc/94/15/72/572941572.db2.gz GPZAKTNDZNLJKJ-FXPVBKGRSA-N 1 3 198.310 0.609 10 0 ACAEHO CC[NH2+]C[C@@H](C)O[C@@H]1CCN(C)C1 308198389 572941712 /nfs/dbraw/zinc/94/17/12/572941712.db2.gz OGRGPRZEGDYHGO-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CC(C)([NH3+])CCCN1CCCNC1 238139837 572941901 /nfs/dbraw/zinc/94/19/01/572941901.db2.gz PBHPCQZWKQXIJZ-UHFFFAOYSA-N 1 3 185.315 0.757 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CC[C@](C)(OC)C1 308198434 572942006 /nfs/dbraw/zinc/94/20/06/572942006.db2.gz OIKJHLJUSXPXGN-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CC[C@](C)(OC)C1 308198434 572942008 /nfs/dbraw/zinc/94/20/08/572942008.db2.gz OIKJHLJUSXPXGN-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H](N)C[N@@H+]1CC[C@@](C)(OC)C1 308198429 572942590 /nfs/dbraw/zinc/94/25/90/572942590.db2.gz OIKJHLJUSXPXGN-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H](N)C[N@H+]1CC[C@@](C)(OC)C1 308198429 572942592 /nfs/dbraw/zinc/94/25/92/572942592.db2.gz OIKJHLJUSXPXGN-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CC[C@@](C)(OC)C1 308198418 572942741 /nfs/dbraw/zinc/94/27/41/572942741.db2.gz OIKJHLJUSXPXGN-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CC[C@@](C)(OC)C1 308198418 572942743 /nfs/dbraw/zinc/94/27/43/572942743.db2.gz OIKJHLJUSXPXGN-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN(CC)CCN1C(N)=[NH+]C[C@@H]1C 86474514 572943392 /nfs/dbraw/zinc/94/33/92/572943392.db2.gz JAUDDFWULINLFC-VIFPVBQESA-N 1 3 198.314 0.347 10 0 ACAEHO CCN(CC)CCN1C(N)=[NH+]C[C@H]1C 86474513 572942880 /nfs/dbraw/zinc/94/28/80/572942880.db2.gz JAUDDFWULINLFC-SECBINFHSA-N 1 3 198.314 0.347 10 0 ACAEHO CC[NH2+]C[C@H](C)O[C@H]1CCN(C)C1 308198390 572942984 /nfs/dbraw/zinc/94/29/84/572942984.db2.gz OGRGPRZEGDYHGO-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CCN(CC)CC[NH2+]C1(CN)CCC1 86475240 572943067 /nfs/dbraw/zinc/94/30/67/572943067.db2.gz JUDMXNISVSZZBZ-UHFFFAOYSA-N 1 3 199.342 0.799 10 0 ACAEHO CCN([C@H]1CC[NH2+]C1)[C@H](C)CN(C)C 299996209 572943573 /nfs/dbraw/zinc/94/35/73/572943573.db2.gz OLRCLLMBLOFGAF-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO COC(C)(C)C[C@@H](C[NH3+])NC1CC1 234583063 572944181 /nfs/dbraw/zinc/94/41/81/572944181.db2.gz NSPKLTMQQZJMIB-VIFPVBQESA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+](CCO)C1CCC1 308211836 572943990 /nfs/dbraw/zinc/94/39/90/572943990.db2.gz WTUJPPAYPYQBGJ-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+](CCO)C1CCC1 308211836 572943992 /nfs/dbraw/zinc/94/39/92/572943992.db2.gz WTUJPPAYPYQBGJ-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO Nc1nc2c(n1C1CC1)CC[C@@H]([NH3+])C2 76122439 572944056 /nfs/dbraw/zinc/94/40/56/572944056.db2.gz LJIHGVWIUKUDAJ-ZCFIWIBFSA-N 1 3 192.266 0.616 10 0 ACAEHO Nc1nc2c(n1C1CC1)CC[C@H]([NH3+])C2 76122437 572944267 /nfs/dbraw/zinc/94/42/67/572944267.db2.gz LJIHGVWIUKUDAJ-LURJTMIESA-N 1 3 192.266 0.616 10 0 ACAEHO CCN([C@@H](C)CN(C)C)[C@H]1CC[NH2+]C1 299996210 572944291 /nfs/dbraw/zinc/94/42/91/572944291.db2.gz OLRCLLMBLOFGAF-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H](N)[C@@H](C)[N@H+](CCO)C1CCC1 308211838 572944625 /nfs/dbraw/zinc/94/46/25/572944625.db2.gz WTUJPPAYPYQBGJ-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](N)[C@@H](C)[N@@H+](CCO)C1CCC1 308211838 572944627 /nfs/dbraw/zinc/94/46/27/572944627.db2.gz WTUJPPAYPYQBGJ-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO COCC[N@H+](C1CC1)C1(CN)CCC1 86475063 572944709 /nfs/dbraw/zinc/94/47/09/572944709.db2.gz KIWMDHBIAHYCPR-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO COCC[N@@H+](C1CC1)C1(CN)CCC1 86475063 572944711 /nfs/dbraw/zinc/94/47/11/572944711.db2.gz KIWMDHBIAHYCPR-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO COC[C@H]1CCN(C2(C[NH3+])CCC2)C1 86475220 572944786 /nfs/dbraw/zinc/94/47/86/572944786.db2.gz AAHVGLVVITYBHK-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CN(C)CC[NH2+]C1(CN)CCC1 86475238 572944815 /nfs/dbraw/zinc/94/48/15/572944815.db2.gz QONWEVDGTWRPAZ-UHFFFAOYSA-N 1 3 171.288 0.019 10 0 ACAEHO CN(C)CCNC1(C[NH3+])CCC1 86475238 572944819 /nfs/dbraw/zinc/94/48/19/572944819.db2.gz QONWEVDGTWRPAZ-UHFFFAOYSA-N 1 3 171.288 0.019 10 0 ACAEHO COC[C@@H]1CCN(C2(C[NH3+])CCC2)C1 86475219 572944968 /nfs/dbraw/zinc/94/49/68/572944968.db2.gz AAHVGLVVITYBHK-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H](CN(C)C)NCCC(C)(C)[NH3+] 308208577 572945724 /nfs/dbraw/zinc/94/57/24/572945724.db2.gz JQLBRXSKLSLZSM-SECBINFHSA-N 1 3 187.331 0.654 10 0 ACAEHO OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 86494289 572945283 /nfs/dbraw/zinc/94/52/83/572945283.db2.gz ZUUSMBZYYSGFLZ-AXFHLTTASA-N 1 3 198.310 0.489 10 0 ACAEHO OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 86494292 572945351 /nfs/dbraw/zinc/94/53/51/572945351.db2.gz ZUUSMBZYYSGFLZ-MXWKQRLJSA-N 1 3 198.310 0.489 10 0 ACAEHO CN1CCC[C@H]1C[NH2+]CC(C)(C)N 308211897 572945353 /nfs/dbraw/zinc/94/53/53/572945353.db2.gz WZILUNDLALAHJJ-VIFPVBQESA-N 1 3 185.315 0.408 10 0 ACAEHO CN1CCC[C@H]1CNCC(C)(C)[NH3+] 308211897 572945355 /nfs/dbraw/zinc/94/53/55/572945355.db2.gz WZILUNDLALAHJJ-VIFPVBQESA-N 1 3 185.315 0.408 10 0 ACAEHO [NH3+]CC1(CCN2CCOCC2)CCC1 88051621 572945398 /nfs/dbraw/zinc/94/53/98/572945398.db2.gz FXXNDBMIAAGHQU-UHFFFAOYSA-N 1 3 198.310 0.838 10 0 ACAEHO CC(C)(N)c1nc2c([nH]1)C[C@@H]([NH3+])CC2 76124942 572945804 /nfs/dbraw/zinc/94/58/04/572945804.db2.gz KLYCWZUDUIKEMA-LURJTMIESA-N 1 3 194.282 0.420 10 0 ACAEHO C[C@H](C[C@@H]1CCCC[NH2+]1)NCCO 86498804 572945866 /nfs/dbraw/zinc/94/58/66/572945866.db2.gz JVOHKKFFLZDDSQ-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@H](C[C@H]1CCCC[NH2+]1)NCCO 86498806 572945873 /nfs/dbraw/zinc/94/58/73/572945873.db2.gz JVOHKKFFLZDDSQ-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO COC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC1 308212940 572945970 /nfs/dbraw/zinc/94/59/70/572945970.db2.gz XNWVLAADROGKGV-GUBZILKMSA-N 1 3 186.299 0.609 10 0 ACAEHO COC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC1 308212939 572946861 /nfs/dbraw/zinc/94/68/61/572946861.db2.gz XNWVLAADROGKGV-AEJSXWLSSA-N 1 3 186.299 0.609 10 0 ACAEHO COC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC1 308212941 572946664 /nfs/dbraw/zinc/94/66/64/572946664.db2.gz XNWVLAADROGKGV-IVZWLZJFSA-N 1 3 186.299 0.609 10 0 ACAEHO NC(=[NH2+])c1cc([C@@H](N)CO)ccc1F 76136526 572946988 /nfs/dbraw/zinc/94/69/88/572946988.db2.gz GPOMHVBZCCXAJV-QMMMGPOBSA-N 1 3 197.213 0.102 10 0 ACAEHO C[C@@H]1C[C@H](Nc2nccn2C)CC[NH2+]1 235422237 572946991 /nfs/dbraw/zinc/94/69/91/572946991.db2.gz RMPDUUPZMZVTBX-RKDXNWHRSA-N 1 3 194.282 0.973 10 0 ACAEHO CCN(CC)CC[C@H]([NH3+])COC 86526884 572947131 /nfs/dbraw/zinc/94/71/31/572947131.db2.gz FXCXIOMKEYAOOF-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO C[C@@H](CN(C)C)NCCC(C)(C)[NH3+] 308208579 572947276 /nfs/dbraw/zinc/94/72/76/572947276.db2.gz JQLBRXSKLSLZSM-VIFPVBQESA-N 1 3 187.331 0.654 10 0 ACAEHO CN(C)Cc1cccc([C@H]([NH3+])CO)c1 76136004 572947318 /nfs/dbraw/zinc/94/73/18/572947318.db2.gz NBCCZFVCLSODCW-LLVKDONJSA-N 1 3 194.278 0.740 10 0 ACAEHO Cc1ccc(C(N)=[NH2+])cc1[C@H](N)CO 76136535 572947336 /nfs/dbraw/zinc/94/73/36/572947336.db2.gz GWLATSSWVMSNTM-SECBINFHSA-N 1 3 193.250 0.271 10 0 ACAEHO CCN(CC)CC[C@@H](COC)[NH2+]C 86526896 572947530 /nfs/dbraw/zinc/94/75/30/572947530.db2.gz ROQVNEJIUDWRCE-JTQLQIEISA-N 1 3 188.315 0.953 10 0 ACAEHO COC[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC1 308212942 572947601 /nfs/dbraw/zinc/94/76/01/572947601.db2.gz XNWVLAADROGKGV-LPEHRKFASA-N 1 3 186.299 0.609 10 0 ACAEHO NCCC[NH2+][C@H]1CCC[C@H](CO)C1 308214009 572948010 /nfs/dbraw/zinc/94/80/10/572948010.db2.gz YFNMDRIVHWNIBF-UWVGGRQHSA-N 1 3 186.299 0.476 10 0 ACAEHO NCCC[NH2+][C@@H]1CCC[C@@H](CO)C1 308214008 572948206 /nfs/dbraw/zinc/94/82/06/572948206.db2.gz YFNMDRIVHWNIBF-NXEZZACHSA-N 1 3 186.299 0.476 10 0 ACAEHO CO[C@](C)(CN[C@@H](C)C[NH3+])C1CC1 308215218 572948301 /nfs/dbraw/zinc/94/83/01/572948301.db2.gz ZGTJHGBSRMVTLV-WCBMZHEXSA-N 1 3 186.299 0.738 10 0 ACAEHO Cc1ccc(C(N)=[NH2+])cc1[C@@H](N)CO 76136536 572948336 /nfs/dbraw/zinc/94/83/36/572948336.db2.gz GWLATSSWVMSNTM-VIFPVBQESA-N 1 3 193.250 0.271 10 0 ACAEHO CN(C[C@H](O)C[NH+](C)C)C1CCC1 308215268 572948361 /nfs/dbraw/zinc/94/83/61/572948361.db2.gz ZIXRPXRHGWYDRH-SNVBAGLBSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@@H]([NH3+])CC(=O)O[C@H](C)CN(C)C 308214378 572948446 /nfs/dbraw/zinc/94/84/46/572948446.db2.gz YPEWOYYNHUFCAW-HTQZYQBOSA-N 1 3 188.271 0.217 10 0 ACAEHO NC(=[NH2+])c1cc([C@H](N)CO)ccc1F 76136525 572949037 /nfs/dbraw/zinc/94/90/37/572949037.db2.gz GPOMHVBZCCXAJV-MRVPVSSYSA-N 1 3 197.213 0.102 10 0 ACAEHO CCN(CC)CC[C@@H]([NH3+])COC 86526885 572948870 /nfs/dbraw/zinc/94/88/70/572948870.db2.gz FXCXIOMKEYAOOF-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO C[NH2+]CCCNCCn1ccnc1 308214650 572949344 /nfs/dbraw/zinc/94/93/44/572949344.db2.gz YSOJWFKQMHYLAH-UHFFFAOYSA-N 1 3 182.271 0.082 10 0 ACAEHO CNCCC[NH2+]CCn1ccnc1 308214650 572949345 /nfs/dbraw/zinc/94/93/45/572949345.db2.gz YSOJWFKQMHYLAH-UHFFFAOYSA-N 1 3 182.271 0.082 10 0 ACAEHO CN(C[C@@H](O)C[NH+](C)C)C1CCC1 308215267 572949590 /nfs/dbraw/zinc/94/95/90/572949590.db2.gz ZIXRPXRHGWYDRH-JTQLQIEISA-N 1 3 186.299 0.393 10 0 ACAEHO CN(C)C1(C[NH2+]CCN)CCCC1 308214657 572949594 /nfs/dbraw/zinc/94/95/94/572949594.db2.gz YSUPLOFYVHPCNS-UHFFFAOYSA-N 1 3 185.315 0.409 10 0 ACAEHO C[NH2+]CCC(=O)O[C@@H](C)CN(C)C 308213998 572949918 /nfs/dbraw/zinc/94/99/18/572949918.db2.gz YEVZFAZDOWPFFH-QMMMGPOBSA-N 1 3 188.271 0.089 10 0 ACAEHO CN1CCC[C@@]2(CC[C@@H](CC[NH3+])O2)C1 686236813 572952443 /nfs/dbraw/zinc/95/24/43/572952443.db2.gz HESGWDQBCLHWBK-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO CN1CCC[C@]2(CC[C@H](CC[NH3+])O2)C1 686236780 572952967 /nfs/dbraw/zinc/95/29/67/572952967.db2.gz HESGWDQBCLHWBK-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CN1CCC[C@]2(CC[C@@H](CC[NH3+])O2)C1 686236794 572953064 /nfs/dbraw/zinc/95/30/64/572953064.db2.gz HESGWDQBCLHWBK-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CN1CCC[C@@]2(CC[C@H](CC[NH3+])O2)C1 686236774 572953095 /nfs/dbraw/zinc/95/30/95/572953095.db2.gz HESGWDQBCLHWBK-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@](C)(C[NH3+])CN(C)C 51214402 572955295 /nfs/dbraw/zinc/95/52/95/572955295.db2.gz BRACMCXUUMEMOZ-QMMMGPOBSA-N 1 3 144.262 0.923 10 0 ACAEHO CC[C@@](C)(CN)C[NH+](C)C 51214402 572955297 /nfs/dbraw/zinc/95/52/97/572955297.db2.gz BRACMCXUUMEMOZ-QMMMGPOBSA-N 1 3 144.262 0.923 10 0 ACAEHO CC[C@](C)(C[NH3+])CN(C)C 51214403 572955654 /nfs/dbraw/zinc/95/56/54/572955654.db2.gz BRACMCXUUMEMOZ-MRVPVSSYSA-N 1 3 144.262 0.923 10 0 ACAEHO CC[C@](C)(CN)C[NH+](C)C 51214403 572955656 /nfs/dbraw/zinc/95/56/56/572955656.db2.gz BRACMCXUUMEMOZ-MRVPVSSYSA-N 1 3 144.262 0.923 10 0 ACAEHO C/C(=C/[C@H](N)CF)[C@@H](C)[NH3+] 199613746 572956505 /nfs/dbraw/zinc/95/65/05/572956505.db2.gz MEVPIRRZDMGTMM-MIAOOFFESA-N 1 3 146.209 0.577 10 0 ACAEHO CCCNCC[NH2+]C(C)(C)CO 58847283 572961738 /nfs/dbraw/zinc/96/17/38/572961738.db2.gz UCEXLEMKTUYNML-UHFFFAOYSA-N 1 3 174.288 0.347 10 0 ACAEHO CN(C)CCOCC(C)(C)C[NH3+] 86596891 572962332 /nfs/dbraw/zinc/96/23/32/572962332.db2.gz NIMMTCPTPLSJLX-UHFFFAOYSA-N 1 3 174.288 0.550 10 0 ACAEHO [NH3+]CCCNCCN1CCCC1 88077674 572962516 /nfs/dbraw/zinc/96/25/16/572962516.db2.gz JMNDWGCNEJMXRZ-UHFFFAOYSA-N 1 3 171.288 0.021 10 0 ACAEHO CC[C@](C)(CO)[NH2+]CCCN 88077668 572962626 /nfs/dbraw/zinc/96/26/26/572962626.db2.gz GZCROEICLSOPMX-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO COC[C@@H](C)C[NH2+]CCCN 88077665 572962773 /nfs/dbraw/zinc/96/27/73/572962773.db2.gz VBZFEMLSTJCFHG-QMMMGPOBSA-N 1 3 160.261 0.207 10 0 ACAEHO COC[C@H](C)C[NH2+]CCCN 88077666 572962864 /nfs/dbraw/zinc/96/28/64/572962864.db2.gz VBZFEMLSTJCFHG-MRVPVSSYSA-N 1 3 160.261 0.207 10 0 ACAEHO CC[C@@](C)(CO)[NH2+]CCCN 88077667 572963348 /nfs/dbraw/zinc/96/33/48/572963348.db2.gz GZCROEICLSOPMX-QMMMGPOBSA-N 1 3 160.261 0.086 10 0 ACAEHO C[NH2+]CC(C)(C)COCCN(C)C 86596895 572963464 /nfs/dbraw/zinc/96/34/64/572963464.db2.gz CUASSQADXRSQGT-UHFFFAOYSA-N 1 3 188.315 0.810 10 0 ACAEHO CO[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 234944315 572963895 /nfs/dbraw/zinc/96/38/95/572963895.db2.gz TYFOZTPGBHYLFN-RVXWLBMTSA-N 1 3 184.283 0.633 10 0 ACAEHO CO[C@@H]1CC[C@H](NC2CC([NH3+])C2)C1 234944315 572963898 /nfs/dbraw/zinc/96/38/98/572963898.db2.gz TYFOZTPGBHYLFN-RVXWLBMTSA-N 1 3 184.283 0.633 10 0 ACAEHO C[NH2+][C@H]1CC[C@H](N(C)CCN(C)C)C1 86619524 572965403 /nfs/dbraw/zinc/96/54/03/572965403.db2.gz BKVDTRNGPZAFLE-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO COC(=O)C(C)(C)CNCCC[NH3+] 86594243 572965501 /nfs/dbraw/zinc/96/55/01/572965501.db2.gz OVWYPBZEBXBPNS-UHFFFAOYSA-N 1 3 188.271 0.124 10 0 ACAEHO COC(=O)C(C)(C)C[NH2+]CCCN 86594243 572965504 /nfs/dbraw/zinc/96/55/04/572965504.db2.gz OVWYPBZEBXBPNS-UHFFFAOYSA-N 1 3 188.271 0.124 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N(C)CCN(C)C)C1 86619525 572965811 /nfs/dbraw/zinc/96/58/11/572965811.db2.gz BKVDTRNGPZAFLE-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@H]1CC[C@@H](N(C)CCN(C)C)C1 86619526 572966145 /nfs/dbraw/zinc/96/61/45/572966145.db2.gz BKVDTRNGPZAFLE-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@]1(CO)CC[C@@H]([N@H+](C)C2CC2)C1 86632833 572968970 /nfs/dbraw/zinc/96/89/70/572968970.db2.gz NKMQDCVVTSXSJS-GHMZBOCLSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+](CC1CC1)[C@@H]1CC[C@](N)(CO)C1 86633204 572968649 /nfs/dbraw/zinc/96/86/49/572968649.db2.gz GGAVHCLRVKPLAV-GHMZBOCLSA-N 1 3 198.310 0.571 10 0 ACAEHO C[N@@H+](CC1CC1)[C@@H]1CC[C@](N)(CO)C1 86633204 572968651 /nfs/dbraw/zinc/96/86/51/572968651.db2.gz GGAVHCLRVKPLAV-GHMZBOCLSA-N 1 3 198.310 0.571 10 0 ACAEHO CN(CC1CC1)[C@@H]1CC[C@]([NH3+])(CO)C1 86633204 572968655 /nfs/dbraw/zinc/96/86/55/572968655.db2.gz GGAVHCLRVKPLAV-GHMZBOCLSA-N 1 3 198.310 0.571 10 0 ACAEHO CC[N@H+](C1CC1)[C@@H]1CC[C@](N)(CO)C1 86632964 572968782 /nfs/dbraw/zinc/96/87/82/572968782.db2.gz CUPQIANWNZCRMI-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO CC[N@@H+](C1CC1)[C@@H]1CC[C@](N)(CO)C1 86632964 572968784 /nfs/dbraw/zinc/96/87/84/572968784.db2.gz CUPQIANWNZCRMI-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO CCN(C1CC1)[C@@H]1CC[C@]([NH3+])(CO)C1 86632964 572968787 /nfs/dbraw/zinc/96/87/87/572968787.db2.gz CUPQIANWNZCRMI-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO CN[C@@]1(CO)CC[C@@H]([N@H+](C)C2CC2)C1 86632836 572968801 /nfs/dbraw/zinc/96/88/01/572968801.db2.gz NKMQDCVVTSXSJS-MNOVXSKESA-N 1 3 198.310 0.584 10 0 ACAEHO CN[C@@]1(CO)CC[C@@H]([N@@H+](C)C2CC2)C1 86632836 572968804 /nfs/dbraw/zinc/96/88/04/572968804.db2.gz NKMQDCVVTSXSJS-MNOVXSKESA-N 1 3 198.310 0.584 10 0 ACAEHO CN[C@]1(CO)CC[C@@H]([N@@H+](C)C2CC2)C1 86632833 572968971 /nfs/dbraw/zinc/96/89/71/572968971.db2.gz NKMQDCVVTSXSJS-GHMZBOCLSA-N 1 3 198.310 0.584 10 0 ACAEHO CCN[C@@]1(CO)CC[C@H]([NH+](C)C)C1 86632669 572968860 /nfs/dbraw/zinc/96/88/60/572968860.db2.gz WYDNKHSMBVOHEM-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@H+](C)[C@H]1CC[C@@](CO)(NC)C1 86632784 572968884 /nfs/dbraw/zinc/96/88/84/572968884.db2.gz LTKGJBPTOJHMBY-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+](C)[C@H]1CC[C@@](CO)(NC)C1 86632784 572968886 /nfs/dbraw/zinc/96/88/86/572968886.db2.gz LTKGJBPTOJHMBY-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[NH+](CC)[C@@H]1CC[C@@](N)(CO)C1 86632375 572968894 /nfs/dbraw/zinc/96/88/94/572968894.db2.gz HYXAXZRANGKZIB-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CC)[C@@H]1CC[C@@]([NH3+])(CO)C1 86632375 572968895 /nfs/dbraw/zinc/96/88/95/572968895.db2.gz HYXAXZRANGKZIB-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN[C@]1(CO)CC[C@H]([NH+](C)C)C1 86632666 572968911 /nfs/dbraw/zinc/96/89/11/572968911.db2.gz WYDNKHSMBVOHEM-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO CCN[C@]1(CO)CC[C@@H]([NH+](C)C)C1 86632672 572968917 /nfs/dbraw/zinc/96/89/17/572968917.db2.gz WYDNKHSMBVOHEM-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO CCN[C@@]1(CO)CC[C@@H]([NH+](C)C)C1 86632673 572968982 /nfs/dbraw/zinc/96/89/82/572968982.db2.gz WYDNKHSMBVOHEM-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@H+](CC1CC1)[C@H]1CC[C@](N)(CO)C1 86633208 572968993 /nfs/dbraw/zinc/96/89/93/572968993.db2.gz GGAVHCLRVKPLAV-WDEREUQCSA-N 1 3 198.310 0.571 10 0 ACAEHO C[N@@H+](CC1CC1)[C@H]1CC[C@](N)(CO)C1 86633208 572968994 /nfs/dbraw/zinc/96/89/94/572968994.db2.gz GGAVHCLRVKPLAV-WDEREUQCSA-N 1 3 198.310 0.571 10 0 ACAEHO CN(CC1CC1)[C@H]1CC[C@]([NH3+])(CO)C1 86633208 572968995 /nfs/dbraw/zinc/96/89/95/572968995.db2.gz GGAVHCLRVKPLAV-WDEREUQCSA-N 1 3 198.310 0.571 10 0 ACAEHO CN[C@@]1(CO)CC[C@H]([N@H+](C)C2CC2)C1 86632830 572969015 /nfs/dbraw/zinc/96/90/15/572969015.db2.gz NKMQDCVVTSXSJS-QWRGUYRKSA-N 1 3 198.310 0.584 10 0 ACAEHO CN[C@@]1(CO)CC[C@H]([N@@H+](C)C2CC2)C1 86632830 572969016 /nfs/dbraw/zinc/96/90/16/572969016.db2.gz NKMQDCVVTSXSJS-QWRGUYRKSA-N 1 3 198.310 0.584 10 0 ACAEHO CCCN(C)[C@H]1CC[C@]([NH3+])(CO)C1 86632768 572969055 /nfs/dbraw/zinc/96/90/55/572969055.db2.gz GBFUQQFYSSRYRU-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[NH+](CC)[C@H]1CC[C@@](N)(CO)C1 86632378 572969058 /nfs/dbraw/zinc/96/90/58/572969058.db2.gz HYXAXZRANGKZIB-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CC)[C@H]1CC[C@@]([NH3+])(CO)C1 86632378 572969060 /nfs/dbraw/zinc/96/90/60/572969060.db2.gz HYXAXZRANGKZIB-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[NH+](CC)[C@H]1CC[C@](N)(CO)C1 86632372 572969070 /nfs/dbraw/zinc/96/90/70/572969070.db2.gz HYXAXZRANGKZIB-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CC)[C@H]1CC[C@]([NH3+])(CO)C1 86632372 572969071 /nfs/dbraw/zinc/96/90/71/572969071.db2.gz HYXAXZRANGKZIB-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CN1CC[C@@H](N(C)CC(C)(C)C[NH3+])C1 86637349 572969080 /nfs/dbraw/zinc/96/90/80/572969080.db2.gz YKGWTDFXQJNPBJ-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[NH+](CC)[C@@H]1CC[C@](N)(CO)C1 86632371 572969127 /nfs/dbraw/zinc/96/91/27/572969127.db2.gz HYXAXZRANGKZIB-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(CC)[C@@H]1CC[C@]([NH3+])(CO)C1 86632371 572969130 /nfs/dbraw/zinc/96/91/30/572969130.db2.gz HYXAXZRANGKZIB-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@H+](C1CC1)[C@H]1CC[C@](N)(CO)C1 86632967 572969157 /nfs/dbraw/zinc/96/91/57/572969157.db2.gz CUPQIANWNZCRMI-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO CC[N@@H+](C1CC1)[C@H]1CC[C@](N)(CO)C1 86632967 572969160 /nfs/dbraw/zinc/96/91/60/572969160.db2.gz CUPQIANWNZCRMI-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO CCN(C1CC1)[C@H]1CC[C@]([NH3+])(CO)C1 86632967 572969162 /nfs/dbraw/zinc/96/91/62/572969162.db2.gz CUPQIANWNZCRMI-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO NCCC[NH2+]CCCc1cccnc1 59323729 572969163 /nfs/dbraw/zinc/96/91/63/572969163.db2.gz HLHJHRNUWGLLPG-UHFFFAOYSA-N 1 3 193.294 0.953 10 0 ACAEHO [NH3+]CCCNCCCc1cccnc1 59323729 572969165 /nfs/dbraw/zinc/96/91/65/572969165.db2.gz HLHJHRNUWGLLPG-UHFFFAOYSA-N 1 3 193.294 0.953 10 0 ACAEHO CN[C@]1(CO)CC[C@H]([N@H+](C)C2CC2)C1 86632827 572969242 /nfs/dbraw/zinc/96/92/42/572969242.db2.gz NKMQDCVVTSXSJS-WDEREUQCSA-N 1 3 198.310 0.584 10 0 ACAEHO CN[C@]1(CO)CC[C@H]([N@@H+](C)C2CC2)C1 86632827 572969244 /nfs/dbraw/zinc/96/92/44/572969244.db2.gz NKMQDCVVTSXSJS-WDEREUQCSA-N 1 3 198.310 0.584 10 0 ACAEHO CCC[N@H+](C)[C@@H]1CC[C@](N)(CO)C1 86632765 572969270 /nfs/dbraw/zinc/96/92/70/572969270.db2.gz GBFUQQFYSSRYRU-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCC[N@@H+](C)[C@@H]1CC[C@](N)(CO)C1 86632765 572969272 /nfs/dbraw/zinc/96/92/72/572969272.db2.gz GBFUQQFYSSRYRU-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCN(C)[C@@H]1CC[C@]([NH3+])(CO)C1 86632765 572969273 /nfs/dbraw/zinc/96/92/73/572969273.db2.gz GBFUQQFYSSRYRU-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CN1CC[C@H](N(C)CC(C)(C)C[NH3+])C1 86637351 572969410 /nfs/dbraw/zinc/96/94/10/572969410.db2.gz YKGWTDFXQJNPBJ-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO c1cc(CNCC2CC[NH2+]CC2)n[nH]1 86700822 572970687 /nfs/dbraw/zinc/97/06/87/572970687.db2.gz VXTSWSAPTFZNPJ-UHFFFAOYSA-N 1 3 194.282 0.499 10 0 ACAEHO CC1CN(CCOC2CC[NH2+]CC2)C1 86679008 572971415 /nfs/dbraw/zinc/97/14/15/572971415.db2.gz FPKCQRKMTKCVLH-UHFFFAOYSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CCN1CCOC1CC[NH2+]CC1 86679012 572971948 /nfs/dbraw/zinc/97/19/48/572971948.db2.gz ZTNFALOGSSFPAB-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO c1c[nH]c(CNCC2CC[NH2+]CC2)n1 86701292 572972059 /nfs/dbraw/zinc/97/20/59/572972059.db2.gz LBRPIAOYXJVQJY-UHFFFAOYSA-N 1 3 194.282 0.499 10 0 ACAEHO C[C@@H]1CCN1CCOC1CC[NH2+]CC1 86679010 572972109 /nfs/dbraw/zinc/97/21/09/572972109.db2.gz ZTNFALOGSSFPAB-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO COC1(C[N@@H+]2CCC[C@H](N)C2)CCC1 234654360 572974299 /nfs/dbraw/zinc/97/42/99/572974299.db2.gz MNUMJILIQJFDJS-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO COC1(C[N@H+]2CCC[C@H](N)C2)CCC1 234654360 572974300 /nfs/dbraw/zinc/97/43/00/572974300.db2.gz MNUMJILIQJFDJS-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CCC(CC)(CO)CNCC[NH3+] 88175963 572972330 /nfs/dbraw/zinc/97/23/30/572972330.db2.gz MQJBBPSHYHWIHY-UHFFFAOYSA-N 1 3 174.288 0.333 10 0 ACAEHO C[C@H](CN1CCCC1)N[C@H]1CC[NH2+]C1 86729291 572974483 /nfs/dbraw/zinc/97/44/83/572974483.db2.gz KZOMXDDEETVYNZ-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CN(CCN[C@H]1CC[NH2+]C1)C1CC1 86729961 572974313 /nfs/dbraw/zinc/97/43/13/572974313.db2.gz VFUXLEVNYFOHBU-VIFPVBQESA-N 1 3 183.299 0.032 10 0 ACAEHO CC[C@](C)(CO)C[NH2+]CCCN 88175965 572972795 /nfs/dbraw/zinc/97/27/95/572972795.db2.gz FQKRHMGNNAKITL-VIFPVBQESA-N 1 3 174.288 0.333 10 0 ACAEHO CC[C@](C)(CO)CNCCC[NH3+] 88175965 572972796 /nfs/dbraw/zinc/97/27/96/572972796.db2.gz FQKRHMGNNAKITL-VIFPVBQESA-N 1 3 174.288 0.333 10 0 ACAEHO CC[C@@](C)(CO)C[NH2+]CCCN 88175966 572973004 /nfs/dbraw/zinc/97/30/04/572973004.db2.gz FQKRHMGNNAKITL-SECBINFHSA-N 1 3 174.288 0.333 10 0 ACAEHO CC[C@@](C)(CO)CNCCC[NH3+] 88175966 572973005 /nfs/dbraw/zinc/97/30/05/572973005.db2.gz FQKRHMGNNAKITL-SECBINFHSA-N 1 3 174.288 0.333 10 0 ACAEHO CCC(CC)(CO)C[NH2+]CCCN 88175967 572973327 /nfs/dbraw/zinc/97/33/27/572973327.db2.gz NATBJZJVQNAYRM-UHFFFAOYSA-N 1 3 188.315 0.724 10 0 ACAEHO CCC(CC)(CO)CNCCC[NH3+] 88175967 572973329 /nfs/dbraw/zinc/97/33/29/572973329.db2.gz NATBJZJVQNAYRM-UHFFFAOYSA-N 1 3 188.315 0.724 10 0 ACAEHO C[C@H](CN1CCCC1)N[C@@H]1CC[NH2+]C1 86729288 572974412 /nfs/dbraw/zinc/97/44/12/572974412.db2.gz KZOMXDDEETVYNZ-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CN(C)C(C)(C)CN[C@@H]1CC[NH2+]C1 86725208 572974649 /nfs/dbraw/zinc/97/46/49/572974649.db2.gz FDIYARYFWAVHSS-SECBINFHSA-N 1 3 185.315 0.278 10 0 ACAEHO COCCCC[NH2+][C@H]1CCNC1 86729507 572974585 /nfs/dbraw/zinc/97/45/85/572974585.db2.gz OATCYUFEZLEABK-VIFPVBQESA-N 1 3 172.272 0.365 10 0 ACAEHO C[C@@H](CN1CCCC1)N[C@H]1CC[NH2+]C1 86729290 572974993 /nfs/dbraw/zinc/97/49/93/572974993.db2.gz KZOMXDDEETVYNZ-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CN(CCN[C@@H]1CC[NH2+]C1)C1CC1 86729959 572975114 /nfs/dbraw/zinc/97/51/14/572975114.db2.gz VFUXLEVNYFOHBU-SECBINFHSA-N 1 3 183.299 0.032 10 0 ACAEHO CC(C)[C@@H](CN(C)C)N[C@@H]1CC[NH2+]C1 86729319 572975198 /nfs/dbraw/zinc/97/51/98/572975198.db2.gz JTSLLSZEPJSHJC-GHMZBOCLSA-N 1 3 199.342 0.524 10 0 ACAEHO CC(C)[C@H](CN(C)C)N[C@H]1CC[NH2+]C1 86729325 572975237 /nfs/dbraw/zinc/97/52/37/572975237.db2.gz JTSLLSZEPJSHJC-QWRGUYRKSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@@H](CN1CCCC1)N[C@@H]1CC[NH2+]C1 86729286 572975241 /nfs/dbraw/zinc/97/52/41/572975241.db2.gz KZOMXDDEETVYNZ-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)[C@H](CN(C)C)N[C@@H]1CC[NH2+]C1 86729320 572975271 /nfs/dbraw/zinc/97/52/71/572975271.db2.gz JTSLLSZEPJSHJC-MNOVXSKESA-N 1 3 199.342 0.524 10 0 ACAEHO C1CCN(CCN[C@H]2CC[NH2+]C2)C1 86725251 572975277 /nfs/dbraw/zinc/97/52/77/572975277.db2.gz YFFIVFYQWNFGDY-JTQLQIEISA-N 1 3 183.299 0.034 10 0 ACAEHO COC1(C[N@@H+]2CCC[C@@H](N)C2)CCC1 234654161 572975317 /nfs/dbraw/zinc/97/53/17/572975317.db2.gz MNUMJILIQJFDJS-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO COC1(C[N@H+]2CCC[C@@H](N)C2)CCC1 234654161 572975318 /nfs/dbraw/zinc/97/53/18/572975318.db2.gz MNUMJILIQJFDJS-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CN(C)C(C)(C)CN[C@H]1CC[NH2+]C1 86725212 572975362 /nfs/dbraw/zinc/97/53/62/572975362.db2.gz FDIYARYFWAVHSS-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO CN1CC[C@H](CNC(=[NH2+])NC2CC2)C1 51691777 572975720 /nfs/dbraw/zinc/97/57/20/572975720.db2.gz RBYHLYAAJBBGJV-MRVPVSSYSA-N 1 3 196.298 0.214 10 0 ACAEHO CCC(=O)C(C)(CNC)C[NH2+]C 238190559 572977771 /nfs/dbraw/zinc/97/77/71/572977771.db2.gz RFLUJNOESKDQCP-UHFFFAOYSA-N 1 3 172.272 0.411 10 0 ACAEHO CN(C)CCOC[C@H]1C[C@@H]([NH3+])C1 713811342 572978287 /nfs/dbraw/zinc/97/82/87/572978287.db2.gz CXLIGXPEYDQEGR-DTORHVGOSA-N 1 3 172.272 0.302 10 0 ACAEHO CO[C@@H]1CCCN([C@H]2CC[C@@H]2C[NH3+])C1 299909872 572979958 /nfs/dbraw/zinc/97/99/58/572979958.db2.gz LBWNNPVHQMSOPB-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N)C[C@@H]1O 299910270 572979976 /nfs/dbraw/zinc/97/99/76/572979976.db2.gz LPJGHZCIZCSUJD-DBIOUOCHSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N)C[C@@H]1O 299910270 572979978 /nfs/dbraw/zinc/97/99/78/572979978.db2.gz LPJGHZCIZCSUJD-DBIOUOCHSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CC[C@H]([NH3+])C2)C[C@H]1O 299906822 572980112 /nfs/dbraw/zinc/98/01/12/572980112.db2.gz HRSIQUIDPXTHLP-LMLFDSFASA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC[C@@H](C)[C@H](O)C1 299906816 572980253 /nfs/dbraw/zinc/98/02/53/572980253.db2.gz HRQCVMURTUOHOH-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CC[C@@H](C)[C@H](O)C1 299906816 572980254 /nfs/dbraw/zinc/98/02/54/572980254.db2.gz HRQCVMURTUOHOH-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CC[C@@H](C)[C@H](O)C1 299906816 572980256 /nfs/dbraw/zinc/98/02/56/572980256.db2.gz HRQCVMURTUOHOH-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO CO[C@@H]1CCCN([C@@H]2CC[C@H]2C[NH3+])C1 299909871 572980435 /nfs/dbraw/zinc/98/04/35/572980435.db2.gz LBWNNPVHQMSOPB-HBNTYKKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCN(C(C)(C)C[NH3+])[C@H]1CO 299905977 572980456 /nfs/dbraw/zinc/98/04/56/572980456.db2.gz DRJSTHIFLBVRGR-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@](C)([NH3+])CN(C)CCN(C)C 86810419 572982612 /nfs/dbraw/zinc/98/26/12/572982612.db2.gz MVABEDMQOKEMSO-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO C[C@H]1CCN(C(C)(C)C[NH3+])[C@H]1CO 299905978 572980618 /nfs/dbraw/zinc/98/06/18/572980618.db2.gz DRJSTHIFLBVRGR-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO CO[C@@H]1CCCN([C@H]2CC[C@H]2C[NH3+])C1 299909870 572980691 /nfs/dbraw/zinc/98/06/91/572980691.db2.gz LBWNNPVHQMSOPB-AXFHLTTASA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCN([C@H](C)CC[NH3+])C[C@H]1O 299906818 572980722 /nfs/dbraw/zinc/98/07/22/572980722.db2.gz HRQCVMURTUOHOH-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@H](C)CCN)C[C@H]1O 299906818 572980723 /nfs/dbraw/zinc/98/07/23/572980723.db2.gz HRQCVMURTUOHOH-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@H](C)CCN)C[C@H]1O 299906818 572980724 /nfs/dbraw/zinc/98/07/24/572980724.db2.gz HRQCVMURTUOHOH-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N)C[C@H]1O 299910273 572980832 /nfs/dbraw/zinc/98/08/32/572980832.db2.gz LPJGHZCIZCSUJD-LMLFDSFASA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N)C[C@H]1O 299910273 572980834 /nfs/dbraw/zinc/98/08/34/572980834.db2.gz LPJGHZCIZCSUJD-LMLFDSFASA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CC[C@@H]([NH3+])C2)C[C@H]1O 299906820 572980857 /nfs/dbraw/zinc/98/08/57/572980857.db2.gz HRSIQUIDPXTHLP-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO C[NH+](C)CCOc1ccc(CN)nc1 86789762 572980962 /nfs/dbraw/zinc/98/09/62/572980962.db2.gz AACJHJLAJUWQTC-UHFFFAOYSA-N 1 3 195.266 0.481 10 0 ACAEHO CO[C@@H]1CN(C2CC([NH3+])C2)CC[C@H]1C 299901784 572982684 /nfs/dbraw/zinc/98/26/84/572982684.db2.gz BTAASFJWLUFWOL-AGVGLQIMSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N)C[C@H]1O 299910271 572981198 /nfs/dbraw/zinc/98/11/98/572981198.db2.gz LPJGHZCIZCSUJD-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N)C[C@H]1O 299910271 572981201 /nfs/dbraw/zinc/98/12/01/572981201.db2.gz LPJGHZCIZCSUJD-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1O 299906823 572981262 /nfs/dbraw/zinc/98/12/62/572981262.db2.gz HRSIQUIDPXTHLP-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO [NH3+]CCCC[NH2+]Cc1ccc([O-])cn1 86791386 572981421 /nfs/dbraw/zinc/98/14/21/572981421.db2.gz BTSQQMKTFPUMQQ-UHFFFAOYSA-N 1 3 195.266 0.616 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CCC[C@H]2[NH3+])[C@@H]1CO 299915165 572982373 /nfs/dbraw/zinc/98/23/73/572982373.db2.gz TVQKAYBWNPADJW-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO CC[C@](C)(N)C[NH2+]CCOC 86810189 572982019 /nfs/dbraw/zinc/98/20/19/572982019.db2.gz CJGBVTFHEZOJJF-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CCC[C@H]2[NH3+])[C@H]1CO 299915163 572982092 /nfs/dbraw/zinc/98/20/92/572982092.db2.gz TVQKAYBWNPADJW-DBIOUOCHSA-N 1 3 198.310 0.569 10 0 ACAEHO CC[C@@](C)(N)C[NH2+]CCOC 86810192 572982656 /nfs/dbraw/zinc/98/26/56/572982656.db2.gz CJGBVTFHEZOJJF-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CC[C@@](C)([NH3+])CN(C)CCN(C)C 86810422 572983029 /nfs/dbraw/zinc/98/30/29/572983029.db2.gz MVABEDMQOKEMSO-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO CO[C@@H]1CCC[N@@H+]([C@@H](C)[C@H](C)N)C1 299902106 572983940 /nfs/dbraw/zinc/98/39/40/572983940.db2.gz CCIONDQETASGKF-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@@H]1CCC[N@H+]([C@@H](C)[C@H](C)N)C1 299902106 572983941 /nfs/dbraw/zinc/98/39/41/572983941.db2.gz CCIONDQETASGKF-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH3+])[C@H]1CO 299915166 572983328 /nfs/dbraw/zinc/98/33/28/572983328.db2.gz TVQKAYBWNPADJW-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO CO[C@H]1CN(C2CC([NH3+])C2)CC[C@H]1C 299901785 572983531 /nfs/dbraw/zinc/98/35/31/572983531.db2.gz BTAASFJWLUFWOL-SFXRXQKFSA-N 1 3 198.310 0.833 10 0 ACAEHO CO[C@@H]1CCC[N@@H+]([C@H](C)[C@H](C)N)C1 299902105 572983708 /nfs/dbraw/zinc/98/37/08/572983708.db2.gz CCIONDQETASGKF-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@@H]1CCC[N@H+]([C@H](C)[C@H](C)N)C1 299902105 572983710 /nfs/dbraw/zinc/98/37/10/572983710.db2.gz CCIONDQETASGKF-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@H]2CCCNC2)[C@@H]1CO 299916684 572983774 /nfs/dbraw/zinc/98/37/74/572983774.db2.gz WPRHSJDSLRLWFO-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@H]2CCCNC2)[C@@H]1CO 299916684 572983776 /nfs/dbraw/zinc/98/37/76/572983776.db2.gz WPRHSJDSLRLWFO-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2)[C@H]1CO 299916683 572983920 /nfs/dbraw/zinc/98/39/20/572983920.db2.gz WPRHSJDSLRLWFO-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCCNC2)[C@H]1CO 299916683 572983921 /nfs/dbraw/zinc/98/39/21/572983921.db2.gz WPRHSJDSLRLWFO-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@@H](C)[C@H](O)C1 299918868 572986502 /nfs/dbraw/zinc/98/65/02/572986502.db2.gz VSHBEUHUWQEJBA-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO CO[C@@H]1CCC[N@@H+]([C@H](C)[C@@H](C)N)C1 299902107 572984844 /nfs/dbraw/zinc/98/48/44/572984844.db2.gz CCIONDQETASGKF-OPRDCNLKSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@@H]1CCC[N@H+]([C@H](C)[C@@H](C)N)C1 299902107 572984846 /nfs/dbraw/zinc/98/48/46/572984846.db2.gz CCIONDQETASGKF-OPRDCNLKSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@H]2CCCNC2)[C@H]1CO 299916685 572984890 /nfs/dbraw/zinc/98/48/90/572984890.db2.gz WPRHSJDSLRLWFO-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@H]2CCCNC2)[C@H]1CO 299916685 572984891 /nfs/dbraw/zinc/98/48/91/572984891.db2.gz WPRHSJDSLRLWFO-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 236311127 572985093 /nfs/dbraw/zinc/98/50/93/572985093.db2.gz JBCFZJKXRQDTKG-GMTAPVOTSA-N 1 3 198.310 0.882 10 0 ACAEHO CO[C@@H]1CCCN([C@@H]2CC[C@H]([NH3+])C2)C1 299920120 572985279 /nfs/dbraw/zinc/98/52/79/572985279.db2.gz XOYWGFXXCKBCQJ-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1CCN(C[C@H](C)C[NH3+])C[C@@H]1O 299918869 572985391 /nfs/dbraw/zinc/98/53/91/572985391.db2.gz VSHBEUHUWQEJBA-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@H](C)CN)C[C@@H]1O 299918869 572985392 /nfs/dbraw/zinc/98/53/92/572985392.db2.gz VSHBEUHUWQEJBA-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@H](C)CN)C[C@@H]1O 299918869 572985393 /nfs/dbraw/zinc/98/53/93/572985393.db2.gz VSHBEUHUWQEJBA-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](C[NH3+])N1CC[C@@H](C)[C@H]1CO 299917042 572985588 /nfs/dbraw/zinc/98/55/88/572985588.db2.gz XJQWLEJJXCFBOL-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1CCN([C@H](C)CC(N)=[NH2+])C[C@H]1O 299920591 572985689 /nfs/dbraw/zinc/98/56/89/572985689.db2.gz 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ACAEHO CO[C@@H]1CCCN([C@H]2CC[C@H]([NH3+])C2)C1 299920119 572985922 /nfs/dbraw/zinc/98/59/22/572985922.db2.gz XOYWGFXXCKBCQJ-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CCC(N)(CC)C[NH2+]CCOC 86814724 572986141 /nfs/dbraw/zinc/98/61/41/572986141.db2.gz UZBXZLHERQTIRA-UHFFFAOYSA-N 1 3 174.288 0.740 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NCCOCC2CC2)C1 236311111 572986344 /nfs/dbraw/zinc/98/63/44/572986344.db2.gz BNERDFUHGMAKLV-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](C[NH3+])CN1CC[C@@H](C)[C@H](O)C1 299918868 572986499 /nfs/dbraw/zinc/98/64/99/572986499.db2.gz VSHBEUHUWQEJBA-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@@H](C)[C@H](O)C1 299918868 572986501 /nfs/dbraw/zinc/98/65/01/572986501.db2.gz VSHBEUHUWQEJBA-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO CO[C@@H]1CCCN([C@H]2CC[C@@H]([NH3+])C2)C1 299920121 572986541 /nfs/dbraw/zinc/98/65/41/572986541.db2.gz XOYWGFXXCKBCQJ-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CC[C@@H](C)[C@H](O)C1 299920590 572986658 /nfs/dbraw/zinc/98/66/58/572986658.db2.gz YEYZLKMRSMDZAY-HRDYMLBCSA-N 1 3 199.298 0.404 10 0 ACAEHO CNC[C@@H](F)[C@H]1CCC[N@H+](C)C1 257922336 572992963 /nfs/dbraw/zinc/99/29/63/572992963.db2.gz RQYIXCHNJHYHFV-DTWKUNHWSA-N 1 3 174.263 0.886 10 0 ACAEHO CNC[C@@H](F)[C@H]1CCC[N@@H+](C)C1 257922336 572992965 /nfs/dbraw/zinc/99/29/65/572992965.db2.gz RQYIXCHNJHYHFV-DTWKUNHWSA-N 1 3 174.263 0.886 10 0 ACAEHO C[C@H]1C[C@@H](Nc2nccn2C)CC[NH2+]1 235677759 572992890 /nfs/dbraw/zinc/99/28/90/572992890.db2.gz RMPDUUPZMZVTBX-IUCAKERBSA-N 1 3 194.282 0.973 10 0 ACAEHO NCc1cnc([C@@H]2CC[NH2+]C2)s1 258207138 572993197 /nfs/dbraw/zinc/99/31/97/572993197.db2.gz UEUPUWHKPNODSZ-ZCFIWIBFSA-N 1 3 183.280 0.679 10 0 ACAEHO CN(C)CCNc1cccc(NN)[nH+]1 87904354 572993380 /nfs/dbraw/zinc/99/33/80/572993380.db2.gz VJGDLNFYSORVFG-UHFFFAOYSA-N 1 3 195.270 0.341 10 0 ACAEHO CC(C)[C@@H](C[NH3+])C(=O)[C@H]1CCN(C)C1 259033241 572993572 /nfs/dbraw/zinc/99/35/72/572993572.db2.gz BWGLFBSCAQQXDW-VHSXEESVSA-N 1 3 198.310 0.738 10 0 ACAEHO NCc1cnc([C@H]2CC[NH2+]C2)s1 258207136 572993718 /nfs/dbraw/zinc/99/37/18/572993718.db2.gz UEUPUWHKPNODSZ-LURJTMIESA-N 1 3 183.280 0.679 10 0 ACAEHO CNCc1cnc(C[C@H]2CC[NH2+]C2)o1 257921454 572993767 /nfs/dbraw/zinc/99/37/67/572993767.db2.gz DEKGLEFAUJPZFO-MRVPVSSYSA-N 1 3 195.266 0.546 10 0 ACAEHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CCO1 235435421 572993800 /nfs/dbraw/zinc/99/38/00/572993800.db2.gz GDTXSVOLKDSLQN-OUAUKWLOSA-N 1 3 198.310 0.896 10 0 ACAEHO CC(C)[C@H](C[NH3+])C(=O)[C@@H]1CCN(C)C1 259033243 572993814 /nfs/dbraw/zinc/99/38/14/572993814.db2.gz BWGLFBSCAQQXDW-ZJUUUORDSA-N 1 3 198.310 0.738 10 0 ACAEHO CNC[C@H](F)[C@H]1CCC[N@H+](C)C1 257922337 572994226 /nfs/dbraw/zinc/99/42/26/572994226.db2.gz RQYIXCHNJHYHFV-IUCAKERBSA-N 1 3 174.263 0.886 10 0 ACAEHO CNC[C@H](F)[C@H]1CCC[N@@H+](C)C1 257922337 572994234 /nfs/dbraw/zinc/99/42/34/572994234.db2.gz RQYIXCHNJHYHFV-IUCAKERBSA-N 1 3 174.263 0.886 10 0 ACAEHO CNCc1ccc(NN)[nH+]c1 104533142 572994312 /nfs/dbraw/zinc/99/43/12/572994312.db2.gz KHCKXUAITWGDAT-UHFFFAOYSA-N 1 3 152.201 0.087 10 0 ACAEHO C[NH+](C)[C@H]1CCC[C@@]2(CNCCO2)C1 715227613 572994316 /nfs/dbraw/zinc/99/43/16/572994316.db2.gz HVJCLBJBOCBTJH-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1C[C@@H](N(C)CCN(C)C)C[NH2+]1 308216436 572994430 /nfs/dbraw/zinc/99/44/30/572994430.db2.gz ZXBWNIOLRQOCRZ-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO CC(C)[C@H](C[NH3+])C(=O)[C@H]1CCN(C)C1 259033238 572994721 /nfs/dbraw/zinc/99/47/21/572994721.db2.gz BWGLFBSCAQQXDW-UWVGGRQHSA-N 1 3 198.310 0.738 10 0 ACAEHO CN1C[C@@H](F)[C@H](CCC[NH3+])C1 258470617 572994747 /nfs/dbraw/zinc/99/47/47/572994747.db2.gz IHHXRRRUVWYVKL-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@H]([C@@H]1CC[N@H+](C)C1)N(C)C 259303630 572994778 /nfs/dbraw/zinc/99/47/78/572994778.db2.gz WPBMEJTZUIBDKQ-RKDXNWHRSA-N 1 3 156.273 0.888 10 0 ACAEHO C[C@H]([C@@H]1CC[N@@H+](C)C1)N(C)C 259303630 572994782 /nfs/dbraw/zinc/99/47/82/572994782.db2.gz WPBMEJTZUIBDKQ-RKDXNWHRSA-N 1 3 156.273 0.888 10 0 ACAEHO CC(C)(CN)[C@H]([NH3+])C1CCOCC1 259302420 572994971 /nfs/dbraw/zinc/99/49/71/572994971.db2.gz KEOHWSJRWPHAQH-SECBINFHSA-N 1 3 186.299 0.725 10 0 ACAEHO CNC[C@H](F)[C@@H]1CCC[N@@H+](C)C1 257922334 572995611 /nfs/dbraw/zinc/99/56/11/572995611.db2.gz RQYIXCHNJHYHFV-BDAKNGLRSA-N 1 3 174.263 0.886 10 0 ACAEHO NCC1([C@H]([NH3+])C2CCOCC2)CCC1 259302846 572995336 /nfs/dbraw/zinc/99/53/36/572995336.db2.gz IDJZJJXYZKRFCG-SNVBAGLBSA-N 1 3 198.310 0.869 10 0 ACAEHO CN1C[C@H](F)[C@H](CCC[NH3+])C1 258470621 572995344 /nfs/dbraw/zinc/99/53/44/572995344.db2.gz IHHXRRRUVWYVKL-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO CN1C[C@H](CCC[NH3+])[C@@H](F)C1 258470623 572995454 /nfs/dbraw/zinc/99/54/54/572995454.db2.gz IHHXRRRUVWYVKL-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@H]([C@H]1CC[N@H+](C)C1)N(C)C 259303619 572995551 /nfs/dbraw/zinc/99/55/51/572995551.db2.gz WPBMEJTZUIBDKQ-BDAKNGLRSA-N 1 3 156.273 0.888 10 0 ACAEHO C[C@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259303619 572995559 /nfs/dbraw/zinc/99/55/59/572995559.db2.gz WPBMEJTZUIBDKQ-BDAKNGLRSA-N 1 3 156.273 0.888 10 0 ACAEHO CNC[C@H](F)[C@@H]1CCC[N@H+](C)C1 257922334 572995606 /nfs/dbraw/zinc/99/56/06/572995606.db2.gz RQYIXCHNJHYHFV-BDAKNGLRSA-N 1 3 174.263 0.886 10 0 ACAEHO C[C@@H]([C@H]1CC[N@H+](C)C1)N(C)C 259303628 572995848 /nfs/dbraw/zinc/99/58/48/572995848.db2.gz WPBMEJTZUIBDKQ-IUCAKERBSA-N 1 3 156.273 0.888 10 0 ACAEHO C[C@@H]([C@H]1CC[N@@H+](C)C1)N(C)C 259303628 572995854 /nfs/dbraw/zinc/99/58/54/572995854.db2.gz WPBMEJTZUIBDKQ-IUCAKERBSA-N 1 3 156.273 0.888 10 0 ACAEHO CC[C@H](CCN)[NH2+]C 113296830 572995882 /nfs/dbraw/zinc/99/58/82/572995882.db2.gz PRDYXXYQPMVENI-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO CN1C[C@@H](F)[C@@H](CCC[NH3+])C1 258470619 572996616 /nfs/dbraw/zinc/99/66/16/572996616.db2.gz IHHXRRRUVWYVKL-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO CCNCC[n+]1ccccc1 238241432 572996802 /nfs/dbraw/zinc/99/68/02/572996802.db2.gz LVEWCJRDFHSYKQ-UHFFFAOYSA-N 1 3 151.233 0.584 10 0 ACAEHO CNCc1cnc(C[C@@H]2CC[NH2+]C2)o1 257921458 572996834 /nfs/dbraw/zinc/99/68/34/572996834.db2.gz DEKGLEFAUJPZFO-QMMMGPOBSA-N 1 3 195.266 0.546 10 0 ACAEHO C[C@@H]([C@@H]1CC[N@H+](C)C1)N(C)C 259303623 572997575 /nfs/dbraw/zinc/99/75/75/572997575.db2.gz WPBMEJTZUIBDKQ-DTWKUNHWSA-N 1 3 156.273 0.888 10 0 ACAEHO C[C@@H]([C@@H]1CC[N@@H+](C)C1)N(C)C 259303623 572997581 /nfs/dbraw/zinc/99/75/81/572997581.db2.gz WPBMEJTZUIBDKQ-DTWKUNHWSA-N 1 3 156.273 0.888 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CC[C@@](C)(O)C1 235437893 572997744 /nfs/dbraw/zinc/99/77/44/572997744.db2.gz JQJGUDLPYVKQMJ-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CCN)[N@H+]1CC[C@@](C)(O)C1 235437893 572997752 /nfs/dbraw/zinc/99/77/52/572997752.db2.gz JQJGUDLPYVKQMJ-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CC[NH3+])N1CC[C@@](C)(O)C1 235437893 572997770 /nfs/dbraw/zinc/99/77/70/572997770.db2.gz JQJGUDLPYVKQMJ-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)[C@@H](C[NH3+])C(=O)[C@@H]1CCN(C)C1 259033235 572997869 /nfs/dbraw/zinc/99/78/69/572997869.db2.gz BWGLFBSCAQQXDW-NXEZZACHSA-N 1 3 198.310 0.738 10 0 ACAEHO CO[C@]1(CN)CC[N@@H+](C(C)(C)C)C1 257923667 572998512 /nfs/dbraw/zinc/99/85/12/572998512.db2.gz RURAARKXADSXIV-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@]1(CN)CC[N@H+](C(C)(C)C)C1 257923667 572998518 /nfs/dbraw/zinc/99/85/18/572998518.db2.gz RURAARKXADSXIV-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO NCC1([C@@H]([NH3+])C2CCOCC2)CCC1 259302841 572999658 /nfs/dbraw/zinc/99/96/58/572999658.db2.gz IDJZJJXYZKRFCG-JTQLQIEISA-N 1 3 198.310 0.869 10 0 ACAEHO CCN1CCN([C@@H]2CC[C@@H]2C[NH3+])CC1 87921769 573000326 /nfs/dbraw/zinc/00/03/26/573000326.db2.gz YVDIWAFFUFMUCB-GHMZBOCLSA-N 1 3 197.326 0.361 10 0 ACAEHO COC1CCN([C@@H]2CC[C@@H]2C[NH3+])CC1 87922200 573000438 /nfs/dbraw/zinc/00/04/38/573000438.db2.gz OIAUWEUCJGRLMQ-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C)[C@H]1CC[C@H]1C[NH3+] 87921796 573000466 /nfs/dbraw/zinc/00/04/66/573000466.db2.gz JWKMQARIGPRDGD-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO CCN1CCN([C@H]2CC[C@@H]2C[NH3+])CC1 87921770 573000517 /nfs/dbraw/zinc/00/05/17/573000517.db2.gz YVDIWAFFUFMUCB-MNOVXSKESA-N 1 3 197.326 0.361 10 0 ACAEHO C[N@@H+](C1CCOCC1)[C@@H]1CC[C@@H]1CN 87922396 573000561 /nfs/dbraw/zinc/00/05/61/573000561.db2.gz VBMYODROFBTBLU-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C1CCOCC1)[C@@H]1CC[C@@H]1CN 87922396 573000567 /nfs/dbraw/zinc/00/05/67/573000567.db2.gz VBMYODROFBTBLU-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO NC[C@@H]1CC[C@H]1[NH+]1CCCC1 87921413 573000603 /nfs/dbraw/zinc/00/06/03/573000603.db2.gz MJMYIFOWOLMHKU-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO COC1CCN([C@H]2CC[C@@H]2C[NH3+])CC1 87922201 573000686 /nfs/dbraw/zinc/00/06/86/573000686.db2.gz OIAUWEUCJGRLMQ-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C1CCOCC1)[C@@H]1CC[C@@H]1C[NH3+] 87922396 573000573 /nfs/dbraw/zinc/00/05/73/573000573.db2.gz VBMYODROFBTBLU-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO CCN[C@@H]1COC[C@@H]1C[NH2+]C1CC1 85387381 573000728 /nfs/dbraw/zinc/00/07/28/573000728.db2.gz QAZMOBWXZPPJIZ-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO CC[NH2+][C@@H]1COC[C@@H]1CNC1CC1 85387381 573000734 /nfs/dbraw/zinc/00/07/34/573000734.db2.gz QAZMOBWXZPPJIZ-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@@H]2C[NH3+])CCCO1 87922986 573001076 /nfs/dbraw/zinc/00/10/76/573001076.db2.gz OGKSNFKHSGFXKG-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CCCN[C@@H]1COC[C@@H]1C[NH+](C)C 85390223 573001077 /nfs/dbraw/zinc/00/10/77/573001077.db2.gz NADNTAHQYZDPFN-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO NC[C@@H]1CC[C@@H]1[NH+]1CCCC1 87921414 573001572 /nfs/dbraw/zinc/00/15/72/573001572.db2.gz MJMYIFOWOLMHKU-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO CN(C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87921972 573001626 /nfs/dbraw/zinc/00/16/26/573001626.db2.gz GBOIQVVOBUWADZ-VXNVDRBHSA-N 1 3 154.257 0.818 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H]1N(C)C 87921789 573001674 /nfs/dbraw/zinc/00/16/74/573001674.db2.gz GRDKPBFNXOPNCL-YUMQZZPRSA-N 1 3 142.246 0.546 10 0 ACAEHO CN(C)[C@@H]1CC[C@H]1C[NH3+] 87921795 573001694 /nfs/dbraw/zinc/00/16/94/573001694.db2.gz JWKMQARIGPRDGD-NKWVEPMBSA-N 1 3 128.219 0.285 10 0 ACAEHO CO[C@@]1(CN)CC[N@@H+](C(C)(C)C)C1 257923669 573001845 /nfs/dbraw/zinc/00/18/45/573001845.db2.gz RURAARKXADSXIV-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN1CCN([C@H]2CC[C@H]2C[NH3+])CC1 87921772 573001847 /nfs/dbraw/zinc/00/18/47/573001847.db2.gz YVDIWAFFUFMUCB-QWRGUYRKSA-N 1 3 197.326 0.361 10 0 ACAEHO CO[C@@]1(CN)CC[N@H+](C(C)(C)C)C1 257923669 573001851 /nfs/dbraw/zinc/00/18/51/573001851.db2.gz RURAARKXADSXIV-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[C@H](C)[N@H+](C)C[C@@H](C)CN 162338626 573001868 /nfs/dbraw/zinc/00/18/68/573001868.db2.gz VRBKCQLAIYUVTA-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCC[C@H](C)[N@@H+](C)C[C@@H](C)CN 162338626 573001874 /nfs/dbraw/zinc/00/18/74/573001874.db2.gz VRBKCQLAIYUVTA-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO COCC[C@H](C)N(C)C[C@@H](C)C[NH3+] 162338626 573001883 /nfs/dbraw/zinc/00/18/83/573001883.db2.gz VRBKCQLAIYUVTA-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO C[NH2+][C@H]1COC[C@@H]1CN(C)C(C)C 85382241 573001943 /nfs/dbraw/zinc/00/19/43/573001943.db2.gz IMMPWQXVQOPAJX-UWVGGRQHSA-N 1 3 186.299 0.561 10 0 ACAEHO CN(C)[C@H]1CC[C@@H]1C[NH3+] 87921794 573002121 /nfs/dbraw/zinc/00/21/21/573002121.db2.gz JWKMQARIGPRDGD-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO CN1CCCN([C@@H]2CC[C@@H]2C[NH3+])CC1 87921831 573002292 /nfs/dbraw/zinc/00/22/92/573002292.db2.gz RMJZVLNSOIXFDB-GHMZBOCLSA-N 1 3 197.326 0.361 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@H]1N(C)C 87921804 573002362 /nfs/dbraw/zinc/00/23/62/573002362.db2.gz AVDLKLDPDZPRRJ-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@@H]1N(C)C 87921801 573002436 /nfs/dbraw/zinc/00/24/36/573002436.db2.gz AVDLKLDPDZPRRJ-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@@H]1N(C)C 87921790 573002563 /nfs/dbraw/zinc/00/25/63/573002563.db2.gz GRDKPBFNXOPNCL-SFYZADRCSA-N 1 3 142.246 0.546 10 0 ACAEHO C[NH2+][C@@H]1COC[C@H]1CN1CCCCC1 85382257 573002585 /nfs/dbraw/zinc/00/25/85/573002585.db2.gz DLHZGKKCFACNJB-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO NC[C@H]1CC[C@@H]1[NH+]1CCCC1 87921412 573002819 /nfs/dbraw/zinc/00/28/19/573002819.db2.gz MJMYIFOWOLMHKU-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@@H]1N(C)C 87921802 573003671 /nfs/dbraw/zinc/00/36/71/573003671.db2.gz AVDLKLDPDZPRRJ-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CN(C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87921973 573003822 /nfs/dbraw/zinc/00/38/22/573003822.db2.gz GBOIQVVOBUWADZ-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[NH2+][C@H]1COC[C@H]1CN1CCCCC1 85382261 573004083 /nfs/dbraw/zinc/00/40/83/573004083.db2.gz DLHZGKKCFACNJB-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO [NH3+]C[C@H]1CC[C@H]1N1CCCOCC1 87923002 573004383 /nfs/dbraw/zinc/00/43/83/573004383.db2.gz CPNXLDFTULOUFJ-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO COC1CCN([C@H]2CC[C@H]2C[NH3+])CC1 87922203 573004413 /nfs/dbraw/zinc/00/44/13/573004413.db2.gz OIAUWEUCJGRLMQ-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO CCN(C)[C@H]1CC[C@@H]1C[NH2+]C 87921995 573004512 /nfs/dbraw/zinc/00/45/12/573004512.db2.gz FMJLOYYBZCMTAR-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CNC[C@@H](F)[C@@H]1CCC[N@H+](C)C1 257922340 573004542 /nfs/dbraw/zinc/00/45/42/573004542.db2.gz RQYIXCHNJHYHFV-RKDXNWHRSA-N 1 3 174.263 0.886 10 0 ACAEHO CNC[C@@H](F)[C@@H]1CCC[N@@H+](C)C1 257922340 573004547 /nfs/dbraw/zinc/00/45/47/573004547.db2.gz RQYIXCHNJHYHFV-RKDXNWHRSA-N 1 3 174.263 0.886 10 0 ACAEHO CCN(C)[C@@H]1CC[C@@H]1C[NH3+] 87921996 573004578 /nfs/dbraw/zinc/00/45/78/573004578.db2.gz YYJJDMINFJXHDA-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+](C)[C@@H]1CC[C@@H]1CN 87921996 573004584 /nfs/dbraw/zinc/00/45/84/573004584.db2.gz YYJJDMINFJXHDA-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CC[C@@H]1CN 87921996 573004589 /nfs/dbraw/zinc/00/45/89/573004589.db2.gz YYJJDMINFJXHDA-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@H]1N(C)C 87921803 573004811 /nfs/dbraw/zinc/00/48/11/573004811.db2.gz AVDLKLDPDZPRRJ-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@H]1CC[C@@H]1C[NH3+] 87921997 573004835 /nfs/dbraw/zinc/00/48/35/573004835.db2.gz YYJJDMINFJXHDA-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+](C)[C@H]1CC[C@@H]1CN 87921997 573004845 /nfs/dbraw/zinc/00/48/45/573004845.db2.gz YYJJDMINFJXHDA-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+](C)[C@H]1CC[C@@H]1CN 87921997 573004851 /nfs/dbraw/zinc/00/48/51/573004851.db2.gz YYJJDMINFJXHDA-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH2+][C@H]1COC[C@H]1CN(C)C(C)C 85382236 573004862 /nfs/dbraw/zinc/00/48/62/573004862.db2.gz IMMPWQXVQOPAJX-ZJUUUORDSA-N 1 3 186.299 0.561 10 0 ACAEHO N[C@H](C1CCC1)C1([NH3+])CC1 259307890 573004962 /nfs/dbraw/zinc/00/49/62/573004962.db2.gz IHWBSBZPOHCNBO-SSDOTTSWSA-N 1 3 140.230 0.605 10 0 ACAEHO CC[C@]([NH3+])(CO)[C@H]1CCCN(C)C1 215022076 573005135 /nfs/dbraw/zinc/00/51/35/573005135.db2.gz JILVVZPGLMJDMJ-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCN(C)[C@@H]1CC[C@@H]1C[NH2+]C 87921994 573005174 /nfs/dbraw/zinc/00/51/74/573005174.db2.gz FMJLOYYBZCMTAR-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CNC1C[C@@H]2CC[C@H](C1)[NH2+]2 82367070 573005323 /nfs/dbraw/zinc/00/53/23/573005323.db2.gz WNSSUFJHJNONCC-DHBOJHSNSA-N 1 3 140.230 0.489 10 0 ACAEHO C[C@]1(N)CCCC[C@@H]1[NH3+] 113464543 573005560 /nfs/dbraw/zinc/00/55/60/573005560.db2.gz JDYLPJOEIBBFGC-BQBZGAKWSA-N 1 3 128.219 0.605 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H]1N(C)C 87921791 573005853 /nfs/dbraw/zinc/00/58/53/573005853.db2.gz GRDKPBFNXOPNCL-JGVFFNPUSA-N 1 3 142.246 0.546 10 0 ACAEHO CC[C@@]([NH3+])(CO)[C@@H]1CCCN(C)C1 215021938 573006213 /nfs/dbraw/zinc/00/62/13/573006213.db2.gz JILVVZPGLMJDMJ-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO NC[C@H]1CC[C@H]1[NH+]1CCCC1 87921411 573006279 /nfs/dbraw/zinc/00/62/79/573006279.db2.gz MJMYIFOWOLMHKU-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO COC1CCN([C@@H]2CC[C@H]2C[NH3+])CC1 87922202 573006335 /nfs/dbraw/zinc/00/63/35/573006335.db2.gz OIAUWEUCJGRLMQ-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@]1(N)CCCC[C@H]1[NH3+] 113464544 573006408 /nfs/dbraw/zinc/00/64/08/573006408.db2.gz JDYLPJOEIBBFGC-RNFRBKRXSA-N 1 3 128.219 0.605 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@@H]2C[NH3+])CCN1C 87923114 573006460 /nfs/dbraw/zinc/00/64/60/573006460.db2.gz GVNZFKREJGIKPX-GMTAPVOTSA-N 1 3 197.326 0.360 10 0 ACAEHO C[NH2+][C@H]1COC[C@@H]1CN1CCCCC1 85382253 573006626 /nfs/dbraw/zinc/00/66/26/573006626.db2.gz DLHZGKKCFACNJB-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@@H+](C1CCOCC1)[C@H]1CC[C@@H]1CN 87922397 573006783 /nfs/dbraw/zinc/00/67/83/573006783.db2.gz VBMYODROFBTBLU-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C1CCOCC1)[C@H]1CC[C@@H]1CN 87922397 573006788 /nfs/dbraw/zinc/00/67/88/573006788.db2.gz VBMYODROFBTBLU-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C1CCOCC1)[C@H]1CC[C@@H]1C[NH3+] 87922397 573006795 /nfs/dbraw/zinc/00/67/95/573006795.db2.gz VBMYODROFBTBLU-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@]1(N)CCCC[C@H]1[NH3+] 113464546 573007297 /nfs/dbraw/zinc/00/72/97/573007297.db2.gz JDYLPJOEIBBFGC-RQJHMYQMSA-N 1 3 128.219 0.605 10 0 ACAEHO CC[C@]([NH3+])(CO)[C@@H]1CCCN(C)C1 215021984 573007298 /nfs/dbraw/zinc/00/72/98/573007298.db2.gz JILVVZPGLMJDMJ-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO N[C@@H](C1CCC1)C1([NH3+])CC1 259307894 573007693 /nfs/dbraw/zinc/00/76/93/573007693.db2.gz IHWBSBZPOHCNBO-ZETCQYMHSA-N 1 3 140.230 0.605 10 0 ACAEHO CCOC(=O)CCNC[C@@H](C)C[NH3+] 308221320 573008918 /nfs/dbraw/zinc/00/89/18/573008918.db2.gz CNQIMALVXAWJLS-QMMMGPOBSA-N 1 3 188.271 0.124 10 0 ACAEHO CCOC(=O)CC[NH2+]C[C@@H](C)CN 308221320 573008925 /nfs/dbraw/zinc/00/89/25/573008925.db2.gz CNQIMALVXAWJLS-QMMMGPOBSA-N 1 3 188.271 0.124 10 0 ACAEHO CNCc1cnc(C[C@H]2CCC[NH2+]2)o1 258221850 573009003 /nfs/dbraw/zinc/00/90/03/573009003.db2.gz VBAXUPBWHZQZFT-MRVPVSSYSA-N 1 3 195.266 0.689 10 0 ACAEHO CCN(C)C[C@]1(C)COC[C@@H]1[NH3+] 85395946 573009174 /nfs/dbraw/zinc/00/91/74/573009174.db2.gz JTMRUGFCXIBLHF-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO NC[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1[NH3+] 104557316 573009259 /nfs/dbraw/zinc/00/92/59/573009259.db2.gz CRFBEUQREXDLPR-OSMVPFSASA-N 1 3 140.230 0.319 10 0 ACAEHO CCOC(=O)CC[NH2+]C[C@H](C)CN 308221318 573010148 /nfs/dbraw/zinc/01/01/48/573010148.db2.gz CNQIMALVXAWJLS-MRVPVSSYSA-N 1 3 188.271 0.124 10 0 ACAEHO CO[C@]1(C)CCN([C@@H](C[NH3+])C2CC2)C1 308474919 573009756 /nfs/dbraw/zinc/00/97/56/573009756.db2.gz JBRYZQBLTDGURD-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CCOC(=O)CCNC[C@H](C)C[NH3+] 308221318 573010141 /nfs/dbraw/zinc/01/01/41/573010141.db2.gz CNQIMALVXAWJLS-MRVPVSSYSA-N 1 3 188.271 0.124 10 0 ACAEHO CO[C@]1(C)CCN([C@H](C[NH3+])C2CC2)C1 308474915 573010590 /nfs/dbraw/zinc/01/05/90/573010590.db2.gz JBRYZQBLTDGURD-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO CNCC1=CCC[N@H+](C)C1 258219904 573010891 /nfs/dbraw/zinc/01/08/91/573010891.db2.gz VRRZABBQGYJAMN-UHFFFAOYSA-N 1 3 140.230 0.468 10 0 ACAEHO CNCC1=CCC[N@@H+](C)C1 258219904 573010898 /nfs/dbraw/zinc/01/08/98/573010898.db2.gz VRRZABBQGYJAMN-UHFFFAOYSA-N 1 3 140.230 0.468 10 0 ACAEHO CN1CC[C@H]([C@H]([NH3+])CCCO)C1 215025530 573011729 /nfs/dbraw/zinc/01/17/29/573011729.db2.gz HEHJHBNFNXJYRS-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO [NH3+][C@@]1(CCO)CCN2CCC1CC2 215026375 573011835 /nfs/dbraw/zinc/01/18/35/573011835.db2.gz RISHGURHBJANRS-SNVBAGLBSA-N 1 3 184.283 0.182 10 0 ACAEHO CN1CC[C@@H]([C@H]([NH3+])CCCO)C1 215025582 573012165 /nfs/dbraw/zinc/01/21/65/573012165.db2.gz HEHJHBNFNXJYRS-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CNCc1cnc(C[C@@H]2CCC[NH2+]2)o1 258221852 573012219 /nfs/dbraw/zinc/01/22/19/573012219.db2.gz VBAXUPBWHZQZFT-QMMMGPOBSA-N 1 3 195.266 0.689 10 0 ACAEHO C[C@H](N)C1=CCC[NH2+]C1 257922846 573012675 /nfs/dbraw/zinc/01/26/75/573012675.db2.gz CCAAUASPNLINET-LURJTMIESA-N 1 3 126.203 0.253 10 0 ACAEHO [NH3+][C@]1(CCO)CCN2CCC1CC2 215026417 573013017 /nfs/dbraw/zinc/01/30/17/573013017.db2.gz RISHGURHBJANRS-JTQLQIEISA-N 1 3 184.283 0.182 10 0 ACAEHO CO[C@@]1(C)CCN([C@@H](C[NH3+])C2CC2)C1 308474917 573013231 /nfs/dbraw/zinc/01/32/31/573013231.db2.gz JBRYZQBLTDGURD-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CN1CCC=C(CN2CC[NH2+]CC2)C1 257922863 573013336 /nfs/dbraw/zinc/01/33/36/573013336.db2.gz CCGPQAKBSLSJIG-UHFFFAOYSA-N 1 3 195.310 0.154 10 0 ACAEHO CCN(C)C[C@@]1(C)COC[C@@H]1[NH3+] 85395948 573013354 /nfs/dbraw/zinc/01/33/54/573013354.db2.gz JTMRUGFCXIBLHF-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@@H](N)C1=CCC[NH2+]C1 257922848 573013416 /nfs/dbraw/zinc/01/34/16/573013416.db2.gz CCAAUASPNLINET-ZCFIWIBFSA-N 1 3 126.203 0.253 10 0 ACAEHO C/C(N)=C(\N(C)C)[NH+](C)C 104563066 573013424 /nfs/dbraw/zinc/01/34/24/573013424.db2.gz BWDZYFOMWJRLRU-UHFFFAOYSA-N 1 3 143.234 0.257 10 0 ACAEHO C/C(N)=C(/N(C)C)[NH+](C)C 104563066 573013431 /nfs/dbraw/zinc/01/34/31/573013431.db2.gz BWDZYFOMWJRLRU-UHFFFAOYSA-N 1 3 143.234 0.257 10 0 ACAEHO CSC[C@H](N)[C@@H]1CC[NH2+]C1 258223272 573014688 /nfs/dbraw/zinc/01/46/88/573014688.db2.gz QXLFACRLQAJXSK-RQJHMYQMSA-N 1 3 160.286 0.286 10 0 ACAEHO C1C[NH2+]C[C@@H](C[C@@H]2NCCO2)C1 258225735 573015872 /nfs/dbraw/zinc/01/58/72/573015872.db2.gz XZVVRSCASZTKBZ-RKDXNWHRSA-N 1 3 170.256 0.322 10 0 ACAEHO CSC[C@@H](N)[C@H]1CC[NH2+]C1 258223270 573015993 /nfs/dbraw/zinc/01/59/93/573015993.db2.gz QXLFACRLQAJXSK-NKWVEPMBSA-N 1 3 160.286 0.286 10 0 ACAEHO CC(C)([NH3+])CCNC[C@H](O)C(F)F 308225213 573016048 /nfs/dbraw/zinc/01/60/48/573016048.db2.gz QKSHGWQWVZXEHV-LURJTMIESA-N 1 3 196.241 0.329 10 0 ACAEHO C1C[NH2+]C[C@H](C[C@@H]2NCCO2)C1 258225712 573017032 /nfs/dbraw/zinc/01/70/32/573017032.db2.gz XZVVRSCASZTKBZ-DTWKUNHWSA-N 1 3 170.256 0.322 10 0 ACAEHO C[NH2+]CCc1noc([C@H]2CCCN2)n1 257923906 573018321 /nfs/dbraw/zinc/01/83/21/573018321.db2.gz GLNHYYOHCUVVRF-SSDOTTSWSA-N 1 3 196.254 0.256 10 0 ACAEHO C[NH2+]CCc1noc([C@@H]2CCCN2)n1 257923907 573018397 /nfs/dbraw/zinc/01/83/97/573018397.db2.gz GLNHYYOHCUVVRF-ZETCQYMHSA-N 1 3 196.254 0.256 10 0 ACAEHO CSC[C@@H](N)[C@@H]1CC[NH2+]C1 258223271 573019465 /nfs/dbraw/zinc/01/94/65/573019465.db2.gz QXLFACRLQAJXSK-RNFRBKRXSA-N 1 3 160.286 0.286 10 0 ACAEHO CC(C)[C@H]([NH3+])C(C)(C)CN 104568528 573020188 /nfs/dbraw/zinc/02/01/88/573020188.db2.gz FPDKNHYYJXJJGC-ZETCQYMHSA-N 1 3 144.262 0.955 10 0 ACAEHO CC(C)[C@@H]([NH3+])C(C)(C)CN 104568531 573020412 /nfs/dbraw/zinc/02/04/12/573020412.db2.gz FPDKNHYYJXJJGC-SSDOTTSWSA-N 1 3 144.262 0.955 10 0 ACAEHO [NH3+]CCc1ccc2c(c1)CNC2 258227004 573021035 /nfs/dbraw/zinc/02/10/35/573021035.db2.gz RLCNQLLODJOICL-UHFFFAOYSA-N 1 3 162.236 0.791 10 0 ACAEHO C[C@H]1CNC[C@H](C)C1[NH2+]C1CC1 141705050 573021114 /nfs/dbraw/zinc/02/11/14/573021114.db2.gz PZQUEAMFJFUJGG-YUMQZZPRSA-N 1 3 168.284 0.982 10 0 ACAEHO CCN1CC=C(C[NH3+])C1 258229557 573021251 /nfs/dbraw/zinc/02/12/51/573021251.db2.gz WKFBZPSKHSOQMH-UHFFFAOYSA-N 1 3 126.203 0.207 10 0 ACAEHO CC[N@@H+]1CC=C(CN)C1 258229557 573021256 /nfs/dbraw/zinc/02/12/56/573021256.db2.gz WKFBZPSKHSOQMH-UHFFFAOYSA-N 1 3 126.203 0.207 10 0 ACAEHO CC[N@H+]1CC=C(CN)C1 258229557 573021260 /nfs/dbraw/zinc/02/12/60/573021260.db2.gz WKFBZPSKHSOQMH-UHFFFAOYSA-N 1 3 126.203 0.207 10 0 ACAEHO NC[C@H](C[NH2+]C1CC1)C1CC1 258229266 573021269 /nfs/dbraw/zinc/02/12/69/573021269.db2.gz KWJKRAPFWKYBQB-MRVPVSSYSA-N 1 3 154.257 0.723 10 0 ACAEHO [NH3+]C[C@H](CNC1CC1)C1CC1 258229266 573021272 /nfs/dbraw/zinc/02/12/72/573021272.db2.gz KWJKRAPFWKYBQB-MRVPVSSYSA-N 1 3 154.257 0.723 10 0 ACAEHO CO[C@H](CN)C[N@H+](C)CCC1CC1 308226776 573021629 /nfs/dbraw/zinc/02/16/29/573021629.db2.gz NGDHXMJAYDSKLH-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](CN)C[N@@H+](C)CCC1CC1 308226776 573021633 /nfs/dbraw/zinc/02/16/33/573021633.db2.gz NGDHXMJAYDSKLH-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H](C[NH3+])CN(C)CCC1CC1 308226776 573021638 /nfs/dbraw/zinc/02/16/38/573021638.db2.gz NGDHXMJAYDSKLH-SNVBAGLBSA-N 1 3 186.299 0.692 10 0 ACAEHO NC[C@@H](C[NH2+]C1CC1)C1CC1 258229267 573021886 /nfs/dbraw/zinc/02/18/86/573021886.db2.gz KWJKRAPFWKYBQB-QMMMGPOBSA-N 1 3 154.257 0.723 10 0 ACAEHO [NH3+]C[C@@H](CNC1CC1)C1CC1 258229267 573021892 /nfs/dbraw/zinc/02/18/92/573021892.db2.gz KWJKRAPFWKYBQB-QMMMGPOBSA-N 1 3 154.257 0.723 10 0 ACAEHO C[NH+](C)[C@@H]1CCC[C@@]2(CNCCO2)C1 715227348 573021938 /nfs/dbraw/zinc/02/19/38/573021938.db2.gz HVJCLBJBOCBTJH-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C1CNC1 686252428 573022338 /nfs/dbraw/zinc/02/23/38/573022338.db2.gz KISJLIDBKVBONU-WCABBAIRSA-N 1 3 198.310 0.751 10 0 ACAEHO CN1CCC([C@@H]2[NH2+]CCCO2)CC1 258229417 573022386 /nfs/dbraw/zinc/02/23/86/573022386.db2.gz YKFNEQQSHHRGCE-SNVBAGLBSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C1CNC1 686252429 573022803 /nfs/dbraw/zinc/02/28/03/573022803.db2.gz KISJLIDBKVBONU-YWVKMMECSA-N 1 3 198.310 0.751 10 0 ACAEHO CC(C)([NH3+])CCN1CC[C@H](CO)C1 308227847 573024444 /nfs/dbraw/zinc/02/44/44/573024444.db2.gz ROIYUAQCOGVKSI-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO OCCN1CCC[C@H]1[C@@H]1CCC[NH2+]C1 85438400 573025215 /nfs/dbraw/zinc/02/52/15/573025215.db2.gz YZGDYJFDUSMEPQ-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438400 573025220 /nfs/dbraw/zinc/02/52/20/573025220.db2.gz YZGDYJFDUSMEPQ-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@H+]1CCC[C@H]1[C@@H]1CCCNC1 85438400 573025227 /nfs/dbraw/zinc/02/52/27/573025227.db2.gz YZGDYJFDUSMEPQ-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO OCCN1CCC[C@H]1[C@H]1CCC[NH2+]C1 85438398 573025411 /nfs/dbraw/zinc/02/54/11/573025411.db2.gz YZGDYJFDUSMEPQ-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@@H+]1CCC[C@H]1[C@H]1CCCNC1 85438398 573025416 /nfs/dbraw/zinc/02/54/16/573025416.db2.gz YZGDYJFDUSMEPQ-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@H+]1CCC[C@H]1[C@H]1CCCNC1 85438398 573025422 /nfs/dbraw/zinc/02/54/22/573025422.db2.gz YZGDYJFDUSMEPQ-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](C[C@@H](C)O)NCCC(C)(C)[NH3+] 308229131 573025679 /nfs/dbraw/zinc/02/56/79/573025679.db2.gz SDSMXMHJRDWPMN-DTWKUNHWSA-N 1 3 188.315 0.863 10 0 ACAEHO CC(C)([NH3+])CCN1CC[C@@H](CO)C1 308227846 573026345 /nfs/dbraw/zinc/02/63/45/573026345.db2.gz ROIYUAQCOGVKSI-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN1CCC([C@H]2[NH2+]CCCO2)CC1 258229409 573026482 /nfs/dbraw/zinc/02/64/82/573026482.db2.gz YKFNEQQSHHRGCE-JTQLQIEISA-N 1 3 184.283 0.664 10 0 ACAEHO C[NH+](C)[C@@H]1CCC[C@]2(CNCCO2)C1 715227345 573026486 /nfs/dbraw/zinc/02/64/86/573026486.db2.gz HVJCLBJBOCBTJH-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H](O)C[C@@H](C)NCCC(C)(C)[NH3+] 308229133 573026495 /nfs/dbraw/zinc/02/64/95/573026495.db2.gz SDSMXMHJRDWPMN-RKDXNWHRSA-N 1 3 188.315 0.863 10 0 ACAEHO OCCN1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438404 573027053 /nfs/dbraw/zinc/02/70/53/573027053.db2.gz YZGDYJFDUSMEPQ-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438404 573027062 /nfs/dbraw/zinc/02/70/62/573027062.db2.gz YZGDYJFDUSMEPQ-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO OCC[N@H+]1CCC[C@@H]1[C@@H]1CCCNC1 85438404 573027068 /nfs/dbraw/zinc/02/70/68/573027068.db2.gz YZGDYJFDUSMEPQ-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO [NH3+][C@@H]1CC[C@H]1N1CCCC1 113796280 573027864 /nfs/dbraw/zinc/02/78/64/573027864.db2.gz YWAAFNFTXHNEJP-HTQZYQBOSA-N 1 3 140.230 0.572 10 0 ACAEHO C[NH2+]C1(CN(C)CCN(C)C)CCC1 308477694 573028040 /nfs/dbraw/zinc/02/80/40/573028040.db2.gz KEPUVXXIOZLRJA-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H](O)C[C@H](C)NCCC(C)(C)[NH3+] 308229132 573028276 /nfs/dbraw/zinc/02/82/76/573028276.db2.gz SDSMXMHJRDWPMN-IUCAKERBSA-N 1 3 188.315 0.863 10 0 ACAEHO CNC[C@H]([NH3+])[C@H]1CCSC1 258230556 573028383 /nfs/dbraw/zinc/02/83/83/573028383.db2.gz RJDNZCRSPQZXKC-BQBZGAKWSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@H](O)C[C@@H](C)NCCC(C)(C)[NH3+] 308229130 573028443 /nfs/dbraw/zinc/02/84/43/573028443.db2.gz SDSMXMHJRDWPMN-BDAKNGLRSA-N 1 3 188.315 0.863 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+](C)C1 82411191 573029588 /nfs/dbraw/zinc/02/95/88/573029588.db2.gz AVYLWQISSNDGKL-RNFRBKRXSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+](C)C1 82411191 573029593 /nfs/dbraw/zinc/02/95/93/573029593.db2.gz AVYLWQISSNDGKL-RNFRBKRXSA-N 1 3 128.219 0.285 10 0 ACAEHO CC[C@@H](O)CCNCCC(C)(C)[NH3+] 308230384 573030529 /nfs/dbraw/zinc/03/05/29/573030529.db2.gz SLJCRIZBRQSKMC-SECBINFHSA-N 1 3 188.315 0.864 10 0 ACAEHO C[NH2+]C1(C)CCNCC1 113738193 573030664 /nfs/dbraw/zinc/03/06/64/573030664.db2.gz DPZTVGNAZGTTFQ-UHFFFAOYSA-N 1 3 128.219 0.348 10 0 ACAEHO F[C@@H]1CCNC2(CC[NH2+]CC2)C1 258230052 573030784 /nfs/dbraw/zinc/03/07/84/573030784.db2.gz ZKVOIRARFNLNLQ-MRVPVSSYSA-N 1 3 172.247 0.830 10 0 ACAEHO F[C@@H]1CC[NH2+]C2(CCNCC2)C1 258230052 573030787 /nfs/dbraw/zinc/03/07/87/573030787.db2.gz ZKVOIRARFNLNLQ-MRVPVSSYSA-N 1 3 172.247 0.830 10 0 ACAEHO CNC[C@@H]([NH3+])[C@H]1CCSC1 258230557 573030838 /nfs/dbraw/zinc/03/08/38/573030838.db2.gz RJDNZCRSPQZXKC-NKWVEPMBSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+](C)C1 82411189 573031331 /nfs/dbraw/zinc/03/13/31/573031331.db2.gz AVYLWQISSNDGKL-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO CNC[C@H]([NH3+])[C@@H]1CCSC1 258230559 573031245 /nfs/dbraw/zinc/03/12/45/573031245.db2.gz RJDNZCRSPQZXKC-RQJHMYQMSA-N 1 3 160.286 0.286 10 0 ACAEHO F[C@H]1CCNC2(CC[NH2+]CC2)C1 258230056 573031294 /nfs/dbraw/zinc/03/12/94/573031294.db2.gz ZKVOIRARFNLNLQ-QMMMGPOBSA-N 1 3 172.247 0.830 10 0 ACAEHO F[C@H]1CC[NH2+]C2(CCNCC2)C1 258230056 573031299 /nfs/dbraw/zinc/03/12/99/573031299.db2.gz ZKVOIRARFNLNLQ-QMMMGPOBSA-N 1 3 172.247 0.830 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+](C)C1 82411189 573031325 /nfs/dbraw/zinc/03/13/25/573031325.db2.gz AVYLWQISSNDGKL-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO [NH3+][C@H]1CC[C@H]1N1CCCC1 113796283 573031409 /nfs/dbraw/zinc/03/14/09/573031409.db2.gz YWAAFNFTXHNEJP-JGVFFNPUSA-N 1 3 140.230 0.572 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H]1N1CCCC1 113796276 573031885 /nfs/dbraw/zinc/03/18/85/573031885.db2.gz YWAAFNFTXHNEJP-SFYZADRCSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+](C)C1 82411190 573032272 /nfs/dbraw/zinc/03/22/72/573032272.db2.gz AVYLWQISSNDGKL-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+](C)C1 82411190 573032277 /nfs/dbraw/zinc/03/22/77/573032277.db2.gz AVYLWQISSNDGKL-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO CN(C)CCC[NH2+]CCN1CCC1 308235213 573032601 /nfs/dbraw/zinc/03/26/01/573032601.db2.gz VUAKCCSBZYKTLX-UHFFFAOYSA-N 1 3 185.315 0.233 10 0 ACAEHO C[NH+](C)CCCNCCN1CCC1 308235213 573032605 /nfs/dbraw/zinc/03/26/05/573032605.db2.gz VUAKCCSBZYKTLX-UHFFFAOYSA-N 1 3 185.315 0.233 10 0 ACAEHO C[NH2+]CCCC(=O)[C@H]1CCCN(C)C1 259314367 573032925 /nfs/dbraw/zinc/03/29/25/573032925.db2.gz XHTOMMLYOLFNHM-JTQLQIEISA-N 1 3 198.310 0.897 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)NC[C@@H]1CC[NH2+]C1 235445232 573032955 /nfs/dbraw/zinc/03/29/55/573032955.db2.gz OURWPOBGUVCXIM-HBNTYKKESA-N 1 3 198.310 0.753 10 0 ACAEHO CNC[C@@H]([NH3+])[C@@H]1CCSC1 258230558 573033053 /nfs/dbraw/zinc/03/30/53/573033053.db2.gz RJDNZCRSPQZXKC-RNFRBKRXSA-N 1 3 160.286 0.286 10 0 ACAEHO CC[C@@H]([NH3+])CCN(C)C 82411073 573033475 /nfs/dbraw/zinc/03/34/75/573033475.db2.gz HUAYIEGFGBGCPQ-SSDOTTSWSA-N 1 3 130.235 0.675 10 0 ACAEHO Cc1cc(N)c(C[NH3+])c(C)n1 87974895 573033862 /nfs/dbraw/zinc/03/38/62/573033862.db2.gz ZLISAOYGHGEARA-UHFFFAOYSA-N 1 3 151.213 0.739 10 0 ACAEHO C[NH2+][C@@H](C)/C=C\CN(C)C 211929918 573034458 /nfs/dbraw/zinc/03/44/58/573034458.db2.gz FDQHUQATGCFRJC-SLGIHZDVSA-N 1 3 142.246 0.712 10 0 ACAEHO C1C[NH2+][C@@H](c2nc3c([nH]2)CNCC3)C1 258472711 573035573 /nfs/dbraw/zinc/03/55/73/573035573.db2.gz DXWKLDGHNZMSDY-MRVPVSSYSA-N 1 3 192.266 0.480 10 0 ACAEHO C1C[C@H](CNC2CCOCC2)C[NH2+]1 257925746 573035601 /nfs/dbraw/zinc/03/56/01/573035601.db2.gz SCIPWOVLKDWIRG-VIFPVBQESA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@H](CN)[NH+]1CCC(C)(O)CC1 88022477 573035715 /nfs/dbraw/zinc/03/57/15/573035715.db2.gz AKVADKHFZGSYNK-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO CO[C@]1(C[NH3+])CCCN(C2CC2)C1 257925759 573036299 /nfs/dbraw/zinc/03/62/99/573036299.db2.gz SCUOMIKIEFQRPO-JTQLQIEISA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCC(C)(O)CC1 88022608 573035735 /nfs/dbraw/zinc/03/57/35/573035735.db2.gz MVBIMCHOAMUCOA-MRVPVSSYSA-N 1 3 199.298 0.548 10 0 ACAEHO N[C@@H]1CC[C@@H]2CCC[NH2+][C@@H]2C1 141795775 573035887 /nfs/dbraw/zinc/03/58/87/573035887.db2.gz XKTLXWGZJDXMRM-DJLDLDEBSA-N 1 3 154.257 0.866 10 0 ACAEHO CO[C@]1(CN)CCC[N@@H+](C2CC2)C1 257925759 573036303 /nfs/dbraw/zinc/03/63/03/573036303.db2.gz SCUOMIKIEFQRPO-JTQLQIEISA-N 1 3 184.283 0.589 10 0 ACAEHO C1C[NH2+][C@H](c2nc3c([nH]2)CNCC3)C1 258472713 573035990 /nfs/dbraw/zinc/03/59/90/573035990.db2.gz DXWKLDGHNZMSDY-QMMMGPOBSA-N 1 3 192.266 0.480 10 0 ACAEHO C[C@@H](CN)[NH+]1CCC(C)(O)CC1 88022476 573035991 /nfs/dbraw/zinc/03/59/91/573035991.db2.gz AKVADKHFZGSYNK-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC1(O)CCN([C@H]2CC[C@H]([NH3+])C2)CC1 88023309 573036092 /nfs/dbraw/zinc/03/60/92/573036092.db2.gz KPWNJFPRAZXLAX-UWVGGRQHSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CC[C@H]2CCC[NH2+][C@@H]2C1 141796157 573036254 /nfs/dbraw/zinc/03/62/54/573036254.db2.gz XKTLXWGZJDXMRM-IWSPIJDZSA-N 1 3 154.257 0.866 10 0 ACAEHO CO[C@]1(CN)CCC[N@H+](C2CC2)C1 257925759 573036309 /nfs/dbraw/zinc/03/63/09/573036309.db2.gz SCUOMIKIEFQRPO-JTQLQIEISA-N 1 3 184.283 0.589 10 0 ACAEHO NC12CC3CC1([NH3+])CC3C2 104582362 573036548 /nfs/dbraw/zinc/03/65/48/573036548.db2.gz HZSAKNGBMHAAMP-UHFFFAOYSA-N 1 3 138.214 0.215 10 0 ACAEHO CC1(O)CCN(CCC(N)=[NH2+])CC1 88022613 573036658 /nfs/dbraw/zinc/03/66/58/573036658.db2.gz SDALBHBFBDPQFW-UHFFFAOYSA-N 1 3 185.271 0.159 10 0 ACAEHO C[C@@]1(O)CC[NH2+]C[C@@H]1CN1CCCC1 257925635 573036665 /nfs/dbraw/zinc/03/66/65/573036665.db2.gz YVISEIDHAHJGCH-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C1C[C@@H](CNC2CCOCC2)C[NH2+]1 257925744 573036790 /nfs/dbraw/zinc/03/67/90/573036790.db2.gz SCIPWOVLKDWIRG-SECBINFHSA-N 1 3 184.283 0.365 10 0 ACAEHO CC1(O)CC[NH+]([C@@H]2CCC[C@@H]2N)CC1 88022908 573036859 /nfs/dbraw/zinc/03/68/59/573036859.db2.gz QLJYOGNJRUYDGO-VHSXEESVSA-N 1 3 198.310 0.713 10 0 ACAEHO C[NH2+][C@H](C1CCOCC1)C1CNC1 259316046 573037033 /nfs/dbraw/zinc/03/70/33/573037033.db2.gz JOIYMLVFJFGFRV-SNVBAGLBSA-N 1 3 184.283 0.220 10 0 ACAEHO CCC[C@@H](CCNC)[NH2+]C 259599357 573037560 /nfs/dbraw/zinc/03/75/60/573037560.db2.gz XAPKGZDLDGGIEH-QMMMGPOBSA-N 1 3 144.262 0.984 10 0 ACAEHO CCC[N@@H+]1C[C@@H]2CNC[C@H](C1)C2F 257927052 573037070 /nfs/dbraw/zinc/03/70/70/573037070.db2.gz SGAXUWPRZQYYTB-ULKQDVFKSA-N 1 3 186.274 0.886 10 0 ACAEHO CCC[N@H+]1C[C@@H]2CNC[C@H](C1)C2F 257927052 573037071 /nfs/dbraw/zinc/03/70/71/573037071.db2.gz SGAXUWPRZQYYTB-ULKQDVFKSA-N 1 3 186.274 0.886 10 0 ACAEHO C[C@@]1(O)CC[NH2+]C[C@H]1CN1CCCC1 257925638 573037099 /nfs/dbraw/zinc/03/70/99/573037099.db2.gz YVISEIDHAHJGCH-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](CCN)[NH+]1CCC(C)(O)CC1 88022474 573037120 /nfs/dbraw/zinc/03/71/20/573037120.db2.gz INUWRHQDUWRNTB-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CN)C[NH+]1CCC(C)(O)CC1 88022482 573037141 /nfs/dbraw/zinc/03/71/41/573037141.db2.gz XUYBKYPNLOLBEO-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC1(O)CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 88023308 573037226 /nfs/dbraw/zinc/03/72/26/573037226.db2.gz KPWNJFPRAZXLAX-VHSXEESVSA-N 1 3 198.310 0.713 10 0 ACAEHO CCCCC[N@@H+]1CCN[C@H](CNC)C1 259316240 573037353 /nfs/dbraw/zinc/03/73/53/573037353.db2.gz QQJWSSWUSXZOOY-LLVKDONJSA-N 1 3 199.342 0.670 10 0 ACAEHO CCCCC[N@H+]1CCN[C@H](CNC)C1 259316240 573037356 /nfs/dbraw/zinc/03/73/56/573037356.db2.gz QQJWSSWUSXZOOY-LLVKDONJSA-N 1 3 199.342 0.670 10 0 ACAEHO CO[C@@]1(C[NH3+])CCCN(C2CC2)C1 257925760 573037725 /nfs/dbraw/zinc/03/77/25/573037725.db2.gz SCUOMIKIEFQRPO-SNVBAGLBSA-N 1 3 184.283 0.589 10 0 ACAEHO CO[C@@]1(CN)CCC[N@@H+](C2CC2)C1 257925760 573037730 /nfs/dbraw/zinc/03/77/30/573037730.db2.gz SCUOMIKIEFQRPO-SNVBAGLBSA-N 1 3 184.283 0.589 10 0 ACAEHO CO[C@@]1(CN)CCC[N@H+](C2CC2)C1 257925760 573037738 /nfs/dbraw/zinc/03/77/38/573037738.db2.gz SCUOMIKIEFQRPO-SNVBAGLBSA-N 1 3 184.283 0.589 10 0 ACAEHO CC1(O)CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 88023311 573037968 /nfs/dbraw/zinc/03/79/68/573037968.db2.gz KPWNJFPRAZXLAX-ZJUUUORDSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCC(C)(O)CC1 88022607 573038039 /nfs/dbraw/zinc/03/80/39/573038039.db2.gz MVBIMCHOAMUCOA-QMMMGPOBSA-N 1 3 199.298 0.548 10 0 ACAEHO C[C@]1(O)CC[NH2+]C[C@H]1CN1CCCC1 257925637 573038141 /nfs/dbraw/zinc/03/81/41/573038141.db2.gz YVISEIDHAHJGCH-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@]1(O)CC[NH2+]C[C@@H]1CN1CCCC1 257925636 573038605 /nfs/dbraw/zinc/03/86/05/573038605.db2.gz YVISEIDHAHJGCH-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](NC[C@@H](O)C1CCC1)C1C[NH2+]C1 686252345 573038676 /nfs/dbraw/zinc/03/86/76/573038676.db2.gz UNHANYKRXDRPSD-GZMMTYOYSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+]C[C@@H](O)C1CCC1)C1CNC1 686252345 573038683 /nfs/dbraw/zinc/03/86/83/573038683.db2.gz UNHANYKRXDRPSD-GZMMTYOYSA-N 1 3 198.310 0.345 10 0 ACAEHO CC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 82431898 573038807 /nfs/dbraw/zinc/03/88/07/573038807.db2.gz JETWVHDLUFMNCP-NXEZZACHSA-N 1 3 197.282 0.436 10 0 ACAEHO CO[C@H](C)CN(C)[C@@H](C)[C@@H](C)C[NH3+] 308236861 573038831 /nfs/dbraw/zinc/03/88/31/573038831.db2.gz WKUVPACVRXKICW-AEJSXWLSSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@H+](C)[C@@H](C)[C@@H](C)CN 308236861 573038835 /nfs/dbraw/zinc/03/88/35/573038835.db2.gz WKUVPACVRXKICW-AEJSXWLSSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)CN 308236861 573038841 /nfs/dbraw/zinc/03/88/41/573038841.db2.gz WKUVPACVRXKICW-AEJSXWLSSA-N 1 3 188.315 0.936 10 0 ACAEHO CC1(O)CC[NH+]([C@H]2CCC[C@@H]2N)CC1 88022909 573038862 /nfs/dbraw/zinc/03/88/62/573038862.db2.gz QLJYOGNJRUYDGO-UWVGGRQHSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H]([NH3+])/C=C/[C@@H](N)CF 104585956 573038887 /nfs/dbraw/zinc/03/88/87/573038887.db2.gz LODPZCCHTOTZKQ-SRGUAZEISA-N 1 3 132.182 0.187 10 0 ACAEHO C[C@@H](CN1CCC(C)(O)CC1)C(N)=[NH2+] 88022609 573038945 /nfs/dbraw/zinc/03/89/45/573038945.db2.gz PGWAWDDZXHDWKJ-QMMMGPOBSA-N 1 3 199.298 0.405 10 0 ACAEHO C[C@H]1CN(CCCC[NH3+])[C@@H](C)CO1 223174289 573039186 /nfs/dbraw/zinc/03/91/86/573039186.db2.gz JNEOBNZTURYJEO-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](NC[C@H](O)C1CCC1)C1C[NH2+]C1 686252348 573039168 /nfs/dbraw/zinc/03/91/68/573039168.db2.gz UNHANYKRXDRPSD-KCJUWKMLSA-N 1 3 198.310 0.345 10 0 ACAEHO C[NH2+][C@@H](C1CCOCC1)C1CNC1 259316045 573039029 /nfs/dbraw/zinc/03/90/29/573039029.db2.gz JOIYMLVFJFGFRV-JTQLQIEISA-N 1 3 184.283 0.220 10 0 ACAEHO N[C@H](C[NH3+])[C@H]1CC=CCC1 104584453 573039067 /nfs/dbraw/zinc/03/90/67/573039067.db2.gz AGDVMJJUDKWHMP-JGVFFNPUSA-N 1 3 140.230 0.629 10 0 ACAEHO C[C@@H]([NH2+]C[C@H](O)C1CCC1)C1CNC1 686252348 573039173 /nfs/dbraw/zinc/03/91/73/573039173.db2.gz UNHANYKRXDRPSD-KCJUWKMLSA-N 1 3 198.310 0.345 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCC[C@H]1CCN 308237578 573039383 /nfs/dbraw/zinc/03/93/83/573039383.db2.gz WSNSGDPWQSXJSX-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCC[C@H]1CCN 308237578 573039390 /nfs/dbraw/zinc/03/93/90/573039390.db2.gz WSNSGDPWQSXJSX-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)OC(CN)C[NH3+] 104587416 573039410 /nfs/dbraw/zinc/03/94/10/573039410.db2.gz LBIKOBDCAAXMNP-UHFFFAOYSA-N 1 3 146.234 0.088 10 0 ACAEHO CC1(O)CCN(CCC[NH3+])CC1 88022500 573039633 /nfs/dbraw/zinc/03/96/33/573039633.db2.gz XYLHFQDPNHOGQR-UHFFFAOYSA-N 1 3 172.272 0.182 10 0 ACAEHO C[C@H](NC[C@H](O)C1CCC1)C1C[NH2+]C1 686252350 573039743 /nfs/dbraw/zinc/03/97/43/573039743.db2.gz UNHANYKRXDRPSD-KWQFWETISA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](N[C@H](C)CN(C)C)C1C[NH2+]C1 686252445 573039666 /nfs/dbraw/zinc/03/96/66/573039666.db2.gz VVWAAVHCJRBMSP-BDAKNGLRSA-N 1 3 185.315 0.134 10 0 ACAEHO C[C@H]([NH2+]C[C@H](O)C1CCC1)C1CNC1 686252350 573039750 /nfs/dbraw/zinc/03/97/50/573039750.db2.gz UNHANYKRXDRPSD-KWQFWETISA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH3+])/C=C/[C@H](N)CF 104585951 573039752 /nfs/dbraw/zinc/03/97/52/573039752.db2.gz LODPZCCHTOTZKQ-QQTLEDFYSA-N 1 3 132.182 0.187 10 0 ACAEHO CO[C@H](C)CN(C)[C@@H](C)[C@H](C)C[NH3+] 308236865 573039753 /nfs/dbraw/zinc/03/97/53/573039753.db2.gz WKUVPACVRXKICW-BBBLOLIVSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@H+](C)[C@@H](C)[C@H](C)CN 308236865 573039761 /nfs/dbraw/zinc/03/97/61/573039761.db2.gz WKUVPACVRXKICW-BBBLOLIVSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@@H+](C)[C@@H](C)[C@H](C)CN 308236865 573039764 /nfs/dbraw/zinc/03/97/64/573039764.db2.gz WKUVPACVRXKICW-BBBLOLIVSA-N 1 3 188.315 0.936 10 0 ACAEHO NC[C@]12CC[C@H](C1)[NH2+]C2 104587737 573039924 /nfs/dbraw/zinc/03/99/24/573039924.db2.gz RGMINRVOFHIEGB-RQJHMYQMSA-N 1 3 126.203 0.087 10 0 ACAEHO C[C@H]([NH3+])/C=C/[C@H](N)CF 104585947 573039890 /nfs/dbraw/zinc/03/98/90/573039890.db2.gz LODPZCCHTOTZKQ-KXQHVCLCSA-N 1 3 132.182 0.187 10 0 ACAEHO CC1(O)CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 88023310 573040082 /nfs/dbraw/zinc/04/00/82/573040082.db2.gz KPWNJFPRAZXLAX-NXEZZACHSA-N 1 3 198.310 0.713 10 0 ACAEHO CC1(O)CC[NH+]([C@H]2CCC[C@H]2N)CC1 88022911 573040302 /nfs/dbraw/zinc/04/03/02/573040302.db2.gz QLJYOGNJRUYDGO-ZJUUUORDSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C2CCNCC2)CCO1 235693704 573040437 /nfs/dbraw/zinc/04/04/37/573040437.db2.gz YXZDNAAHYWTNER-ONGXEEELSA-N 1 3 198.310 0.896 10 0 ACAEHO CC(C)[C@H]1CCNC[C@@H]1[NH3+] 104585735 573040450 /nfs/dbraw/zinc/04/04/50/573040450.db2.gz ZTBRRGRZCLQVHK-SFYZADRCSA-N 1 3 142.246 0.579 10 0 ACAEHO C[N@@H+]1CC[C@@H](c2oncc2CN)C1 257928106 573040614 /nfs/dbraw/zinc/04/06/14/573040614.db2.gz SNHMTQPNVKCVPV-SSDOTTSWSA-N 1 3 181.239 0.552 10 0 ACAEHO C[N@H+]1CC[C@@H](c2oncc2CN)C1 257928106 573040617 /nfs/dbraw/zinc/04/06/17/573040617.db2.gz SNHMTQPNVKCVPV-SSDOTTSWSA-N 1 3 181.239 0.552 10 0 ACAEHO CC1(O)CC[NH+]([C@@H]2CCC[C@H]2N)CC1 88022910 573040662 /nfs/dbraw/zinc/04/06/62/573040662.db2.gz QLJYOGNJRUYDGO-NXEZZACHSA-N 1 3 198.310 0.713 10 0 ACAEHO CCC[C@H](CCNC)[NH2+]C 259599355 573040807 /nfs/dbraw/zinc/04/08/07/573040807.db2.gz XAPKGZDLDGGIEH-MRVPVSSYSA-N 1 3 144.262 0.984 10 0 ACAEHO C[C@H](CN1CCC(C)(O)CC1)C(N)=[NH2+] 88022610 573040895 /nfs/dbraw/zinc/04/08/95/573040895.db2.gz PGWAWDDZXHDWKJ-MRVPVSSYSA-N 1 3 199.298 0.405 10 0 ACAEHO NC[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[NH3+] 104587092 573040925 /nfs/dbraw/zinc/04/09/25/573040925.db2.gz NWTDABDTHCUTCI-CWKFCGSDSA-N 1 3 138.214 0.095 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCC[C@H]1CCN 308237576 573041164 /nfs/dbraw/zinc/04/11/64/573041164.db2.gz WSNSGDPWQSXJSX-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCC[C@H]1CCN 308237576 573041171 /nfs/dbraw/zinc/04/11/71/573041171.db2.gz WSNSGDPWQSXJSX-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCC[C@@H]1CCN 308237575 573041187 /nfs/dbraw/zinc/04/11/87/573041187.db2.gz WSNSGDPWQSXJSX-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCC[C@@H]1CCN 308237575 573041195 /nfs/dbraw/zinc/04/11/95/573041195.db2.gz WSNSGDPWQSXJSX-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CN(C)C)N[C@@H](C)C1C[NH2+]C1 686252447 573041456 /nfs/dbraw/zinc/04/14/56/573041456.db2.gz VVWAAVHCJRBMSP-IUCAKERBSA-N 1 3 185.315 0.134 10 0 ACAEHO CO[C@H](C)CN(C)[C@H](C)[C@@H](C)C[NH3+] 308236869 573041483 /nfs/dbraw/zinc/04/14/83/573041483.db2.gz WKUVPACVRXKICW-IVZWLZJFSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@H+](C)[C@H](C)[C@@H](C)CN 308236869 573041487 /nfs/dbraw/zinc/04/14/87/573041487.db2.gz WKUVPACVRXKICW-IVZWLZJFSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@@H+](C)[C@H](C)[C@@H](C)CN 308236869 573041495 /nfs/dbraw/zinc/04/14/95/573041495.db2.gz WKUVPACVRXKICW-IVZWLZJFSA-N 1 3 188.315 0.936 10 0 ACAEHO C[C@@H](CN(C)C)N[C@H](C)C1C[NH2+]C1 686252446 573042531 /nfs/dbraw/zinc/04/25/31/573042531.db2.gz VVWAAVHCJRBMSP-DTWKUNHWSA-N 1 3 185.315 0.134 10 0 ACAEHO CO[C@H](C)CN(C)[C@H](C)[C@H](C)C[NH3+] 308236872 573042535 /nfs/dbraw/zinc/04/25/35/573042535.db2.gz WKUVPACVRXKICW-OPRDCNLKSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@H+](C)[C@H](C)[C@H](C)CN 308236872 573042543 /nfs/dbraw/zinc/04/25/43/573042543.db2.gz WKUVPACVRXKICW-OPRDCNLKSA-N 1 3 188.315 0.936 10 0 ACAEHO CO[C@H](C)C[N@@H+](C)[C@H](C)[C@H](C)CN 308236872 573042548 /nfs/dbraw/zinc/04/25/48/573042548.db2.gz WKUVPACVRXKICW-OPRDCNLKSA-N 1 3 188.315 0.936 10 0 ACAEHO CC[C@@H]([NH3+])[C@H]1CCCCN1 104589449 573043004 /nfs/dbraw/zinc/04/30/04/573043004.db2.gz BHOFKIGDDQFGIH-HTQZYQBOSA-N 1 3 142.246 0.866 10 0 ACAEHO CC(C)[C@H](C1CNC1)[NH+](C)C 259318462 573043142 /nfs/dbraw/zinc/04/31/42/573043142.db2.gz DOFDSXHHQCAADI-SECBINFHSA-N 1 3 156.273 0.792 10 0 ACAEHO CC(C)[C@H](C1C[NH2+]C1)N(C)C 259318462 573043145 /nfs/dbraw/zinc/04/31/45/573043145.db2.gz DOFDSXHHQCAADI-SECBINFHSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CCCF 88026426 573044657 /nfs/dbraw/zinc/04/46/57/573044657.db2.gz KMEVBBYUUXHHDZ-BBBLOLIVSA-N 1 3 186.274 0.886 10 0 ACAEHO CN(CCC(N)=[NH2+])C[C@@H]1CCOC1 49688773 573043313 /nfs/dbraw/zinc/04/33/13/573043313.db2.gz CNMORSKTHPYJIO-QMMMGPOBSA-N 1 3 185.271 0.281 10 0 ACAEHO CC[C@@H]([NH3+])/C=C/[C@@H](N)CF 104588398 573043606 /nfs/dbraw/zinc/04/36/06/573043606.db2.gz XLWANJSQQCEWCD-KYNVUQBWSA-N 1 3 146.209 0.577 10 0 ACAEHO C[C@H]1[C@@H](C)[N@H+](C)[C@H]1CN 104589870 573043637 /nfs/dbraw/zinc/04/36/37/573043637.db2.gz YJKQNRAHNWGZPN-XVMARJQXSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@H]1[C@@H](C)[N@@H+](C)[C@H]1CN 104589870 573043641 /nfs/dbraw/zinc/04/36/41/573043641.db2.gz YJKQNRAHNWGZPN-XVMARJQXSA-N 1 3 128.219 0.284 10 0 ACAEHO CC[C@@H]([NH3+])/C=C/[C@H](N)CF 104588390 573043707 /nfs/dbraw/zinc/04/37/07/573043707.db2.gz XLWANJSQQCEWCD-OHUBKANTSA-N 1 3 146.209 0.577 10 0 ACAEHO C[C@H]1[C@H](C)[N@H+](C)[C@@H]1CN 104589868 573044156 /nfs/dbraw/zinc/04/41/56/573044156.db2.gz YJKQNRAHNWGZPN-LYFYHCNISA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@H]1[C@H](C)[N@@H+](C)[C@@H]1CN 104589868 573044161 /nfs/dbraw/zinc/04/41/61/573044161.db2.gz YJKQNRAHNWGZPN-LYFYHCNISA-N 1 3 128.219 0.284 10 0 ACAEHO CC[C@H]([NH3+])/C=C/[C@@H](N)CF 104588393 573044241 /nfs/dbraw/zinc/04/42/41/573044241.db2.gz XLWANJSQQCEWCD-HKFDCFJWSA-N 1 3 146.209 0.577 10 0 ACAEHO CC(C)([NH3+])[C@H]1CCCCN1 104590491 573044684 /nfs/dbraw/zinc/04/46/84/573044684.db2.gz STRXIJXDSGUUSO-SSDOTTSWSA-N 1 3 142.246 0.866 10 0 ACAEHO CC[NH2+][C@H](CC)CCN 104590794 573044914 /nfs/dbraw/zinc/04/49/14/573044914.db2.gz HTRMGCGAVDWITC-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CC[C@H]([NH3+])[C@@H]1CCCCN1 104589437 573045070 /nfs/dbraw/zinc/04/50/70/573045070.db2.gz BHOFKIGDDQFGIH-YUMQZZPRSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@@]1(N)CCCC[C@@H]1[NH3+] 104588658 573045133 /nfs/dbraw/zinc/04/51/33/573045133.db2.gz JDYLPJOEIBBFGC-NKWVEPMBSA-N 1 3 128.219 0.605 10 0 ACAEHO CC[C@H]([NH3+])/C=C/[C@H](N)CF 104588388 573045262 /nfs/dbraw/zinc/04/52/62/573045262.db2.gz XLWANJSQQCEWCD-FWDZIHJBSA-N 1 3 146.209 0.577 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H]1CCCCN1 104589442 573045286 /nfs/dbraw/zinc/04/52/86/573045286.db2.gz BHOFKIGDDQFGIH-SFYZADRCSA-N 1 3 142.246 0.866 10 0 ACAEHO C=C=CCNC/C=C/C[NH3+] 104591721 573045462 /nfs/dbraw/zinc/04/54/62/573045462.db2.gz GVKYRHBIICNEAF-SNAWJCMRSA-N 1 3 138.214 0.432 10 0 ACAEHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)N(C)C 686252288 573045479 /nfs/dbraw/zinc/04/54/79/573045479.db2.gz SYZBRHXNMZISTJ-DTWKUNHWSA-N 1 3 185.315 0.134 10 0 ACAEHO C[C@@H](NC[C@@H](C)N(C)C)C1C[NH2+]C1 686252293 573045541 /nfs/dbraw/zinc/04/55/41/573045541.db2.gz SYZBRHXNMZISTJ-RKDXNWHRSA-N 1 3 185.315 0.134 10 0 ACAEHO CC(C)([NH3+])[C@@H]1CCCCN1 104590487 573045784 /nfs/dbraw/zinc/04/57/84/573045784.db2.gz STRXIJXDSGUUSO-ZETCQYMHSA-N 1 3 142.246 0.866 10 0 ACAEHO NC[C@@]1(F)CC[N@@H+]2CCC[C@@H]2C1 257935925 573045817 /nfs/dbraw/zinc/04/58/17/573045817.db2.gz UFXMWASZMLXRSM-RKDXNWHRSA-N 1 3 172.247 0.912 10 0 ACAEHO NC[C@@]1(F)CC[N@H+]2CCC[C@@H]2C1 257935925 573045823 /nfs/dbraw/zinc/04/58/23/573045823.db2.gz UFXMWASZMLXRSM-RKDXNWHRSA-N 1 3 172.247 0.912 10 0 ACAEHO C[C@H](NC[C@@H](C)N(C)C)C1C[NH2+]C1 686252286 573046183 /nfs/dbraw/zinc/04/61/83/573046183.db2.gz SYZBRHXNMZISTJ-BDAKNGLRSA-N 1 3 185.315 0.134 10 0 ACAEHO NCCC[NH2+]CCCF 88024841 573046258 /nfs/dbraw/zinc/04/62/58/573046258.db2.gz LUZDKYCTDZUGJU-UHFFFAOYSA-N 1 3 134.198 0.284 10 0 ACAEHO [NH3+]CCCNCCCF 88024841 573046264 /nfs/dbraw/zinc/04/62/64/573046264.db2.gz LUZDKYCTDZUGJU-UHFFFAOYSA-N 1 3 134.198 0.284 10 0 ACAEHO CC(=O)C[C@@]1([NH3+])CCCNC1 257932774 573046969 /nfs/dbraw/zinc/04/69/69/573046969.db2.gz ACPHJIYORZBNTA-QMMMGPOBSA-N 1 3 156.229 0.046 10 0 ACAEHO CN(C[C@H](O)CC[NH3+])c1ccncc1 259318031 573047106 /nfs/dbraw/zinc/04/71/06/573047106.db2.gz VYWYHWSLPIZCGX-SNVBAGLBSA-N 1 3 195.266 0.228 10 0 ACAEHO [NH3+]CCCNc1ncc[nH]1 104589433 573047145 /nfs/dbraw/zinc/04/71/45/573047145.db2.gz GNJWAKULHODEQG-UHFFFAOYSA-N 1 3 140.190 0.170 10 0 ACAEHO CC[C@H]([NH3+])[C@H]1CCCCN1 104589444 573047355 /nfs/dbraw/zinc/04/73/55/573047355.db2.gz BHOFKIGDDQFGIH-JGVFFNPUSA-N 1 3 142.246 0.866 10 0 ACAEHO C/C(=C\[C@@H](N)CF)C[NH3+] 104588308 573047981 /nfs/dbraw/zinc/04/79/81/573047981.db2.gz AVACCZVDPJOLMO-AOPYWJJESA-N 1 3 132.182 0.188 10 0 ACAEHO NC[C@]1(F)CC[N@@H+]2CCC[C@H]2C1 257935924 573047988 /nfs/dbraw/zinc/04/79/88/573047988.db2.gz UFXMWASZMLXRSM-IUCAKERBSA-N 1 3 172.247 0.912 10 0 ACAEHO NC[C@]1(F)CC[N@H+]2CCC[C@H]2C1 257935924 573047992 /nfs/dbraw/zinc/04/79/92/573047992.db2.gz UFXMWASZMLXRSM-IUCAKERBSA-N 1 3 172.247 0.912 10 0 ACAEHO CC(C)[C@@H](C1CNC1)[NH+](C)C 259318464 573048071 /nfs/dbraw/zinc/04/80/71/573048071.db2.gz DOFDSXHHQCAADI-VIFPVBQESA-N 1 3 156.273 0.792 10 0 ACAEHO CC(C)[C@@H](C1C[NH2+]C1)N(C)C 259318464 573048075 /nfs/dbraw/zinc/04/80/75/573048075.db2.gz DOFDSXHHQCAADI-VIFPVBQESA-N 1 3 156.273 0.792 10 0 ACAEHO C/C(=C\[C@H](N)CF)C[NH3+] 104588305 573048142 /nfs/dbraw/zinc/04/81/42/573048142.db2.gz AVACCZVDPJOLMO-NWKRWUBRSA-N 1 3 132.182 0.188 10 0 ACAEHO NC[C@@]1(F)CC[N@@H+]2CCC[C@H]2C1 257935923 573048168 /nfs/dbraw/zinc/04/81/68/573048168.db2.gz UFXMWASZMLXRSM-DTWKUNHWSA-N 1 3 172.247 0.912 10 0 ACAEHO NC[C@@]1(F)CC[N@H+]2CCC[C@H]2C1 257935923 573048172 /nfs/dbraw/zinc/04/81/72/573048172.db2.gz UFXMWASZMLXRSM-DTWKUNHWSA-N 1 3 172.247 0.912 10 0 ACAEHO CC[NH2+][C@@H](CC)CCN 104590792 573048260 /nfs/dbraw/zinc/04/82/60/573048260.db2.gz HTRMGCGAVDWITC-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO C[C@H]1[C@H](C)[N@H+](C)[C@H]1CN 104589875 573048326 /nfs/dbraw/zinc/04/83/26/573048326.db2.gz YJKQNRAHNWGZPN-ACZMJKKPSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@H]1[C@H](C)[N@@H+](C)[C@H]1CN 104589875 573048328 /nfs/dbraw/zinc/04/83/28/573048328.db2.gz YJKQNRAHNWGZPN-ACZMJKKPSA-N 1 3 128.219 0.284 10 0 ACAEHO CC(=O)C[C@]1([NH3+])CCCNC1 257932772 573048605 /nfs/dbraw/zinc/04/86/05/573048605.db2.gz ACPHJIYORZBNTA-MRVPVSSYSA-N 1 3 156.229 0.046 10 0 ACAEHO NC[C@]1(F)CC[N@@H+]2CCC[C@@H]2C1 257935922 573049120 /nfs/dbraw/zinc/04/91/20/573049120.db2.gz UFXMWASZMLXRSM-BDAKNGLRSA-N 1 3 172.247 0.912 10 0 ACAEHO NC[C@]1(F)CC[N@H+]2CCC[C@@H]2C1 257935922 573049123 /nfs/dbraw/zinc/04/91/23/573049123.db2.gz UFXMWASZMLXRSM-BDAKNGLRSA-N 1 3 172.247 0.912 10 0 ACAEHO C[C@H](NC[C@H](C)N(C)C)C1C[NH2+]C1 686252289 573049240 /nfs/dbraw/zinc/04/92/40/573049240.db2.gz SYZBRHXNMZISTJ-IUCAKERBSA-N 1 3 185.315 0.134 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCO1 49694037 573049476 /nfs/dbraw/zinc/04/94/76/573049476.db2.gz PAPYEQNUVMIJGT-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCO1 49694029 573049495 /nfs/dbraw/zinc/04/94/95/573049495.db2.gz PAPYEQNUVMIJGT-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@](C)(CN)C[NH2+]CCOC 128496722 573050783 /nfs/dbraw/zinc/05/07/83/573050783.db2.gz MSRLPFLBDGDAES-SECBINFHSA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@](C)(C[NH3+])CNCCOC 128496722 573050793 /nfs/dbraw/zinc/05/07/93/573050793.db2.gz MSRLPFLBDGDAES-SECBINFHSA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@@](C)(CN)C[NH2+]CCOC 128496523 573051949 /nfs/dbraw/zinc/05/19/49/573051949.db2.gz MSRLPFLBDGDAES-VIFPVBQESA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@@](C)(C[NH3+])CNCCOC 128496523 573051957 /nfs/dbraw/zinc/05/19/57/573051957.db2.gz MSRLPFLBDGDAES-VIFPVBQESA-N 1 3 174.288 0.597 10 0 ACAEHO CC[C@H](C[N@@H+]1CCCNCC1)OC 308248958 573052327 /nfs/dbraw/zinc/05/23/27/573052327.db2.gz APVBOIZEKWNLRU-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC[C@H](C[N@H+]1CCCNCC1)OC 308248958 573052333 /nfs/dbraw/zinc/05/23/33/573052333.db2.gz APVBOIZEKWNLRU-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H]1C[C@@H]1NCC1([NH3+])CCC1 88052102 573058914 /nfs/dbraw/zinc/05/89/14/573058914.db2.gz FZVVHCHVEDUBJE-SFYZADRCSA-N 1 3 154.257 0.866 10 0 ACAEHO CN1CC[C@H](C(=O)C2CC([NH3+])C2)C1 259319892 573052359 /nfs/dbraw/zinc/05/23/59/573052359.db2.gz XSODDPVSMWTJRP-UEJVZZJDSA-N 1 3 182.267 0.245 10 0 ACAEHO CC[N@@H+](C)CC1(N)CCC1 88051700 573059067 /nfs/dbraw/zinc/05/90/67/573059067.db2.gz RONLXILINXZEKF-UHFFFAOYSA-N 1 3 142.246 0.820 10 0 ACAEHO CO[C@H](C[NH3+])CN[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 717082012 573052717 /nfs/dbraw/zinc/05/27/17/573052717.db2.gz VYHUWIOMVGXEKZ-KAMPLNKDSA-N 1 3 198.310 0.594 10 0 ACAEHO C1CC[NH2+]CCCNC1 104596376 573052818 /nfs/dbraw/zinc/05/28/18/573052818.db2.gz GQHLRKZHTIDGFF-UHFFFAOYSA-N 1 3 128.219 0.350 10 0 ACAEHO CCN(CC)CC[S@@](=O)CC[NH3+] 88062397 573053527 /nfs/dbraw/zinc/05/35/27/573053527.db2.gz UYSSCTLDPFCXMK-GFCCVEGCSA-N 1 3 192.328 0.036 10 0 ACAEHO CCN1CCCC[C@@H]1N1CC[NH2+]CC1 257932967 573053531 /nfs/dbraw/zinc/05/35/31/573053531.db2.gz BEMALAVGMVAMTI-NSHDSACASA-N 1 3 197.326 0.724 10 0 ACAEHO COC1CC[NH+](CC2(N)CCC2)CC1 88051744 573053771 /nfs/dbraw/zinc/05/37/71/573053771.db2.gz PNTHUZIHRIUOGI-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@](C)(N)[C@H](C)[NH3+] 104592764 573054338 /nfs/dbraw/zinc/05/43/38/573054338.db2.gz DXTFUNBMRBRDAN-NTSWFWBYSA-N 1 3 116.208 0.461 10 0 ACAEHO CO[C@H](C[NH3+])CN[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 717082018 573054616 /nfs/dbraw/zinc/05/46/16/573054616.db2.gz VYHUWIOMVGXEKZ-OGBGREFGSA-N 1 3 198.310 0.594 10 0 ACAEHO FC1(CNC2CC2)CC[NH2+]CC1 257937297 573055175 /nfs/dbraw/zinc/05/51/75/573055175.db2.gz UMGAWCQMUKWLKL-UHFFFAOYSA-N 1 3 172.247 0.830 10 0 ACAEHO C[C@H]1C[C@H]1NCC1([NH3+])CCC1 88052105 573055176 /nfs/dbraw/zinc/05/51/76/573055176.db2.gz FZVVHCHVEDUBJE-JGVFFNPUSA-N 1 3 154.257 0.866 10 0 ACAEHO NCC(C[NH3+])c1ccoc1 104600634 573055266 /nfs/dbraw/zinc/05/52/66/573055266.db2.gz QXPMLOKMZPTPKN-UHFFFAOYSA-N 1 3 140.186 0.281 10 0 ACAEHO C[C@H]1CN(C)CCN1C[C@H](C)C[NH3+] 235454914 573055619 /nfs/dbraw/zinc/05/56/19/573055619.db2.gz KNAAATXBIJIMIZ-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO CN(C)C/C=C\C[NH3+] 104600800 573055829 /nfs/dbraw/zinc/05/58/29/573055829.db2.gz HFDUQFHISFSFBW-ARJAWSKDSA-N 1 3 114.192 0.063 10 0 ACAEHO CN1CCCN(CC2([NH3+])CCC2)CC1 88051690 573055878 /nfs/dbraw/zinc/05/58/78/573055878.db2.gz FTPVTTHMQSACNH-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO NCCC[NH2+]CCCN=O 104600703 573055983 /nfs/dbraw/zinc/05/59/83/573055983.db2.gz UXXIQTUFQCWPIW-UHFFFAOYSA-N 1 3 145.206 0.081 10 0 ACAEHO COC1CN(C[C@@H](C)C2C[NH2+]C2)C1 308239276 573056169 /nfs/dbraw/zinc/05/61/69/573056169.db2.gz XKCDPIGJBJTXCO-MRVPVSSYSA-N 1 3 184.283 0.173 10 0 ACAEHO CN1CC[C@@H](C(=O)C2CC([NH3+])C2)C1 259319890 573056259 /nfs/dbraw/zinc/05/62/59/573056259.db2.gz XSODDPVSMWTJRP-AFPNSQJFSA-N 1 3 182.267 0.245 10 0 ACAEHO C[C@@H](O)C(C)(C)NCCC(C)(C)[NH3+] 308241547 573056364 /nfs/dbraw/zinc/05/63/64/573056364.db2.gz YTAYUZWDPIALJY-MRVPVSSYSA-N 1 3 188.315 0.863 10 0 ACAEHO C[C@H]1C[C@@H]1NCC1([NH3+])CCC1 88052103 573056513 /nfs/dbraw/zinc/05/65/13/573056513.db2.gz FZVVHCHVEDUBJE-YUMQZZPRSA-N 1 3 154.257 0.866 10 0 ACAEHO COCCC[N@H+](C)CC1(N)CCC1 88052139 573056566 /nfs/dbraw/zinc/05/65/66/573056566.db2.gz KCUAYZFSHMAHML-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO COCCC[N@@H+](C)CC1(N)CCC1 88052139 573056567 /nfs/dbraw/zinc/05/65/67/573056567.db2.gz KCUAYZFSHMAHML-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO C/C(=C\[C@H](N)CF)[C@@H](C)[NH3+] 104601639 573056614 /nfs/dbraw/zinc/05/66/14/573056614.db2.gz MEVPIRRZDMGTMM-IVABCBNFSA-N 1 3 146.209 0.577 10 0 ACAEHO C/C(=C\C[NH3+])[C@H](N)CF 104601668 573056656 /nfs/dbraw/zinc/05/66/56/573056656.db2.gz NSFILQBRXPDXJG-AOPYWJJESA-N 1 3 132.182 0.188 10 0 ACAEHO C/C(=C\C[NH3+])[C@@H](N)CF 104601672 573056852 /nfs/dbraw/zinc/05/68/52/573056852.db2.gz NSFILQBRXPDXJG-NWKRWUBRSA-N 1 3 132.182 0.188 10 0 ACAEHO C[N@H+](CC1(N)CCC1)C1CC1 88051704 573057165 /nfs/dbraw/zinc/05/71/65/573057165.db2.gz XCOVUHZKVQYWKW-UHFFFAOYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[N@@H+](CC1(N)CCC1)C1CC1 88051704 573057169 /nfs/dbraw/zinc/05/71/69/573057169.db2.gz XCOVUHZKVQYWKW-UHFFFAOYSA-N 1 3 154.257 0.962 10 0 ACAEHO CO[C@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)C1 686252579 573057182 /nfs/dbraw/zinc/05/71/82/573057182.db2.gz ZORPRXZFGICIKK-SZEHBUNVSA-N 1 3 184.283 0.361 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+][C@H](C)C2CNC2)C1 686252579 573057190 /nfs/dbraw/zinc/05/71/90/573057190.db2.gz ZORPRXZFGICIKK-SZEHBUNVSA-N 1 3 184.283 0.361 10 0 ACAEHO C/C(=C\[C@@H](N)CF)[C@H](C)[NH3+] 104601645 573057324 /nfs/dbraw/zinc/05/73/24/573057324.db2.gz MEVPIRRZDMGTMM-FXWAVASWSA-N 1 3 146.209 0.577 10 0 ACAEHO COC(=O)CCNCCC(C)(C)[NH3+] 308240308 573057415 /nfs/dbraw/zinc/05/74/15/573057415.db2.gz YBFRVOFMNXEWME-UHFFFAOYSA-N 1 3 188.271 0.267 10 0 ACAEHO C[C@H]1C[N@H+](CC2(N)CCC2)CCCO1 88052134 573057387 /nfs/dbraw/zinc/05/73/87/573057387.db2.gz ANZIMDCILCOENH-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H]1C[N@@H+](CC2(N)CCC2)CCCO1 88052134 573057389 /nfs/dbraw/zinc/05/73/89/573057389.db2.gz ANZIMDCILCOENH-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1C[C@H]1NCC1([NH3+])CCC1 88052104 573057497 /nfs/dbraw/zinc/05/74/97/573057497.db2.gz FZVVHCHVEDUBJE-HTQZYQBOSA-N 1 3 154.257 0.866 10 0 ACAEHO CC[C@@H]1CCN(C)[C@@H]1C[NH3+] 238263244 573058545 /nfs/dbraw/zinc/05/85/45/573058545.db2.gz OWSSTFBQSMRQJG-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1C[N@H+](CC2(N)CCC2)CCCO1 88052133 573058803 /nfs/dbraw/zinc/05/88/03/573058803.db2.gz ANZIMDCILCOENH-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1C[N@@H+](CC2(N)CCC2)CCCO1 88052133 573058810 /nfs/dbraw/zinc/05/88/10/573058810.db2.gz ANZIMDCILCOENH-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H](O)C(C)(C)NCCC(C)(C)[NH3+] 308241551 573058846 /nfs/dbraw/zinc/05/88/46/573058846.db2.gz YTAYUZWDPIALJY-QMMMGPOBSA-N 1 3 188.315 0.863 10 0 ACAEHO C[C@H](CC[NH3+])N1CCN(C)C(C)(C)C1 82477478 573058963 /nfs/dbraw/zinc/05/89/63/573058963.db2.gz ZWENNGVZGQDNLS-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](C)CC1(N)CCC1 88051700 573059063 /nfs/dbraw/zinc/05/90/63/573059063.db2.gz RONLXILINXZEKF-UHFFFAOYSA-N 1 3 142.246 0.820 10 0 ACAEHO c1cc(CNCC2CC[NH2+]CC2)no1 88052710 573059210 /nfs/dbraw/zinc/05/92/10/573059210.db2.gz JQSXOKHAEJUSLY-UHFFFAOYSA-N 1 3 195.266 0.764 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCN(C)[C@H](C)C1 82477441 573059289 /nfs/dbraw/zinc/05/92/89/573059289.db2.gz OELLAAKYLAOVTE-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CCN(C)C(C)(C)C1 82478044 573059630 /nfs/dbraw/zinc/05/96/30/573059630.db2.gz JRUAUQDMXBOOGY-UWVGGRQHSA-N 1 3 199.342 0.748 10 0 ACAEHO C/C(=C\[C@H](N)CF)[C@H](C)[NH3+] 104601636 573059688 /nfs/dbraw/zinc/05/96/88/573059688.db2.gz MEVPIRRZDMGTMM-LFROJCBFSA-N 1 3 146.209 0.577 10 0 ACAEHO CN1CCN([C@@H]2CC[NH2+]C2)CC1(C)C 82483739 573060039 /nfs/dbraw/zinc/06/00/39/573060039.db2.gz GXPWWNJCDSCUER-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CN(C2CC[NH2+]CC2)CCN1C 82478214 573060092 /nfs/dbraw/zinc/06/00/92/573060092.db2.gz XNPDABLSLJPFQS-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+]CCN1CCN(C)C(C)(C)C1 82478022 573060259 /nfs/dbraw/zinc/06/02/59/573060259.db2.gz WUMWLSOPWVKBIS-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCN(C)C(C)(C)C1 82478020 573062143 /nfs/dbraw/zinc/06/21/43/573062143.db2.gz RJHOWMSSBIJCMK-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H]([C@@H](C)[NH3+])N1CCN(C)C(C)(C)C1 82478045 573062428 /nfs/dbraw/zinc/06/24/28/573062428.db2.gz JRUAUQDMXBOOGY-ZJUUUORDSA-N 1 3 199.342 0.748 10 0 ACAEHO CNCc1cnc([C@@H]2CCC[NH2+]2)o1 257940243 573062506 /nfs/dbraw/zinc/06/25/06/573062506.db2.gz FHGQPSMTDOOPSP-QMMMGPOBSA-N 1 3 181.239 0.819 10 0 ACAEHO C[C@H]1CN(CC[C@@H](C)[NH3+])CCN1C 82477806 573062666 /nfs/dbraw/zinc/06/26/66/573062666.db2.gz GSXAIHIFHPFAJM-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[NH2+]CCCN1CCN(C)[C@H](C)C1 82477825 573062849 /nfs/dbraw/zinc/06/28/49/573062849.db2.gz LACAWVZBKUJTAS-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@@H]1CN([C@@H](C)[C@@H](C)[NH3+])CCN1C 82477973 573062890 /nfs/dbraw/zinc/06/28/90/573062890.db2.gz PULFGSXCMZZXKQ-OUAUKWLOSA-N 1 3 199.342 0.748 10 0 ACAEHO CC[C@@H]1CN([C@@H]2CC[NH2+]C2)CCN1C 82483725 573063677 /nfs/dbraw/zinc/06/36/77/573063677.db2.gz WKLKFSVXDDQYLF-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@H]1CN([C@@H]2CC[NH2+]C2)CCN1C 82483726 573064000 /nfs/dbraw/zinc/06/40/00/573064000.db2.gz WKLKFSVXDDQYLF-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCN(C)C(C)(C)C1 82478030 573063745 /nfs/dbraw/zinc/06/37/45/573063745.db2.gz VYVQVHJRAMEGGM-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN(C(C)(C)C[NH3+])C[C@@H]1C 82477619 573063967 /nfs/dbraw/zinc/06/39/67/573063967.db2.gz DCEKYAGGTMPBLK-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])CCN1CCN(C)C(C)(C)C1 82478029 573064040 /nfs/dbraw/zinc/06/40/40/573064040.db2.gz VYVQVHJRAMEGGM-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN([C@@H]2CC[NH2+]C2)C[C@@H]1C 82483712 573064144 /nfs/dbraw/zinc/06/41/44/573064144.db2.gz MNTICIRUWOIUAG-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@@H]1CN(C(C)(C)C[NH3+])CCN1C 82477689 573064401 /nfs/dbraw/zinc/06/44/01/573064401.db2.gz QHOLMHZWABFBBD-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CCNCC2)CCO1 235451697 573064413 /nfs/dbraw/zinc/06/44/13/573064413.db2.gz YXZDNAAHYWTNER-MWLCHTKSSA-N 1 3 198.310 0.896 10 0 ACAEHO C[NH2+][C@H](C)CN1CCN(C)C(C)(C)C1 82478021 573064425 /nfs/dbraw/zinc/06/44/25/573064425.db2.gz RJHOWMSSBIJCMK-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCN1C 82478221 573064736 /nfs/dbraw/zinc/06/47/36/573064736.db2.gz CGYSBPWZQYALCL-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCN(C)[C@@H](C)C1 82477458 573064764 /nfs/dbraw/zinc/06/47/64/573064764.db2.gz MTMPQDXMIUTERW-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1CN([C@@H](C)CC[NH3+])CCN1C 82477442 573064821 /nfs/dbraw/zinc/06/48/21/573064821.db2.gz OELLAAKYLAOVTE-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1CCN(C)C(C)(C)C1 82478042 573064836 /nfs/dbraw/zinc/06/48/36/573064836.db2.gz JRUAUQDMXBOOGY-VHSXEESVSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCN(C)C(C)(C)C1 82477477 573064960 /nfs/dbraw/zinc/06/49/60/573064960.db2.gz ZWENNGVZGQDNLS-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](C[NH3+])CN1CCN(C)C(C)(C)C1 82477490 573065053 /nfs/dbraw/zinc/06/50/53/573065053.db2.gz XBHAZEVVNSJJLX-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO CNC/C(Cl)=C\C[NH2+]C 104605352 573065105 /nfs/dbraw/zinc/06/51/05/573065105.db2.gz BJMJVYCJERAGDN-ZZXKWVIFSA-N 1 3 148.637 0.548 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCN(C)[C@H](C)C1 82477457 573065166 /nfs/dbraw/zinc/06/51/66/573065166.db2.gz MTMPQDXMIUTERW-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 88077680 573065531 /nfs/dbraw/zinc/06/55/31/573065531.db2.gz MHMMLWPXQYRLMN-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 88077680 573065534 /nfs/dbraw/zinc/06/55/34/573065534.db2.gz MHMMLWPXQYRLMN-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 82477484 573065560 /nfs/dbraw/zinc/06/55/60/573065560.db2.gz WUUZCVZKCGTWMD-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCN(C)C(C)(C)C1 82477489 573065601 /nfs/dbraw/zinc/06/56/01/573065601.db2.gz XBHAZEVVNSJJLX-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1CN(C(C)(C)C[NH3+])CCN1C 82477553 573065732 /nfs/dbraw/zinc/06/57/32/573065732.db2.gz MZDWMYOPICDELI-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)N1CCN(C)C(C)(C)C1 82478043 573065784 /nfs/dbraw/zinc/06/57/84/573065784.db2.gz JRUAUQDMXBOOGY-NXEZZACHSA-N 1 3 199.342 0.748 10 0 ACAEHO CN1CCN(C(C)(C)C[NH3+])CC1(C)C 82477725 573065824 /nfs/dbraw/zinc/06/58/24/573065824.db2.gz VRXDLHMGSLZBDS-UHFFFAOYSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]1CN(C[C@@H](C)[NH3+])CCN1C 82477942 573065844 /nfs/dbraw/zinc/06/58/44/573065844.db2.gz RWFMLPZSEVYFGU-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@H](C[NH3+])N1CCN(C)C(C)(C)C1 82477486 573066065 /nfs/dbraw/zinc/06/60/65/573066065.db2.gz IDKGWLZNIHTJOH-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H](C[C@H]1CNCCO1)[NH+](C)C 259321723 573066338 /nfs/dbraw/zinc/06/63/38/573066338.db2.gz DQMSGRHTMOGLQX-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[C@H]1CN(C(C)(C)C[NH3+])CCN1C 82477690 573066363 /nfs/dbraw/zinc/06/63/63/573066363.db2.gz QHOLMHZWABFBBD-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO Cn1ccnc1NCC[C@H]1CC[NH2+]C1 82487592 573067645 /nfs/dbraw/zinc/06/76/45/573067645.db2.gz VZWBUAHRAVKRBQ-SECBINFHSA-N 1 3 194.282 0.832 10 0 ACAEHO CC[C@@H]1CN(CC(C)(C)[NH3+])CCN1C 82485424 573067666 /nfs/dbraw/zinc/06/76/66/573067666.db2.gz ONBCLDDVRVRPEI-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CCN(CCC(N)=[NH2+])CC1(C)C 82483856 573068054 /nfs/dbraw/zinc/06/80/54/573068054.db2.gz OACPDFULDVIXDU-UHFFFAOYSA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)C(N)=[NH2+])CCN1C 82483816 573068506 /nfs/dbraw/zinc/06/85/06/573068506.db2.gz FALIFYMHIRMHKB-BDAKNGLRSA-N 1 3 198.314 0.194 10 0 ACAEHO CC[C@H]1CN([C@@H](C)C(N)=[NH2+])CCN1C 82483849 573068594 /nfs/dbraw/zinc/06/85/94/573068594.db2.gz OASJIVFVFOLFCD-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO COCC[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 308495314 573068753 /nfs/dbraw/zinc/06/87/53/573068753.db2.gz BTXKOIJGMIPUIE-MNOVXSKESA-N 1 3 198.310 0.694 10 0 ACAEHO COCC[N@H+]1C[C@H]2CCC[C@]2(CN)C1 308495314 573068760 /nfs/dbraw/zinc/06/87/60/573068760.db2.gz BTXKOIJGMIPUIE-MNOVXSKESA-N 1 3 198.310 0.694 10 0 ACAEHO COCCN1C[C@H]2CCC[C@]2(C[NH3+])C1 308495314 573068769 /nfs/dbraw/zinc/06/87/69/573068769.db2.gz BTXKOIJGMIPUIE-MNOVXSKESA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@H](C(N)=[NH2+])N1CCN(C)C(C)(C)C1 82483864 573068806 /nfs/dbraw/zinc/06/88/06/573068806.db2.gz PIGCLEFQHKRIQC-MRVPVSSYSA-N 1 3 198.314 0.337 10 0 ACAEHO CC[C@@H]1CN([C@@H](C)C(N)=[NH2+])CCN1C 82483848 573069329 /nfs/dbraw/zinc/06/93/29/573069329.db2.gz OASJIVFVFOLFCD-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO CC[C@H]1CN(CC(C)(C)[NH3+])CCN1C 82485425 573069352 /nfs/dbraw/zinc/06/93/52/573069352.db2.gz ONBCLDDVRVRPEI-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H](C[C@H]1CNCCO1)[NH+](C)C 259321718 573069376 /nfs/dbraw/zinc/06/93/76/573069376.db2.gz DQMSGRHTMOGLQX-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[C@@H](C[C@@H]1CNCCO1)[NH+](C)C 259321720 573069520 /nfs/dbraw/zinc/06/95/20/573069520.db2.gz DQMSGRHTMOGLQX-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO [NH3+]Cc1cnoc1[C@@H]1CCCCN1 259321891 573070392 /nfs/dbraw/zinc/07/03/92/573070392.db2.gz RXHCSTFBDOZTFZ-QMMMGPOBSA-N 1 3 181.239 0.948 10 0 ACAEHO CC(C)[C@H](CCO)N1CC[C@H]([NH3+])C1 215046552 573070405 /nfs/dbraw/zinc/07/04/05/573070405.db2.gz XWIIUJCKUNEJIF-UWVGGRQHSA-N 1 3 186.299 0.426 10 0 ACAEHO [NH3+]C1CCN([C@@H](CCO)C2CC2)CC1 215047275 573070443 /nfs/dbraw/zinc/07/04/43/573070443.db2.gz LBNGXLJHBBNOPP-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO NC1CC[NH+]([C@@H](CCO)C2CC2)CC1 215047275 573070451 /nfs/dbraw/zinc/07/04/51/573070451.db2.gz LBNGXLJHBBNOPP-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO CC(C)N1CC[C@H]([NH3+])[C@H](CO)C1 215048420 573070847 /nfs/dbraw/zinc/07/08/47/573070847.db2.gz XXLCBRUYWGIKSI-IUCAKERBSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H](N)[C@H](CO)C1 215048420 573070857 /nfs/dbraw/zinc/07/08/57/573070857.db2.gz XXLCBRUYWGIKSI-IUCAKERBSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@H+]1CC[C@H](N)[C@H](CO)C1 215048420 573070862 /nfs/dbraw/zinc/07/08/62/573070862.db2.gz XXLCBRUYWGIKSI-IUCAKERBSA-N 1 3 172.272 0.036 10 0 ACAEHO CCN1CCN([C@@H](C)C(N)=[NH2+])C[C@@H]1C 82483832 573071123 /nfs/dbraw/zinc/07/11/23/573071123.db2.gz PXRAJGWJCFQLNX-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO CC(C)N1CC[C@@H]([NH3+])[C@H](CO)C1 215048471 573071330 /nfs/dbraw/zinc/07/13/30/573071330.db2.gz XXLCBRUYWGIKSI-DTWKUNHWSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H](N)[C@H](CO)C1 215048471 573071337 /nfs/dbraw/zinc/07/13/37/573071337.db2.gz XXLCBRUYWGIKSI-DTWKUNHWSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H](N)[C@H](CO)C1 215048471 573071345 /nfs/dbraw/zinc/07/13/45/573071345.db2.gz XXLCBRUYWGIKSI-DTWKUNHWSA-N 1 3 172.272 0.036 10 0 ACAEHO CC[C@H](C[C@@H]1CNCCO1)[NH+](C)C 259321715 573071354 /nfs/dbraw/zinc/07/13/54/573071354.db2.gz DQMSGRHTMOGLQX-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO [NH3+]C1CCN([C@H](CCO)C2CC2)CC1 215047232 573071445 /nfs/dbraw/zinc/07/14/45/573071445.db2.gz LBNGXLJHBBNOPP-LLVKDONJSA-N 1 3 198.310 0.571 10 0 ACAEHO NC1CC[NH+]([C@H](CCO)C2CC2)CC1 215047232 573071450 /nfs/dbraw/zinc/07/14/50/573071450.db2.gz LBNGXLJHBBNOPP-LLVKDONJSA-N 1 3 198.310 0.571 10 0 ACAEHO Cn1ccnc1NCC[C@@H]1CC[NH2+]C1 82487590 573071539 /nfs/dbraw/zinc/07/15/39/573071539.db2.gz VZWBUAHRAVKRBQ-VIFPVBQESA-N 1 3 194.282 0.832 10 0 ACAEHO C[C@H]1CN([C@@H](C)CC(N)=[NH2+])CCN1C 82483818 573072587 /nfs/dbraw/zinc/07/25/87/573072587.db2.gz MVYRGQGLGUORRC-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO C[NH2+][C@@H]1C[C@@H](C)NC[C@H]1C 104612005 573072855 /nfs/dbraw/zinc/07/28/55/573072855.db2.gz PKCGDPAOIJYWOT-BWZBUEFSSA-N 1 3 142.246 0.592 10 0 ACAEHO C[C@H]1CN(CC(C)(C)C[NH3+])CCN1C 82484917 573072885 /nfs/dbraw/zinc/07/28/85/573072885.db2.gz FZLCQFMAOSTVIS-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO C[NH2+]CC[C@H](N)CC(C)C 259322921 573073144 /nfs/dbraw/zinc/07/31/44/573073144.db2.gz KYBKSWQJNQJDOL-QMMMGPOBSA-N 1 3 144.262 0.969 10 0 ACAEHO CNCC[C@H]([NH3+])CC(C)C 259322921 573073152 /nfs/dbraw/zinc/07/31/52/573073152.db2.gz KYBKSWQJNQJDOL-QMMMGPOBSA-N 1 3 144.262 0.969 10 0 ACAEHO CC(=O)CCN1C[C@@H](C)[C@](C)(C[NH3+])C1 308489841 573073185 /nfs/dbraw/zinc/07/31/85/573073185.db2.gz PXPUGJCMTBUEJX-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[N@H+]1C[C@@H](C)[C@](C)(CN)C1 308489841 573073191 /nfs/dbraw/zinc/07/31/91/573073191.db2.gz PXPUGJCMTBUEJX-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 308489841 573073196 /nfs/dbraw/zinc/07/31/96/573073196.db2.gz PXPUGJCMTBUEJX-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+][C@@H]1CCN(C2CC2)CC[C@@H]1CO 215049276 573073438 /nfs/dbraw/zinc/07/34/38/573073438.db2.gz AUFUOHLXCOOKLV-PSASIEDQSA-N 1 3 184.283 0.180 10 0 ACAEHO CC(C)[C@@H](CCO)N1CC[C@H]([NH3+])C1 215046505 573073604 /nfs/dbraw/zinc/07/36/04/573073604.db2.gz XWIIUJCKUNEJIF-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCN(C)[C@@H](C)C1 82485047 573074096 /nfs/dbraw/zinc/07/40/96/573074096.db2.gz DRUZYNAUGVZULY-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCN(C)[C@H](C)C1 82483817 573074252 /nfs/dbraw/zinc/07/42/52/573074252.db2.gz MVYRGQGLGUORRC-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO [NH3+]CCCCN1C[C@@H]2CC[C@H](C1)O2 85539846 573074463 /nfs/dbraw/zinc/07/44/63/573074463.db2.gz LUYJMWPENAQGJC-AOOOYVTPSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1CCN(C)C(C)(C)C1 82483863 573074957 /nfs/dbraw/zinc/07/49/57/573074957.db2.gz PIGCLEFQHKRIQC-QMMMGPOBSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@@H]1CN(CC(C)(C)C[NH3+])CCN1C 82484916 573075213 /nfs/dbraw/zinc/07/52/13/573075213.db2.gz FZLCQFMAOSTVIS-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO CC(=O)CCN1C[C@H](C)[C@](C)(C[NH3+])C1 308489839 573075235 /nfs/dbraw/zinc/07/52/35/573075235.db2.gz PXPUGJCMTBUEJX-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[N@H+]1C[C@H](C)[C@](C)(CN)C1 308489839 573075240 /nfs/dbraw/zinc/07/52/40/573075240.db2.gz PXPUGJCMTBUEJX-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[N@@H+]1C[C@H](C)[C@](C)(CN)C1 308489839 573075245 /nfs/dbraw/zinc/07/52/45/573075245.db2.gz PXPUGJCMTBUEJX-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH2+]C[C@@H](C)N1CCN(C)C(C)(C)C1 82485175 573075492 /nfs/dbraw/zinc/07/54/92/573075492.db2.gz KSSFWHGHTPGZQX-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCN(C)[C@H](C)C1 82485046 573075544 /nfs/dbraw/zinc/07/55/44/573075544.db2.gz DRUZYNAUGVZULY-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CCN1CCN(CC(C)(C)[NH3+])C[C@@H]1C 82485405 573075658 /nfs/dbraw/zinc/07/56/58/573075658.db2.gz JSUHUFFUDVLZEJ-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238271077 573076435 /nfs/dbraw/zinc/07/64/35/573076435.db2.gz KXKUCKIEIRLGGM-LMLFDSFASA-N 1 3 198.310 0.711 10 0 ACAEHO CC(=O)CCN1C[C@@H](C)[C@@](C)(C[NH3+])C1 308489840 573075805 /nfs/dbraw/zinc/07/58/05/573075805.db2.gz PXPUGJCMTBUEJX-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[N@H+]1C[C@@H](C)[C@@](C)(CN)C1 308489840 573075813 /nfs/dbraw/zinc/07/58/13/573075813.db2.gz PXPUGJCMTBUEJX-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[N@@H+]1C[C@@H](C)[C@@](C)(CN)C1 308489840 573075814 /nfs/dbraw/zinc/07/58/14/573075814.db2.gz PXPUGJCMTBUEJX-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238271077 573076438 /nfs/dbraw/zinc/07/64/38/573076438.db2.gz KXKUCKIEIRLGGM-LMLFDSFASA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238271077 573076444 /nfs/dbraw/zinc/07/64/44/573076444.db2.gz KXKUCKIEIRLGGM-LMLFDSFASA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@H]1[NH2+]CCC[C@H]1CN 238270835 573076539 /nfs/dbraw/zinc/07/65/39/573076539.db2.gz YJINXYRYPQWDOX-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H]1[N@H+](C)CCC[C@@]1(N)CCO 215050197 573076652 /nfs/dbraw/zinc/07/66/52/573076652.db2.gz NWHTUAMGYUPQFT-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H]1[N@@H+](C)CCC[C@@]1(N)CCO 215050197 573076654 /nfs/dbraw/zinc/07/66/54/573076654.db2.gz NWHTUAMGYUPQFT-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]1CNCC[C@H]1[NH2+]C 104618193 573077131 /nfs/dbraw/zinc/07/71/31/573077131.db2.gz JSYULFBQUYEKLN-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H]1C[NH2+]CCCCN1 104619963 573077556 /nfs/dbraw/zinc/07/75/56/573077556.db2.gz VDWFXMJBIIJNGK-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO C[C@H]1CNCCCC[NH2+]1 104619963 573077559 /nfs/dbraw/zinc/07/75/59/573077559.db2.gz VDWFXMJBIIJNGK-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO C[C@@]1(O)CCN(C[C@@H]2CCC[NH2+]C2)C1 235459593 573077573 /nfs/dbraw/zinc/07/75/73/573077573.db2.gz MRHWEPARFSBMOG-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@]1(O)CC[N@H+](C[C@@H]2CCCNC2)C1 235459593 573077581 /nfs/dbraw/zinc/07/75/81/573077581.db2.gz MRHWEPARFSBMOG-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@]1(O)CC[N@@H+](C[C@@H]2CCCNC2)C1 235459593 573077588 /nfs/dbraw/zinc/07/75/88/573077588.db2.gz MRHWEPARFSBMOG-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]1O 235460156 573078242 /nfs/dbraw/zinc/07/82/42/573078242.db2.gz RDOXMSATQKCGGY-HLTSFMKQSA-N 1 3 172.272 0.227 10 0 ACAEHO CN1CC[C@H](N(C)[C@@H]2CCC[NH2+]C2)C1 82499290 573078258 /nfs/dbraw/zinc/07/82/58/573078258.db2.gz HKLNQJFSXFZRJA-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@H]1[N@H+](C)CCC[C@]1(N)CCO 215050239 573078285 /nfs/dbraw/zinc/07/82/85/573078285.db2.gz NWHTUAMGYUPQFT-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]1[N@@H+](C)CCC[C@]1(N)CCO 215050239 573078288 /nfs/dbraw/zinc/07/82/88/573078288.db2.gz NWHTUAMGYUPQFT-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H]1C[NH2+]CCN[C@@H]1C 104619947 573078289 /nfs/dbraw/zinc/07/82/89/573078289.db2.gz DCMWQMSSHJDXIA-RNFRBKRXSA-N 1 3 128.219 0.204 10 0 ACAEHO C[C@@H](NC1CC1)[C@H]1CC[NH2+]C1 114466767 573079377 /nfs/dbraw/zinc/07/93/77/573079377.db2.gz SJWLEMZTEZUPSM-SFYZADRCSA-N 1 3 154.257 0.736 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H](N)[C@H](CO)CC1 215049653 573078619 /nfs/dbraw/zinc/07/86/19/573078619.db2.gz UACYFASIESLXEW-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@H]1CNCC[C@@H]1[NH2+]C 104618186 573078622 /nfs/dbraw/zinc/07/86/22/573078622.db2.gz JSYULFBQUYEKLN-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H](N)[C@H](CO)CC1 215049653 573078625 /nfs/dbraw/zinc/07/86/25/573078625.db2.gz UACYFASIESLXEW-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)N1CC[C@@H]([NH3+])[C@H](CO)CC1 215049653 573078633 /nfs/dbraw/zinc/07/86/33/573078633.db2.gz UACYFASIESLXEW-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[NH2+]C1[C@H](C)CNC[C@H]1C 104616657 573079382 /nfs/dbraw/zinc/07/93/82/573079382.db2.gz YPSXMDISEKEGKH-RNFRBKRXSA-N 1 3 142.246 0.450 10 0 ACAEHO CC(C)[N@H+]1CC[C@H](CO)[C@H](N)CC1 215049600 573078734 /nfs/dbraw/zinc/07/87/34/573078734.db2.gz UACYFASIESLXEW-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H](CO)[C@H](N)CC1 215049600 573078739 /nfs/dbraw/zinc/07/87/39/573078739.db2.gz UACYFASIESLXEW-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)N1CC[C@H](CO)[C@H]([NH3+])CC1 215049600 573078745 /nfs/dbraw/zinc/07/87/45/573078745.db2.gz UACYFASIESLXEW-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@H]1[N@H+](C)CCC[C@@]1(N)CCO 215050153 573078872 /nfs/dbraw/zinc/07/88/72/573078872.db2.gz NWHTUAMGYUPQFT-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H]1[N@@H+](C)CCC[C@@]1(N)CCO 215050153 573078876 /nfs/dbraw/zinc/07/88/76/573078876.db2.gz NWHTUAMGYUPQFT-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO [NH3+]CCCNCc1cc[nH]c1 85579323 573078909 /nfs/dbraw/zinc/07/89/09/573078909.db2.gz ITKHKNWLPWVCQY-UHFFFAOYSA-N 1 3 153.229 0.453 10 0 ACAEHO C[C@@H](NC1CC1)[C@@H]1CC[NH2+]C1 114466764 573078939 /nfs/dbraw/zinc/07/89/39/573078939.db2.gz SJWLEMZTEZUPSM-HTQZYQBOSA-N 1 3 154.257 0.736 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238271067 573078954 /nfs/dbraw/zinc/07/89/54/573078954.db2.gz KXKUCKIEIRLGGM-CHWFTXMASA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238271067 573078956 /nfs/dbraw/zinc/07/89/56/573078956.db2.gz KXKUCKIEIRLGGM-CHWFTXMASA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238271067 573078964 /nfs/dbraw/zinc/07/89/64/573078964.db2.gz KXKUCKIEIRLGGM-CHWFTXMASA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCC[C@@H](O)C1 235460271 573078980 /nfs/dbraw/zinc/07/89/80/573078980.db2.gz OKSWWXGHDHZBRP-IWSPIJDZSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCCN(C)C1 235460179 573079065 /nfs/dbraw/zinc/07/90/65/573079065.db2.gz NYCDDHHWYXUDNX-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@@H]1NCC[NH2+]C[C@H]1C 104619954 573079166 /nfs/dbraw/zinc/07/91/66/573079166.db2.gz DCMWQMSSHJDXIA-RQJHMYQMSA-N 1 3 128.219 0.204 10 0 ACAEHO C[C@H]1C[NH2+]CCN[C@@H]1C 104619950 573079523 /nfs/dbraw/zinc/07/95/23/573079523.db2.gz DCMWQMSSHJDXIA-NKWVEPMBSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+]C/C(C)=C/CN(C)C 104617211 573079660 /nfs/dbraw/zinc/07/96/60/573079660.db2.gz PCJWZVKGJMAFII-VMPITWQZSA-N 1 3 142.246 0.714 10 0 ACAEHO C[NH2+]C1[C@@H](C)CNC[C@@H]1C 104616652 573079729 /nfs/dbraw/zinc/07/97/29/573079729.db2.gz YPSXMDISEKEGKH-BQBZGAKWSA-N 1 3 142.246 0.450 10 0 ACAEHO [NH3+]CCCN1CCC2(CC2)[C@@H](O)C1 114479779 573079995 /nfs/dbraw/zinc/07/99/95/573079995.db2.gz FJEDNMZGKKFHNX-VIFPVBQESA-N 1 3 184.283 0.182 10 0 ACAEHO C[C@@H]1C[NH2+]CCCCN1 104619960 573079744 /nfs/dbraw/zinc/07/97/44/573079744.db2.gz VDWFXMJBIIJNGK-SSDOTTSWSA-N 1 3 128.219 0.348 10 0 ACAEHO C[C@@H]1CNCCCC[NH2+]1 104619960 573079750 /nfs/dbraw/zinc/07/97/50/573079750.db2.gz VDWFXMJBIIJNGK-SSDOTTSWSA-N 1 3 128.219 0.348 10 0 ACAEHO Cc1cnn(CCNC[C@@H](C)C[NH3+])c1 308492010 573079862 /nfs/dbraw/zinc/07/98/62/573079862.db2.gz AEQMMJNNGOCZRZ-VIFPVBQESA-N 1 3 196.298 0.376 10 0 ACAEHO Cc1cnn(CC[NH2+]C[C@@H](C)CN)c1 308492010 573079870 /nfs/dbraw/zinc/07/98/70/573079870.db2.gz AEQMMJNNGOCZRZ-VIFPVBQESA-N 1 3 196.298 0.376 10 0 ACAEHO C[C@H]1C[NH2+]CCN[C@H]1C 104619957 573080166 /nfs/dbraw/zinc/08/01/66/573080166.db2.gz DCMWQMSSHJDXIA-BQBZGAKWSA-N 1 3 128.219 0.204 10 0 ACAEHO CN(C)C(C)(C)[C@H]1CC[NH2+]C1 114470510 573080304 /nfs/dbraw/zinc/08/03/04/573080304.db2.gz SDTCEZGTCOLGDA-QMMMGPOBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@@H]1CNCC[C@@H]1[NH2+]C 104618184 573080326 /nfs/dbraw/zinc/08/03/26/573080326.db2.gz JSYULFBQUYEKLN-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[C@@H]1[N@H+](C)CCC[C@]1(N)CCO 215050277 573080765 /nfs/dbraw/zinc/08/07/65/573080765.db2.gz NWHTUAMGYUPQFT-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H]1[N@@H+](C)CCC[C@]1(N)CCO 215050277 573080771 /nfs/dbraw/zinc/08/07/71/573080771.db2.gz NWHTUAMGYUPQFT-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H](NC)[C@H]1CC[NH2+]C1 114470615 573081794 /nfs/dbraw/zinc/08/17/94/573081794.db2.gz GSNOCHCMGISTJB-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO N[C@H]1CCC[C@@H]1[NH+]1CC=CC1 114457100 573081620 /nfs/dbraw/zinc/08/16/20/573081620.db2.gz RIIKNAHMFJMNEX-IUCAKERBSA-N 1 3 152.241 0.738 10 0 ACAEHO [NH3+]CCCN1CCC2(CC2)[C@H](O)C1 114479777 573081690 /nfs/dbraw/zinc/08/16/90/573081690.db2.gz FJEDNMZGKKFHNX-SECBINFHSA-N 1 3 184.283 0.182 10 0 ACAEHO CNC(C)(C)[C@@H]1CC[NH2+]C1 114470645 573081728 /nfs/dbraw/zinc/08/17/28/573081728.db2.gz UPANAYQNWIZQDG-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO Nc1ccsc1CNCCC[NH3+] 85572142 573081918 /nfs/dbraw/zinc/08/19/18/573081918.db2.gz AOELGGCJHPHYHF-UHFFFAOYSA-N 1 3 185.296 0.769 10 0 ACAEHO N[C@H]1CCC[C@H]1[NH+]1CC=CC1 114457095 573082023 /nfs/dbraw/zinc/08/20/23/573082023.db2.gz RIIKNAHMFJMNEX-DTWKUNHWSA-N 1 3 152.241 0.738 10 0 ACAEHO C[N@@H+]1CCCCCNCC1 104619972 573082515 /nfs/dbraw/zinc/08/25/15/573082515.db2.gz CKRRSQLXNRAMQR-UHFFFAOYSA-N 1 3 142.246 0.692 10 0 ACAEHO CC[C@@H](NC)[C@H]1CC[NH2+]C1 114470614 573082519 /nfs/dbraw/zinc/08/25/19/573082519.db2.gz GSNOCHCMGISTJB-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO C[N@H+]1CCCCCNCC1 104619972 573082520 /nfs/dbraw/zinc/08/25/20/573082520.db2.gz CKRRSQLXNRAMQR-UHFFFAOYSA-N 1 3 142.246 0.692 10 0 ACAEHO N[C@@H]1CCC[C@H]1[NH+]1CC=CC1 114457098 573082535 /nfs/dbraw/zinc/08/25/35/573082535.db2.gz RIIKNAHMFJMNEX-RKDXNWHRSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[NH+]1CC=CC1 114457102 573082773 /nfs/dbraw/zinc/08/27/73/573082773.db2.gz RIIKNAHMFJMNEX-BDAKNGLRSA-N 1 3 152.241 0.738 10 0 ACAEHO C[C@H](NC1CC1)[C@H]1CC[NH2+]C1 114466769 573082843 /nfs/dbraw/zinc/08/28/43/573082843.db2.gz SJWLEMZTEZUPSM-YUMQZZPRSA-N 1 3 154.257 0.736 10 0 ACAEHO C[N@@H+]1CCC[C@@H]2CCN[C@@H]21 104623564 573082990 /nfs/dbraw/zinc/08/29/90/573082990.db2.gz HLISGORYOZLJMH-HTQZYQBOSA-N 1 3 140.230 0.648 10 0 ACAEHO C[N@H+]1CCC[C@@H]2CCN[C@@H]21 104623564 573083001 /nfs/dbraw/zinc/08/30/01/573083001.db2.gz HLISGORYOZLJMH-HTQZYQBOSA-N 1 3 140.230 0.648 10 0 ACAEHO C[C@H]1CCN[C@H](C)CC[NH2+]1 104621684 573083091 /nfs/dbraw/zinc/08/30/91/573083091.db2.gz MBAYHNRDFVNEPM-OCAPTIKFSA-N 1 3 142.246 0.736 10 0 ACAEHO C[C@H]1CC[NH2+][C@H](C)CCN1 104621684 573083095 /nfs/dbraw/zinc/08/30/95/573083095.db2.gz MBAYHNRDFVNEPM-OCAPTIKFSA-N 1 3 142.246 0.736 10 0 ACAEHO C[C@H]1CC[NH2+][C@@H](C)CCN1 104621686 573083418 /nfs/dbraw/zinc/08/34/18/573083418.db2.gz MBAYHNRDFVNEPM-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO C[C@@H]([NH3+])CCN1CC=CC1 114457091 573083606 /nfs/dbraw/zinc/08/36/06/573083606.db2.gz ZYJZPNDWPSSDAM-MRVPVSSYSA-N 1 3 140.230 0.596 10 0 ACAEHO CC1[C@H](C)NCC[NH2+][C@H]1C 104622918 573084286 /nfs/dbraw/zinc/08/42/86/573084286.db2.gz ZOXFAQKJLJVCMV-YUMQZZPRSA-N 1 3 142.246 0.592 10 0 ACAEHO CC(C)[C@H]([NH3+])CCN 114463308 573084430 /nfs/dbraw/zinc/08/44/30/573084430.db2.gz FAKVQKOINPDRTH-ZCFIWIBFSA-N 1 3 116.208 0.319 10 0 ACAEHO CC(C)[C@@H]([NH3+])CCN 114463307 573084624 /nfs/dbraw/zinc/08/46/24/573084624.db2.gz FAKVQKOINPDRTH-LURJTMIESA-N 1 3 116.208 0.319 10 0 ACAEHO CC[C@H](NC)[C@@H]1CC[NH2+]C1 114470612 573084639 /nfs/dbraw/zinc/08/46/39/573084639.db2.gz GSNOCHCMGISTJB-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+][C@@H](C)/C=C/CN(C)C 104620322 573084715 /nfs/dbraw/zinc/08/47/15/573084715.db2.gz FDQHUQATGCFRJC-GJIOHYHPSA-N 1 3 142.246 0.712 10 0 ACAEHO CN(C)C(C)(C)[C@@H]1CC[NH2+]C1 114470509 573084922 /nfs/dbraw/zinc/08/49/22/573084922.db2.gz SDTCEZGTCOLGDA-MRVPVSSYSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+]1CC[C@H](C2(N)CC2)C1 114480343 573084950 /nfs/dbraw/zinc/08/49/50/573084950.db2.gz MZRQKXVSGTZOIH-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CC[N@H+]1CC[C@H](C2(N)CC2)C1 114480343 573084955 /nfs/dbraw/zinc/08/49/55/573084955.db2.gz MZRQKXVSGTZOIH-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]([NH3+])CCN1CC=CC1 114457090 573085109 /nfs/dbraw/zinc/08/51/09/573085109.db2.gz ZYJZPNDWPSSDAM-QMMMGPOBSA-N 1 3 140.230 0.596 10 0 ACAEHO C[NH2+][C@H](C)/C=C/CN(C)C 104620326 573085135 /nfs/dbraw/zinc/08/51/35/573085135.db2.gz FDQHUQATGCFRJC-HQZHTGGTSA-N 1 3 142.246 0.712 10 0 ACAEHO CC[C@@H](NC)[C@@H]1CC[NH2+]C1 114470610 573085401 /nfs/dbraw/zinc/08/54/01/573085401.db2.gz GSNOCHCMGISTJB-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO C[N@@H+]1CCC[C@H]2CCN[C@@H]21 104623560 573086204 /nfs/dbraw/zinc/08/62/04/573086204.db2.gz HLISGORYOZLJMH-JGVFFNPUSA-N 1 3 140.230 0.648 10 0 ACAEHO C[N@H+]1CCC[C@H]2CCN[C@@H]21 104623560 573086210 /nfs/dbraw/zinc/08/62/10/573086210.db2.gz HLISGORYOZLJMH-JGVFFNPUSA-N 1 3 140.230 0.648 10 0 ACAEHO CCN1CCc2ncc(C[NH3+])cc2C1 238271257 573087266 /nfs/dbraw/zinc/08/72/66/573087266.db2.gz XCZRUNCHNCYOJL-UHFFFAOYSA-N 1 3 191.278 0.918 10 0 ACAEHO [NH3+]CCOCCCNCc1ccco1 308497632 573087442 /nfs/dbraw/zinc/08/74/42/573087442.db2.gz UIWSHUFLMJFSGT-UHFFFAOYSA-N 1 3 198.266 0.735 10 0 ACAEHO CCC[C@H]([NH3+])CCNCCOC 128628601 573088896 /nfs/dbraw/zinc/08/88/96/573088896.db2.gz RXQSKLBLXKJKLR-VIFPVBQESA-N 1 3 174.288 0.740 10 0 ACAEHO CO[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN)C1 308258349 573089020 /nfs/dbraw/zinc/08/90/20/573089020.db2.gz LAJWBMUSYJZZDF-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN)C1 308258353 573089109 /nfs/dbraw/zinc/08/91/09/573089109.db2.gz LAJWBMUSYJZZDF-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO CCO[C@H]1C[C@@H]1NC1CC[NH+](C)CC1 308500605 573090000 /nfs/dbraw/zinc/09/00/00/573090000.db2.gz GLGYNKFBIPTZKO-QWRGUYRKSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1CC[N@H+](CC[C@@H]2CNCCO2)C1 85621174 573091628 /nfs/dbraw/zinc/09/16/28/573091628.db2.gz JKQAZXWIORVPQD-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC[C@@H]2CNCCO2)C1 85621174 573091632 /nfs/dbraw/zinc/09/16/32/573091632.db2.gz JKQAZXWIORVPQD-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO CCC[C@H]([NH3+])CN(C)CCN(C)C 82540965 573091744 /nfs/dbraw/zinc/09/17/44/573091744.db2.gz GUYAXCLCXPMMIE-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO CCO[C@@H]1C[C@@H]1NC1CC[NH+](C)CC1 308500606 573092386 /nfs/dbraw/zinc/09/23/86/573092386.db2.gz GLGYNKFBIPTZKO-WDEREUQCSA-N 1 3 198.310 0.848 10 0 ACAEHO CCO[C@@H]1C[C@H]1NC1CC[NH+](C)CC1 308500603 573092495 /nfs/dbraw/zinc/09/24/95/573092495.db2.gz GLGYNKFBIPTZKO-GHMZBOCLSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN)C1 308258351 573092306 /nfs/dbraw/zinc/09/23/06/573092306.db2.gz LAJWBMUSYJZZDF-LPEHRKFASA-N 1 3 186.299 0.738 10 0 ACAEHO CC(C)C[NH2+]CC[C@@H]1CNCCO1 85621114 573092336 /nfs/dbraw/zinc/09/23/36/573092336.db2.gz MNPNSOHCVXARGB-SNVBAGLBSA-N 1 3 186.299 0.611 10 0 ACAEHO C[NH2+][C@@H]1CCN(c2ccncc2)C1 114585769 573093157 /nfs/dbraw/zinc/09/31/57/573093157.db2.gz ISEBPXBVBQDKBL-SECBINFHSA-N 1 3 177.251 0.880 10 0 ACAEHO CC[N@H+](C)CC[C@H]1CNCCO1 85620765 573093646 /nfs/dbraw/zinc/09/36/46/573093646.db2.gz DMSDOLQAFDNMKJ-VIFPVBQESA-N 1 3 172.272 0.317 10 0 ACAEHO CC[N@@H+](C)CC[C@H]1CNCCO1 85620765 573093650 /nfs/dbraw/zinc/09/36/50/573093650.db2.gz DMSDOLQAFDNMKJ-VIFPVBQESA-N 1 3 172.272 0.317 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1CC[C@@H]1CNCCO1 85621007 573094171 /nfs/dbraw/zinc/09/41/71/573094171.db2.gz WQUMTUDXKIMHQN-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CCC[N@H+]1CC[C@@H]1CNCCO1 85621007 573094176 /nfs/dbraw/zinc/09/41/76/573094176.db2.gz WQUMTUDXKIMHQN-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CCC[N@@H+]1CC[C@@H]1CNCCO1 85621010 573094524 /nfs/dbraw/zinc/09/45/24/573094524.db2.gz WQUMTUDXKIMHQN-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CCC[N@H+]1CC[C@@H]1CNCCO1 85621010 573094531 /nfs/dbraw/zinc/09/45/31/573094531.db2.gz WQUMTUDXKIMHQN-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CN(C)CCN(C)[C@H]1CCC[C@@H]([NH3+])C1 223180524 573095360 /nfs/dbraw/zinc/09/53/60/573095360.db2.gz DAZLELSTOYGDAG-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)CCN(C)[C@@H]1CC[C@@H]([NH3+])C1 223180595 573095395 /nfs/dbraw/zinc/09/53/95/573095395.db2.gz MILRAAGMHLHBEY-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]1CC[N@H+](CC[C@@H]2CNCCO2)C1 85621176 573095406 /nfs/dbraw/zinc/09/54/06/573095406.db2.gz JKQAZXWIORVPQD-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CC[N@@H+](CC[C@@H]2CNCCO2)C1 85621176 573095410 /nfs/dbraw/zinc/09/54/10/573095410.db2.gz JKQAZXWIORVPQD-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CCC[NH2+]CC[C@@H]1CNCCO1 85621066 573095640 /nfs/dbraw/zinc/09/56/40/573095640.db2.gz UQBXLVRHZWAXKB-SECBINFHSA-N 1 3 172.272 0.365 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C[C@H](C)CN)CCO1 308254582 573095978 /nfs/dbraw/zinc/09/59/78/573095978.db2.gz ICWKDEDWQBTYSS-KXUCPTDWSA-N 1 3 186.299 0.738 10 0 ACAEHO CC(C)NC[C@H]1C[NH2+]C[C@H]1C 82560516 573097061 /nfs/dbraw/zinc/09/70/61/573097061.db2.gz YZSPMRCHRRCBHC-RKDXNWHRSA-N 1 3 156.273 0.840 10 0 ACAEHO CN(C)CCN(C)[C@H]1CC[C@@H]([NH3+])C1 223180654 573097102 /nfs/dbraw/zinc/09/71/02/573097102.db2.gz MILRAAGMHLHBEY-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCNC[C@@H]1C[NH2+]C[C@@H]1C 82560544 573097553 /nfs/dbraw/zinc/09/75/53/573097553.db2.gz QJFOBFBLCAKSEE-JGVFFNPUSA-N 1 3 142.246 0.451 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCO[C@H](C)C1 308254587 573097916 /nfs/dbraw/zinc/09/79/16/573097916.db2.gz ICWKDEDWQBTYSS-OPRDCNLKSA-N 1 3 186.299 0.738 10 0 ACAEHO CNC[C@@H]1C[NH2+]C[C@@H]1C 82560543 573098012 /nfs/dbraw/zinc/09/80/12/573098012.db2.gz WVPCDSLZKFKUSR-NKWVEPMBSA-N 1 3 128.219 0.061 10 0 ACAEHO CNC[C@H]1C[NH2+]C[C@@H]1C 82560541 573098120 /nfs/dbraw/zinc/09/81/20/573098120.db2.gz WVPCDSLZKFKUSR-BQBZGAKWSA-N 1 3 128.219 0.061 10 0 ACAEHO CCCNC[C@@H]1C[NH2+]C[C@H]1C 82560510 573098207 /nfs/dbraw/zinc/09/82/07/573098207.db2.gz XBHWGMHSFDJQJO-RKDXNWHRSA-N 1 3 156.273 0.842 10 0 ACAEHO CSC(=N)CC[NH3+] 104634421 573098550 /nfs/dbraw/zinc/09/85/50/573098550.db2.gz CVHZKLOOBNLQLM-UHFFFAOYSA-N 1 3 118.205 0.675 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCO[C@H](C)C1 308254578 573098846 /nfs/dbraw/zinc/09/88/46/573098846.db2.gz ICWKDEDWQBTYSS-BBBLOLIVSA-N 1 3 186.299 0.738 10 0 ACAEHO CCNC[C@H]1C[NH2+]C[C@@H]1C 82560545 573098906 /nfs/dbraw/zinc/09/89/06/573098906.db2.gz QJFOBFBLCAKSEE-YUMQZZPRSA-N 1 3 142.246 0.451 10 0 ACAEHO CC(C)NC[C@@H]1C[NH2+]C[C@@H]1C 82560519 573099097 /nfs/dbraw/zinc/09/90/97/573099097.db2.gz YZSPMRCHRRCBHC-IUCAKERBSA-N 1 3 156.273 0.840 10 0 ACAEHO CCNC[C@H]1C[NH2+]C[C@H]1C 82560547 573099400 /nfs/dbraw/zinc/09/94/00/573099400.db2.gz QJFOBFBLCAKSEE-SFYZADRCSA-N 1 3 142.246 0.451 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C[C@H](C)CN)CCO1 308254591 573099747 /nfs/dbraw/zinc/09/97/47/573099747.db2.gz ICWKDEDWQBTYSS-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO CNC[C@H]1C[NH2+]C[C@H]1C 82560540 573099898 /nfs/dbraw/zinc/09/98/98/573099898.db2.gz WVPCDSLZKFKUSR-RQJHMYQMSA-N 1 3 128.219 0.061 10 0 ACAEHO CCNC[C@@H]1C[NH2+]C[C@H]1C 82560546 573099956 /nfs/dbraw/zinc/09/99/56/573099956.db2.gz QJFOBFBLCAKSEE-HTQZYQBOSA-N 1 3 142.246 0.451 10 0 ACAEHO CCCNC[C@H]1C[NH2+]C[C@@H]1C 82560509 573099986 /nfs/dbraw/zinc/09/99/86/573099986.db2.gz XBHWGMHSFDJQJO-IUCAKERBSA-N 1 3 156.273 0.842 10 0 ACAEHO CC(C)NC[C@H]1C[NH2+]C[C@@H]1C 82560517 573100425 /nfs/dbraw/zinc/10/04/25/573100425.db2.gz YZSPMRCHRRCBHC-DTWKUNHWSA-N 1 3 156.273 0.840 10 0 ACAEHO CC(C)CC(C)(CN)C[NH3+] 104633667 573101105 /nfs/dbraw/zinc/10/11/05/573101105.db2.gz RLYWJBVMCOYLFP-UHFFFAOYSA-N 1 3 144.262 0.956 10 0 ACAEHO CC(C)NC[C@@H]1C[NH2+]C[C@H]1C 82560518 573101138 /nfs/dbraw/zinc/10/11/38/573101138.db2.gz YZSPMRCHRRCBHC-BDAKNGLRSA-N 1 3 156.273 0.840 10 0 ACAEHO CCCNC[C@@H]1C[NH2+]C[C@@H]1C 82560508 573101700 /nfs/dbraw/zinc/10/17/00/573101700.db2.gz XBHWGMHSFDJQJO-DTWKUNHWSA-N 1 3 156.273 0.842 10 0 ACAEHO COC[C@@](C)(N)C[C@H](C)[NH3+] 104638375 573101908 /nfs/dbraw/zinc/10/19/08/573101908.db2.gz ZVTIIRNMZWTPLI-BQBZGAKWSA-N 1 3 146.234 0.088 10 0 ACAEHO C[C@H]([NH3+])CNc1ccncc1 82575828 573102612 /nfs/dbraw/zinc/10/26/12/573102612.db2.gz IJQXJCRGTHUEPD-ZETCQYMHSA-N 1 3 151.213 0.841 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH+]1CC=CC1 114685482 573102141 /nfs/dbraw/zinc/10/21/41/573102141.db2.gz RZAMUYFJRKPLAN-NXEZZACHSA-N 1 3 166.268 0.986 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1N1CC=CC1 114685482 573102147 /nfs/dbraw/zinc/10/21/47/573102147.db2.gz RZAMUYFJRKPLAN-NXEZZACHSA-N 1 3 166.268 0.986 10 0 ACAEHO C[C@@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1C 82569841 573102207 /nfs/dbraw/zinc/10/22/07/573102207.db2.gz JZCHHXXLVAHWIA-KATARQTJSA-N 1 3 168.284 0.840 10 0 ACAEHO OC[C@@]1([C@H]2CCCNC2)CCCC[NH2+]1 257940986 573102286 /nfs/dbraw/zinc/10/22/86/573102286.db2.gz BQSMFLWIDUOIKS-WDEREUQCSA-N 1 3 198.310 0.491 10 0 ACAEHO OC[C@@]1([C@H]2CCC[NH2+]C2)CCCCN1 257940986 573102299 /nfs/dbraw/zinc/10/22/99/573102299.db2.gz BQSMFLWIDUOIKS-WDEREUQCSA-N 1 3 198.310 0.491 10 0 ACAEHO C[C@@H]([NH3+])CNc1nccn1C 82575386 573102952 /nfs/dbraw/zinc/10/29/52/573102952.db2.gz MDFHZSDERLYBLI-ZCFIWIBFSA-N 1 3 154.217 0.179 10 0 ACAEHO CCn1ccnc1NC[C@@H](C)[NH3+] 82575597 573102646 /nfs/dbraw/zinc/10/26/46/573102646.db2.gz DCHBIPTZOIRKJY-SSDOTTSWSA-N 1 3 168.244 0.662 10 0 ACAEHO COC[C@](C)(N)C[C@H](C)[NH3+] 104638382 573102670 /nfs/dbraw/zinc/10/26/70/573102670.db2.gz ZVTIIRNMZWTPLI-NKWVEPMBSA-N 1 3 146.234 0.088 10 0 ACAEHO OC[C@]1([C@@H]2CCCNC2)CCCC[NH2+]1 257940979 573102707 /nfs/dbraw/zinc/10/27/07/573102707.db2.gz BQSMFLWIDUOIKS-MNOVXSKESA-N 1 3 198.310 0.491 10 0 ACAEHO OC[C@]1([C@@H]2CCC[NH2+]C2)CCCCN1 257940979 573102713 /nfs/dbraw/zinc/10/27/13/573102713.db2.gz BQSMFLWIDUOIKS-MNOVXSKESA-N 1 3 198.310 0.491 10 0 ACAEHO C[C@@H]([NH3+])CNc1ccncc1 82575830 573103511 /nfs/dbraw/zinc/10/35/11/573103511.db2.gz IJQXJCRGTHUEPD-SSDOTTSWSA-N 1 3 151.213 0.841 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CC=CC1 114685489 573103634 /nfs/dbraw/zinc/10/36/34/573103634.db2.gz RZAMUYFJRKPLAN-UWVGGRQHSA-N 1 3 166.268 0.986 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CC=CC1 114685489 573103643 /nfs/dbraw/zinc/10/36/43/573103643.db2.gz RZAMUYFJRKPLAN-UWVGGRQHSA-N 1 3 166.268 0.986 10 0 ACAEHO CSC[C@H](N)CC[NH3+] 104638629 573103776 /nfs/dbraw/zinc/10/37/76/573103776.db2.gz IHWSILQICJIIDF-RXMQYKEDSA-N 1 3 134.248 0.026 10 0 ACAEHO C[N@H+](CCN)CCc1cc[nH]c1 77262463 573103916 /nfs/dbraw/zinc/10/39/16/573103916.db2.gz MVFDHPBGPUMNTH-UHFFFAOYSA-N 1 3 167.256 0.448 10 0 ACAEHO C[N@@H+](CCN)CCc1cc[nH]c1 77262463 573103925 /nfs/dbraw/zinc/10/39/25/573103925.db2.gz MVFDHPBGPUMNTH-UHFFFAOYSA-N 1 3 167.256 0.448 10 0 ACAEHO OC[C@@]1([C@@H]2CCCNC2)CCCC[NH2+]1 257940975 573105261 /nfs/dbraw/zinc/10/52/61/573105261.db2.gz BQSMFLWIDUOIKS-GHMZBOCLSA-N 1 3 198.310 0.491 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH+]1CC=CC1 114685486 573104461 /nfs/dbraw/zinc/10/44/61/573104461.db2.gz RZAMUYFJRKPLAN-ZJUUUORDSA-N 1 3 166.268 0.986 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1N1CC=CC1 114685486 573104466 /nfs/dbraw/zinc/10/44/66/573104466.db2.gz RZAMUYFJRKPLAN-ZJUUUORDSA-N 1 3 166.268 0.986 10 0 ACAEHO NC[C@H]1[C@@H]([NH3+])[C@@H]2C=C[C@H]1C2 104636285 573104586 /nfs/dbraw/zinc/10/45/86/573104586.db2.gz NWTDABDTHCUTCI-OSMVPFSASA-N 1 3 138.214 0.095 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH+]1CC=CC1 114685485 573104675 /nfs/dbraw/zinc/10/46/75/573104675.db2.gz RZAMUYFJRKPLAN-VHSXEESVSA-N 1 3 166.268 0.986 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CC=CC1 114685485 573104677 /nfs/dbraw/zinc/10/46/77/573104677.db2.gz RZAMUYFJRKPLAN-VHSXEESVSA-N 1 3 166.268 0.986 10 0 ACAEHO OC[C@@]1([C@@H]2CCC[NH2+]C2)CCCCN1 257940975 573105267 /nfs/dbraw/zinc/10/52/67/573105267.db2.gz BQSMFLWIDUOIKS-GHMZBOCLSA-N 1 3 198.310 0.491 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CNC1CCC1 82569833 573106162 /nfs/dbraw/zinc/10/61/62/573106162.db2.gz WNKNQBCADPBNPA-BDAKNGLRSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1CNC1CCC1 82569836 573106201 /nfs/dbraw/zinc/10/62/01/573106201.db2.gz WNKNQBCADPBNPA-IUCAKERBSA-N 1 3 168.284 0.984 10 0 ACAEHO COC[C@](C)(N)C[C@@H](C)[NH3+] 104638387 573106387 /nfs/dbraw/zinc/10/63/87/573106387.db2.gz ZVTIIRNMZWTPLI-RNFRBKRXSA-N 1 3 146.234 0.088 10 0 ACAEHO CCn1ccnc1NC[C@H](C)[NH3+] 82575601 573106425 /nfs/dbraw/zinc/10/64/25/573106425.db2.gz DCHBIPTZOIRKJY-ZETCQYMHSA-N 1 3 168.244 0.662 10 0 ACAEHO C[N@@H+]1CCC[C@H]([C@H](F)CN)C1 258479489 573107127 /nfs/dbraw/zinc/10/71/27/573107127.db2.gz JDBYZJJSFCTSRA-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CCC[C@H]([C@H](F)CN)C1 258479489 573107129 /nfs/dbraw/zinc/10/71/29/573107129.db2.gz JDBYZJJSFCTSRA-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO CC[C@H]([NH3+])CNc1nccn1C 82579308 573107632 /nfs/dbraw/zinc/10/76/32/573107632.db2.gz MLGLRHJEUCYOIG-ZETCQYMHSA-N 1 3 168.244 0.569 10 0 ACAEHO CN(C)C[C@@]1(C[NH3+])CCCOC1 82582240 573107948 /nfs/dbraw/zinc/10/79/48/573107948.db2.gz RYRMJJMZELVAHW-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO C[NH+](C)C[C@@]1(CN)CCCOC1 82582240 573107953 /nfs/dbraw/zinc/10/79/53/573107953.db2.gz RYRMJJMZELVAHW-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO NC[C@@]1(C[NH+]2CCCC2)CCCOC1 82582191 573108101 /nfs/dbraw/zinc/10/81/01/573108101.db2.gz HRZQTPBLQCCZAC-LLVKDONJSA-N 1 3 198.310 0.838 10 0 ACAEHO CNCc1ccc(C[NH3+])cn1 258479269 573108263 /nfs/dbraw/zinc/10/82/63/573108263.db2.gz IZURDLPOUJABHI-UHFFFAOYSA-N 1 3 151.213 0.260 10 0 ACAEHO NC12CC3CC(C1)CC2([NH3+])C3 114733115 573108317 /nfs/dbraw/zinc/10/83/17/573108317.db2.gz JEQUFMFAUVNQLK-UHFFFAOYSA-N 1 3 152.241 0.605 10 0 ACAEHO CC(C)([NH3+])c1c[nH]c(N)n1 259329708 573108369 /nfs/dbraw/zinc/10/83/69/573108369.db2.gz OOWBOJWLXUGUDT-UHFFFAOYSA-N 1 3 140.190 0.186 10 0 ACAEHO CNC[C@@H](F)[C@@H]1CC[NH2+]C1 258479388 573108496 /nfs/dbraw/zinc/10/84/96/573108496.db2.gz JBWHJUODEIEZBX-RNFRBKRXSA-N 1 3 146.209 0.153 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCCC[C@@H]1O 235463310 573108723 /nfs/dbraw/zinc/10/87/23/573108723.db2.gz RDOXMSATQKCGGY-VGMNWLOBSA-N 1 3 172.272 0.227 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H]2N=C(N)S[C@H]2C1 257724340 573108876 /nfs/dbraw/zinc/10/88/76/573108876.db2.gz AZQXAZWUGZHQAV-CSMHCCOUSA-N 1 3 199.323 0.805 10 0 ACAEHO CC[C@@H]([NH3+])CNc1nccn1C 82579309 573108895 /nfs/dbraw/zinc/10/88/95/573108895.db2.gz MLGLRHJEUCYOIG-SSDOTTSWSA-N 1 3 168.244 0.569 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)[C@@H]([NH3+])C1 114726666 573108913 /nfs/dbraw/zinc/10/89/13/573108913.db2.gz ZXWUMSRYMMCECY-CSMHCCOUSA-N 1 3 142.246 0.709 10 0 ACAEHO C[C@H](C[NH3+])Nc1nccn1C 82576271 573109156 /nfs/dbraw/zinc/10/91/56/573109156.db2.gz WYFKWURJPQFYKS-ZCFIWIBFSA-N 1 3 154.217 0.179 10 0 ACAEHO C1=C2CC[NH2+]CCN2CCC1 114723155 573109342 /nfs/dbraw/zinc/10/93/42/573109342.db2.gz PWNQRCRMEYGPNQ-UHFFFAOYSA-N 1 3 152.241 0.959 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H]2N=C(N)S[C@H]2C1 257724341 573109416 /nfs/dbraw/zinc/10/94/16/573109416.db2.gz AZQXAZWUGZHQAV-PRJMDXOYSA-N 1 3 199.323 0.805 10 0 ACAEHO CNC[C@H](F)[C@@H]1CC[NH2+]C1 258479394 573109859 /nfs/dbraw/zinc/10/98/59/573109859.db2.gz JBWHJUODEIEZBX-RQJHMYQMSA-N 1 3 146.209 0.153 10 0 ACAEHO NC/C(Cl)=C\C[NH3+] 104640475 573109960 /nfs/dbraw/zinc/10/99/60/573109960.db2.gz WBZAUALWKYDLKI-DAFODLJHSA-N 1 3 120.583 0.027 10 0 ACAEHO C[N@@H+]1CCC[C@@H]([C@@H](F)CN)C1 258479493 573110030 /nfs/dbraw/zinc/11/00/30/573110030.db2.gz JDBYZJJSFCTSRA-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CCC[C@@H]([C@@H](F)CN)C1 258479493 573110037 /nfs/dbraw/zinc/11/00/37/573110037.db2.gz JDBYZJJSFCTSRA-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@@H](C[NH3+])Nc1nccn1C 82576269 573110345 /nfs/dbraw/zinc/11/03/45/573110345.db2.gz WYFKWURJPQFYKS-LURJTMIESA-N 1 3 154.217 0.179 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCCN(C)C1 235463329 573110485 /nfs/dbraw/zinc/11/04/85/573110485.db2.gz NYCDDHHWYXUDNX-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO [NH3+][C@@H]1CCN2CCC[C@@H]1C2 104641273 573111439 /nfs/dbraw/zinc/11/14/39/573111439.db2.gz VIZAZBTVZGLWCG-HTQZYQBOSA-N 1 3 140.230 0.429 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCC[C@@H](O)C1 235463429 573111638 /nfs/dbraw/zinc/11/16/38/573111638.db2.gz OKSWWXGHDHZBRP-HRDYMLBCSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](CN)[NH2+][C@H]1CCN2CCC[C@@H]12 235463667 573111662 /nfs/dbraw/zinc/11/16/62/573111662.db2.gz MDBSQMCNWSTHCD-UTLUCORTSA-N 1 3 183.299 0.160 10 0 ACAEHO CC[C@@H]1[NH2+]CCC[C@@H]1CN 238286963 573111843 /nfs/dbraw/zinc/11/18/43/573111843.db2.gz YJINXYRYPQWDOX-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO C[N@@H+]1CCC[C@H]([C@@H](F)CN)C1 258479496 573111894 /nfs/dbraw/zinc/11/18/94/573111894.db2.gz JDBYZJJSFCTSRA-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CCC[C@H]([C@@H](F)CN)C1 258479496 573111899 /nfs/dbraw/zinc/11/18/99/573111899.db2.gz JDBYZJJSFCTSRA-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO CN(C)C[C@]1(C[NH3+])CCCOC1 82582239 573112077 /nfs/dbraw/zinc/11/20/77/573112077.db2.gz RYRMJJMZELVAHW-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO C[NH+](C)C[C@]1(CN)CCCOC1 82582239 573112082 /nfs/dbraw/zinc/11/20/82/573112082.db2.gz RYRMJJMZELVAHW-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO [NH3+]CCCN1C=CCC1 104642648 573112287 /nfs/dbraw/zinc/11/22/87/573112287.db2.gz CJEDZZYFRNGSKM-UHFFFAOYSA-N 1 3 126.203 0.555 10 0 ACAEHO NCCC[N@H+]1C=CCC1 104642648 573112293 /nfs/dbraw/zinc/11/22/93/573112293.db2.gz CJEDZZYFRNGSKM-UHFFFAOYSA-N 1 3 126.203 0.555 10 0 ACAEHO NCCC[N@@H+]1C=CCC1 104642648 573112301 /nfs/dbraw/zinc/11/23/01/573112301.db2.gz CJEDZZYFRNGSKM-UHFFFAOYSA-N 1 3 126.203 0.555 10 0 ACAEHO CNC[C@@H](F)[C@H]1CC[NH2+]C1 258479386 573112849 /nfs/dbraw/zinc/11/28/49/573112849.db2.gz JBWHJUODEIEZBX-NKWVEPMBSA-N 1 3 146.209 0.153 10 0 ACAEHO NCC(C[NH3+])[C@@H]1CCSC1 258232862 573113355 /nfs/dbraw/zinc/11/33/55/573113355.db2.gz RNJYMZLPRBSQSU-ZCFIWIBFSA-N 1 3 160.286 0.273 10 0 ACAEHO CC[C@@H]1[NH2+]CCC[C@H]1CN 238287010 573114114 /nfs/dbraw/zinc/11/41/14/573114114.db2.gz YJINXYRYPQWDOX-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO Cn1ccnc1NC[C@@H]([NH3+])C1CC1 82593827 573114379 /nfs/dbraw/zinc/11/43/79/573114379.db2.gz ZCHALXJKJPTYNS-MRVPVSSYSA-N 1 3 180.255 0.569 10 0 ACAEHO CN1CCC[C@H]([C@@H](O)C2([NH3+])CC2)C1 259036027 573114459 /nfs/dbraw/zinc/11/44/59/573114459.db2.gz FEOFJMFBCZGMCW-DTWKUNHWSA-N 1 3 184.283 0.180 10 0 ACAEHO NCc1cocc1C[NH3+] 104645145 573115404 /nfs/dbraw/zinc/11/54/04/573115404.db2.gz OWBAOYFPNSSLHL-UHFFFAOYSA-N 1 3 126.159 0.197 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)C[C@@]12COC[C@@H]1C2 715126675 573115604 /nfs/dbraw/zinc/11/56/04/573115604.db2.gz LGIXJXGKVOHPPW-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO CC[C@@H](C[NH3+])Nc1nccn1C 82591795 573115905 /nfs/dbraw/zinc/11/59/05/573115905.db2.gz MUZHGPHUXDOKQZ-ZETCQYMHSA-N 1 3 168.244 0.569 10 0 ACAEHO C[NH2+]C(C)(C)C(=O)[C@@H]1CCCN(C)C1 259331387 573116059 /nfs/dbraw/zinc/11/60/59/573116059.db2.gz YNLHEIPRTDPIIO-SECBINFHSA-N 1 3 198.310 0.895 10 0 ACAEHO CCO[C@]1(CN)CC[N@@H+](C(C)C)C1 257944778 573116091 /nfs/dbraw/zinc/11/60/91/573116091.db2.gz VODRCJADLUVLGP-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@]1(CN)CC[N@H+](C(C)C)C1 257944778 573116095 /nfs/dbraw/zinc/11/60/95/573116095.db2.gz VODRCJADLUVLGP-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@]1(C[NH3+])CCN(C(C)C)C1 257944778 573116101 /nfs/dbraw/zinc/11/61/01/573116101.db2.gz VODRCJADLUVLGP-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)C[C@@H](CO)[NH2+]C[C@@H](C)CN 308266482 573116223 /nfs/dbraw/zinc/11/62/23/573116223.db2.gz PVVYGKLECWNAJY-UWVGGRQHSA-N 1 3 188.315 0.578 10 0 ACAEHO CCC[NH2+]C[C@@H](C)[C@H](C)N 144064454 573116236 /nfs/dbraw/zinc/11/62/36/573116236.db2.gz QDCBPRSKXZELHJ-SFYZADRCSA-N 1 3 144.262 0.969 10 0 ACAEHO Cn1ccnc1NC[C@H]([NH3+])C1CC1 82593825 573116322 /nfs/dbraw/zinc/11/63/22/573116322.db2.gz ZCHALXJKJPTYNS-QMMMGPOBSA-N 1 3 180.255 0.569 10 0 ACAEHO C[C@H]([NH3+])CN(C)c1ccncc1 82592606 573116738 /nfs/dbraw/zinc/11/67/38/573116738.db2.gz RGZYAUBAFLRYOY-QMMMGPOBSA-N 1 3 165.240 0.865 10 0 ACAEHO CC[C@H](C[NH3+])Nc1nccn1C 82591796 573116758 /nfs/dbraw/zinc/11/67/58/573116758.db2.gz MUZHGPHUXDOKQZ-SSDOTTSWSA-N 1 3 168.244 0.569 10 0 ACAEHO CN1CCC[C@H]([C@H](O)C2([NH3+])CC2)C1 259036031 573116945 /nfs/dbraw/zinc/11/69/45/573116945.db2.gz FEOFJMFBCZGMCW-IUCAKERBSA-N 1 3 184.283 0.180 10 0 ACAEHO CN(C)[C@@H]1C=C[C@@H](O)C12CC[NH2+]CC2 238287648 573117032 /nfs/dbraw/zinc/11/70/32/573117032.db2.gz FROXLPAKFNYVOT-NXEZZACHSA-N 1 3 196.294 0.217 10 0 ACAEHO CN1CCC[C@@H]([C@@H](O)C2([NH3+])CC2)C1 259036035 573117034 /nfs/dbraw/zinc/11/70/34/573117034.db2.gz FEOFJMFBCZGMCW-RKDXNWHRSA-N 1 3 184.283 0.180 10 0 ACAEHO CCO[C@@]1(CN)CC[N@@H+](C(C)C)C1 257944781 573117208 /nfs/dbraw/zinc/11/72/08/573117208.db2.gz VODRCJADLUVLGP-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@@]1(CN)CC[N@H+](C(C)C)C1 257944781 573117210 /nfs/dbraw/zinc/11/72/10/573117210.db2.gz VODRCJADLUVLGP-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@@]1(C[NH3+])CCN(C(C)C)C1 257944781 573117214 /nfs/dbraw/zinc/11/72/14/573117214.db2.gz VODRCJADLUVLGP-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO C[NH2+]C(C)(C)C(=O)[C@H]1CCCN(C)C1 259331389 573117874 /nfs/dbraw/zinc/11/78/74/573117874.db2.gz YNLHEIPRTDPIIO-VIFPVBQESA-N 1 3 198.310 0.895 10 0 ACAEHO CCC[NH2+]C[C@@H](C)[C@@H](C)N 144064063 573117927 /nfs/dbraw/zinc/11/79/27/573117927.db2.gz QDCBPRSKXZELHJ-HTQZYQBOSA-N 1 3 144.262 0.969 10 0 ACAEHO C[C@@]1(CN)CCCC[C@@H]1[NH3+] 104651106 573118129 /nfs/dbraw/zinc/11/81/29/573118129.db2.gz JSVAWYAUDUCRNY-YUMQZZPRSA-N 1 3 142.246 0.853 10 0 ACAEHO CC(C)C[C@H](CO)[NH2+]C[C@@H](C)CN 308266484 573118184 /nfs/dbraw/zinc/11/81/84/573118184.db2.gz PVVYGKLECWNAJY-VHSXEESVSA-N 1 3 188.315 0.578 10 0 ACAEHO N[C@H](C[NH+]1CCCC1)C1CCOCC1 144047789 573118227 /nfs/dbraw/zinc/11/82/27/573118227.db2.gz PJRUFOSHUWHNQL-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCc1cnc([C@H]2CCCN2)o1 257945077 573118308 /nfs/dbraw/zinc/11/83/08/573118308.db2.gz FOLBQXMOYQPXFK-SECBINFHSA-N 1 3 195.266 0.990 10 0 ACAEHO [NH3+]CCCc1cnc([C@@H]2CCCN2)o1 257945078 573118515 /nfs/dbraw/zinc/11/85/15/573118515.db2.gz FOLBQXMOYQPXFK-VIFPVBQESA-N 1 3 195.266 0.990 10 0 ACAEHO CC(C)C[C@@H](CO)[NH2+]C[C@H](C)CN 308266486 573119125 /nfs/dbraw/zinc/11/91/25/573119125.db2.gz PVVYGKLECWNAJY-ZJUUUORDSA-N 1 3 188.315 0.578 10 0 ACAEHO OC[C@@]1([C@@H]2CC[NH2+]C2)CCCCN1 257947853 573119290 /nfs/dbraw/zinc/11/92/90/573119290.db2.gz CEVSZHGFHLOYJB-NXEZZACHSA-N 1 3 184.283 0.101 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H]2N=C(N)S[C@H]2C1 257725718 573119460 /nfs/dbraw/zinc/11/94/60/573119460.db2.gz CZQMXMJGTQHTFR-VQVTYTSYSA-N 1 3 185.296 0.557 10 0 ACAEHO C[C@H](C[NH3+])Nc1cnccc1N(C)C 235470409 573119736 /nfs/dbraw/zinc/11/97/36/573119736.db2.gz FAJNQZAKTDAGBF-MRVPVSSYSA-N 1 3 194.282 0.907 10 0 ACAEHO CC[C@@]1(C)CNCC[C@H]1[NH2+]C 142092051 573120036 /nfs/dbraw/zinc/12/00/36/573120036.db2.gz NOTIVFRUVAGKJJ-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@]1(C)C[NH2+]CC[C@H]1NC 142092051 573120039 /nfs/dbraw/zinc/12/00/39/573120039.db2.gz NOTIVFRUVAGKJJ-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CN(C)[C@@H]1C=C[C@H](O)C12CC[NH2+]CC2 238287657 573120059 /nfs/dbraw/zinc/12/00/59/573120059.db2.gz FROXLPAKFNYVOT-ZJUUUORDSA-N 1 3 196.294 0.217 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H]2N=C(N)S[C@H]2C1 257725716 573120397 /nfs/dbraw/zinc/12/03/97/573120397.db2.gz CZQMXMJGTQHTFR-QYNIQEEDSA-N 1 3 185.296 0.557 10 0 ACAEHO C[C@H](O)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 223948795 573120733 /nfs/dbraw/zinc/12/07/33/573120733.db2.gz NDIPLMGIAVMXRT-GUBZILKMSA-N 1 3 186.299 0.487 10 0 ACAEHO CC[C@](C)(N)[C@H](C)[NH3+] 104648070 573120868 /nfs/dbraw/zinc/12/08/68/573120868.db2.gz DXTFUNBMRBRDAN-WDSKDSINSA-N 1 3 116.208 0.461 10 0 ACAEHO OC[C@]1([C@H]2CC[NH2+]C2)CCCCN1 257947854 573121055 /nfs/dbraw/zinc/12/10/55/573121055.db2.gz CEVSZHGFHLOYJB-UWVGGRQHSA-N 1 3 184.283 0.101 10 0 ACAEHO CCC[NH2+]C[C@H](C)[C@H](C)N 144064648 573121273 /nfs/dbraw/zinc/12/12/73/573121273.db2.gz QDCBPRSKXZELHJ-YUMQZZPRSA-N 1 3 144.262 0.969 10 0 ACAEHO CCO[C@@]1(CNC)CCC[NH2+]C1 257947578 573121993 /nfs/dbraw/zinc/12/19/93/573121993.db2.gz VTSZQHRCNYWMFM-SECBINFHSA-N 1 3 172.272 0.365 10 0 ACAEHO CC[C@](C)(N)[C@@H](C)[NH3+] 104648063 573122163 /nfs/dbraw/zinc/12/21/63/573122163.db2.gz DXTFUNBMRBRDAN-RITPCOANSA-N 1 3 116.208 0.461 10 0 ACAEHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H]1CO 308274464 573122184 /nfs/dbraw/zinc/12/21/84/573122184.db2.gz UOVZWMINGWGASL-OPRDCNLKSA-N 1 3 186.299 0.297 10 0 ACAEHO C[C@@H]1C[C@H](N)[C@H](C)C[NH2+]1 104648422 573122806 /nfs/dbraw/zinc/12/28/06/573122806.db2.gz CLUBPEMTGYZXDR-QYNIQEEDSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])[C@H](C)CN1 104648422 573122809 /nfs/dbraw/zinc/12/28/09/573122809.db2.gz CLUBPEMTGYZXDR-QYNIQEEDSA-N 1 3 128.219 0.332 10 0 ACAEHO CCO[C@]1(CNC)CCC[NH2+]C1 257947579 573122895 /nfs/dbraw/zinc/12/28/95/573122895.db2.gz VTSZQHRCNYWMFM-VIFPVBQESA-N 1 3 172.272 0.365 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+](C)C(C)(C)CN)CO1 401814246 573123311 /nfs/dbraw/zinc/12/33/11/573123311.db2.gz GFAPKXYFALISQT-BDAKNGLRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+](C)C(C)(C)CN)CO1 401814246 573123315 /nfs/dbraw/zinc/12/33/15/573123315.db2.gz GFAPKXYFALISQT-BDAKNGLRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H](C(N)=O)N1CCC[C@@H]1CCC[NH3+] 82596621 573123540 /nfs/dbraw/zinc/12/35/40/573123540.db2.gz RQGJGNXDABEFKJ-IUCAKERBSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H]1CO 308274463 573123582 /nfs/dbraw/zinc/12/35/82/573123582.db2.gz UOVZWMINGWGASL-KXUCPTDWSA-N 1 3 186.299 0.297 10 0 ACAEHO OC[C@@]1([C@H]2CC[NH2+]C2)CCCCN1 257947855 573123777 /nfs/dbraw/zinc/12/37/77/573123777.db2.gz CEVSZHGFHLOYJB-VHSXEESVSA-N 1 3 184.283 0.101 10 0 ACAEHO NC[C@]1(F)CCC[NH2+]CC1 258530709 573123847 /nfs/dbraw/zinc/12/38/47/573123847.db2.gz NHRBTGLAFLWUDF-ZETCQYMHSA-N 1 3 146.209 0.427 10 0 ACAEHO CNCN1CC[N@H+]2CCCC[C@H]2C1 259335025 573124251 /nfs/dbraw/zinc/12/42/51/573124251.db2.gz XQLOXAJFVNCPBW-JTQLQIEISA-N 1 3 183.299 0.333 10 0 ACAEHO C[C@H](O)CN[C@H](C)C[C@@H]1CCC[NH2+]1 223948849 573124213 /nfs/dbraw/zinc/12/42/13/573124213.db2.gz NDIPLMGIAVMXRT-UTLUCORTSA-N 1 3 186.299 0.487 10 0 ACAEHO CNCN1CC[N@@H+]2CCCC[C@H]2C1 259335025 573124248 /nfs/dbraw/zinc/12/42/48/573124248.db2.gz XQLOXAJFVNCPBW-JTQLQIEISA-N 1 3 183.299 0.333 10 0 ACAEHO C[C@]1([NH3+])CCCC[C@H]1CN 104652626 573124303 /nfs/dbraw/zinc/12/43/03/573124303.db2.gz OFZINBVEPSPZHZ-YUMQZZPRSA-N 1 3 142.246 0.853 10 0 ACAEHO CNCN1CC[N@@H+]2CCCC[C@@H]2C1 259335027 573125650 /nfs/dbraw/zinc/12/56/50/573125650.db2.gz XQLOXAJFVNCPBW-SNVBAGLBSA-N 1 3 183.299 0.333 10 0 ACAEHO CNCN1CC[N@H+]2CCCC[C@@H]2C1 259335027 573125654 /nfs/dbraw/zinc/12/56/54/573125654.db2.gz XQLOXAJFVNCPBW-SNVBAGLBSA-N 1 3 183.299 0.333 10 0 ACAEHO C[NH+](C)C(C)(C)[C@@H](N)[C@@H]1CCOC1 85736328 573125685 /nfs/dbraw/zinc/12/56/85/573125685.db2.gz YXCRXQQXYGKXCH-BDAKNGLRSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@H](NCCO)C(C)(C)C[NH+](C)C 308272556 573126085 /nfs/dbraw/zinc/12/60/85/573126085.db2.gz SVBYTXSSIFTKLF-VIFPVBQESA-N 1 3 188.315 0.545 10 0 ACAEHO CC[C@]1(C)C[NH2+]CC[C@H]1NC 142092232 573128334 /nfs/dbraw/zinc/12/83/34/573128334.db2.gz NOTIVFRUVAGKJJ-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@]1(O)CCNC[C@H]1C[NH+]1CCC1 257950625 573126287 /nfs/dbraw/zinc/12/62/87/573126287.db2.gz WEQLLFIFEXLMAX-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@]1(O)CCNC[C@@H]1C[NH+]1CCC1 257950627 573126534 /nfs/dbraw/zinc/12/65/34/573126534.db2.gz WEQLLFIFEXLMAX-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO Cc1nc2c(cc1C[NH3+])CNCC2 257950323 573126937 /nfs/dbraw/zinc/12/69/37/573126937.db2.gz FQJITRRVSWCHGR-UHFFFAOYSA-N 1 3 177.251 0.494 10 0 ACAEHO C[NH+](C)C(C)(C)[C@H](N)[C@H]1CCOC1 85736331 573127804 /nfs/dbraw/zinc/12/78/04/573127804.db2.gz YXCRXQQXYGKXCH-DTWKUNHWSA-N 1 3 186.299 0.690 10 0 ACAEHO CC[C@]1(C)CNCC[C@H]1[NH2+]C 142092232 573128326 /nfs/dbraw/zinc/12/83/26/573128326.db2.gz NOTIVFRUVAGKJJ-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)N1CC[C@@H]([C@@H]([NH3+])CO)C1 257950255 573128583 /nfs/dbraw/zinc/12/85/83/573128583.db2.gz AJWISNJQXZMTSL-BDAKNGLRSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)N1CC[C@H]([C@@H]([NH3+])CO)C1 257950263 573128745 /nfs/dbraw/zinc/12/87/45/573128745.db2.gz AJWISNJQXZMTSL-IUCAKERBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@]1(O)CCNC[C@H]1C[NH+]1CCC1 257950622 573128836 /nfs/dbraw/zinc/12/88/36/573128836.db2.gz WEQLLFIFEXLMAX-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO CC(C)N1CC[C@H]([C@H]([NH3+])CO)C1 257950258 573129041 /nfs/dbraw/zinc/12/90/41/573129041.db2.gz AJWISNJQXZMTSL-DTWKUNHWSA-N 1 3 172.272 0.036 10 0 ACAEHO CCC[C@@H]([NH3+])[C@@H](C)CN 259337020 573129520 /nfs/dbraw/zinc/12/95/20/573129520.db2.gz LKLISQBWOZVLBO-NKWVEPMBSA-N 1 3 130.235 0.709 10 0 ACAEHO C[NH+](C)C(C)(C)[C@H](N)[C@@H]1CCOC1 85736324 573129606 /nfs/dbraw/zinc/12/96/06/573129606.db2.gz YXCRXQQXYGKXCH-RKDXNWHRSA-N 1 3 186.299 0.690 10 0 ACAEHO CC(C)N1CC[C@@H]([C@H]([NH3+])CO)C1 257950268 573129786 /nfs/dbraw/zinc/12/97/86/573129786.db2.gz AJWISNJQXZMTSL-RKDXNWHRSA-N 1 3 172.272 0.036 10 0 ACAEHO C[NH+](C)C(C)(C)[C@@H](N)[C@H]1CCOC1 85736336 573130044 /nfs/dbraw/zinc/13/00/44/573130044.db2.gz YXCRXQQXYGKXCH-IUCAKERBSA-N 1 3 186.299 0.690 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(CCOC)[C@@H]1C 259339765 573130081 /nfs/dbraw/zinc/13/00/81/573130081.db2.gz SEVZCANRXFSGBB-ZJUUUORDSA-N 1 3 186.299 0.563 10 0 ACAEHO CCO[C@@]1(CN)CCC[N@H+](CC)C1 257949186 573130189 /nfs/dbraw/zinc/13/01/89/573130189.db2.gz VWEDICYSFVHDNZ-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CCO[C@@]1(CN)CCC[N@@H+](CC)C1 257949186 573130193 /nfs/dbraw/zinc/13/01/93/573130193.db2.gz VWEDICYSFVHDNZ-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CCO[C@@]1(C[NH3+])CCCN(CC)C1 257949186 573130201 /nfs/dbraw/zinc/13/02/01/573130201.db2.gz VWEDICYSFVHDNZ-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CC[C@](C)([NH3+])C1=NCCN1 104658590 573130682 /nfs/dbraw/zinc/13/06/82/573130682.db2.gz VORYYYKFQVNSLR-ZETCQYMHSA-N 1 3 141.218 0.116 10 0 ACAEHO CC[C@@](C)([NH3+])C1=NCCN1 104658593 573130753 /nfs/dbraw/zinc/13/07/53/573130753.db2.gz VORYYYKFQVNSLR-SSDOTTSWSA-N 1 3 141.218 0.116 10 0 ACAEHO C[NH2+]C[C@H]1CCN(CCOC)[C@@H]1C 259339760 573130758 /nfs/dbraw/zinc/13/07/58/573130758.db2.gz SEVZCANRXFSGBB-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H]1CCC[C@@H](CCN)[NH2+]1 104655336 573130887 /nfs/dbraw/zinc/13/08/87/573130887.db2.gz QKQIADWDSLKIDN-SFYZADRCSA-N 1 3 142.246 0.866 10 0 ACAEHO CCC[C@H]([NH3+])[C@@H](C)CN 259337018 573131399 /nfs/dbraw/zinc/13/13/99/573131399.db2.gz LKLISQBWOZVLBO-BQBZGAKWSA-N 1 3 130.235 0.709 10 0 ACAEHO C[C@@H]1CCC[C@H](CCN)[NH2+]1 104655328 573132064 /nfs/dbraw/zinc/13/20/64/573132064.db2.gz QKQIADWDSLKIDN-HTQZYQBOSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H]1CCC[C@H](CCN)[NH2+]1 104655333 573132188 /nfs/dbraw/zinc/13/21/88/573132188.db2.gz QKQIADWDSLKIDN-JGVFFNPUSA-N 1 3 142.246 0.866 10 0 ACAEHO C[NH2+]C[C@H]1CCN(CCOC)[C@H]1C 259339763 573134122 /nfs/dbraw/zinc/13/41/22/573134122.db2.gz SEVZCANRXFSGBB-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO CN(C)C(=[NH2+])SC(=N)N 104655381 573133523 /nfs/dbraw/zinc/13/35/23/573133523.db2.gz MMXRTZGJNUGOPD-UHFFFAOYSA-N 1 3 146.219 0.109 10 0 ACAEHO C[C@H]1CCC[C@@H](CCN)[NH2+]1 104655341 573133562 /nfs/dbraw/zinc/13/35/62/573133562.db2.gz QKQIADWDSLKIDN-YUMQZZPRSA-N 1 3 142.246 0.866 10 0 ACAEHO CCC[C@@H]([NH3+])[C@H](C)CN 259337023 573134193 /nfs/dbraw/zinc/13/41/93/573134193.db2.gz LKLISQBWOZVLBO-RNFRBKRXSA-N 1 3 130.235 0.709 10 0 ACAEHO CCCCOCCNC[C@H](C)C[NH3+] 308279997 573134456 /nfs/dbraw/zinc/13/44/56/573134456.db2.gz XGZHIDJTFQYVRU-SNVBAGLBSA-N 1 3 188.315 0.988 10 0 ACAEHO CCC[NH2+]CC1CNC1 141927945 573134600 /nfs/dbraw/zinc/13/46/00/573134600.db2.gz LFKDNHIBSNNBPM-UHFFFAOYSA-N 1 3 128.219 0.205 10 0 ACAEHO CC[N@@H+]1CC[C@@H](N)[C@@H]1COC 642851619 573134707 /nfs/dbraw/zinc/13/47/07/573134707.db2.gz XQAMSKGWYNUAFV-SFYZADRCSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[N@H+]1CC[C@@H](N)[C@@H]1COC 642851619 573134711 /nfs/dbraw/zinc/13/47/11/573134711.db2.gz XQAMSKGWYNUAFV-SFYZADRCSA-N 1 3 158.245 0.054 10 0 ACAEHO C[C@@H](C[NH3+])CNCCn1cccn1 308277591 573134822 /nfs/dbraw/zinc/13/48/22/573134822.db2.gz WIRISZJYQBJQSV-VIFPVBQESA-N 1 3 182.271 0.068 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(CCOC)[C@H]1C 259339762 573135462 /nfs/dbraw/zinc/13/54/62/573135462.db2.gz SEVZCANRXFSGBB-UWVGGRQHSA-N 1 3 186.299 0.563 10 0 ACAEHO CC1(C)CNCC(C)(C)C1[NH3+] 141901676 573135360 /nfs/dbraw/zinc/13/53/60/573135360.db2.gz ZQSAMGRSVRALFG-UHFFFAOYSA-N 1 3 156.273 0.969 10 0 ACAEHO [NH3+]CCCNC[C@@H]1CC[C@H](C2CC2)O1 715498165 573136255 /nfs/dbraw/zinc/13/62/55/573136255.db2.gz SPLDTSGJNNXZRN-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO NCCC[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 715498165 573136259 /nfs/dbraw/zinc/13/62/59/573136259.db2.gz SPLDTSGJNNXZRN-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO C[N@@H+]1CC[C@@H](CC[C@@H]2CNCCO2)C1 259344834 573136820 /nfs/dbraw/zinc/13/68/20/573136820.db2.gz TWUDLZAIWTWEHT-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@@H](CC[C@@H]2CNCCO2)C1 259344834 573136826 /nfs/dbraw/zinc/13/68/26/573136826.db2.gz TWUDLZAIWTWEHT-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO CCCCOCCNC[C@@H](C)C[NH3+] 308279992 573136839 /nfs/dbraw/zinc/13/68/39/573136839.db2.gz XGZHIDJTFQYVRU-JTQLQIEISA-N 1 3 188.315 0.988 10 0 ACAEHO C1CC[C@H](CNC2=NCCS2)[NH2+]C1 258235460 573136894 /nfs/dbraw/zinc/13/68/94/573136894.db2.gz ZTLZSUMZGYTWNQ-MRVPVSSYSA-N 1 3 199.323 0.821 10 0 ACAEHO C[C@H](C[NH3+])CNCCn1cccn1 308277588 573137035 /nfs/dbraw/zinc/13/70/35/573137035.db2.gz WIRISZJYQBJQSV-SECBINFHSA-N 1 3 182.271 0.068 10 0 ACAEHO CN[C@H](C)C1=CCC[N@H+](C)C1 258235693 573137468 /nfs/dbraw/zinc/13/74/68/573137468.db2.gz WUEGIMVBZUTYOP-MRVPVSSYSA-N 1 3 154.257 0.856 10 0 ACAEHO CN[C@H](C)C1=CCC[N@@H+](C)C1 258235693 573137473 /nfs/dbraw/zinc/13/74/73/573137473.db2.gz WUEGIMVBZUTYOP-MRVPVSSYSA-N 1 3 154.257 0.856 10 0 ACAEHO C[N@@H+]1CC[C@H](CC[C@@H]2CNCCO2)C1 259344842 573138023 /nfs/dbraw/zinc/13/80/23/573138023.db2.gz TWUDLZAIWTWEHT-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@H](CC[C@@H]2CNCCO2)C1 259344842 573138032 /nfs/dbraw/zinc/13/80/32/573138032.db2.gz TWUDLZAIWTWEHT-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO [NH3+]CCCNC[C@@H]1CC[C@@H](C2CC2)O1 715498160 573138129 /nfs/dbraw/zinc/13/81/29/573138129.db2.gz SPLDTSGJNNXZRN-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO NCCC[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 715498160 573138135 /nfs/dbraw/zinc/13/81/35/573138135.db2.gz SPLDTSGJNNXZRN-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO CN1CC[C@H](C(=O)[C@H]2CCC[NH2+]2)C1 259342478 573138237 /nfs/dbraw/zinc/13/82/37/573138237.db2.gz ZEDMZSQRGFTZOY-DTWKUNHWSA-N 1 3 182.267 0.259 10 0 ACAEHO C[C@H]([NH2+]C1CCC(O)CC1)C1CNC1 686238729 573139004 /nfs/dbraw/zinc/13/90/04/573139004.db2.gz RDZUZTWYYHYMPT-PUSIOWJLSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1CN(C)CCN1C/C=C/C[NH3+] 235485509 573138549 /nfs/dbraw/zinc/13/85/49/573138549.db2.gz RGZBSZAVCSSLCR-HMDXOVGESA-N 1 3 183.299 0.137 10 0 ACAEHO [NH3+]CCCNC[C@H]1CC[C@@H](C2CC2)O1 715498158 573138754 /nfs/dbraw/zinc/13/87/54/573138754.db2.gz SPLDTSGJNNXZRN-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO NCCC[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 715498158 573138761 /nfs/dbraw/zinc/13/87/61/573138761.db2.gz SPLDTSGJNNXZRN-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]([NH2+]C1CCC(O)CC1)C1CNC1 686238727 573138877 /nfs/dbraw/zinc/13/88/77/573138877.db2.gz RDZUZTWYYHYMPT-MFAVDMRSSA-N 1 3 198.310 0.487 10 0 ACAEHO NC[C@@H]1C[N@@H+](C2CCCC2)CCN1 259342280 573139075 /nfs/dbraw/zinc/13/90/75/573139075.db2.gz SKUDDZQSJNDOEP-SECBINFHSA-N 1 3 183.299 0.162 10 0 ACAEHO NC[C@@H]1C[N@H+](C2CCCC2)CCN1 259342280 573139080 /nfs/dbraw/zinc/13/90/80/573139080.db2.gz SKUDDZQSJNDOEP-SECBINFHSA-N 1 3 183.299 0.162 10 0 ACAEHO C[N@@H+]1CC[C@@H](CC[C@H]2CNCCO2)C1 259344837 573139116 /nfs/dbraw/zinc/13/91/16/573139116.db2.gz TWUDLZAIWTWEHT-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@@H](CC[C@H]2CNCCO2)C1 259344837 573139119 /nfs/dbraw/zinc/13/91/19/573139119.db2.gz TWUDLZAIWTWEHT-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CN[C@@H](C)C1=CCC[N@H+](C)C1 258235694 573139233 /nfs/dbraw/zinc/13/92/33/573139233.db2.gz WUEGIMVBZUTYOP-QMMMGPOBSA-N 1 3 154.257 0.856 10 0 ACAEHO CN[C@@H](C)C1=CCC[N@@H+](C)C1 258235694 573139238 /nfs/dbraw/zinc/13/92/38/573139238.db2.gz WUEGIMVBZUTYOP-QMMMGPOBSA-N 1 3 154.257 0.856 10 0 ACAEHO C[N@H+]1C2(CCNCC2)CC[C@]1(C)CO 215078092 573139667 /nfs/dbraw/zinc/13/96/67/573139667.db2.gz QUXNEMMCGOPWKH-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO C[N@@H+]1C2(CCNCC2)CC[C@]1(C)CO 215078092 573139671 /nfs/dbraw/zinc/13/96/71/573139671.db2.gz QUXNEMMCGOPWKH-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@@H]2CCC[NH2+]2)C1 259342475 573139724 /nfs/dbraw/zinc/13/97/24/573139724.db2.gz ZEDMZSQRGFTZOY-BDAKNGLRSA-N 1 3 182.267 0.259 10 0 ACAEHO C[C@@](F)(CN)[C@@H]1CCC[NH2+]C1 258545660 573139969 /nfs/dbraw/zinc/13/99/69/573139969.db2.gz OXRXZXQIWJJUKN-HTQZYQBOSA-N 1 3 160.236 0.673 10 0 ACAEHO CC1(F)C2CNCC1C[NH2+]C2 258545591 573140327 /nfs/dbraw/zinc/14/03/27/573140327.db2.gz OWRFAWVJOUFZSP-UHFFFAOYSA-N 1 3 158.220 0.153 10 0 ACAEHO C[N@@H+]1CC[C@H](CC[C@H]2CNCCO2)C1 259344840 573140392 /nfs/dbraw/zinc/14/03/92/573140392.db2.gz TWUDLZAIWTWEHT-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@H](CC[C@H]2CNCCO2)C1 259344840 573140394 /nfs/dbraw/zinc/14/03/94/573140394.db2.gz TWUDLZAIWTWEHT-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CC(C)(O)CN1CCC[C@H]1C[NH3+] 82633891 573140578 /nfs/dbraw/zinc/14/05/78/573140578.db2.gz KKVPGMXJNGGHLX-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](C[NH3+])CNCCN(C)C 258548232 573140822 /nfs/dbraw/zinc/14/08/22/573140822.db2.gz AAXPVQJBZNUVBA-VIFPVBQESA-N 1 3 173.304 0.123 10 0 ACAEHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H](C)O 235490107 573140961 /nfs/dbraw/zinc/14/09/61/573140961.db2.gz OVUDETBHGCFJCG-KXUCPTDWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H](C)O 235490107 573140971 /nfs/dbraw/zinc/14/09/71/573140971.db2.gz OVUDETBHGCFJCG-KXUCPTDWSA-N 1 3 186.299 0.569 10 0 ACAEHO C1CC[C@@H](CNC2=NCCS2)[NH2+]C1 258235464 573141058 /nfs/dbraw/zinc/14/10/58/573141058.db2.gz ZTLZSUMZGYTWNQ-QMMMGPOBSA-N 1 3 199.323 0.821 10 0 ACAEHO CC(C)(O)CN1CCC[C@@H]1C[NH3+] 82633889 573141104 /nfs/dbraw/zinc/14/11/04/573141104.db2.gz KKVPGMXJNGGHLX-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@H](C)[N@@H+]1CCN[C@@H](CN)C1 259342313 573141363 /nfs/dbraw/zinc/14/13/63/573141363.db2.gz SKYGSZWRZWEWGY-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO CC[C@@H](C)[N@H+]1CCN[C@@H](CN)C1 259342313 573141369 /nfs/dbraw/zinc/14/13/69/573141369.db2.gz SKYGSZWRZWEWGY-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@](F)(CN)[C@H]1CCC[NH2+]C1 258545663 573142427 /nfs/dbraw/zinc/14/24/27/573142427.db2.gz OXRXZXQIWJJUKN-YUMQZZPRSA-N 1 3 160.236 0.673 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@H]2CCC[NH2+]2)C1 259342483 573142172 /nfs/dbraw/zinc/14/21/72/573142172.db2.gz ZEDMZSQRGFTZOY-RKDXNWHRSA-N 1 3 182.267 0.259 10 0 ACAEHO C[C@@](F)(CN)[C@H]1CCC[NH2+]C1 258545661 573142197 /nfs/dbraw/zinc/14/21/97/573142197.db2.gz OXRXZXQIWJJUKN-JGVFFNPUSA-N 1 3 160.236 0.673 10 0 ACAEHO NC[C@H]1C[N@@H+](C2CCCC2)CCN1 259342282 573142398 /nfs/dbraw/zinc/14/23/98/573142398.db2.gz SKUDDZQSJNDOEP-VIFPVBQESA-N 1 3 183.299 0.162 10 0 ACAEHO NC[C@H]1C[N@H+](C2CCCC2)CCN1 259342282 573142405 /nfs/dbraw/zinc/14/24/05/573142405.db2.gz SKUDDZQSJNDOEP-VIFPVBQESA-N 1 3 183.299 0.162 10 0 ACAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H](C)O 235488652 573142656 /nfs/dbraw/zinc/14/26/56/573142656.db2.gz OVUDETBHGCFJCG-UTLUCORTSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H](C)O 235488652 573142665 /nfs/dbraw/zinc/14/26/65/573142665.db2.gz OVUDETBHGCFJCG-UTLUCORTSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[C@](C)(N[C@H]1CC[C@H]([NH3+])C1)C(N)=O 308503822 573142705 /nfs/dbraw/zinc/14/27/05/573142705.db2.gz XVDXVOHOXVXUTI-NRPADANISA-N 1 3 199.298 0.110 10 0 ACAEHO CC[C@H](C[NH3+])CNCCN(C)C 258548228 573142733 /nfs/dbraw/zinc/14/27/33/573142733.db2.gz AAXPVQJBZNUVBA-SECBINFHSA-N 1 3 173.304 0.123 10 0 ACAEHO C[C@](F)(CN)[C@@H]1CCC[NH2+]C1 258545662 573142837 /nfs/dbraw/zinc/14/28/37/573142837.db2.gz OXRXZXQIWJJUKN-SFYZADRCSA-N 1 3 160.236 0.673 10 0 ACAEHO C[NH2+]CC1(CNC2CC2)CC1 258548211 573142925 /nfs/dbraw/zinc/14/29/25/573142925.db2.gz AAMGDVQJRCBGNU-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO CNCC1(C[NH2+]C2CC2)CC1 258548211 573142930 /nfs/dbraw/zinc/14/29/30/573142930.db2.gz AAMGDVQJRCBGNU-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO C[C@@H](CNC(C)(C)C[NH3+])n1cccn1 308503460 573143046 /nfs/dbraw/zinc/14/30/46/573143046.db2.gz XSOXKVINMDJYHO-VIFPVBQESA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CC[C@@](C)(O)C1 235492789 573143719 /nfs/dbraw/zinc/14/37/19/573143719.db2.gz TZIWKZUMOHNSIT-VXNVDRBHSA-N 1 3 185.271 0.158 10 0 ACAEHO C[C@H](CNC(C)(C)C[NH3+])n1cccn1 308503459 573143777 /nfs/dbraw/zinc/14/37/77/573143777.db2.gz XSOXKVINMDJYHO-SECBINFHSA-N 1 3 196.298 0.771 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CCN(C)C[C@@H]1C 235497712 573143933 /nfs/dbraw/zinc/14/39/33/573143933.db2.gz RYKPCYTZWBJJKI-AXFHLTTASA-N 1 3 199.342 0.748 10 0 ACAEHO N[C@@H](CO)CCNC1=[NH+]CCCCC1 215076351 573144009 /nfs/dbraw/zinc/14/40/09/573144009.db2.gz WAFZRBKDVUNAIZ-SECBINFHSA-N 1 3 199.298 0.258 10 0 ACAEHO NCC(C[NH3+])Cc1ccco1 258481442 573144055 /nfs/dbraw/zinc/14/40/55/573144055.db2.gz YVDMZLVGAVPKSI-UHFFFAOYSA-N 1 3 154.213 0.356 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN1CCN(C)C[C@@H]1C 235490957 573144251 /nfs/dbraw/zinc/14/42/51/573144251.db2.gz KMYBEGSRXUBPBV-VWYCJHECSA-N 1 3 199.342 0.606 10 0 ACAEHO CN[C@H](CC[NH3+])c1cc[nH]c1 259343626 573144732 /nfs/dbraw/zinc/14/47/32/573144732.db2.gz JNPNMFMHRIBCEC-MRVPVSSYSA-N 1 3 153.229 0.624 10 0 ACAEHO CN1CC[C@H](OCCC[NH2+]C2CC2)C1 308502377 573144921 /nfs/dbraw/zinc/14/49/21/573144921.db2.gz XENPBNNGMLITKV-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CC[C@H](C)[N@@H+]1CCN[C@H](CN)C1 259343672 573145080 /nfs/dbraw/zinc/14/50/80/573145080.db2.gz SKYGSZWRZWEWGY-DTWKUNHWSA-N 1 3 171.288 0.017 10 0 ACAEHO CC[C@H](C)[N@H+]1CCN[C@H](CN)C1 259343672 573145086 /nfs/dbraw/zinc/14/50/86/573145086.db2.gz SKYGSZWRZWEWGY-DTWKUNHWSA-N 1 3 171.288 0.017 10 0 ACAEHO C[NH2+]Cc1ccc(CN)nc1 258548469 573145247 /nfs/dbraw/zinc/14/52/47/573145247.db2.gz PERDTLRNHCRCBV-UHFFFAOYSA-N 1 3 151.213 0.260 10 0 ACAEHO CC[C@](C)(N[C@@H]1CC[C@H]([NH3+])C1)C(N)=O 308503824 573145758 /nfs/dbraw/zinc/14/57/58/573145758.db2.gz XVDXVOHOXVXUTI-XKSSXDPKSA-N 1 3 199.298 0.110 10 0 ACAEHO O[C@H](C[NH+]1CCCC1)[C@@H]1CCCCN1 259346336 573146614 /nfs/dbraw/zinc/14/66/14/573146614.db2.gz PIHXXQWSTOCRQA-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO CC[C@](C)(N[C@H]1CC[C@@H]([NH3+])C1)C(N)=O 308503823 573145607 /nfs/dbraw/zinc/14/56/07/573145607.db2.gz XVDXVOHOXVXUTI-WEDXCCLWSA-N 1 3 199.298 0.110 10 0 ACAEHO CN1CC[C@@H](OCCC[NH2+]C2CC2)C1 308502376 573145668 /nfs/dbraw/zinc/14/56/68/573145668.db2.gz XENPBNNGMLITKV-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]([NH3+])CCN[C@@]1(C)CCO[C@@H]1C 235488874 573145799 /nfs/dbraw/zinc/14/57/99/573145799.db2.gz QKUQWRASPMYUOP-AEJSXWLSSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN1CCN(C)C[C@@H]1C 235490736 573145855 /nfs/dbraw/zinc/14/58/55/573145855.db2.gz KMYBEGSRXUBPBV-DCAQKATOSA-N 1 3 199.342 0.606 10 0 ACAEHO O[C@@H](C[NH+]1CCCC1)[C@@H]1CCCCN1 259346335 573145979 /nfs/dbraw/zinc/14/59/79/573145979.db2.gz PIHXXQWSTOCRQA-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 82645607 573146514 /nfs/dbraw/zinc/14/65/14/573146514.db2.gz FLZCHWSUNZTYBS-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](C)[N@@H+]1CCN[C@H](CN)C1 259343679 573146564 /nfs/dbraw/zinc/14/65/64/573146564.db2.gz SKYGSZWRZWEWGY-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO CC[C@@H](C)[N@H+]1CCN[C@H](CN)C1 259343679 573146570 /nfs/dbraw/zinc/14/65/70/573146570.db2.gz SKYGSZWRZWEWGY-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO O[C@@H](C[NH+]1CCCC1)[C@H]1CCCCN1 259346333 573147887 /nfs/dbraw/zinc/14/78/87/573147887.db2.gz PIHXXQWSTOCRQA-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C1C[C@@H]2[C@@H]3[NH2+]CC[C@@H]3CCN2C1 257742807 573147947 /nfs/dbraw/zinc/14/79/47/573147947.db2.gz OIVPCVFUNFDHFS-OPRDCNLKSA-N 1 3 166.268 0.833 10 0 ACAEHO O[C@H](C[NH+]1CCCC1)[C@H]1CCCCN1 259346331 573148777 /nfs/dbraw/zinc/14/87/77/573148777.db2.gz PIHXXQWSTOCRQA-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CCC2(CC1)CC[C@](C)(CO)[NH2+]2 215078208 573148853 /nfs/dbraw/zinc/14/88/53/573148853.db2.gz YNRXGEIDDGVFAE-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO CC[C@H](C)[N@@H+]1CCN[C@@H](CN)C1 259343676 573148863 /nfs/dbraw/zinc/14/88/63/573148863.db2.gz SKYGSZWRZWEWGY-IUCAKERBSA-N 1 3 171.288 0.017 10 0 ACAEHO CC[C@H](C)[N@H+]1CCN[C@@H](CN)C1 259343676 573148868 /nfs/dbraw/zinc/14/88/68/573148868.db2.gz SKYGSZWRZWEWGY-IUCAKERBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[NH2+]CC=C1CCN(C)CC1 259342688 573148991 /nfs/dbraw/zinc/14/89/91/573148991.db2.gz PERSYZWNBZPGBU-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO CN1CC([C@H](F)CC[NH3+])C1 258541418 573149481 /nfs/dbraw/zinc/14/94/81/573149481.db2.gz OLJAEZYQTTVFAN-SSDOTTSWSA-N 1 3 146.209 0.235 10 0 ACAEHO OC[C@@H]1C[NH2+]CC[C@H]1N1CCCCC1 215078429 573149596 /nfs/dbraw/zinc/14/95/96/573149596.db2.gz CGKJBOQQNXZHKX-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](N)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 85800210 573149650 /nfs/dbraw/zinc/14/96/50/573149650.db2.gz LPYWDPMQQLZMTE-DJLDLDEBSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@H](N)[C@H]1C[N@H+]2CCC[C@@H]2CO1 85800210 573149656 /nfs/dbraw/zinc/14/96/56/573149656.db2.gz LPYWDPMQQLZMTE-DJLDLDEBSA-N 1 3 170.256 0.197 10 0 ACAEHO OC[C@H]1C[NH2+]CC[C@@H]1N1CCCCC1 215078381 573149728 /nfs/dbraw/zinc/14/97/28/573149728.db2.gz CGKJBOQQNXZHKX-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CN(C)CCN(C)C[C@@H]([NH3+])CC1CC1 308505115 573149908 /nfs/dbraw/zinc/14/99/08/573149908.db2.gz YOCFOKOUKJBWOM-NSHDSACASA-N 1 3 199.342 0.607 10 0 ACAEHO CN1CCC2(CC1)CC[C@@](C)(CO)[NH2+]2 215078261 573150603 /nfs/dbraw/zinc/15/06/03/573150603.db2.gz YNRXGEIDDGVFAE-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO C[N@H+]1C2(CCNCC2)CC[C@@]1(C)CO 215078141 573152029 /nfs/dbraw/zinc/15/20/29/573152029.db2.gz QUXNEMMCGOPWKH-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO C[N@@H+]1C2(CCNCC2)CC[C@@]1(C)CO 215078141 573152030 /nfs/dbraw/zinc/15/20/30/573152030.db2.gz QUXNEMMCGOPWKH-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@H](N)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 85800214 573151378 /nfs/dbraw/zinc/15/13/78/573151378.db2.gz LPYWDPMQQLZMTE-IWSPIJDZSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@@H](N)[C@H]1C[N@H+]2CCC[C@@H]2CO1 85800214 573151383 /nfs/dbraw/zinc/15/13/83/573151383.db2.gz LPYWDPMQQLZMTE-IWSPIJDZSA-N 1 3 170.256 0.197 10 0 ACAEHO OC[C@H]1C[NH2+]CC[C@H]1N1CCCCC1 215078335 573151778 /nfs/dbraw/zinc/15/17/78/573151778.db2.gz CGKJBOQQNXZHKX-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CN1CC[C@]2(CC[C@@H](CC[NH3+])O2)C1 686240883 573151920 /nfs/dbraw/zinc/15/19/20/573151920.db2.gz HWYQNANGSVWNFV-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO CN1CCC[C@H]1[C@@H](F)CC[NH3+] 238291651 573151925 /nfs/dbraw/zinc/15/19/25/573151925.db2.gz MSFAQDCGULUULY-YUMQZZPRSA-N 1 3 160.236 0.768 10 0 ACAEHO CN(C)CC(C)(C)C1=[NH+]CCN1 238292015 573152008 /nfs/dbraw/zinc/15/20/08/573152008.db2.gz HMZRTXSQBPLYNY-UHFFFAOYSA-N 1 3 169.272 0.576 10 0 ACAEHO CN1CCN[C@H](CC[NH2+]C2CC2)C1 258554807 573152214 /nfs/dbraw/zinc/15/22/14/573152214.db2.gz AXOJPMPIGRQUTQ-SNVBAGLBSA-N 1 3 183.299 0.032 10 0 ACAEHO CC[NH2+][C@@H]1CCCNCC1 82666746 573152453 /nfs/dbraw/zinc/15/24/53/573152453.db2.gz SKTMHKFZROBWBL-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO C[C@H](N)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 85800208 573152882 /nfs/dbraw/zinc/15/28/82/573152882.db2.gz LPYWDPMQQLZMTE-YIZRAAEISA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@H](N)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 85800208 573152887 /nfs/dbraw/zinc/15/28/87/573152887.db2.gz LPYWDPMQQLZMTE-YIZRAAEISA-N 1 3 170.256 0.197 10 0 ACAEHO CN1CC[C@@H](C(=O)C[C@H]2CC[NH2+]C2)C1 259347457 573152918 /nfs/dbraw/zinc/15/29/18/573152918.db2.gz ZMUQZDPFGVURDH-NXEZZACHSA-N 1 3 196.294 0.507 10 0 ACAEHO C[C@@H](N)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 85800209 573153203 /nfs/dbraw/zinc/15/32/03/573153203.db2.gz LPYWDPMQQLZMTE-HLTSFMKQSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@@H](N)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 85800209 573153209 /nfs/dbraw/zinc/15/32/09/573153209.db2.gz LPYWDPMQQLZMTE-HLTSFMKQSA-N 1 3 170.256 0.197 10 0 ACAEHO CN1CCN[C@@H](CC[NH2+]C2CC2)C1 258554803 573153541 /nfs/dbraw/zinc/15/35/41/573153541.db2.gz AXOJPMPIGRQUTQ-JTQLQIEISA-N 1 3 183.299 0.032 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@H](F)CN)C1 258544067 573154621 /nfs/dbraw/zinc/15/46/21/573154621.db2.gz OVFCOHPRUDNIOY-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@@H](F)CN)C1 258544070 573154481 /nfs/dbraw/zinc/15/44/81/573154481.db2.gz OVFCOHPRUDNIOY-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@@H](F)CN)C1 258544070 573154486 /nfs/dbraw/zinc/15/44/86/573154486.db2.gz OVFCOHPRUDNIOY-SFYZADRCSA-N 1 3 160.236 0.625 10 0 ACAEHO C1C[NH2+]CC[C@H](N2CCCOCC2)C1 82666893 573154572 /nfs/dbraw/zinc/15/45/72/573154572.db2.gz SSEOZGMDHPKSLU-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@H](F)CN)C1 258544067 573154616 /nfs/dbraw/zinc/15/46/16/573154616.db2.gz OVFCOHPRUDNIOY-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CCC[C@]2(CC1)C[C@@H](O)CCN2 238293071 573154770 /nfs/dbraw/zinc/15/47/70/573154770.db2.gz VPYYJRSNMQCWPP-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CCC[C@]2(CC1)C[C@@H](O)CC[NH2+]2 238293071 573154753 /nfs/dbraw/zinc/15/47/53/573154753.db2.gz VPYYJRSNMQCWPP-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO C[N@@H+]1CCC[C@]2(CC1)C[C@@H](O)CCN2 238293071 573154760 /nfs/dbraw/zinc/15/47/60/573154760.db2.gz VPYYJRSNMQCWPP-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO CN(C)Cc1ccnc(C[NH3+])c1 82668312 573155097 /nfs/dbraw/zinc/15/50/97/573155097.db2.gz MMKRYEPPFMFFPJ-UHFFFAOYSA-N 1 3 165.240 0.602 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@@H](F)CN)C1 258554465 573155213 /nfs/dbraw/zinc/15/52/13/573155213.db2.gz PSPUKMRNIWHITN-BQBZGAKWSA-N 1 3 146.209 0.235 10 0 ACAEHO C[N@H+]1CC[C@H]([C@@H](F)CN)C1 258554465 573155216 /nfs/dbraw/zinc/15/52/16/573155216.db2.gz PSPUKMRNIWHITN-BQBZGAKWSA-N 1 3 146.209 0.235 10 0 ACAEHO CN1CC[C@@]2(CC[C@H](CC[NH3+])O2)C1 686240884 573155479 /nfs/dbraw/zinc/15/54/79/573155479.db2.gz HWYQNANGSVWNFV-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO CCCCNCN1CC[NH2+]CC1 258555012 573155495 /nfs/dbraw/zinc/15/54/95/573155495.db2.gz BAZXPHHWSCBBTO-UHFFFAOYSA-N 1 3 171.288 0.239 10 0 ACAEHO CN1CC[C@@]2(CC[C@@H](CC[NH3+])O2)C1 686240882 573155591 /nfs/dbraw/zinc/15/55/91/573155591.db2.gz HWYQNANGSVWNFV-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@H](F)CN)C1 258544061 573155699 /nfs/dbraw/zinc/15/56/99/573155699.db2.gz OVFCOHPRUDNIOY-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@H](F)CN)C1 258544061 573155702 /nfs/dbraw/zinc/15/57/02/573155702.db2.gz OVFCOHPRUDNIOY-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C1C[NH2+]CC[C@@H](NC2CC2)C1 82666752 573155787 /nfs/dbraw/zinc/15/57/87/573155787.db2.gz XVWYVWGRWVMZSX-QMMMGPOBSA-N 1 3 154.257 0.881 10 0 ACAEHO C1CNCC[C@@H]([NH2+]C2CC2)C1 82666752 573155795 /nfs/dbraw/zinc/15/57/95/573155795.db2.gz XVWYVWGRWVMZSX-QMMMGPOBSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@](C)(O)C1CC1 308282418 573156093 /nfs/dbraw/zinc/15/60/93/573156093.db2.gz YKXUPHGHCQOYAP-SCZZXKLOSA-N 1 3 186.299 0.332 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@H](F)CN)C1 258554467 573156356 /nfs/dbraw/zinc/15/63/56/573156356.db2.gz PSPUKMRNIWHITN-RQJHMYQMSA-N 1 3 146.209 0.235 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@H](F)CN)C1 258554467 573156365 /nfs/dbraw/zinc/15/63/65/573156365.db2.gz PSPUKMRNIWHITN-RQJHMYQMSA-N 1 3 146.209 0.235 10 0 ACAEHO CN1CC[C@H](C(=O)C[C@H]2CC[NH2+]C2)C1 259347467 573156534 /nfs/dbraw/zinc/15/65/34/573156534.db2.gz ZMUQZDPFGVURDH-ZJUUUORDSA-N 1 3 196.294 0.507 10 0 ACAEHO CN1CC[C@@H](C(=O)C[C@@H]2CC[NH2+]C2)C1 259347464 573156584 /nfs/dbraw/zinc/15/65/84/573156584.db2.gz ZMUQZDPFGVURDH-VHSXEESVSA-N 1 3 196.294 0.507 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CCN(C)C[C@@H]1C 235501840 573156741 /nfs/dbraw/zinc/15/67/41/573156741.db2.gz RYKPCYTZWBJJKI-DCAQKATOSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H](N)[C@@]1(F)CCC[NH2+]C1 258554532 573158024 /nfs/dbraw/zinc/15/80/24/573158024.db2.gz PVAKLVCQIFHIAD-NKWVEPMBSA-N 1 3 146.209 0.425 10 0 ACAEHO C[C@@H](N)[C@@]1(F)CCC[NH2+]C1 258554534 573158174 /nfs/dbraw/zinc/15/81/74/573158174.db2.gz PVAKLVCQIFHIAD-RNFRBKRXSA-N 1 3 146.209 0.425 10 0 ACAEHO C[N@@H+]1CCC[C@]2(CO)CNCC[C@@H]12 238293104 573158200 /nfs/dbraw/zinc/15/82/00/573158200.db2.gz JVQOVMPNJMBCSJ-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[N@H+]1CCC[C@]2(CO)CNCC[C@@H]12 238293104 573158202 /nfs/dbraw/zinc/15/82/02/573158202.db2.gz JVQOVMPNJMBCSJ-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H](N)[C@]1(F)CCC[NH2+]C1 258554530 573158373 /nfs/dbraw/zinc/15/83/73/573158373.db2.gz PVAKLVCQIFHIAD-BQBZGAKWSA-N 1 3 146.209 0.425 10 0 ACAEHO C[C@@H](N)[C@]1(F)CCC[NH2+]C1 258554536 573158415 /nfs/dbraw/zinc/15/84/15/573158415.db2.gz PVAKLVCQIFHIAD-RQJHMYQMSA-N 1 3 146.209 0.425 10 0 ACAEHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(N)=O 393615924 573158440 /nfs/dbraw/zinc/15/84/40/573158440.db2.gz KFQLTPWZZKGHMW-HLTSFMKQSA-N 1 3 199.298 0.110 10 0 ACAEHO F[C@@H]1CC[NH2+]C12CCNCC2 258236771 573158629 /nfs/dbraw/zinc/15/86/29/573158629.db2.gz ZZLYXUOIFCEVNO-SSDOTTSWSA-N 1 3 158.220 0.440 10 0 ACAEHO COC(=O)C[C@H](C)NC[C@@H](C)C[NH3+] 308284706 573158838 /nfs/dbraw/zinc/15/88/38/573158838.db2.gz ZZBGODLIAIWWEH-YUMQZZPRSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN 308284706 573158845 /nfs/dbraw/zinc/15/88/45/573158845.db2.gz ZZBGODLIAIWWEH-YUMQZZPRSA-N 1 3 188.271 0.122 10 0 ACAEHO C1CO[C@@H](CC2CC[NH2+]CC2)N1 258237089 573158867 /nfs/dbraw/zinc/15/88/67/573158867.db2.gz ZFAKARSMCLHLOJ-VIFPVBQESA-N 1 3 170.256 0.322 10 0 ACAEHO CN1CCC2(CC[C@H](CO)[NH2+]2)CC1 215084006 573159436 /nfs/dbraw/zinc/15/94/36/573159436.db2.gz XQJKTXYYGGPNTD-SECBINFHSA-N 1 3 184.283 0.195 10 0 ACAEHO CNC[C@H](F)[C@H]1CCC[NH2+]C1 258562205 573159967 /nfs/dbraw/zinc/15/99/67/573159967.db2.gz QQQXVJKYEZJNCA-YUMQZZPRSA-N 1 3 160.236 0.544 10 0 ACAEHO CN(C)CCc1ncc(CC[NH3+])s1 259348964 573159612 /nfs/dbraw/zinc/15/96/12/573159612.db2.gz UENKCTBKRXIHMD-UHFFFAOYSA-N 1 3 199.323 0.748 10 0 ACAEHO C[NH2+][C@@H](C)CN(C)[C@H]1CCN(C)C1 308284695 573159704 /nfs/dbraw/zinc/15/97/04/573159704.db2.gz ZYUALZNSWPXDEH-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN1CCC2(CC[C@@H](CO)[NH2+]2)CC1 215084052 573159738 /nfs/dbraw/zinc/15/97/38/573159738.db2.gz XQJKTXYYGGPNTD-VIFPVBQESA-N 1 3 184.283 0.195 10 0 ACAEHO COC(=O)C[C@H](C)NC[C@H](C)C[NH3+] 308284705 573159751 /nfs/dbraw/zinc/15/97/51/573159751.db2.gz ZZBGODLIAIWWEH-SFYZADRCSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)C[C@H](C)[NH2+]C[C@H](C)CN 308284705 573159757 /nfs/dbraw/zinc/15/97/57/573159757.db2.gz ZZBGODLIAIWWEH-SFYZADRCSA-N 1 3 188.271 0.122 10 0 ACAEHO C[NH2+][C@H](C)CN(C)[C@@H]1CCN(C)C1 308284694 573159805 /nfs/dbraw/zinc/15/98/05/573159805.db2.gz ZYUALZNSWPXDEH-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN(C)[C@@]12CC[C@@H](C1)[C@@H]1C[NH2+]C[C@@H]12 238294773 573160933 /nfs/dbraw/zinc/16/09/33/573160933.db2.gz JKXRHGCUEUZWPE-NAKRPEOUSA-N 1 3 180.295 0.936 10 0 ACAEHO C1CO[C@H](CC2CC[NH2+]CC2)N1 258237086 573160216 /nfs/dbraw/zinc/16/02/16/573160216.db2.gz ZFAKARSMCLHLOJ-SECBINFHSA-N 1 3 170.256 0.322 10 0 ACAEHO CCN(CC)[C@@H]1CC[NH2+]C[C@H]1CO 215081910 573160263 /nfs/dbraw/zinc/16/02/63/573160263.db2.gz SCLHKOLXUNPMGB-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+][C@H](C)CN(C)[C@H]1CCN(C)C1 308284697 573160938 /nfs/dbraw/zinc/16/09/38/573160938.db2.gz ZYUALZNSWPXDEH-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO CN1CC[C@@H](C(=O)C2(C[NH3+])CC2)C1 259350253 573160329 /nfs/dbraw/zinc/16/03/29/573160329.db2.gz ZVXBQBFFECXUPC-MRVPVSSYSA-N 1 3 182.267 0.246 10 0 ACAEHO F[C@H]1CC[NH2+]C12CCNCC2 258236772 573160449 /nfs/dbraw/zinc/16/04/49/573160449.db2.gz ZZLYXUOIFCEVNO-ZETCQYMHSA-N 1 3 158.220 0.440 10 0 ACAEHO CNC[C@@H](F)[C@H]1CCC[NH2+]C1 258562198 573160692 /nfs/dbraw/zinc/16/06/92/573160692.db2.gz QQQXVJKYEZJNCA-JGVFFNPUSA-N 1 3 160.236 0.544 10 0 ACAEHO CO[C@]1(C[NH3+])CCN(C2CC2)C1 258560060 573160995 /nfs/dbraw/zinc/16/09/95/573160995.db2.gz QJGVGEJFJRYEFD-VIFPVBQESA-N 1 3 170.256 0.198 10 0 ACAEHO CO[C@]1(CN)CC[N@@H+](C2CC2)C1 258560060 573161003 /nfs/dbraw/zinc/16/10/03/573161003.db2.gz QJGVGEJFJRYEFD-VIFPVBQESA-N 1 3 170.256 0.198 10 0 ACAEHO CO[C@]1(CN)CC[N@H+](C2CC2)C1 258560060 573161008 /nfs/dbraw/zinc/16/10/08/573161008.db2.gz QJGVGEJFJRYEFD-VIFPVBQESA-N 1 3 170.256 0.198 10 0 ACAEHO CCN(CC)[C@@H]1CC[NH2+]C[C@@H]1CO 215081822 573161045 /nfs/dbraw/zinc/16/10/45/573161045.db2.gz SCLHKOLXUNPMGB-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO OC[C@H]1[NH2+]CC[C@@H]1CN1CCCC1 215084121 573161867 /nfs/dbraw/zinc/16/18/67/573161867.db2.gz MUQUVZOQMWADNH-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO CC[N@@H+]1CC[C@H]2CNCC[C@H]21 258560091 573162202 /nfs/dbraw/zinc/16/22/02/573162202.db2.gz QJYBMDNVDWDROV-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CC[N@H+]1CC[C@H]2CNCC[C@H]21 258560091 573162209 /nfs/dbraw/zinc/16/22/09/573162209.db2.gz QJYBMDNVDWDROV-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@H](F)[C@@H]1CCC[NH2+]C1 258562201 573162490 /nfs/dbraw/zinc/16/24/90/573162490.db2.gz QQQXVJKYEZJNCA-SFYZADRCSA-N 1 3 160.236 0.544 10 0 ACAEHO CCN(CC)[C@H]1CC[NH2+]C[C@H]1CO 215081956 573163299 /nfs/dbraw/zinc/16/32/99/573163299.db2.gz SCLHKOLXUNPMGB-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[N@H+]1CC[C@@H]2CNCC[C@H]21 258560094 573163789 /nfs/dbraw/zinc/16/37/89/573163789.db2.gz QJYBMDNVDWDROV-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@@H](F)[C@@H]1CCC[NH2+]C1 258562196 573163229 /nfs/dbraw/zinc/16/32/29/573163229.db2.gz QQQXVJKYEZJNCA-HTQZYQBOSA-N 1 3 160.236 0.544 10 0 ACAEHO CCN(CC)[C@H]1CC[NH2+]C[C@@H]1CO 215081864 573163317 /nfs/dbraw/zinc/16/33/17/573163317.db2.gz SCLHKOLXUNPMGB-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO COC(=O)C[C@@H](C)NC[C@@H](C)C[NH3+] 308284704 573163441 /nfs/dbraw/zinc/16/34/41/573163441.db2.gz ZZBGODLIAIWWEH-JGVFFNPUSA-N 1 3 188.271 0.122 10 0 ACAEHO COC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN 308284704 573163449 /nfs/dbraw/zinc/16/34/49/573163449.db2.gz ZZBGODLIAIWWEH-JGVFFNPUSA-N 1 3 188.271 0.122 10 0 ACAEHO C[NH2+][C@H](C)c1cc(CN)n(C)c1 258560160 573163626 /nfs/dbraw/zinc/16/36/26/573163626.db2.gz QLHAMQUGQFMIHS-SSDOTTSWSA-N 1 3 167.256 0.764 10 0 ACAEHO CN1CC[C@H](C(=O)C2(C[NH3+])CC2)C1 259350255 573163652 /nfs/dbraw/zinc/16/36/52/573163652.db2.gz ZVXBQBFFECXUPC-QMMMGPOBSA-N 1 3 182.267 0.246 10 0 ACAEHO CC1CCN(CC2(C[NH3+])COC2)CC1 258559784 573163672 /nfs/dbraw/zinc/16/36/72/573163672.db2.gz BNLYFZMNINDSDP-UHFFFAOYSA-N 1 3 198.310 0.694 10 0 ACAEHO C[NH2+][C@@H](C)c1cc(CN)n(C)c1 258560164 573163686 /nfs/dbraw/zinc/16/36/86/573163686.db2.gz QLHAMQUGQFMIHS-ZETCQYMHSA-N 1 3 167.256 0.764 10 0 ACAEHO CC[N@@H+]1CC[C@@H]2CNCC[C@H]21 258560094 573163785 /nfs/dbraw/zinc/16/37/85/573163785.db2.gz QJYBMDNVDWDROV-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+]1CCC2(CC2)C1 400194590 573164212 /nfs/dbraw/zinc/16/42/12/573164212.db2.gz CWOOVOJGBBYKLS-SNVBAGLBSA-N 1 3 198.310 0.443 10 0 ACAEHO COC1(C[NH2+]CCCN)CCCC1 308289276 573164368 /nfs/dbraw/zinc/16/43/68/573164368.db2.gz DLWRMIZSRKJBTM-UHFFFAOYSA-N 1 3 186.299 0.884 10 0 ACAEHO COC1(CNCCC[NH3+])CCCC1 308289276 573164375 /nfs/dbraw/zinc/16/43/75/573164375.db2.gz DLWRMIZSRKJBTM-UHFFFAOYSA-N 1 3 186.299 0.884 10 0 ACAEHO CN1C[C@@H]2C[NH2+]C[C@H](C1)C2(F)F 257957651 573164975 /nfs/dbraw/zinc/16/49/75/573164975.db2.gz XBXAANYGMRCMDV-KNVOCYPGSA-N 1 3 176.210 0.403 10 0 ACAEHO CN(C)[C@H]1C=C[C@@H](O)C12CC[NH2+]CC2 238297556 573165022 /nfs/dbraw/zinc/16/50/22/573165022.db2.gz FROXLPAKFNYVOT-VHSXEESVSA-N 1 3 196.294 0.217 10 0 ACAEHO CCNC[C@H](O)C[N@@H+]1CCC2(CC2)C1 400194589 573165114 /nfs/dbraw/zinc/16/51/14/573165114.db2.gz CWOOVOJGBBYKLS-JTQLQIEISA-N 1 3 198.310 0.443 10 0 ACAEHO CCNC[C@H](O)C[N@H+]1CCC2(CC2)C1 400194589 573165119 /nfs/dbraw/zinc/16/51/19/573165119.db2.gz CWOOVOJGBBYKLS-JTQLQIEISA-N 1 3 198.310 0.443 10 0 ACAEHO C[NH2+]C[C@H](C)CN[C@H]1CC12CC2 715566258 573165453 /nfs/dbraw/zinc/16/54/53/573165453.db2.gz ABIIRBRBUVFWKY-IUCAKERBSA-N 1 3 168.284 0.984 10 0 ACAEHO C[NH2+]C[C@H](C)CN[C@@H]1CC12CC2 715566255 573165608 /nfs/dbraw/zinc/16/56/08/573165608.db2.gz ABIIRBRBUVFWKY-DTWKUNHWSA-N 1 3 168.284 0.984 10 0 ACAEHO CCC[C@H]([NH2+]C)C1CNC1 259352031 573165912 /nfs/dbraw/zinc/16/59/12/573165912.db2.gz KSHBIGGNHYAQJY-QMMMGPOBSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@@H]1C[NH2+][C@H](C2CCN(C)CC2)O1 258565025 573167038 /nfs/dbraw/zinc/16/70/38/573167038.db2.gz PCNSTYWKMUARQD-SCZZXKLOSA-N 1 3 184.283 0.663 10 0 ACAEHO C[NH2+]C[C@@H](C)CN[C@H]1CC12CC2 715566252 573167064 /nfs/dbraw/zinc/16/70/64/573167064.db2.gz ABIIRBRBUVFWKY-BDAKNGLRSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C2CCN(C)CC2)O1 258565038 573167176 /nfs/dbraw/zinc/16/71/76/573167176.db2.gz PCNSTYWKMUARQD-WPRPVWTQSA-N 1 3 184.283 0.663 10 0 ACAEHO NCC1(F)CCC([NH3+])CC1 258562105 573167307 /nfs/dbraw/zinc/16/73/07/573167307.db2.gz QPBWKZQBYDLURK-UHFFFAOYSA-N 1 3 146.209 0.555 10 0 ACAEHO NCC1([C@@H]([NH3+])c2cc[nH]c2)CC1 259355024 573167479 /nfs/dbraw/zinc/16/74/79/573167479.db2.gz JXMIHLRWCYESEL-QMMMGPOBSA-N 1 3 165.240 0.753 10 0 ACAEHO C[C@@H]1C[NH2+][C@@H](C2CCN(C)CC2)O1 258565019 573167616 /nfs/dbraw/zinc/16/76/16/573167616.db2.gz PCNSTYWKMUARQD-PSASIEDQSA-N 1 3 184.283 0.663 10 0 ACAEHO CN1CCC[NH2+][C@@H]2CCN(C)C[C@H]2C1 238298707 573168015 /nfs/dbraw/zinc/16/80/15/573168015.db2.gz CSTXBDDMUXHRJH-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CC(C)CC(CN)C[NH3+] 82707723 573168018 /nfs/dbraw/zinc/16/80/18/573168018.db2.gz XUZGYJCSMVQINW-UHFFFAOYSA-N 1 3 130.235 0.566 10 0 ACAEHO NCC1([C@H]([NH3+])c2cc[nH]c2)CC1 259355022 573168408 /nfs/dbraw/zinc/16/84/08/573168408.db2.gz JXMIHLRWCYESEL-MRVPVSSYSA-N 1 3 165.240 0.753 10 0 ACAEHO CN1CCN=C1SCC1=[NH+]CCN1 238298532 573169405 /nfs/dbraw/zinc/16/94/05/573169405.db2.gz UHZLEIGTQHNORF-UHFFFAOYSA-N 1 3 198.295 0.023 10 0 ACAEHO C[C@@H]1C[NH2+]CCCN(CCN(C)C)C1 259351322 573169297 /nfs/dbraw/zinc/16/92/97/573169297.db2.gz JSXZCENVPCEEAP-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO C[NH2+]C[C@@H](C)CN[C@@H]1CC12CC2 715566259 573169341 /nfs/dbraw/zinc/16/93/41/573169341.db2.gz ABIIRBRBUVFWKY-RKDXNWHRSA-N 1 3 168.284 0.984 10 0 ACAEHO CN1CC[NH+]=C1CSC1=NCCN1 238298392 573171766 /nfs/dbraw/zinc/17/17/66/573171766.db2.gz QEDMJENAYHKZQZ-UHFFFAOYSA-N 1 3 198.295 0.023 10 0 ACAEHO C[NH2+]Cc1ccncc1CN 258565543 573171843 /nfs/dbraw/zinc/17/18/43/573171843.db2.gz RDEDSRKUCDLRKV-UHFFFAOYSA-N 1 3 151.213 0.260 10 0 ACAEHO CCC[C@H](NC)N1CC[NH2+]CC1 259601640 573171862 /nfs/dbraw/zinc/17/18/62/573171862.db2.gz YBOPCUHMEUWVKC-SECBINFHSA-N 1 3 171.288 0.237 10 0 ACAEHO C[NH2+][C@H](C)c1ccc(CN)n1C 258565362 573171912 /nfs/dbraw/zinc/17/19/12/573171912.db2.gz QYRZQCMBIGPLQY-SSDOTTSWSA-N 1 3 167.256 0.764 10 0 ACAEHO CCC[C@@H](NC)N1CC[NH2+]CC1 259601644 573172358 /nfs/dbraw/zinc/17/23/58/573172358.db2.gz YBOPCUHMEUWVKC-VIFPVBQESA-N 1 3 171.288 0.237 10 0 ACAEHO CC[C@@H](CN)[C@@H](C)[NH2+]C 259355335 573172382 /nfs/dbraw/zinc/17/23/82/573172382.db2.gz UCWYZYOJMSLWIJ-RQJHMYQMSA-N 1 3 130.235 0.579 10 0 ACAEHO CCC[C@@H](O)CNCCC[NH+](C)C 125794691 573173700 /nfs/dbraw/zinc/17/37/00/573173700.db2.gz AHFAMZHAIWJNRO-SNVBAGLBSA-N 1 3 188.315 0.689 10 0 ACAEHO Nc1ccncc1[C@H](O)[C@H]1C[C@H]1C[NH3+] 715572963 573173146 /nfs/dbraw/zinc/17/31/46/573173146.db2.gz OCJMERQYHOLBHE-MHYGZLNHSA-N 1 3 193.250 0.122 10 0 ACAEHO Nc1ccncc1[C@H](O)[C@@H]1C[C@H]1C[NH3+] 715572973 573173806 /nfs/dbraw/zinc/17/38/06/573173806.db2.gz OCJMERQYHOLBHE-NYNCVSEMSA-N 1 3 193.250 0.122 10 0 ACAEHO CC[C@H](CN)[C@@H](C)[NH2+]C 259355333 573173898 /nfs/dbraw/zinc/17/38/98/573173898.db2.gz UCWYZYOJMSLWIJ-RNFRBKRXSA-N 1 3 130.235 0.579 10 0 ACAEHO C[C@]1(NCC2([NH3+])CC2)CCCOC1 235726666 573174090 /nfs/dbraw/zinc/17/40/90/573174090.db2.gz WJHMAJPALDCLOS-VIFPVBQESA-N 1 3 184.283 0.636 10 0 ACAEHO CC[C@@H](CN)[C@H](C)[NH2+]C 259355330 573174289 /nfs/dbraw/zinc/17/42/89/573174289.db2.gz UCWYZYOJMSLWIJ-BQBZGAKWSA-N 1 3 130.235 0.579 10 0 ACAEHO CC1(OCCN2CC=CC2)C[NH2+]C1 308292235 573175283 /nfs/dbraw/zinc/17/52/83/573175283.db2.gz LOTPFBQKZKVPPP-UHFFFAOYSA-N 1 3 182.267 0.237 10 0 ACAEHO CO[C@H](C)CC[NH2+][C@H]1CC[C@@H](N)C1 308292236 573175411 /nfs/dbraw/zinc/17/54/11/573175411.db2.gz LPZRTGIPVYRHCR-BBBLOLIVSA-N 1 3 186.299 0.881 10 0 ACAEHO C[N@@H+]1CC[C@@H](O)CC12CCNCC2 238306578 573175465 /nfs/dbraw/zinc/17/54/65/573175465.db2.gz IJJUBQSGNBPDLD-SECBINFHSA-N 1 3 184.283 0.195 10 0 ACAEHO C[N@H+]1CC[C@@H](O)CC12CCNCC2 238306578 573175471 /nfs/dbraw/zinc/17/54/71/573175471.db2.gz IJJUBQSGNBPDLD-SECBINFHSA-N 1 3 184.283 0.195 10 0 ACAEHO CO[C@H](C)CC[NH2+][C@@H]1CC[C@H](N)C1 308292237 573176155 /nfs/dbraw/zinc/17/61/55/573176155.db2.gz LPZRTGIPVYRHCR-KXUCPTDWSA-N 1 3 186.299 0.881 10 0 ACAEHO CC[C@H](CN)[C@H](C)[NH2+]C 259355331 573176249 /nfs/dbraw/zinc/17/62/49/573176249.db2.gz UCWYZYOJMSLWIJ-NKWVEPMBSA-N 1 3 130.235 0.579 10 0 ACAEHO C[NH2+][C@@H](C)c1ccc(CN)n1C 258565365 573176383 /nfs/dbraw/zinc/17/63/83/573176383.db2.gz QYRZQCMBIGPLQY-ZETCQYMHSA-N 1 3 167.256 0.764 10 0 ACAEHO C[C@H](C(N)=O)N(C)C1CCC([NH3+])CC1 85870053 573176581 /nfs/dbraw/zinc/17/65/81/573176581.db2.gz HJLVATKDLSBXAR-AFPNSQJFSA-N 1 3 199.298 0.062 10 0 ACAEHO COC[C@]1(CNC2CCC2)CC[NH2+]C1 308510656 573177001 /nfs/dbraw/zinc/17/70/01/573177001.db2.gz RXDZDYIUXZAUJE-LLVKDONJSA-N 1 3 198.310 0.755 10 0 ACAEHO COC[C@@]1(CNC2CCC2)CC[NH2+]C1 308510658 573177834 /nfs/dbraw/zinc/17/78/34/573177834.db2.gz RXDZDYIUXZAUJE-NSHDSACASA-N 1 3 198.310 0.755 10 0 ACAEHO CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H](N)C1 308292238 573178127 /nfs/dbraw/zinc/17/81/27/573178127.db2.gz LPZRTGIPVYRHCR-OPRDCNLKSA-N 1 3 186.299 0.881 10 0 ACAEHO CO[C@H](C)CC[NH2+][C@H]1CC[C@H](N)C1 308292239 573178694 /nfs/dbraw/zinc/17/86/94/573178694.db2.gz LPZRTGIPVYRHCR-UTLUCORTSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@H]([NH2+]C1CC(N)C1)C1CCOCC1 235520145 573179597 /nfs/dbraw/zinc/17/95/97/573179597.db2.gz JRGYQIFGTRPYJO-PUSIOWJLSA-N 1 3 198.310 0.881 10 0 ACAEHO CCCC[N@@H+]1CCN[C@@H](CNC)C1 259358885 573180106 /nfs/dbraw/zinc/18/01/06/573180106.db2.gz UGOYFUVAWCHDMB-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO CCCC[N@H+]1CCN[C@@H](CNC)C1 259358885 573180111 /nfs/dbraw/zinc/18/01/11/573180111.db2.gz UGOYFUVAWCHDMB-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO C[NH+](C)CCN1CC2=C(C1)NCCC2 238305891 573180345 /nfs/dbraw/zinc/18/03/45/573180345.db2.gz HETSMWLNDYMMGH-UHFFFAOYSA-N 1 3 195.310 0.501 10 0 ACAEHO CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC12CC2 715585863 573180749 /nfs/dbraw/zinc/18/07/49/573180749.db2.gz VGVDDUWYLSHOMO-NXEZZACHSA-N 1 3 195.310 0.032 10 0 ACAEHO [NH3+][C@@H]1CCO[C@H]1CN[C@H]1CC12CC2 715584613 573181242 /nfs/dbraw/zinc/18/12/42/573181242.db2.gz NQIWZDQDJXKLQW-VGMNWLOBSA-N 1 3 182.267 0.245 10 0 ACAEHO N[C@@H]1CCO[C@H]1C[NH2+][C@H]1CC12CC2 715584613 573181250 /nfs/dbraw/zinc/18/12/50/573181250.db2.gz NQIWZDQDJXKLQW-VGMNWLOBSA-N 1 3 182.267 0.245 10 0 ACAEHO CCCC[N@@H+]1CCN[C@H](CNC)C1 259358891 573181397 /nfs/dbraw/zinc/18/13/97/573181397.db2.gz UGOYFUVAWCHDMB-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CCCC[N@H+]1CCN[C@H](CNC)C1 259358891 573181407 /nfs/dbraw/zinc/18/14/07/573181407.db2.gz UGOYFUVAWCHDMB-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CO[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC12CC2 715602417 573181472 /nfs/dbraw/zinc/18/14/72/573181472.db2.gz GMRDNWORTOMDQN-OPRDCNLKSA-N 1 3 196.294 0.363 10 0 ACAEHO C[C@@H]1CN(CCC(C)(C)[NH3+])CCN1C 82773412 573181547 /nfs/dbraw/zinc/18/15/47/573181547.db2.gz FEPNYYYEDAKTTI-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CC[NH2+]C[C@@H]1CN[C@H]1CC12CC2 715585915 573181674 /nfs/dbraw/zinc/18/16/74/573181674.db2.gz VGVDDUWYLSHOMO-ZJUUUORDSA-N 1 3 195.310 0.032 10 0 ACAEHO CN1CC[NH2+]C[C@H]1CN[C@H]1CC12CC2 715585871 573181881 /nfs/dbraw/zinc/18/18/81/573181881.db2.gz VGVDDUWYLSHOMO-UWVGGRQHSA-N 1 3 195.310 0.032 10 0 ACAEHO C1=C[N@H+]2CCCC[C@@H]2CNC1 115318265 573182057 /nfs/dbraw/zinc/18/20/57/573182057.db2.gz MYBOTUJPOSBJSE-SECBINFHSA-N 1 3 152.241 0.958 10 0 ACAEHO C1=C[N@@H+]2CCCC[C@@H]2CNC1 115318265 573182065 /nfs/dbraw/zinc/18/20/65/573182065.db2.gz MYBOTUJPOSBJSE-SECBINFHSA-N 1 3 152.241 0.958 10 0 ACAEHO CN1CC[C@@H]([NH3+])CC12CCC2 238306056 573182255 /nfs/dbraw/zinc/18/22/55/573182255.db2.gz XPNOVAPUSOXACM-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO COC[C@]1([C@@H]2CCCNC2)CCC[NH2+]1 257961449 573182330 /nfs/dbraw/zinc/18/23/30/573182330.db2.gz GVBQTLVNOXBEGP-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO CC(C)([NH3+])CCNC1CC1 82773055 573182351 /nfs/dbraw/zinc/18/23/51/573182351.db2.gz ZQAPFSUDGMKGMK-UHFFFAOYSA-N 1 3 142.246 0.866 10 0 ACAEHO C[N@@H+]1CC[C@@H](CO)C12CCNCC2 238305602 573182475 /nfs/dbraw/zinc/18/24/75/573182475.db2.gz DUHDEDFSCGXNOA-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO C[N@H+]1CC[C@@H](CO)C12CCNCC2 238305602 573182481 /nfs/dbraw/zinc/18/24/81/573182481.db2.gz DUHDEDFSCGXNOA-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO CN1CC[C@@H](CO)C12CC[NH2+]CC2 238305602 573182486 /nfs/dbraw/zinc/18/24/86/573182486.db2.gz DUHDEDFSCGXNOA-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO CN1CC[C@]2(CCC[C@H](CC[NH3+])O2)C1 686241616 573184695 /nfs/dbraw/zinc/18/46/95/573184695.db2.gz XGODVUUYVIWDIX-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CN(C)CCN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238306377 573184724 /nfs/dbraw/zinc/18/47/24/573184724.db2.gz PFCAEHZILYQWCF-JGPRNRPPSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CN(CCC(C)(C)[NH3+])CCN1C 82773413 573184827 /nfs/dbraw/zinc/18/48/27/573184827.db2.gz FEPNYYYEDAKTTI-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C1=C[N@H+]2CCCC[C@H]2CNC1 115318264 573185081 /nfs/dbraw/zinc/18/50/81/573185081.db2.gz MYBOTUJPOSBJSE-VIFPVBQESA-N 1 3 152.241 0.958 10 0 ACAEHO C1=C[N@@H+]2CCCC[C@H]2CNC1 115318264 573185088 /nfs/dbraw/zinc/18/50/88/573185088.db2.gz MYBOTUJPOSBJSE-VIFPVBQESA-N 1 3 152.241 0.958 10 0 ACAEHO COC[C@@]1([C@H]2CCCNC2)CCC[NH2+]1 257961451 573185120 /nfs/dbraw/zinc/18/51/20/573185120.db2.gz GVBQTLVNOXBEGP-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO CN1CC[C@@]2(CCC[C@H](CC[NH3+])O2)C1 686241618 573185308 /nfs/dbraw/zinc/18/53/08/573185308.db2.gz XGODVUUYVIWDIX-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CN1CC[C@@H]([NH3+])CC12CCOCC2 238306134 573186506 /nfs/dbraw/zinc/18/65/06/573186506.db2.gz DVPGGMHLLGBPPY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO CN1CCCN(CCC(C)(C)[NH3+])CC1 82772860 573185358 /nfs/dbraw/zinc/18/53/58/573185358.db2.gz CAWNAMGSCPSESB-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CN1CC[NH2+]C[C@H]1CN[C@@H]1CC12CC2 715585905 573185556 /nfs/dbraw/zinc/18/55/56/573185556.db2.gz VGVDDUWYLSHOMO-VHSXEESVSA-N 1 3 195.310 0.032 10 0 ACAEHO CN1CCC[C@]2(C[C@@H](C[NH3+])CCO2)C1 238306173 573186084 /nfs/dbraw/zinc/18/60/84/573186084.db2.gz YLJKLXGAHVAEOK-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO CNC[C@H](C[NH3+])c1ccc(C)o1 257962999 573186391 /nfs/dbraw/zinc/18/63/91/573186391.db2.gz BIYSJPHYPKHZAX-QMMMGPOBSA-N 1 3 168.240 0.850 10 0 ACAEHO COC[C@]1(CN[C@H]2C[C@@H]2C)CC[NH2+]C1 308514381 573186410 /nfs/dbraw/zinc/18/64/10/573186410.db2.gz UMQYNIFBKFZMFT-GARJFASQSA-N 1 3 198.310 0.611 10 0 ACAEHO CN1CC[C@@]2(CCC[C@@H](CC[NH3+])O2)C1 686241619 573187414 /nfs/dbraw/zinc/18/74/14/573187414.db2.gz XGODVUUYVIWDIX-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H]1CCN(C)[C@@H]1C[NH3+] 238306375 573187724 /nfs/dbraw/zinc/18/77/24/573187724.db2.gz OWSSTFBQSMRQJG-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)CCN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238306363 573187833 /nfs/dbraw/zinc/18/78/33/573187833.db2.gz PFCAEHZILYQWCF-RTCCRHLQSA-N 1 3 197.326 0.502 10 0 ACAEHO COC[C@]1(CN[C@H]2C[C@H]2C)CC[NH2+]C1 308514387 573190091 /nfs/dbraw/zinc/19/00/91/573190091.db2.gz UMQYNIFBKFZMFT-OUAUKWLOSA-N 1 3 198.310 0.611 10 0 ACAEHO COC[C@]1(CN[C@@H]2C[C@H]2C)CC[NH2+]C1 308514383 573191116 /nfs/dbraw/zinc/19/11/16/573191116.db2.gz UMQYNIFBKFZMFT-GMTAPVOTSA-N 1 3 198.310 0.611 10 0 ACAEHO CN(C)CCCNCC=[NH2+] 238301124 573193253 /nfs/dbraw/zinc/19/32/53/573193253.db2.gz HWYJKWCARRNCTQ-UHFFFAOYSA-N 1 3 143.234 0.177 10 0 ACAEHO CCCN[C@H](C)c1cnnn1CC[NH3+] 308515931 573194920 /nfs/dbraw/zinc/19/49/20/573194920.db2.gz VAJGWOSFMRYYCM-MRVPVSSYSA-N 1 3 197.286 0.297 10 0 ACAEHO CCOC1(C[NH2+]C)CCN(C)CC1 257959320 573196975 /nfs/dbraw/zinc/19/69/75/573196975.db2.gz XGIDSNQTXGMFEK-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO [NH3+]CCc1cnn([C@@H]2CCCN2)c1 257966470 573197342 /nfs/dbraw/zinc/19/73/42/573197342.db2.gz YBFLWFRLTSDSKD-SECBINFHSA-N 1 3 180.255 0.266 10 0 ACAEHO CC(C)C[NH2+][C@@]1(CN)CCCNC1 257967853 573197409 /nfs/dbraw/zinc/19/74/09/573197409.db2.gz YFIWMMIQFGZSFT-SNVBAGLBSA-N 1 3 185.315 0.313 10 0 ACAEHO CC(C)CN[C@@]1(CN)CCC[NH2+]C1 257967853 573197412 /nfs/dbraw/zinc/19/74/12/573197412.db2.gz YFIWMMIQFGZSFT-SNVBAGLBSA-N 1 3 185.315 0.313 10 0 ACAEHO C[N@@H+]1CC[C@H](O)CC12CCNCC2 238309913 573197716 /nfs/dbraw/zinc/19/77/16/573197716.db2.gz IJJUBQSGNBPDLD-VIFPVBQESA-N 1 3 184.283 0.195 10 0 ACAEHO C[N@H+]1CC[C@H](O)CC12CCNCC2 238309913 573197721 /nfs/dbraw/zinc/19/77/21/573197721.db2.gz IJJUBQSGNBPDLD-VIFPVBQESA-N 1 3 184.283 0.195 10 0 ACAEHO CC(C)C[NH2+][C@]1(CN)CCCNC1 257967851 573197781 /nfs/dbraw/zinc/19/77/81/573197781.db2.gz YFIWMMIQFGZSFT-JTQLQIEISA-N 1 3 185.315 0.313 10 0 ACAEHO CC(C)CN[C@]1(CN)CCC[NH2+]C1 257967851 573197783 /nfs/dbraw/zinc/19/77/83/573197783.db2.gz YFIWMMIQFGZSFT-JTQLQIEISA-N 1 3 185.315 0.313 10 0 ACAEHO CN1CCC[C@@]2(C[C@@H](C[NH3+])CCO2)C1 238302655 573198349 /nfs/dbraw/zinc/19/83/49/573198349.db2.gz YLJKLXGAHVAEOK-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCc1cnn([C@H]2CCCN2)c1 257966473 573198517 /nfs/dbraw/zinc/19/85/17/573198517.db2.gz YBFLWFRLTSDSKD-VIFPVBQESA-N 1 3 180.255 0.266 10 0 ACAEHO CN1CCC(O)(C2(C[NH3+])CCC2)CC1 85900441 573201230 /nfs/dbraw/zinc/20/12/30/573201230.db2.gz AZDGGKBEQBADKZ-UHFFFAOYSA-N 1 3 198.310 0.572 10 0 ACAEHO CC[NH2+]CC1(C)CNC1 104697478 573201548 /nfs/dbraw/zinc/20/15/48/573201548.db2.gz QLKYVWBJIZYNFT-UHFFFAOYSA-N 1 3 128.219 0.205 10 0 ACAEHO CCNCC1(C)C[NH2+]C1 104697478 573201551 /nfs/dbraw/zinc/20/15/51/573201551.db2.gz QLKYVWBJIZYNFT-UHFFFAOYSA-N 1 3 128.219 0.205 10 0 ACAEHO CN(C)[C@H](C1CCC1)[C@@H](O)C[NH3+] 259366974 573201727 /nfs/dbraw/zinc/20/17/27/573201727.db2.gz GDCGJYICTFWEJV-DTWKUNHWSA-N 1 3 172.272 0.036 10 0 ACAEHO C[NH2+][C@H](C)C[C@@H](C)N(C)C 82801041 573201898 /nfs/dbraw/zinc/20/18/98/573201898.db2.gz WLWGTACLCJNFRC-HTQZYQBOSA-N 1 3 144.262 0.935 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N1CCN(C)CC1 82800899 573202063 /nfs/dbraw/zinc/20/20/63/573202063.db2.gz WASSYKMSHXHQPN-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CCCN(C)CC1 82801088 573202124 /nfs/dbraw/zinc/20/21/24/573202124.db2.gz VXVNVHLYVSRDMF-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+]CCCN1CC(N2CCCCC2)C1 107188191 573204558 /nfs/dbraw/zinc/20/45/58/573204558.db2.gz DEGNVIWSFKGAEZ-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO [NH3+][C@@H](CNC1CCC1)[C@@H]1CCOC1 257970013 573204628 /nfs/dbraw/zinc/20/46/28/573204628.db2.gz BUTSEMIRHMNTFU-SCZZXKLOSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+][C@@H](CNC1CCC1)[C@H]1CCOC1 257970017 573203703 /nfs/dbraw/zinc/20/37/03/573203703.db2.gz BUTSEMIRHMNTFU-WPRPVWTQSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+][C@H](CNC1CCC1)[C@@H]1CCOC1 257970012 573203784 /nfs/dbraw/zinc/20/37/84/573203784.db2.gz BUTSEMIRHMNTFU-PSASIEDQSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N(C)C 82801039 573203888 /nfs/dbraw/zinc/20/38/88/573203888.db2.gz GTEYLCBPKVEEJL-RQJHMYQMSA-N 1 3 130.235 0.674 10 0 ACAEHO [NH3+]C[C@@]1(F)CCN2CCC[C@@H]21 258484268 573203906 /nfs/dbraw/zinc/20/39/06/573203906.db2.gz JMRJIKIQPUKGTC-SFYZADRCSA-N 1 3 158.220 0.522 10 0 ACAEHO [NH3+]C[C@@H]1C[C@@H]1CNCc1cnsc1 715133486 573203908 /nfs/dbraw/zinc/20/39/08/573203908.db2.gz QEGIDQRFGOGWOB-DTWKUNHWSA-N 1 3 197.307 0.828 10 0 ACAEHO [NH3+]C[C@@H]1C[C@H]1CNCc1cnsc1 715133488 573204072 /nfs/dbraw/zinc/20/40/72/573204072.db2.gz QEGIDQRFGOGWOB-IUCAKERBSA-N 1 3 197.307 0.828 10 0 ACAEHO [NH3+]C[C@]1(F)CCN2CCC[C@@H]21 258484264 573204089 /nfs/dbraw/zinc/20/40/89/573204089.db2.gz JMRJIKIQPUKGTC-HTQZYQBOSA-N 1 3 158.220 0.522 10 0 ACAEHO [NH3+][C@H](CNC1CCC1)[C@H]1CCOC1 257970015 573204141 /nfs/dbraw/zinc/20/41/41/573204141.db2.gz BUTSEMIRHMNTFU-WCBMZHEXSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N1CCN(C)CC1 82800901 573204199 /nfs/dbraw/zinc/20/41/99/573204199.db2.gz WASSYKMSHXHQPN-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N1CCCN(C)CC1 82801087 573204380 /nfs/dbraw/zinc/20/43/80/573204380.db2.gz VXVNVHLYVSRDMF-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CCN(C)CC1 82800900 573206288 /nfs/dbraw/zinc/20/62/88/573206288.db2.gz WASSYKMSHXHQPN-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO [NH3+]CC1(C2(O)CNC2)CCCCCC1 85923920 573207794 /nfs/dbraw/zinc/20/77/94/573207794.db2.gz KMJBNLSFJSEQOP-UHFFFAOYSA-N 1 3 198.310 0.620 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CCN(C)CC1 82800898 573206344 /nfs/dbraw/zinc/20/63/44/573206344.db2.gz WASSYKMSHXHQPN-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N(C)C 82801036 573206397 /nfs/dbraw/zinc/20/63/97/573206397.db2.gz GTEYLCBPKVEEJL-RNFRBKRXSA-N 1 3 130.235 0.674 10 0 ACAEHO CN1CCC[C@](O)(C(C)(C)[NH3+])C1 257970666 573206805 /nfs/dbraw/zinc/20/68/05/573206805.db2.gz YQJZVNDBPATDRZ-SECBINFHSA-N 1 3 172.272 0.180 10 0 ACAEHO CN1CCC[C@@](O)(C(C)(C)[NH3+])C1 257970670 573207226 /nfs/dbraw/zinc/20/72/26/573207226.db2.gz YQJZVNDBPATDRZ-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]([NH3+])CN1CC(N2CCCCC2)C1 107188213 573207308 /nfs/dbraw/zinc/20/73/08/573207308.db2.gz ZFVNCCTXSAYPEG-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@H+](CCO)[C@@H]1CCCC[C@H]1N 238312982 573207377 /nfs/dbraw/zinc/20/73/77/573207377.db2.gz TYCAHMMHCPMCIO-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](CCO)[C@@H]1CCCC[C@H]1N 238312982 573207381 /nfs/dbraw/zinc/20/73/81/573207381.db2.gz TYCAHMMHCPMCIO-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(C)C1CN([C@H]2CC[C@@H](C[NH3+])C2)C1 107188176 573207665 /nfs/dbraw/zinc/20/76/65/573207665.db2.gz LVABXYMEKOZWMX-ZJUUUORDSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1CCC[C@](C[NH3+])(C2(O)CNC2)C1 85923977 573209916 /nfs/dbraw/zinc/20/99/16/573209916.db2.gz RAVCGEKVKSVWFD-UWVGGRQHSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@H]1CCC[C@@](C[NH3+])(C2(O)CNC2)C1 85923972 573211481 /nfs/dbraw/zinc/21/14/81/573211481.db2.gz RAVCGEKVKSVWFD-VHSXEESVSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@@H]1CCC[C@](C[NH3+])(C2(O)CNC2)C1 85923974 573211340 /nfs/dbraw/zinc/21/13/40/573211340.db2.gz RAVCGEKVKSVWFD-ZJUUUORDSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@@H]1CCC[C@@](C[NH3+])(C2(O)CNC2)C1 85923961 573209519 /nfs/dbraw/zinc/20/95/19/573209519.db2.gz RAVCGEKVKSVWFD-NXEZZACHSA-N 1 3 198.310 0.476 10 0 ACAEHO CC[C@@H]1CC[C@](C[NH3+])(C2(O)CNC2)C1 85923941 573209536 /nfs/dbraw/zinc/20/95/36/573209536.db2.gz PTLUGGGZQUXFGL-ZJUUUORDSA-N 1 3 198.310 0.476 10 0 ACAEHO CN(C)CC[C@@H]1CNC[C@H]2CCC[N@@H+]21 238313386 573209573 /nfs/dbraw/zinc/20/95/73/573209573.db2.gz JDNKHEAYBGURNP-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CN(C)CC[C@@H]1CNC[C@H]2CCC[N@H+]21 238313386 573209577 /nfs/dbraw/zinc/20/95/77/573209577.db2.gz JDNKHEAYBGURNP-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH+](C)[C@H]1CCN([C@H]2CCCCN2)C1 257759601 573209671 /nfs/dbraw/zinc/20/96/71/573209671.db2.gz RUGNLSMUQBCFOZ-QWRGUYRKSA-N 1 3 197.326 0.722 10 0 ACAEHO CC[C@@H]1CC[C@@](C[NH3+])(C2(O)CNC2)C1 85923934 573210458 /nfs/dbraw/zinc/21/04/58/573210458.db2.gz PTLUGGGZQUXFGL-NXEZZACHSA-N 1 3 198.310 0.476 10 0 ACAEHO CC[C@@H](CC(N)=O)N1CCC([NH3+])CC1 257760633 573210565 /nfs/dbraw/zinc/21/05/65/573210565.db2.gz GWOZQYZFNVLFKN-VIFPVBQESA-N 1 3 199.298 0.064 10 0 ACAEHO CC[C@H]1CC[C@](C[NH3+])(C2(O)CNC2)C1 85923944 573210694 /nfs/dbraw/zinc/21/06/94/573210694.db2.gz PTLUGGGZQUXFGL-UWVGGRQHSA-N 1 3 198.310 0.476 10 0 ACAEHO CNCC1(C[NH2+]C)CCC1 104710439 573211003 /nfs/dbraw/zinc/21/10/03/573211003.db2.gz LIKCQHZBTHNGAG-UHFFFAOYSA-N 1 3 142.246 0.596 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@H](F)CN)C1 226010225 573211219 /nfs/dbraw/zinc/21/12/19/573211219.db2.gz PSPUKMRNIWHITN-NKWVEPMBSA-N 1 3 146.209 0.235 10 0 ACAEHO C[N@H+]1CC[C@H]([C@H](F)CN)C1 226010225 573211223 /nfs/dbraw/zinc/21/12/23/573211223.db2.gz PSPUKMRNIWHITN-NKWVEPMBSA-N 1 3 146.209 0.235 10 0 ACAEHO CC[NH2+][C@@]1(CN)CCN2CCCC[C@@H]21 123852821 573213545 /nfs/dbraw/zinc/21/35/45/573213545.db2.gz NMRMAJWZYZJQHL-GHMZBOCLSA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@@]1(CN)CC[N@@H+]2CCCC[C@@H]21 123852821 573213551 /nfs/dbraw/zinc/21/35/51/573213551.db2.gz NMRMAJWZYZJQHL-GHMZBOCLSA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@@]1(CN)CC[N@H+]2CCCC[C@@H]21 123852821 573213556 /nfs/dbraw/zinc/21/35/56/573213556.db2.gz NMRMAJWZYZJQHL-GHMZBOCLSA-N 1 3 197.326 0.552 10 0 ACAEHO C[NH+](C)[C@@H]1CCN([C@H]2CCCCN2)C1 257759599 573213663 /nfs/dbraw/zinc/21/36/63/573213663.db2.gz RUGNLSMUQBCFOZ-MNOVXSKESA-N 1 3 197.326 0.722 10 0 ACAEHO NCc1csc(C[C@@H]2CC[NH2+]C2)n1 257971587 573213879 /nfs/dbraw/zinc/21/38/79/573213879.db2.gz GZKHRWRYNLBNEY-ZETCQYMHSA-N 1 3 197.307 0.754 10 0 ACAEHO C[NH2+][C@@H](C1CCC1)C1CNC1 259384915 573222281 /nfs/dbraw/zinc/22/22/81/573222281.db2.gz MAQWIXNIKFCZGG-VIFPVBQESA-N 1 3 154.257 0.594 10 0 ACAEHO CC[C@H](CCO)[NH+]1CCC(N)CC1 257763229 573215860 /nfs/dbraw/zinc/21/58/60/573215860.db2.gz ZAOHBMGQKWXBES-SNVBAGLBSA-N 1 3 186.299 0.571 10 0 ACAEHO NC[C@@]1(CCO)C[C@@H]2CCCC[N@@H+]2C1 257763045 573216062 /nfs/dbraw/zinc/21/60/62/573216062.db2.gz WFLUSYDBIWZDJD-WDEREUQCSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)C[C@@H]2CCCC[N@H+]2C1 257763045 573216070 /nfs/dbraw/zinc/21/60/70/573216070.db2.gz WFLUSYDBIWZDJD-WDEREUQCSA-N 1 3 198.310 0.572 10 0 ACAEHO COC[C@@]1(CN2CCCC2)CC[NH2+]C1 308517374 573216484 /nfs/dbraw/zinc/21/64/84/573216484.db2.gz VUCKRZFBESLVTQ-NSHDSACASA-N 1 3 198.310 0.708 10 0 ACAEHO [NH3+][C@H]1CC[C@@](F)(CN2CCC2)C1 257973161 573216616 /nfs/dbraw/zinc/21/66/16/573216616.db2.gz YVNFODGFRSBNTQ-IUCAKERBSA-N 1 3 172.247 0.912 10 0 ACAEHO C[N@@H+]1C[C@@H]2CNC[C@H](C1)C2(C)F 257973204 573217744 /nfs/dbraw/zinc/21/77/44/573217744.db2.gz YVYUJRYLVBQTHD-JVHMLUBASA-N 1 3 172.247 0.496 10 0 ACAEHO C[N@H+]1C[C@@H]2CNC[C@H](C1)C2(C)F 257973204 573217751 /nfs/dbraw/zinc/21/77/51/573217751.db2.gz YVYUJRYLVBQTHD-JVHMLUBASA-N 1 3 172.247 0.496 10 0 ACAEHO NC[C@]1(CCO)C[C@@H]2CCCC[N@@H+]2C1 257763044 573217794 /nfs/dbraw/zinc/21/77/94/573217794.db2.gz WFLUSYDBIWZDJD-QWRGUYRKSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)C[C@@H]2CCCC[N@H+]2C1 257763044 573217802 /nfs/dbraw/zinc/21/78/02/573217802.db2.gz WFLUSYDBIWZDJD-QWRGUYRKSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)C[C@H]2CCCC[N@@H+]2C1 257763043 573219423 /nfs/dbraw/zinc/21/94/23/573219423.db2.gz WFLUSYDBIWZDJD-MNOVXSKESA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)C[C@H]2CCCC[N@H+]2C1 257763043 573219427 /nfs/dbraw/zinc/21/94/27/573219427.db2.gz WFLUSYDBIWZDJD-MNOVXSKESA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)CC[N@@H+]2CCCC[C@@H]21 257762104 573219502 /nfs/dbraw/zinc/21/95/02/573219502.db2.gz PNXUODRSULMHKG-MNOVXSKESA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@@]1(CCO)CC[N@H+]2CCCC[C@@H]21 257762104 573219511 /nfs/dbraw/zinc/21/95/11/573219511.db2.gz PNXUODRSULMHKG-MNOVXSKESA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)CC[N@@H+]2CCCC[C@@H]21 257762103 573219651 /nfs/dbraw/zinc/21/96/51/573219651.db2.gz PNXUODRSULMHKG-GHMZBOCLSA-N 1 3 198.310 0.572 10 0 ACAEHO NC[C@]1(CCO)CC[N@H+]2CCCC[C@@H]21 257762103 573219653 /nfs/dbraw/zinc/21/96/53/573219653.db2.gz PNXUODRSULMHKG-GHMZBOCLSA-N 1 3 198.310 0.572 10 0 ACAEHO CNC(=[NH2+])N1CC[C@H]2CC[C@@H](C1)N2C 85975956 573219667 /nfs/dbraw/zinc/21/96/67/573219667.db2.gz RPFZKLRSIWKCOW-BDAKNGLRSA-N 1 3 196.298 0.309 10 0 ACAEHO C[NH2+][C@H](C1CCC1)C1CNC1 259384910 573223779 /nfs/dbraw/zinc/22/37/79/573223779.db2.gz MAQWIXNIKFCZGG-SECBINFHSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[NH2+]CCN1[C@H]1CCCCN1 257767738 573221207 /nfs/dbraw/zinc/22/12/07/573221207.db2.gz FWRKYUIMXDUQLL-UWVGGRQHSA-N 1 3 183.299 0.380 10 0 ACAEHO C[C@@H]1C[NH2+]CCN1[C@H]1CCCCN1 257767739 573223794 /nfs/dbraw/zinc/22/37/94/573223794.db2.gz FWRKYUIMXDUQLL-ZJUUUORDSA-N 1 3 183.299 0.380 10 0 ACAEHO C[N@@H+]1CC[C@H](CO)C12CCNCC2 238309148 573223349 /nfs/dbraw/zinc/22/33/49/573223349.db2.gz DUHDEDFSCGXNOA-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[N@H+]1CC[C@H](CO)C12CCNCC2 238309148 573223353 /nfs/dbraw/zinc/22/33/53/573223353.db2.gz DUHDEDFSCGXNOA-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO CN1CC[C@H](CO)C12CC[NH2+]CC2 238309148 573223358 /nfs/dbraw/zinc/22/33/58/573223358.db2.gz DUHDEDFSCGXNOA-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO CNCC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009584 573226658 /nfs/dbraw/zinc/22/66/58/573226658.db2.gz XPRZHZOJCOUYSY-DTORHVGOSA-N 1 3 156.273 0.794 10 0 ACAEHO CNCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009584 573226665 /nfs/dbraw/zinc/22/66/65/573226665.db2.gz XPRZHZOJCOUYSY-DTORHVGOSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@@H]1CN(C[C@@H](C)[NH3+])C[C@H]1C 86009218 573226626 /nfs/dbraw/zinc/22/66/26/573226626.db2.gz YESPPRWBLULMKT-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO COc1ccc(CC[NH3+])cc1CN 257975799 573227231 /nfs/dbraw/zinc/22/72/31/573227231.db2.gz ZBMOGPROLGDSNV-UHFFFAOYSA-N 1 3 180.251 0.655 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@H]2NCCCO2)C1 258239643 573227369 /nfs/dbraw/zinc/22/73/69/573227369.db2.gz ZOYWWLIXUQJLKB-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@H]2NCCCO2)C1 258239643 573227375 /nfs/dbraw/zinc/22/73/75/573227375.db2.gz ZOYWWLIXUQJLKB-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO CN(C)C[C@@H]1CC2(CC[NH2+]CC2)CO1 238321493 573228162 /nfs/dbraw/zinc/22/81/62/573228162.db2.gz LLRALQCPBKBAHX-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@H](C)[C@@H](C)C1 86009216 573228328 /nfs/dbraw/zinc/22/83/28/573228328.db2.gz YESPPRWBLULMKT-XHNCKOQMSA-N 1 3 156.273 0.921 10 0 ACAEHO CN(C)C[C@H]1[C@H]2CC[C@H](C2)[C@H]1[NH3+] 238321363 573228338 /nfs/dbraw/zinc/22/83/38/573228338.db2.gz LEZQUSSWQQJMAU-QCLAVDOMSA-N 1 3 168.284 0.921 10 0 ACAEHO [NH3+][C@@H](C1CCOCC1)[C@@H]1CCCCN1 259386659 573229267 /nfs/dbraw/zinc/22/92/67/573229267.db2.gz NKQCAEOEAUGNJW-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]1 259039963 573230988 /nfs/dbraw/zinc/23/09/88/573230988.db2.gz PFJPEMINKMCGOT-ZJUUUORDSA-N 1 3 179.267 0.984 10 0 ACAEHO CN1CC[C@@H](C2CC2)[C@@H]1C[NH3+] 238321256 573230756 /nfs/dbraw/zinc/23/07/56/573230756.db2.gz PZFPIINNOCXLGV-IUCAKERBSA-N 1 3 154.257 0.675 10 0 ACAEHO CN(C)C[C@@H]1CCC2(CC[NH2+]CC2)O1 238321510 573230773 /nfs/dbraw/zinc/23/07/73/573230773.db2.gz QSLCPLXGGYSXRP-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO CCCCN(CC[NH3+])CCN(C)C 42691032 573230846 /nfs/dbraw/zinc/23/08/46/573230846.db2.gz AYGDLFHWLCSRAJ-UHFFFAOYSA-N 1 3 187.331 0.609 10 0 ACAEHO CC[NH2+]CCCNC[C@H]1C[C@H]1OC 689904376 573231141 /nfs/dbraw/zinc/23/11/41/573231141.db2.gz UDOHALKXWAOTJA-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCNCCC[NH2+]C[C@H]1C[C@H]1OC 689904376 573231145 /nfs/dbraw/zinc/23/11/45/573231145.db2.gz UDOHALKXWAOTJA-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO CC(C)[NH2+]CCN(C)CCN(C)C 42691148 573231343 /nfs/dbraw/zinc/23/13/43/573231343.db2.gz RIPBRVIADPVSOT-UHFFFAOYSA-N 1 3 187.331 0.478 10 0 ACAEHO CC[C@@H]([C@@H]1CC[NH2+]C1)N(C)C 259386194 573231573 /nfs/dbraw/zinc/23/15/73/573231573.db2.gz GUYKQZDULAQQKO-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@H]([C@@H]1CC[NH2+]C1)N(C)C 259386199 573231634 /nfs/dbraw/zinc/23/16/34/573231634.db2.gz GUYKQZDULAQQKO-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[NH2+]CCCNC[C@@H]1C[C@@H]1OC 689904377 573231735 /nfs/dbraw/zinc/23/17/35/573231735.db2.gz UDOHALKXWAOTJA-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCNCCC[NH2+]C[C@@H]1C[C@@H]1OC 689904377 573231742 /nfs/dbraw/zinc/23/17/42/573231742.db2.gz UDOHALKXWAOTJA-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCN1CC([C@H](F)CC[NH3+])C1 258601786 573231986 /nfs/dbraw/zinc/23/19/86/573231986.db2.gz UZYMPSGVYZEYAA-MRVPVSSYSA-N 1 3 160.236 0.625 10 0 ACAEHO C1C[C@@]2(CNC3CC3)C[NH2+]C[C@H]2CO1 715711639 573232471 /nfs/dbraw/zinc/23/24/71/573232471.db2.gz HEVOLJXDLZSDFQ-ONGXEEELSA-N 1 3 196.294 0.365 10 0 ACAEHO CC(C)CN(CC[NH3+])CCN(C)C 42691091 573232503 /nfs/dbraw/zinc/23/25/03/573232503.db2.gz FUOAANCUZHWWRC-UHFFFAOYSA-N 1 3 187.331 0.465 10 0 ACAEHO CC[NH2+]CCCNC[C@H]1C[C@@H]1OC 689904379 573232570 /nfs/dbraw/zinc/23/25/70/573232570.db2.gz UDOHALKXWAOTJA-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO CCNCCC[NH2+]C[C@H]1C[C@@H]1OC 689904379 573232577 /nfs/dbraw/zinc/23/25/77/573232577.db2.gz UDOHALKXWAOTJA-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]1 259039961 573233158 /nfs/dbraw/zinc/23/31/58/573233158.db2.gz PFJPEMINKMCGOT-VHSXEESVSA-N 1 3 179.267 0.984 10 0 ACAEHO CN(C)CCN(C)CC[NH2+]C1CC1 42691217 573233309 /nfs/dbraw/zinc/23/33/09/573233309.db2.gz UJVILSWUAUTQRH-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc[nH]1 259039958 573233346 /nfs/dbraw/zinc/23/33/46/573233346.db2.gz PFJPEMINKMCGOT-UWVGGRQHSA-N 1 3 179.267 0.984 10 0 ACAEHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc[nH]1 259039956 573233482 /nfs/dbraw/zinc/23/34/82/573233482.db2.gz PFJPEMINKMCGOT-NXEZZACHSA-N 1 3 179.267 0.984 10 0 ACAEHO C[NH2+]CCC(=O)[C@@H]1CCCN(C)C1 259039791 573234188 /nfs/dbraw/zinc/23/41/88/573234188.db2.gz AVKHLCFUCSCGCU-SECBINFHSA-N 1 3 184.283 0.507 10 0 ACAEHO C[NH2+]CCC(=O)[C@H]1CCCN(C)C1 259039792 573234125 /nfs/dbraw/zinc/23/41/25/573234125.db2.gz AVKHLCFUCSCGCU-VIFPVBQESA-N 1 3 184.283 0.507 10 0 ACAEHO CN1CCC([C@@H](O)C[NH+](C)C)CC1 258242659 573235581 /nfs/dbraw/zinc/23/55/81/573235581.db2.gz SDNNHTXWNRNNJW-JTQLQIEISA-N 1 3 186.299 0.251 10 0 ACAEHO CCC(CC)NC[C@@H]1C[NH2+]C[C@H]1O 308526093 573235565 /nfs/dbraw/zinc/23/55/65/573235565.db2.gz XNMHGFGHBAVVJA-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC(CC)[NH2+]C[C@@H]1CNC[C@H]1O 308526093 573235569 /nfs/dbraw/zinc/23/55/69/573235569.db2.gz XNMHGFGHBAVVJA-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO [NH3+][C@H](C1CCOCC1)[C@@H]1CCCCN1 259386663 573237802 /nfs/dbraw/zinc/23/78/02/573237802.db2.gz NKQCAEOEAUGNJW-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO CNCc1cnc([C@@H]2CCC[NH2+]C2)o1 258241909 573237958 /nfs/dbraw/zinc/23/79/58/573237958.db2.gz WIFTYBDOZHDBQC-MRVPVSSYSA-N 1 3 195.266 0.861 10 0 ACAEHO CC[C@](C)(C[NH3+])N(C)CCN(C)C 50091515 573238164 /nfs/dbraw/zinc/23/81/64/573238164.db2.gz CDBSMOSTDBHUQA-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO CN(C)CC[C@H]1CNC[C@H]2CCC[N@H+]12 238314512 573238385 /nfs/dbraw/zinc/23/83/85/573238385.db2.gz JDNKHEAYBGURNP-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CN(C)CC[C@H]1CNC[C@H]2CCC[N@@H+]12 238314512 573238391 /nfs/dbraw/zinc/23/83/91/573238391.db2.gz JDNKHEAYBGURNP-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@@](C)(C[NH3+])N(C)CCN(C)C 50091513 573239949 /nfs/dbraw/zinc/23/99/49/573239949.db2.gz CDBSMOSTDBHUQA-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO NCc1cnoc1C1CC[NH2+]CC1 257977072 573241333 /nfs/dbraw/zinc/24/13/33/573241333.db2.gz ZHQODCPECIBMGE-UHFFFAOYSA-N 1 3 181.239 0.600 10 0 ACAEHO C[C@@H](C[NH+](C)C)Oc1cnccc1N 308522518 573245378 /nfs/dbraw/zinc/24/53/78/573245378.db2.gz YUDGRVQWKASARE-QMMMGPOBSA-N 1 3 195.266 0.993 10 0 ACAEHO C[C@H](C[NH+](C)C)Oc1cnccc1N 308522517 573246451 /nfs/dbraw/zinc/24/64/51/573246451.db2.gz YUDGRVQWKASARE-MRVPVSSYSA-N 1 3 195.266 0.993 10 0 ACAEHO C[NH2+]C[C@@H](C)CNC1CC1 86070480 573246242 /nfs/dbraw/zinc/24/62/42/573246242.db2.gz QJKDKPFDHVKSQJ-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO CN(C)[C@H](CO)[C@@H]1CCC[N@H+](C)C1 259049740 573248013 /nfs/dbraw/zinc/24/80/13/573248013.db2.gz LKVWIHDBFPKDNP-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@H](CO)[C@@H]1CCC[N@@H+](C)C1 259049740 573248016 /nfs/dbraw/zinc/24/80/16/573248016.db2.gz LKVWIHDBFPKDNP-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[C@@H](CN(C)CCC[NH3+])OC 219651329 573247972 /nfs/dbraw/zinc/24/79/72/573247972.db2.gz FKSDRCPMBOARSJ-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CN(C)[C@@H](CO)[C@H]1CCC[N@H+](C)C1 259049741 573248132 /nfs/dbraw/zinc/24/81/32/573248132.db2.gz LKVWIHDBFPKDNP-UWVGGRQHSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@@H](CO)[C@H]1CCC[N@@H+](C)C1 259049741 573248136 /nfs/dbraw/zinc/24/81/36/573248136.db2.gz LKVWIHDBFPKDNP-UWVGGRQHSA-N 1 3 186.299 0.251 10 0 ACAEHO CC(C)[C@H](CCO)[NH2+]C[C@H](C)CN 308322097 573248395 /nfs/dbraw/zinc/24/83/95/573248395.db2.gz BYFXSTAKRIUJAV-ZJUUUORDSA-N 1 3 188.315 0.578 10 0 ACAEHO COCNCC[C@@H]1CCC[N@H+](C)C1 259048267 573248784 /nfs/dbraw/zinc/24/87/84/573248784.db2.gz JRTIDDCVFTVGBF-JTQLQIEISA-N 1 3 186.299 0.912 10 0 ACAEHO COCNCC[C@@H]1CCC[N@@H+](C)C1 259048267 573248792 /nfs/dbraw/zinc/24/87/92/573248792.db2.gz JRTIDDCVFTVGBF-JTQLQIEISA-N 1 3 186.299 0.912 10 0 ACAEHO CC[NH2+][C@H]1CCNC[C@@H]1CC 197781625 573248900 /nfs/dbraw/zinc/24/89/00/573248900.db2.gz LHBSQRRGMXEPTL-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+][C@@H]1CCNC[C@H]1CC 197781637 573249030 /nfs/dbraw/zinc/24/90/30/573249030.db2.gz LHBSQRRGMXEPTL-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)[C@@H](CCO)[NH2+]C[C@H](C)CN 308322092 573249079 /nfs/dbraw/zinc/24/90/79/573249079.db2.gz BYFXSTAKRIUJAV-NXEZZACHSA-N 1 3 188.315 0.578 10 0 ACAEHO NC[C@H](C[NH+]1CCCC1)[C@H]1CCOC1 258247348 573249885 /nfs/dbraw/zinc/24/98/85/573249885.db2.gz SKWHUMARYVPHRN-WDEREUQCSA-N 1 3 198.310 0.694 10 0 ACAEHO CN(C)[C@H](CO)[C@H]1CCC[N@H+](C)C1 259049742 573249901 /nfs/dbraw/zinc/24/99/01/573249901.db2.gz LKVWIHDBFPKDNP-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@H](CO)[C@H]1CCC[N@@H+](C)C1 259049742 573249907 /nfs/dbraw/zinc/24/99/07/573249907.db2.gz LKVWIHDBFPKDNP-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CN[C@@]12C=C[C@@](C)(C1)[C@@H]1C[NH2+]C[C@@H]12 238316855 573249944 /nfs/dbraw/zinc/24/99/44/573249944.db2.gz QPELIQHQTINLOR-RCWTZXSCSA-N 1 3 178.279 0.760 10 0 ACAEHO CC(C)[C@H](CCO)[NH2+]C[C@@H](C)CN 308322093 573251113 /nfs/dbraw/zinc/25/11/13/573251113.db2.gz BYFXSTAKRIUJAV-UWVGGRQHSA-N 1 3 188.315 0.578 10 0 ACAEHO CC[C@@H]([NH2+]C)C1(CNC)CC1 259392476 573252315 /nfs/dbraw/zinc/25/23/15/573252315.db2.gz MJQDIZRTZULHOO-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)[C@@H](O)CN[C@@H](C)C1C[NH2+]C1 686242604 573252622 /nfs/dbraw/zinc/25/26/22/573252622.db2.gz DXMLAXVLIVFOBH-WPRPVWTQSA-N 1 3 186.299 0.201 10 0 ACAEHO CC(C)[C@@H](O)C[NH2+][C@@H](C)C1CNC1 686242604 573252629 /nfs/dbraw/zinc/25/26/29/573252629.db2.gz DXMLAXVLIVFOBH-WPRPVWTQSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@@H](CO)CCC[NH2+]C[C@H](C)CN 308327935 573253690 /nfs/dbraw/zinc/25/36/90/573253690.db2.gz IDOSEUKRHZCJJT-NXEZZACHSA-N 1 3 188.315 0.579 10 0 ACAEHO COC[C@]1(C)C[C@@H]([C@H]2CCC[NH2+]2)CN1 258260129 573252724 /nfs/dbraw/zinc/25/27/24/573252724.db2.gz REGDMXHFIDQEPS-MXWKQRLJSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H](CN)C[NH2+]C(C)(C)C(C)(C)O 308328305 573252748 /nfs/dbraw/zinc/25/27/48/573252748.db2.gz ILMWXBAUQNNMNY-QMMMGPOBSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@H]1CCC[C@@H]1O 308328127 573252765 /nfs/dbraw/zinc/25/27/65/573252765.db2.gz IHBWWAYFDRLQQH-UTLUCORTSA-N 1 3 186.299 0.332 10 0 ACAEHO CN1CC[C@@H](NCC[C@@H]2CCC[NH2+]2)C1 259056195 573252866 /nfs/dbraw/zinc/25/28/66/573252866.db2.gz QTSFTYHLPKZSBU-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO COCC1(CNC[C@H](C)[NH3+])CCC1 308328751 573252879 /nfs/dbraw/zinc/25/28/79/573252879.db2.gz IYIONPZNAYVGSQ-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO CN1CCCN([C@H]2CCC[NH2+]2)CC1 258251798 573252969 /nfs/dbraw/zinc/25/29/69/573252969.db2.gz SVFXTVWAWPJWGA-JTQLQIEISA-N 1 3 183.299 0.333 10 0 ACAEHO COC[C@]1(C)C[C@H]([C@@H]2CCC[NH2+]2)CN1 258260125 573253027 /nfs/dbraw/zinc/25/30/27/573253027.db2.gz REGDMXHFIDQEPS-DCAQKATOSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@H]1CCC[C@@H]1O 308328124 573253070 /nfs/dbraw/zinc/25/30/70/573253070.db2.gz IHBWWAYFDRLQQH-BBBLOLIVSA-N 1 3 186.299 0.332 10 0 ACAEHO COCC1(CNC[C@@H](C)[NH3+])CCC1 308328750 573253168 /nfs/dbraw/zinc/25/31/68/573253168.db2.gz IYIONPZNAYVGSQ-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@H]1CCC[C@H]1O 308328126 573253406 /nfs/dbraw/zinc/25/34/06/573253406.db2.gz IHBWWAYFDRLQQH-OPRDCNLKSA-N 1 3 186.299 0.332 10 0 ACAEHO CC(C)[C@H](O)CN[C@H](C)C1C[NH2+]C1 686242601 573253527 /nfs/dbraw/zinc/25/35/27/573253527.db2.gz DXMLAXVLIVFOBH-PSASIEDQSA-N 1 3 186.299 0.201 10 0 ACAEHO CC(C)[C@H](O)C[NH2+][C@H](C)C1CNC1 686242601 573253531 /nfs/dbraw/zinc/25/35/31/573253531.db2.gz DXMLAXVLIVFOBH-PSASIEDQSA-N 1 3 186.299 0.201 10 0 ACAEHO C[N@@H+]1CCNC[C@H](CC2CC2)C1 238317894 573253534 /nfs/dbraw/zinc/25/35/34/573253534.db2.gz MXUPWPLCQFBHLH-JTQLQIEISA-N 1 3 168.284 0.938 10 0 ACAEHO C[N@H+]1CCNC[C@H](CC2CC2)C1 238317894 573253537 /nfs/dbraw/zinc/25/35/37/573253537.db2.gz MXUPWPLCQFBHLH-JTQLQIEISA-N 1 3 168.284 0.938 10 0 ACAEHO C[N@@H+]1CCNC[C@@H](CC2CC2)C1 238317851 573253594 /nfs/dbraw/zinc/25/35/94/573253594.db2.gz MXUPWPLCQFBHLH-SNVBAGLBSA-N 1 3 168.284 0.938 10 0 ACAEHO C[N@H+]1CCNC[C@@H](CC2CC2)C1 238317851 573253599 /nfs/dbraw/zinc/25/35/99/573253599.db2.gz MXUPWPLCQFBHLH-SNVBAGLBSA-N 1 3 168.284 0.938 10 0 ACAEHO CN1CC[C@H](NCC[C@@H]2CCC[NH2+]2)C1 259056193 573254096 /nfs/dbraw/zinc/25/40/96/573254096.db2.gz QTSFTYHLPKZSBU-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@H](C2([NH3+])CC2)C12CC2 258611309 573254289 /nfs/dbraw/zinc/25/42/89/573254289.db2.gz VXGJZJVBWJPKHS-MRVPVSSYSA-N 1 3 166.268 0.962 10 0 ACAEHO C[N@@H+]1CC[C@H](C2(N)CC2)C12CC2 258611309 573254295 /nfs/dbraw/zinc/25/42/95/573254295.db2.gz VXGJZJVBWJPKHS-MRVPVSSYSA-N 1 3 166.268 0.962 10 0 ACAEHO C[N@H+]1CC[C@H](C2(N)CC2)C12CC2 258611309 573254302 /nfs/dbraw/zinc/25/43/02/573254302.db2.gz VXGJZJVBWJPKHS-MRVPVSSYSA-N 1 3 166.268 0.962 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCC[C@@H](C)CO 308328055 573254449 /nfs/dbraw/zinc/25/44/49/573254449.db2.gz IDOSEUKRHZCJJT-ZJUUUORDSA-N 1 3 188.315 0.579 10 0 ACAEHO COC[C@]1(C)C[C@H]([C@H]2CCC[NH2+]2)CN1 258260122 573254499 /nfs/dbraw/zinc/25/44/99/573254499.db2.gz REGDMXHFIDQEPS-AXFHLTTASA-N 1 3 198.310 0.753 10 0 ACAEHO CN1CC[C@H](C(=O)CC(C)(C)[NH3+])C1 259053261 573254702 /nfs/dbraw/zinc/25/47/02/573254702.db2.gz CCEGVIYMDGYLSG-QMMMGPOBSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H](CO)CCC[NH2+]C[C@@H](C)CN 308327937 573254974 /nfs/dbraw/zinc/25/49/74/573254974.db2.gz IDOSEUKRHZCJJT-UWVGGRQHSA-N 1 3 188.315 0.579 10 0 ACAEHO C[C@@H]([NH3+])C1(F)CCN(C)CC1 258613267 573255158 /nfs/dbraw/zinc/25/51/58/573255158.db2.gz VZMFHVDJSXZYKE-SSDOTTSWSA-N 1 3 160.236 0.768 10 0 ACAEHO CC(C)[C@H](O)CN[C@@H](C)C1C[NH2+]C1 686242603 573255241 /nfs/dbraw/zinc/25/52/41/573255241.db2.gz DXMLAXVLIVFOBH-WCBMZHEXSA-N 1 3 186.299 0.201 10 0 ACAEHO CC(C)[C@H](O)C[NH2+][C@@H](C)C1CNC1 686242603 573255247 /nfs/dbraw/zinc/25/52/47/573255247.db2.gz DXMLAXVLIVFOBH-WCBMZHEXSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H]([NH3+])C1(F)CCN(C)CC1 258613275 573255975 /nfs/dbraw/zinc/25/59/75/573255975.db2.gz VZMFHVDJSXZYKE-ZETCQYMHSA-N 1 3 160.236 0.768 10 0 ACAEHO C[NH2+][C@@H](CN)c1ccc2nc[nH]c2c1 259052938 573256062 /nfs/dbraw/zinc/25/60/62/573256062.db2.gz LTWBFXBXPXFHHW-JTQLQIEISA-N 1 3 190.250 0.782 10 0 ACAEHO CN1CCCN([C@@H]2CCC[NH2+]2)CC1 258251801 573256073 /nfs/dbraw/zinc/25/60/73/573256073.db2.gz SVFXTVWAWPJWGA-SNVBAGLBSA-N 1 3 183.299 0.333 10 0 ACAEHO CC(C)[C@@H](O)CN[C@H](C)C1C[NH2+]C1 686242602 573256083 /nfs/dbraw/zinc/25/60/83/573256083.db2.gz DXMLAXVLIVFOBH-SCZZXKLOSA-N 1 3 186.299 0.201 10 0 ACAEHO CC(C)[C@@H](O)C[NH2+][C@H](C)C1CNC1 686242602 573256088 /nfs/dbraw/zinc/25/60/88/573256088.db2.gz DXMLAXVLIVFOBH-SCZZXKLOSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](N(C)C[C@H](O)C[NH3+])C(C)(C)C 42746924 573256390 /nfs/dbraw/zinc/25/63/90/573256390.db2.gz QTZOUVDPFYHRGC-DTWKUNHWSA-N 1 3 188.315 0.672 10 0 ACAEHO COC[C@]1(C)C[C@@H]([C@@H]2CCC[NH2+]2)CN1 258260132 573256395 /nfs/dbraw/zinc/25/63/95/573256395.db2.gz REGDMXHFIDQEPS-VWYCJHECSA-N 1 3 198.310 0.753 10 0 ACAEHO CN1CC[C@@H](C2([NH3+])CC2)C12CC2 258611312 573256715 /nfs/dbraw/zinc/25/67/15/573256715.db2.gz VXGJZJVBWJPKHS-QMMMGPOBSA-N 1 3 166.268 0.962 10 0 ACAEHO C[N@@H+]1CC[C@@H](C2(N)CC2)C12CC2 258611312 573256719 /nfs/dbraw/zinc/25/67/19/573256719.db2.gz VXGJZJVBWJPKHS-QMMMGPOBSA-N 1 3 166.268 0.962 10 0 ACAEHO C[N@H+]1CC[C@@H](C2(N)CC2)C12CC2 258611312 573256724 /nfs/dbraw/zinc/25/67/24/573256724.db2.gz VXGJZJVBWJPKHS-QMMMGPOBSA-N 1 3 166.268 0.962 10 0 ACAEHO CCOCCNC[C@H](C)C[NH+](C)C 308329043 573257404 /nfs/dbraw/zinc/25/74/04/573257404.db2.gz JEWCUYYFNQDXOP-JTQLQIEISA-N 1 3 188.315 0.810 10 0 ACAEHO [NH3+]C1(CNCCc2ccccn2)CC1 259055774 573257527 /nfs/dbraw/zinc/25/75/27/573257527.db2.gz KKAHIKZPAUIHIU-UHFFFAOYSA-N 1 3 191.278 0.705 10 0 ACAEHO CN1CC[C@H](C(=O)C2(C[NH3+])CCC2)C1 259058811 573258637 /nfs/dbraw/zinc/25/86/37/573258637.db2.gz CNAUIHVPVSCFMS-VIFPVBQESA-N 1 3 196.294 0.636 10 0 ACAEHO CC[C@H](C[NH3+])CN[C@H]1CCN(C)C1 259057637 573258662 /nfs/dbraw/zinc/25/86/62/573258662.db2.gz SPQDRANGFRKXBJ-ZJUUUORDSA-N 1 3 185.315 0.265 10 0 ACAEHO CC[N@H+]1C[C@@H]2CNC[C@H](C1)C2F 257981302 573259387 /nfs/dbraw/zinc/25/93/87/573259387.db2.gz ZRPVUEPGGGMDII-JVHMLUBASA-N 1 3 172.247 0.496 10 0 ACAEHO CN1CC[C@@H]([C@@H](O)C[NH+]2CCCC2)C1 258263541 573259437 /nfs/dbraw/zinc/25/94/37/573259437.db2.gz UEBIVWGHJUNXDA-MNOVXSKESA-N 1 3 198.310 0.395 10 0 ACAEHO C[N@@H+]1CC[C@@H](CC[C@@H]2COCCN2)C1 259058194 573259469 /nfs/dbraw/zinc/25/94/69/573259469.db2.gz FPNBOWWXZHZTJD-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@@H](CC[C@@H]2COCCN2)C1 259058194 573259473 /nfs/dbraw/zinc/25/94/73/573259473.db2.gz FPNBOWWXZHZTJD-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO COC[C@@H]1C[C@H]([C@@H]2CCCN2C)C[NH2+]1 258262260 573260231 /nfs/dbraw/zinc/26/02/31/573260231.db2.gz RGWSHKXEQIFTJS-DCAQKATOSA-N 1 3 198.310 0.705 10 0 ACAEHO C[C@H](OCCN1CCCCC1)C(N)=[NH2+] 308531230 573260261 /nfs/dbraw/zinc/26/02/61/573260261.db2.gz KGCZEJWHBKECEQ-VIFPVBQESA-N 1 3 199.298 0.813 10 0 ACAEHO CC[C@@H](C[NH3+])CN[C@H]1CCN(C)C1 259057628 573260464 /nfs/dbraw/zinc/26/04/64/573260464.db2.gz SPQDRANGFRKXBJ-UWVGGRQHSA-N 1 3 185.315 0.265 10 0 ACAEHO CN1CC[C@H]([C@@H](O)C[NH+]2CCCC2)C1 258263544 573260478 /nfs/dbraw/zinc/26/04/78/573260478.db2.gz UEBIVWGHJUNXDA-QWRGUYRKSA-N 1 3 198.310 0.395 10 0 ACAEHO C[C@@H](C[C@](C)(N)CO)[NH+](C)C 82885176 573260516 /nfs/dbraw/zinc/26/05/16/573260516.db2.gz WLILLCHWKYUMII-YUMQZZPRSA-N 1 3 160.261 0.036 10 0 ACAEHO COC[C@@H]1C[C@@H]([C@H]2CCCN2C)C[NH2+]1 258262266 573260533 /nfs/dbraw/zinc/26/05/33/573260533.db2.gz RGWSHKXEQIFTJS-OUAUKWLOSA-N 1 3 198.310 0.705 10 0 ACAEHO CC[C@H](C[NH3+])[C@@H](N)c1cc[nH]c1 259393999 573260720 /nfs/dbraw/zinc/26/07/20/573260720.db2.gz LNLIVIQNZRLFNC-VXNVDRBHSA-N 1 3 167.256 0.999 10 0 ACAEHO CC[C@H](C[NH3+])CN[C@@H]1CCN(C)C1 259057624 573260886 /nfs/dbraw/zinc/26/08/86/573260886.db2.gz SPQDRANGFRKXBJ-NXEZZACHSA-N 1 3 185.315 0.265 10 0 ACAEHO CN1CC[C@@H]([C@H](O)C[NH+]2CCCC2)C1 258263538 573261539 /nfs/dbraw/zinc/26/15/39/573261539.db2.gz UEBIVWGHJUNXDA-GHMZBOCLSA-N 1 3 198.310 0.395 10 0 ACAEHO C[C@@H](CCCO)[NH2+][C@H](C)C1CNC1 686243976 573261653 /nfs/dbraw/zinc/26/16/53/573261653.db2.gz XHCJRKZKQJHMDI-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CCCO)N[C@H](C)C1C[NH2+]C1 686243976 573261655 /nfs/dbraw/zinc/26/16/55/573261655.db2.gz XHCJRKZKQJHMDI-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO COC(=O)CCCNC[C@H](C)C[NH3+] 308332613 573261762 /nfs/dbraw/zinc/26/17/62/573261762.db2.gz LRASVGDMGBWIJT-MRVPVSSYSA-N 1 3 188.271 0.124 10 0 ACAEHO COC(=O)CCC[NH2+]C[C@H](C)CN 308332613 573261769 /nfs/dbraw/zinc/26/17/69/573261769.db2.gz LRASVGDMGBWIJT-MRVPVSSYSA-N 1 3 188.271 0.124 10 0 ACAEHO CCN(CC[C@](C)([NH3+])CO)C(C)C 82885791 573261947 /nfs/dbraw/zinc/26/19/47/573261947.db2.gz KNYVRHCXSCLIAN-JTQLQIEISA-N 1 3 188.315 0.817 10 0 ACAEHO C[N@@H+]1CC[C@H](CC[C@H]2COCCN2)C1 259058205 573262062 /nfs/dbraw/zinc/26/20/62/573262062.db2.gz FPNBOWWXZHZTJD-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CC[C@H](CC[C@H]2COCCN2)C1 259058205 573262067 /nfs/dbraw/zinc/26/20/67/573262067.db2.gz FPNBOWWXZHZTJD-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H](OCCN1CCCCC1)C(N)=[NH2+] 308531229 573262133 /nfs/dbraw/zinc/26/21/33/573262133.db2.gz KGCZEJWHBKECEQ-SECBINFHSA-N 1 3 199.298 0.813 10 0 ACAEHO CNC[C@@H](C[NH3+])c1cccc(O)c1 257981896 573262309 /nfs/dbraw/zinc/26/23/09/573262309.db2.gz CQDVEKIGBXYTHN-SECBINFHSA-N 1 3 180.251 0.654 10 0 ACAEHO [NH3+][C@H]1C=C[C@H](CN2CCOCC2)C1 86094072 573265754 /nfs/dbraw/zinc/26/57/54/573265754.db2.gz GNFZGGSEKSXXPZ-UWVGGRQHSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@@H]1CN(C[C@H]2C=C[C@@H]([NH3+])C2)CCO1 86094140 573263200 /nfs/dbraw/zinc/26/32/00/573263200.db2.gz RHPYBYHUMBSHGQ-OUAUKWLOSA-N 1 3 196.294 0.611 10 0 ACAEHO C[C@H]([NH2+][C@H](C)[C@H](C)CO)C1CNC1 686243945 573263298 /nfs/dbraw/zinc/26/32/98/573263298.db2.gz WZOVOPGDNDJGPF-HLTSFMKQSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](N[C@H](C)[C@H](C)CO)C1C[NH2+]C1 686243945 573263304 /nfs/dbraw/zinc/26/33/04/573263304.db2.gz WZOVOPGDNDJGPF-HLTSFMKQSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H]([NH2+][C@H](C)CCCO)C1CNC1 686243975 573263514 /nfs/dbraw/zinc/26/35/14/573263514.db2.gz XHCJRKZKQJHMDI-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](N[C@H](C)CCCO)C1C[NH2+]C1 686243975 573263517 /nfs/dbraw/zinc/26/35/17/573263517.db2.gz XHCJRKZKQJHMDI-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]1COCCN1C[C@H]1C=C[C@@H]([NH3+])C1 86094473 573263579 /nfs/dbraw/zinc/26/35/79/573263579.db2.gz GUCSLVBVYKPHMJ-OUAUKWLOSA-N 1 3 196.294 0.611 10 0 ACAEHO C[NH2+][C@H](CN)c1ccc2nc[nH]c2c1 259052942 573263710 /nfs/dbraw/zinc/26/37/10/573263710.db2.gz LTWBFXBXPXFHHW-SNVBAGLBSA-N 1 3 190.250 0.782 10 0 ACAEHO CC1(C)CNCC[N@H+](CCCO)C1 257982958 573263721 /nfs/dbraw/zinc/26/37/21/573263721.db2.gz FDXVASKVUHBXIM-UHFFFAOYSA-N 1 3 186.299 0.300 10 0 ACAEHO CC1(C)CNCC[N@@H+](CCCO)C1 257982958 573263722 /nfs/dbraw/zinc/26/37/22/573263722.db2.gz FDXVASKVUHBXIM-UHFFFAOYSA-N 1 3 186.299 0.300 10 0 ACAEHO [NH3+][C@@H]1C=C[C@@H](CN2CCOCC2)C1 86094070 573263808 /nfs/dbraw/zinc/26/38/08/573263808.db2.gz GNFZGGSEKSXXPZ-NXEZZACHSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@H]([NH3+])Cc1coc([C@@H]2CCCN2)n1 258268864 573263828 /nfs/dbraw/zinc/26/38/28/573263828.db2.gz XSBMEZOEGJXKOR-CBAPKCEASA-N 1 3 195.266 0.989 10 0 ACAEHO C[NH2+]Cc1cc(CN)n(C)c1 258615751 573263837 /nfs/dbraw/zinc/26/38/37/573263837.db2.gz WFNYFZQTAZBDQA-UHFFFAOYSA-N 1 3 153.229 0.203 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)[C@H](C)CO)C1CNC1 686243957 573263931 /nfs/dbraw/zinc/26/39/31/573263931.db2.gz WZOVOPGDNDJGPF-VGMNWLOBSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](N[C@@H](C)[C@H](C)CO)C1C[NH2+]C1 686243957 573263936 /nfs/dbraw/zinc/26/39/36/573263936.db2.gz WZOVOPGDNDJGPF-VGMNWLOBSA-N 1 3 186.299 0.201 10 0 ACAEHO [NH3+][C@@H](CNC1CC1)[C@@H]1CCSC1 258268051 573264082 /nfs/dbraw/zinc/26/40/82/573264082.db2.gz UKGLIBXPTSWXGF-APPZFPTMSA-N 1 3 186.324 0.819 10 0 ACAEHO [NH3+][C@@H](CNC1CC1)[C@H]1CCSC1 258268052 573264219 /nfs/dbraw/zinc/26/42/19/573264219.db2.gz UKGLIBXPTSWXGF-CBAPKCEASA-N 1 3 186.324 0.819 10 0 ACAEHO CCO[C@@]1(C[NH3+])CCCNC1 257984800 573264254 /nfs/dbraw/zinc/26/42/54/573264254.db2.gz BGTVTYMQBSNHRV-MRVPVSSYSA-N 1 3 158.245 0.104 10 0 ACAEHO CN1CCN(C[C@H]2C=C[C@H]([NH3+])C2)CC1 86094101 573264257 /nfs/dbraw/zinc/26/42/57/573264257.db2.gz DUVSETJRHYWVOJ-QWRGUYRKSA-N 1 3 195.310 0.137 10 0 ACAEHO CN1CC[C@@H]2CC[C@@H](CN)[N@@H+]2CC1 238327603 573264553 /nfs/dbraw/zinc/26/45/53/573264553.db2.gz CCXAWOYMQXLGQX-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@@H]2CC[C@@H](CN)[N@H+]2CC1 238327603 573264558 /nfs/dbraw/zinc/26/45/58/573264558.db2.gz CCXAWOYMQXLGQX-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO COCCNCC[C@@H]([NH3+])C(C)C 129262554 573264600 /nfs/dbraw/zinc/26/46/00/573264600.db2.gz QJTQDTFNDXZDKU-SECBINFHSA-N 1 3 174.288 0.596 10 0 ACAEHO CN1CCN(C[C@@H]2C=C[C@@H]([NH3+])C2)CC1 86094098 573264791 /nfs/dbraw/zinc/26/47/91/573264791.db2.gz DUVSETJRHYWVOJ-GHMZBOCLSA-N 1 3 195.310 0.137 10 0 ACAEHO CN1CC[C@@H]2CC[C@@H](CCN)[N@@H+]2CC1 238327564 573265147 /nfs/dbraw/zinc/26/51/47/573265147.db2.gz IUDZFJWUJRCPPS-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CC[C@@H]2CC[C@@H](CCN)[N@H+]2CC1 238327564 573265153 /nfs/dbraw/zinc/26/51/53/573265153.db2.gz IUDZFJWUJRCPPS-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO COCCNCC[C@H]([NH3+])C(C)C 129262751 573265163 /nfs/dbraw/zinc/26/51/63/573265163.db2.gz QJTQDTFNDXZDKU-VIFPVBQESA-N 1 3 174.288 0.596 10 0 ACAEHO CN(C)C[C@H]1CC2(CC[NH2+]CC2)CO1 238327504 573265483 /nfs/dbraw/zinc/26/54/83/573265483.db2.gz LLRALQCPBKBAHX-SNVBAGLBSA-N 1 3 198.310 0.707 10 0 ACAEHO CN1CCN(C[C@H]2C=C[C@@H]([NH3+])C2)CC1 86094096 573265574 /nfs/dbraw/zinc/26/55/74/573265574.db2.gz DUVSETJRHYWVOJ-WDEREUQCSA-N 1 3 195.310 0.137 10 0 ACAEHO [NH3+][C@H](CNC1CC1)[C@@H]1CCSC1 258268055 573265601 /nfs/dbraw/zinc/26/56/01/573265601.db2.gz UKGLIBXPTSWXGF-VXNVDRBHSA-N 1 3 186.324 0.819 10 0 ACAEHO CCCN(C1CC([NH3+])C1)[C@H]1CCOC1 308533072 573265945 /nfs/dbraw/zinc/26/59/45/573265945.db2.gz RCFCWQDRQXSKCP-YVNMAJEFSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+][C@@H]1C=C[C@H](CN2CCOCC2)C1 86094067 573265955 /nfs/dbraw/zinc/26/59/55/573265955.db2.gz GNFZGGSEKSXXPZ-VHSXEESVSA-N 1 3 182.267 0.222 10 0 ACAEHO CN1CC=C(C(C)(C)[NH3+])CC1 257986818 573266127 /nfs/dbraw/zinc/26/61/27/573266127.db2.gz BNJLUDMAOKDBQW-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO [NH3+][C@H](CNC1CC1)[C@H]1CCSC1 258268053 573266543 /nfs/dbraw/zinc/26/65/43/573266543.db2.gz UKGLIBXPTSWXGF-IONNQARKSA-N 1 3 186.324 0.819 10 0 ACAEHO C[C@@H]([NH3+])Cc1coc([C@@H]2CCCN2)n1 258268862 573266688 /nfs/dbraw/zinc/26/66/88/573266688.db2.gz XSBMEZOEGJXKOR-APPZFPTMSA-N 1 3 195.266 0.989 10 0 ACAEHO [NH3+][C@H]1C=C[C@@H](CN2CCOCC2)C1 86094076 573266693 /nfs/dbraw/zinc/26/66/93/573266693.db2.gz GNFZGGSEKSXXPZ-ZJUUUORDSA-N 1 3 182.267 0.222 10 0 ACAEHO CN1CC[C@H](c2nc(CC[NH3+])co2)C1 258266793 573266730 /nfs/dbraw/zinc/26/67/30/573266730.db2.gz XQHLOPVIBICYRM-QMMMGPOBSA-N 1 3 195.266 0.595 10 0 ACAEHO C[C@H]([NH3+])Cc1coc([C@H]2CCCN2)n1 258268865 573267727 /nfs/dbraw/zinc/26/77/27/573267727.db2.gz XSBMEZOEGJXKOR-IONNQARKSA-N 1 3 195.266 0.989 10 0 ACAEHO C[C@](O)(CNC1CC([NH3+])C1)C1CC1 308341622 573267413 /nfs/dbraw/zinc/26/74/13/573267413.db2.gz RIIPNYHSTZKQOT-RTBKNWGFSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@](O)(C[NH2+]C1CC(N)C1)C1CC1 308341622 573267417 /nfs/dbraw/zinc/26/74/17/573267417.db2.gz RIIPNYHSTZKQOT-RTBKNWGFSA-N 1 3 184.283 0.227 10 0 ACAEHO CCCN(C1CC([NH3+])C1)[C@@H]1CCOC1 308533070 573267767 /nfs/dbraw/zinc/26/77/67/573267767.db2.gz RCFCWQDRQXSKCP-HSOILSAZSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]([NH3+])Cc1coc([C@H]2CCCN2)n1 258268868 573267839 /nfs/dbraw/zinc/26/78/39/573267839.db2.gz XSBMEZOEGJXKOR-VXNVDRBHSA-N 1 3 195.266 0.989 10 0 ACAEHO C[C@]1(N2CCC([NH3+])CC2)CCCOC1 235751122 573268196 /nfs/dbraw/zinc/26/81/96/573268196.db2.gz CMVDIYYRCCLREZ-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@]1([N@@H+]2CCCNCC2)CCCOC1 235751277 573268245 /nfs/dbraw/zinc/26/82/45/573268245.db2.gz RYIGBSCLYBXNMP-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@]1([N@H+]2CCCNCC2)CCCOC1 235751277 573268253 /nfs/dbraw/zinc/26/82/53/573268253.db2.gz RYIGBSCLYBXNMP-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO [NH3+]C[C@@H]([C@H]1CCCOC1)N1CCCC1 74237005 573269154 /nfs/dbraw/zinc/26/91/54/573269154.db2.gz WMCIIRCMYMKDJF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO CN1CC[C@@H](c2nc(CC[NH3+])co2)C1 258266789 573268342 /nfs/dbraw/zinc/26/83/42/573268342.db2.gz XQHLOPVIBICYRM-MRVPVSSYSA-N 1 3 195.266 0.595 10 0 ACAEHO C[N@@H+]1CC[C@@H]2C[C@@H](N)[C@@H]2C1 238328084 573268400 /nfs/dbraw/zinc/26/84/00/573268400.db2.gz AXLXLEDVWVHUSY-BWZBUEFSSA-N 1 3 140.230 0.285 10 0 ACAEHO C[N@H+]1CC[C@@H]2C[C@@H](N)[C@@H]2C1 238328084 573268407 /nfs/dbraw/zinc/26/84/07/573268407.db2.gz AXLXLEDVWVHUSY-BWZBUEFSSA-N 1 3 140.230 0.285 10 0 ACAEHO NC[C@H](F)[C@H]1CCC[NH2+]C1 257986786 573268617 /nfs/dbraw/zinc/26/86/17/573268617.db2.gz BMTASJRODLZFCJ-BQBZGAKWSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@]1([N@@H+]2CCC[C@@H](N)C2)CCCOC1 235751387 573268663 /nfs/dbraw/zinc/26/86/63/573268663.db2.gz OKUYTYKWMGFPLV-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@]1([N@H+]2CCC[C@@H](N)C2)CCCOC1 235751387 573268666 /nfs/dbraw/zinc/26/86/66/573268666.db2.gz OKUYTYKWMGFPLV-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])[C@H]1CCOC1 258270115 573268763 /nfs/dbraw/zinc/26/87/63/573268763.db2.gz UMRKHCTVZHSUBU-DTWKUNHWSA-N 1 3 172.272 0.159 10 0 ACAEHO C1CCC(N[C@@H]2CCCN2)=[NH+]C1 257778918 573268876 /nfs/dbraw/zinc/26/88/76/573268876.db2.gz ICPNHXFJBQEJHV-SECBINFHSA-N 1 3 167.256 0.868 10 0 ACAEHO C[C@]1([N@@H+]2CC[C@@H](CN)C2)CCCOC1 235751746 573268909 /nfs/dbraw/zinc/26/89/09/573268909.db2.gz RCXMBLCAPYIWOU-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1([N@H+]2CC[C@@H](CN)C2)CCCOC1 235751746 573268914 /nfs/dbraw/zinc/26/89/14/573268914.db2.gz RCXMBLCAPYIWOU-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(N2CC[C@@H](C[NH3+])C2)CCCOC1 235751746 573268919 /nfs/dbraw/zinc/26/89/19/573268919.db2.gz RCXMBLCAPYIWOU-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H](CO)C[NH2+]C[C@H](C)CN(C)C 308338165 573268962 /nfs/dbraw/zinc/26/89/62/573268962.db2.gz PGNQBRPIGUEVID-UWVGGRQHSA-N 1 3 188.315 0.402 10 0 ACAEHO NC[C@@H](F)[C@@H]1CCC[NH2+]C1 257986791 573269107 /nfs/dbraw/zinc/26/91/07/573269107.db2.gz BMTASJRODLZFCJ-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO NC[C@H](F)[C@@H]1CCC[NH2+]C1 257986793 573269402 /nfs/dbraw/zinc/26/94/02/573269402.db2.gz BMTASJRODLZFCJ-RQJHMYQMSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@H](O)CN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750469 573269426 /nfs/dbraw/zinc/26/94/26/573269426.db2.gz SSYKFVMMELQRAZ-BFARCFIYSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750469 573269431 /nfs/dbraw/zinc/26/94/31/573269431.db2.gz SSYKFVMMELQRAZ-BFARCFIYSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750469 573269437 /nfs/dbraw/zinc/26/94/37/573269437.db2.gz SSYKFVMMELQRAZ-BFARCFIYSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](C[NH2+]C[C@@H](C)CO)CN(C)C 308338166 573269478 /nfs/dbraw/zinc/26/94/78/573269478.db2.gz PGNQBRPIGUEVID-VHSXEESVSA-N 1 3 188.315 0.402 10 0 ACAEHO NC[C@@H](F)[C@H]1CCC[NH2+]C1 257986788 573269677 /nfs/dbraw/zinc/26/96/77/573269677.db2.gz BMTASJRODLZFCJ-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO [NH3+]CC1(CNc2ccncc2)COC1 259063823 573269768 /nfs/dbraw/zinc/26/97/68/573269768.db2.gz TUKXYTUHSXWNCA-UHFFFAOYSA-N 1 3 193.250 0.469 10 0 ACAEHO COCCC[NH2+]C[C@H](C)CN(C)C 308337745 573269895 /nfs/dbraw/zinc/26/98/95/573269895.db2.gz OXMWGMWHOOXDEQ-JTQLQIEISA-N 1 3 188.315 0.810 10 0 ACAEHO COCCC[NH2+]C[C@@H](C)CN(C)C 308337750 573270501 /nfs/dbraw/zinc/27/05/01/573270501.db2.gz OXMWGMWHOOXDEQ-SNVBAGLBSA-N 1 3 188.315 0.810 10 0 ACAEHO CN(C)C[C@H](C[NH3+])[C@H]1CCOC1 258270117 573270581 /nfs/dbraw/zinc/27/05/81/573270581.db2.gz UMRKHCTVZHSUBU-IUCAKERBSA-N 1 3 172.272 0.159 10 0 ACAEHO CNC[C@@H](C[NH3+])c1ccncc1 258273381 573270636 /nfs/dbraw/zinc/27/06/36/573270636.db2.gz MWODEIZBROENPM-SECBINFHSA-N 1 3 165.240 0.343 10 0 ACAEHO [NH3+]C[C@H]([C@H]1CCCOC1)N1CCCC1 74237007 573272429 /nfs/dbraw/zinc/27/24/29/573272429.db2.gz WMCIIRCMYMKDJF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@](C)(O)CN)C1 82905915 573272472 /nfs/dbraw/zinc/27/24/72/573272472.db2.gz OPOMYNGDZCUOQQ-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@](C)(O)CN)C1 82905915 573272476 /nfs/dbraw/zinc/27/24/76/573272476.db2.gz OPOMYNGDZCUOQQ-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H](CN1CCCN(C)CC1)[NH2+]C 50179131 573272488 /nfs/dbraw/zinc/27/24/88/573272488.db2.gz OQBSGCXNYCEBLC-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC(C)(O)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750464 573272568 /nfs/dbraw/zinc/27/25/68/573272568.db2.gz DXWHXXQFELLSSF-PBINXNQUSA-N 1 3 198.310 0.711 10 0 ACAEHO CC(C)(O)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750464 573272572 /nfs/dbraw/zinc/27/25/72/573272572.db2.gz DXWHXXQFELLSSF-PBINXNQUSA-N 1 3 198.310 0.711 10 0 ACAEHO CCN(CC)C[C@](C)(O)C[NH3+] 82915282 573275374 /nfs/dbraw/zinc/27/53/74/573275374.db2.gz ZOWKPZQLABRPKI-MRVPVSSYSA-N 1 3 160.261 0.038 10 0 ACAEHO C[NH2+][C@@H](C)c1c[nH]c(CN)c1 258617414 573275401 /nfs/dbraw/zinc/27/54/01/573275401.db2.gz WMHKLCHSDMSAKG-LURJTMIESA-N 1 3 153.229 0.754 10 0 ACAEHO C[C@]1(CO)C[C@@H]([C@@H]2CCCCN2)C[NH2+]1 258275976 573275240 /nfs/dbraw/zinc/27/52/40/573275240.db2.gz SFLQITOBJIODJL-OUAUKWLOSA-N 1 3 198.310 0.489 10 0 ACAEHO CN(C)Cc1ccc(C[NH3+])nc1 238331404 573275639 /nfs/dbraw/zinc/27/56/39/573275639.db2.gz PFHJKJIDKNJTHU-UHFFFAOYSA-N 1 3 165.240 0.602 10 0 ACAEHO C[NH2+]C/C=C\CCN1CCN(C)CC1 257991276 573279851 /nfs/dbraw/zinc/27/98/51/573279851.db2.gz KSECMFGHAXHLCI-ARJAWSKDSA-N 1 3 197.326 0.400 10 0 ACAEHO CC1CCN(C[C@@](C)(O)C[NH3+])CC1 82915239 573278788 /nfs/dbraw/zinc/27/87/88/573278788.db2.gz KDTMKWCJIMHCHQ-JTQLQIEISA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@]1(CO)C[C@H]([C@H]2CCCCN2)C[NH2+]1 258275973 573278106 /nfs/dbraw/zinc/27/81/06/573278106.db2.gz SFLQITOBJIODJL-HBNTYKKESA-N 1 3 198.310 0.489 10 0 ACAEHO NCc1cnoc1[C@@H]1CCC[NH2+]1 258617484 573278205 /nfs/dbraw/zinc/27/82/05/573278205.db2.gz WNDVAZIYHSPHNJ-ZETCQYMHSA-N 1 3 167.212 0.558 10 0 ACAEHO C[NH2+]Cc1ccn2c1[C@@H](N)CC2 238330623 573278241 /nfs/dbraw/zinc/27/82/41/573278241.db2.gz MHELOANROFMAAM-QMMMGPOBSA-N 1 3 165.240 0.611 10 0 ACAEHO CN[C@@H]1CCC[C@@H]2[NH2+]CC[C@@H]21 238330724 573278460 /nfs/dbraw/zinc/27/84/60/573278460.db2.gz PDGQWTNCCBJJEO-HLTSFMKQSA-N 1 3 154.257 0.736 10 0 ACAEHO CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)N 308536918 573278491 /nfs/dbraw/zinc/27/84/91/573278491.db2.gz MKSDMXSMRUYXGB-GARJFASQSA-N 1 3 199.342 0.796 10 0 ACAEHO CN1CCC[C@](C[NH3+])(N2CCCC2)C1 74238744 573278553 /nfs/dbraw/zinc/27/85/53/573278553.db2.gz WYYZKRGFGJZPRX-LLVKDONJSA-N 1 3 197.326 0.505 10 0 ACAEHO CCN1CC([C@H](F)C[NH3+])C1 258617423 573278638 /nfs/dbraw/zinc/27/86/38/573278638.db2.gz WMLOUGGVJCNXCJ-SSDOTTSWSA-N 1 3 146.209 0.235 10 0 ACAEHO CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H](C)N 308536920 573279609 /nfs/dbraw/zinc/27/96/09/573279609.db2.gz MKSDMXSMRUYXGB-GMTAPVOTSA-N 1 3 199.342 0.796 10 0 ACAEHO C[NH2+][C@H](C)c1c[nH]c(CN)c1 258617416 573279658 /nfs/dbraw/zinc/27/96/58/573279658.db2.gz WMHKLCHSDMSAKG-ZCFIWIBFSA-N 1 3 153.229 0.754 10 0 ACAEHO CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N 308536925 573280203 /nfs/dbraw/zinc/28/02/03/573280203.db2.gz MKSDMXSMRUYXGB-OUAUKWLOSA-N 1 3 199.342 0.796 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@@H]1N 82922280 573280294 /nfs/dbraw/zinc/28/02/94/573280294.db2.gz YQKUEVKSVAOISZ-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CNC[C@@H]1CCC[C@@H]1[NH3+] 82922280 573280300 /nfs/dbraw/zinc/28/03/00/573280300.db2.gz YQKUEVKSVAOISZ-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CC(C)CC[N@H+](C)C[C@@H](N)CN 259066014 573280380 /nfs/dbraw/zinc/28/03/80/573280380.db2.gz QJXIQIQDCKRQBK-VIFPVBQESA-N 1 3 173.304 0.250 10 0 ACAEHO CC(C)CC[N@@H+](C)C[C@@H](N)CN 259066014 573280388 /nfs/dbraw/zinc/28/03/88/573280388.db2.gz QJXIQIQDCKRQBK-VIFPVBQESA-N 1 3 173.304 0.250 10 0 ACAEHO CC(C)CCN(C)C[C@@H](N)C[NH3+] 259066014 573280390 /nfs/dbraw/zinc/28/03/90/573280390.db2.gz QJXIQIQDCKRQBK-VIFPVBQESA-N 1 3 173.304 0.250 10 0 ACAEHO C[NH2+]C[C@H]1CCC[C@H]1N 82922283 573280399 /nfs/dbraw/zinc/28/03/99/573280399.db2.gz YQKUEVKSVAOISZ-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO CNC[C@H]1CCC[C@H]1[NH3+] 82922283 573280403 /nfs/dbraw/zinc/28/04/03/573280403.db2.gz YQKUEVKSVAOISZ-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO C[NH2+]C[C@@H]1CCCC[C@H]1N 82922278 573280487 /nfs/dbraw/zinc/28/04/87/573280487.db2.gz YSIIKFWNOHVZCU-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO CNC[C@@H]1CCCC[C@H]1[NH3+] 82922278 573280491 /nfs/dbraw/zinc/28/04/91/573280491.db2.gz YSIIKFWNOHVZCU-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H](C[NH3+])C(=O)[C@H]1CCN(C)C1 259065222 573280513 /nfs/dbraw/zinc/28/05/13/573280513.db2.gz DARWTXCXWOPHRQ-YUMQZZPRSA-N 1 3 170.256 0.102 10 0 ACAEHO F[C@@H]1C[NH2+]C2(CCNCC2)C1 257990389 573280542 /nfs/dbraw/zinc/28/05/42/573280542.db2.gz FJEPPUNDVPAFCT-ZETCQYMHSA-N 1 3 158.220 0.440 10 0 ACAEHO C[NH2+]C[C@@H]1CCCC[C@@H]1N 82922276 573281512 /nfs/dbraw/zinc/28/15/12/573281512.db2.gz YSIIKFWNOHVZCU-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO CNC[C@@H]1CCCC[C@@H]1[NH3+] 82922276 573281520 /nfs/dbraw/zinc/28/15/20/573281520.db2.gz YSIIKFWNOHVZCU-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@H](CN2CCC2)O1 308538822 573281367 /nfs/dbraw/zinc/28/13/67/573281367.db2.gz NBTJQQFLPIWFHP-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO CC[NH2+]C[C@H]1CCC[C@@H]1N 82922289 573281391 /nfs/dbraw/zinc/28/13/91/573281391.db2.gz ZMOQHAXEUVRPQR-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H](C[NH3+])C(=O)[C@H]1CCN(C)C1 259065219 573281414 /nfs/dbraw/zinc/28/14/14/573281414.db2.gz DARWTXCXWOPHRQ-SFYZADRCSA-N 1 3 170.256 0.102 10 0 ACAEHO CNCc1cnc(C2CC[NH2+]CC2)o1 257992446 573283513 /nfs/dbraw/zinc/28/35/13/573283513.db2.gz IDHQEHFKOPRUKO-UHFFFAOYSA-N 1 3 195.266 0.861 10 0 ACAEHO C1C[C@H]2CN(C3CCOCC3)C[C@H]2[NH2+]1 82923196 573282029 /nfs/dbraw/zinc/28/20/29/573282029.db2.gz WAMKGKXRPPURGF-GXSJLCMTSA-N 1 3 196.294 0.459 10 0 ACAEHO C[NH2+]C[C@H]1CCC[C@@H]1N 82922281 573282105 /nfs/dbraw/zinc/28/21/05/573282105.db2.gz YQKUEVKSVAOISZ-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO CNC[C@H]1CCC[C@@H]1[NH3+] 82922281 573282112 /nfs/dbraw/zinc/28/21/12/573282112.db2.gz YQKUEVKSVAOISZ-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO OCCCC[NH2+]C1CCNCC1 236495935 573282128 /nfs/dbraw/zinc/28/21/28/573282128.db2.gz JEIGFADSBTVOIV-UHFFFAOYSA-N 1 3 172.272 0.101 10 0 ACAEHO OCCCCNC1CC[NH2+]CC1 236495935 573282132 /nfs/dbraw/zinc/28/21/32/573282132.db2.gz JEIGFADSBTVOIV-UHFFFAOYSA-N 1 3 172.272 0.101 10 0 ACAEHO CC[NH2+]C[C@@H]1CCC[C@H]1N 82922290 573282181 /nfs/dbraw/zinc/28/21/81/573282181.db2.gz ZMOQHAXEUVRPQR-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H](N)C1([NH+](C)C)CCC1 259403154 573282329 /nfs/dbraw/zinc/28/23/29/573282329.db2.gz RZVHOMMTBXJVGO-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO COCCN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238331612 573282422 /nfs/dbraw/zinc/28/24/22/573282422.db2.gz BRABITSTNVWVQJ-OWUUHHOZSA-N 1 3 184.283 0.587 10 0 ACAEHO CN1CCc2ncn(CCC[NH3+])c2C1 74246018 573282644 /nfs/dbraw/zinc/28/26/44/573282644.db2.gz UUWNYROANZQLFK-UHFFFAOYSA-N 1 3 194.282 0.220 10 0 ACAEHO C[NH2+]C[C@H]1CCCC[C@@H]1N 82922277 573282838 /nfs/dbraw/zinc/28/28/38/573282838.db2.gz YSIIKFWNOHVZCU-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO CNC[C@H]1CCCC[C@@H]1[NH3+] 82922277 573282843 /nfs/dbraw/zinc/28/28/43/573282843.db2.gz YSIIKFWNOHVZCU-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO CN1CCc2c(CCC[NH3+])n[nH]c2C1 74245996 573283002 /nfs/dbraw/zinc/28/30/02/573283002.db2.gz CUBPCOMARGWUKR-UHFFFAOYSA-N 1 3 194.282 0.289 10 0 ACAEHO CN1CC[C@H](N)[C@@H](C[NH+]2CCCC2)C1 238332951 573283061 /nfs/dbraw/zinc/28/30/61/573283061.db2.gz SLZCAWDHJYHNRP-MNOVXSKESA-N 1 3 197.326 0.361 10 0 ACAEHO CC[NH2+]C[C@H]1CCC[C@H]1N 82922291 573283242 /nfs/dbraw/zinc/28/32/42/573283242.db2.gz ZMOQHAXEUVRPQR-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@@H](CN2CCC2)O1 308538820 573283293 /nfs/dbraw/zinc/28/32/93/573283293.db2.gz NBTJQQFLPIWFHP-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@H]1N 82922282 573284277 /nfs/dbraw/zinc/28/42/77/573284277.db2.gz YQKUEVKSVAOISZ-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CNC[C@@H]1CCC[C@H]1[NH3+] 82922282 573284282 /nfs/dbraw/zinc/28/42/82/573284282.db2.gz YQKUEVKSVAOISZ-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@H](CN2CCC2)O1 308538819 573284998 /nfs/dbraw/zinc/28/49/98/573284998.db2.gz NBTJQQFLPIWFHP-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO NC[C@H]([NH3+])CNCc1ccc(F)cc1 259068753 573287984 /nfs/dbraw/zinc/28/79/84/573287984.db2.gz QNXXZSJQQLFSKO-JTQLQIEISA-N 1 3 197.257 0.201 10 0 ACAEHO CCO[C@]1(CN)CC[N@H+](C)C1 258490397 573289493 /nfs/dbraw/zinc/28/94/93/573289493.db2.gz KBZYDALLSWJSNH-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO [NH3+]CCCc1coc([C@@H]2CCCN2)n1 257992280 573285616 /nfs/dbraw/zinc/28/56/16/573285616.db2.gz IBHMNYQBNBZFBE-VIFPVBQESA-N 1 3 195.266 0.990 10 0 ACAEHO CC1(C)C[NH2+]C[C@H](CN)C1 258620070 573285754 /nfs/dbraw/zinc/28/57/54/573285754.db2.gz WOYSDBYAZCEVGS-ZETCQYMHSA-N 1 3 142.246 0.581 10 0 ACAEHO CC(C)([NH3+])CCNCCc1ncon1 308533550 573285990 /nfs/dbraw/zinc/28/59/90/573285990.db2.gz LPWRITHJRFVKLN-UHFFFAOYSA-N 1 3 198.270 0.329 10 0 ACAEHO CCO[C@]1(CN)CC[N@@H+](C)C1 258490397 573289500 /nfs/dbraw/zinc/28/95/00/573289500.db2.gz KBZYDALLSWJSNH-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[C@H](CN[C@@H]1CCN(C)C1)C[NH2+]C 259067477 573289502 /nfs/dbraw/zinc/28/95/02/573289502.db2.gz UBOKVQHOSZSTBS-WDEREUQCSA-N 1 3 199.342 0.526 10 0 ACAEHO CNC(=[NH2+])N(C)C[C@@H]1CCCN1C 86189304 573286702 /nfs/dbraw/zinc/28/67/02/573286702.db2.gz NIYGVBNPJPKVIM-QMMMGPOBSA-N 1 3 184.287 0.167 10 0 ACAEHO CC(C)C[C@@H]([NH3+])C[C@@H]1CNCCO1 259402977 573286865 /nfs/dbraw/zinc/28/68/65/573286865.db2.gz LWEQBCYDKLPRHI-NXEZZACHSA-N 1 3 186.299 0.738 10 0 ACAEHO CC[C@@H](CN[C@@H]1CCN(C)C1)C[NH2+]C 259067471 573286964 /nfs/dbraw/zinc/28/69/64/573286964.db2.gz UBOKVQHOSZSTBS-GHMZBOCLSA-N 1 3 199.342 0.526 10 0 ACAEHO C[C@@]1([C@@H]2CCC[NH2+]2)CCCN1 258490408 573287188 /nfs/dbraw/zinc/28/71/88/573287188.db2.gz KCWZAYNOKOULDT-IUCAKERBSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@@]1([C@@H]2CCCN2)CCC[NH2+]1 258490408 573287195 /nfs/dbraw/zinc/28/71/95/573287195.db2.gz KCWZAYNOKOULDT-IUCAKERBSA-N 1 3 154.257 0.881 10 0 ACAEHO C[C@H](N)C1([NH+](C)C)CCC1 259403155 573287372 /nfs/dbraw/zinc/28/73/72/573287372.db2.gz RZVHOMMTBXJVGO-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](C[NH3+])c1coc(CCN(C)C)n1 258279226 573287402 /nfs/dbraw/zinc/28/74/02/573287402.db2.gz YIEAHZGQGQZXKN-QMMMGPOBSA-N 1 3 197.282 0.841 10 0 ACAEHO CNCC(C)(C)[NH2+]C[C@@H]1CCCO1 259069822 573287545 /nfs/dbraw/zinc/28/75/45/573287545.db2.gz XDSFBFVJQKSXMN-VIFPVBQESA-N 1 3 186.299 0.753 10 0 ACAEHO CC[C@@H](CN[C@H]1CCN(C)C1)C[NH2+]C 259067472 573287631 /nfs/dbraw/zinc/28/76/31/573287631.db2.gz UBOKVQHOSZSTBS-MNOVXSKESA-N 1 3 199.342 0.526 10 0 ACAEHO CN1CCC[C@@H]1[C@H]1C[NH2+][C@](C)(CO)C1 258280054 573287632 /nfs/dbraw/zinc/28/76/32/573287632.db2.gz SNQPUAMFENGAPT-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO NC[C@@H]([NH3+])CNCc1ccc(F)cc1 259068756 573287789 /nfs/dbraw/zinc/28/77/89/573287789.db2.gz QNXXZSJQQLFSKO-SNVBAGLBSA-N 1 3 197.257 0.201 10 0 ACAEHO CN1CCC[C@@H]1[C@H]1C[NH2+][C@@](C)(CO)C1 258280049 573288738 /nfs/dbraw/zinc/28/87/38/573288738.db2.gz SNQPUAMFENGAPT-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO Cc1ccc(CNC[C@H]([NH3+])CN)cc1 259069788 573288872 /nfs/dbraw/zinc/28/88/72/573288872.db2.gz XDLGQYYZJVDISN-LLVKDONJSA-N 1 3 193.294 0.371 10 0 ACAEHO CC[C@H](CN[C@H]1CCN(C)C1)C[NH2+]C 259067475 573289046 /nfs/dbraw/zinc/28/90/46/573289046.db2.gz UBOKVQHOSZSTBS-QWRGUYRKSA-N 1 3 199.342 0.526 10 0 ACAEHO CCO[C@@]1(CN)CC[N@H+](C)C1 258490396 573289167 /nfs/dbraw/zinc/28/91/67/573289167.db2.gz KBZYDALLSWJSNH-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CCO[C@@]1(CN)CC[N@@H+](C)C1 258490396 573289175 /nfs/dbraw/zinc/28/91/75/573289175.db2.gz KBZYDALLSWJSNH-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CC(C)C[C@H](N)[C@@H]1CN(C)CC[NH2+]1 259404912 573291383 /nfs/dbraw/zinc/29/13/83/573291383.db2.gz LYESICXOPKXUMI-UWVGGRQHSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@@H]([NH2+]CC1(O)CCCC1)C1CNC1 686252863 573293426 /nfs/dbraw/zinc/29/34/26/573293426.db2.gz UALGUWXIGVZSCT-SECBINFHSA-N 1 3 198.310 0.489 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@H](N)COC)C1 257995761 573292715 /nfs/dbraw/zinc/29/27/15/573292715.db2.gz DNANFYUSMBGDME-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@H](N)COC)C1 257995761 573292722 /nfs/dbraw/zinc/29/27/22/573292722.db2.gz DNANFYUSMBGDME-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO NC1([C@@H]2CC[NH2+]C23CC3)CC1 258622447 573292600 /nfs/dbraw/zinc/29/26/00/573292600.db2.gz WUQVLSWJSJRSBQ-ZETCQYMHSA-N 1 3 152.241 0.620 10 0 ACAEHO CC(C)C[C@H](N)[C@H]1CN(C)CC[NH2+]1 259404914 573292656 /nfs/dbraw/zinc/29/26/56/573292656.db2.gz LYESICXOPKXUMI-VHSXEESVSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@@H](C[NH3+])c1cnc(CCN(C)C)o1 257996527 573293836 /nfs/dbraw/zinc/29/38/36/573293836.db2.gz IHFUCFDYOIUUCQ-QMMMGPOBSA-N 1 3 197.282 0.841 10 0 ACAEHO CCN1CC[C@H]([C@H]([NH3+])COC)C1 257995761 573292726 /nfs/dbraw/zinc/29/27/26/573292726.db2.gz DNANFYUSMBGDME-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1C[C@@H](F)CN 258622608 573292977 /nfs/dbraw/zinc/29/29/77/573292977.db2.gz WXDZEIICEQOBOY-HTQZYQBOSA-N 1 3 160.236 0.768 10 0 ACAEHO C[N@H+]1CCC[C@@H]1C[C@@H](F)CN 258622608 573292982 /nfs/dbraw/zinc/29/29/82/573292982.db2.gz WXDZEIICEQOBOY-HTQZYQBOSA-N 1 3 160.236 0.768 10 0 ACAEHO CNC[C@@H](F)C1CC[NH2+]CC1 258622404 573293044 /nfs/dbraw/zinc/29/30/44/573293044.db2.gz WTEVINJNFAHZGN-MRVPVSSYSA-N 1 3 160.236 0.544 10 0 ACAEHO C[C@H](N)c1coc(C[C@@H]2CC[NH2+]C2)n1 257996670 573293264 /nfs/dbraw/zinc/29/32/64/573293264.db2.gz IJIBHIHAPUMOLD-YUMQZZPRSA-N 1 3 195.266 0.846 10 0 ACAEHO CN(CC1CCCC1)C[C@@H](N)C[NH3+] 259072182 573293415 /nfs/dbraw/zinc/29/34/15/573293415.db2.gz QTYVEHZQGBVCHD-JTQLQIEISA-N 1 3 185.315 0.394 10 0 ACAEHO C[C@@H](NCC1(O)CCCC1)C1C[NH2+]C1 686252863 573293418 /nfs/dbraw/zinc/29/34/18/573293418.db2.gz UALGUWXIGVZSCT-SECBINFHSA-N 1 3 198.310 0.489 10 0 ACAEHO CC(C)C[C@@H](N)[C@@H]1CN(C)CC[NH2+]1 259404916 573293527 /nfs/dbraw/zinc/29/35/27/573293527.db2.gz LYESICXOPKXUMI-ZJUUUORDSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@@H](N)c1coc(C[C@@H]2CC[NH2+]C2)n1 257996668 573293535 /nfs/dbraw/zinc/29/35/35/573293535.db2.gz IJIBHIHAPUMOLD-SFYZADRCSA-N 1 3 195.266 0.846 10 0 ACAEHO [NH3+]CC[C@@H](O)c1cnc2cc[nH]cc1-2 74272728 573295112 /nfs/dbraw/zinc/29/51/12/573295112.db2.gz OARZUXMFSYBQIQ-SNVBAGLBSA-N 1 3 191.234 0.945 10 0 ACAEHO [NH3+]CC[C@@H](O)c1c[nH]c2ccncc12 74272728 573295118 /nfs/dbraw/zinc/29/51/18/573295118.db2.gz OARZUXMFSYBQIQ-SNVBAGLBSA-N 1 3 191.234 0.945 10 0 ACAEHO [NH3+]CCc1cnc2[nH]c3c(n12)CCC3 74274017 573295217 /nfs/dbraw/zinc/29/52/17/573295217.db2.gz QJXQVUVMEDBLNH-UHFFFAOYSA-N 1 3 190.250 0.652 10 0 ACAEHO CN1CCC[C@@H](C(=O)C2(C[NH3+])CC2)C1 259071513 573295234 /nfs/dbraw/zinc/29/52/34/573295234.db2.gz DRPGNEKHOABKOU-SECBINFHSA-N 1 3 196.294 0.636 10 0 ACAEHO [NH3+]CC[C@H](O)c1cnc2cc[nH]cc1-2 74272729 573295343 /nfs/dbraw/zinc/29/53/43/573295343.db2.gz OARZUXMFSYBQIQ-JTQLQIEISA-N 1 3 191.234 0.945 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@H]2CC[NH2+]C2)C1 259071516 573295373 /nfs/dbraw/zinc/29/53/73/573295373.db2.gz DRQLJRVWDGVTPH-DTWKUNHWSA-N 1 3 182.267 0.117 10 0 ACAEHO [NH3+]CC[C@H](O)c1c[nH]c2ccncc12 74272729 573295349 /nfs/dbraw/zinc/29/53/49/573295349.db2.gz OARZUXMFSYBQIQ-JTQLQIEISA-N 1 3 191.234 0.945 10 0 ACAEHO C[N@@H+]1CCC=C(CN)C1 238336044 573296275 /nfs/dbraw/zinc/29/62/75/573296275.db2.gz IIMCXJADVNCNRL-UHFFFAOYSA-N 1 3 126.203 0.207 10 0 ACAEHO C[N@H+]1CCC=C(CN)C1 238336044 573296280 /nfs/dbraw/zinc/29/62/80/573296280.db2.gz IIMCXJADVNCNRL-UHFFFAOYSA-N 1 3 126.203 0.207 10 0 ACAEHO CN1CCC=C(C[NH3+])C1 238336044 573296270 /nfs/dbraw/zinc/29/62/70/573296270.db2.gz IIMCXJADVNCNRL-UHFFFAOYSA-N 1 3 126.203 0.207 10 0 ACAEHO CNC[C@H](F)C1CC[NH2+]CC1 258622405 573296350 /nfs/dbraw/zinc/29/63/50/573296350.db2.gz WTEVINJNFAHZGN-QMMMGPOBSA-N 1 3 160.236 0.544 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@@H](N)COC)C1 257995756 573296359 /nfs/dbraw/zinc/29/63/59/573296359.db2.gz DNANFYUSMBGDME-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@@H](N)COC)C1 257995756 573296364 /nfs/dbraw/zinc/29/63/64/573296364.db2.gz DNANFYUSMBGDME-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN1CC[C@@H]([C@@H]([NH3+])COC)C1 257995756 573296369 /nfs/dbraw/zinc/29/63/69/573296369.db2.gz DNANFYUSMBGDME-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@H](C[NH3+])c1cnc(CCN(C)C)o1 257996523 573296747 /nfs/dbraw/zinc/29/67/47/573296747.db2.gz IHFUCFDYOIUUCQ-MRVPVSSYSA-N 1 3 197.282 0.841 10 0 ACAEHO CN1CC[C@H]2CC[C@@H](CN)[N@@H+]2CC1 238336287 573297184 /nfs/dbraw/zinc/29/71/84/573297184.db2.gz CCXAWOYMQXLGQX-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H]2CC[C@@H](CN)[N@H+]2CC1 238336287 573297188 /nfs/dbraw/zinc/29/71/88/573297188.db2.gz CCXAWOYMQXLGQX-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H]2CC[C@@H](CCN)[N@@H+]2CC1 238336247 573297280 /nfs/dbraw/zinc/29/72/80/573297280.db2.gz IUDZFJWUJRCPPS-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CC[C@H]2CC[C@@H](CCN)[N@H+]2CC1 238336247 573297286 /nfs/dbraw/zinc/29/72/86/573297286.db2.gz IUDZFJWUJRCPPS-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[NH2+][C@H]1C[C@@H]2CC[C@H](C1)N2C 116558316 573297466 /nfs/dbraw/zinc/29/74/66/573297466.db2.gz WOPJGCHLBFCBLZ-PSVAKVPMSA-N 1 3 154.257 0.831 10 0 ACAEHO C[N@@H+]1CCNCC2(CCC2)C1 259406911 573299843 /nfs/dbraw/zinc/29/98/43/573299843.db2.gz XQMRHROBNVPLDI-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO C[N@H+]1CCNCC2(CCC2)C1 259406911 573299845 /nfs/dbraw/zinc/29/98/45/573299845.db2.gz XQMRHROBNVPLDI-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO CC(C)([NH3+])CCN1CCC[C@@H](O)C1 74279992 573299936 /nfs/dbraw/zinc/29/99/36/573299936.db2.gz BYNFSLFPZSFNDV-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO NC[C@@H](CCO)C[NH2+]C1CCCC1 257993575 573300112 /nfs/dbraw/zinc/30/01/12/573300112.db2.gz DJGNSVUINALQKQ-SECBINFHSA-N 1 3 186.299 0.476 10 0 ACAEHO CC(C)([NH3+])CCN1CCC[C@H](O)C1 74279989 573300534 /nfs/dbraw/zinc/30/05/34/573300534.db2.gz BYNFSLFPZSFNDV-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CNC[C@H](C[NH3+])c1cccnc1 257993529 573301581 /nfs/dbraw/zinc/30/15/81/573301581.db2.gz DIOSEOXGOCMKBX-VIFPVBQESA-N 1 3 165.240 0.343 10 0 ACAEHO NC[C@H](CCO)C[NH2+]C1CCCC1 257993578 573301721 /nfs/dbraw/zinc/30/17/21/573301721.db2.gz DJGNSVUINALQKQ-VIFPVBQESA-N 1 3 186.299 0.476 10 0 ACAEHO C[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1CN 132450545 573303668 /nfs/dbraw/zinc/30/36/68/573303668.db2.gz BPYBNAVUYGWSBQ-BBBLOLIVSA-N 1 3 186.299 0.474 10 0 ACAEHO CNC[C@@H](C[NH3+])c1cccnc1 257993528 573303872 /nfs/dbraw/zinc/30/38/72/573303872.db2.gz DIOSEOXGOCMKBX-SECBINFHSA-N 1 3 165.240 0.343 10 0 ACAEHO CN1CCC(O)(C[NH+]2CCC2)CC1 221345046 573303899 /nfs/dbraw/zinc/30/38/99/573303899.db2.gz ZWWILVJFSQWBMW-UHFFFAOYSA-N 1 3 184.283 0.149 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@@H]2CNCCC2=O)C1 74300357 573304698 /nfs/dbraw/zinc/30/46/98/573304698.db2.gz UMQZJCUMAFTFAD-IUCAKERBSA-N 1 3 182.267 0.117 10 0 ACAEHO C[N@H+]1CC[C@H]([C@@H]2CNCCC2=O)C1 74300357 573304704 /nfs/dbraw/zinc/30/47/04/573304704.db2.gz UMQZJCUMAFTFAD-IUCAKERBSA-N 1 3 182.267 0.117 10 0 ACAEHO CC[C@@H]1COC[C@H]1N[C@H](C)C1C[NH2+]C1 686252818 573304762 /nfs/dbraw/zinc/30/47/62/573304762.db2.gz SFDOAWJQKIEYJP-FXPVBKGRSA-N 1 3 198.310 0.609 10 0 ACAEHO CC[C@@H]1COC[C@H]1[NH2+][C@H](C)C1CNC1 686252818 573304768 /nfs/dbraw/zinc/30/47/68/573304768.db2.gz SFDOAWJQKIEYJP-FXPVBKGRSA-N 1 3 198.310 0.609 10 0 ACAEHO CN(C)CCc1nc(CC[NH3+])c[nH]1 74300202 573304857 /nfs/dbraw/zinc/30/48/57/573304857.db2.gz MILLNLGEXUGFGM-UHFFFAOYSA-N 1 3 182.271 0.015 10 0 ACAEHO CC(C)(C)[C@H]([NH3+])C1(CN)COC1 259606231 573304923 /nfs/dbraw/zinc/30/49/23/573304923.db2.gz XFZNFDBKZOTTLM-ZETCQYMHSA-N 1 3 172.272 0.335 10 0 ACAEHO CC(C)(C)[C@H](N)C1(C[NH3+])COC1 259606231 573304929 /nfs/dbraw/zinc/30/49/29/573304929.db2.gz XFZNFDBKZOTTLM-ZETCQYMHSA-N 1 3 172.272 0.335 10 0 ACAEHO CN1CCC([C@H](O)C[NH2+]C2CC2)CC1 258002334 573305130 /nfs/dbraw/zinc/30/51/30/573305130.db2.gz DXGHBPDXJFZZFU-LLVKDONJSA-N 1 3 198.310 0.441 10 0 ACAEHO CC(C)(C)[C@@H]([NH3+])C1(CN)COC1 259606229 573305155 /nfs/dbraw/zinc/30/51/55/573305155.db2.gz XFZNFDBKZOTTLM-SSDOTTSWSA-N 1 3 172.272 0.335 10 0 ACAEHO CC(C)(C)[C@@H](N)C1(C[NH3+])COC1 259606229 573305161 /nfs/dbraw/zinc/30/51/61/573305161.db2.gz XFZNFDBKZOTTLM-SSDOTTSWSA-N 1 3 172.272 0.335 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@H]2CNCCC2=O)C1 74300359 573305376 /nfs/dbraw/zinc/30/53/76/573305376.db2.gz UMQZJCUMAFTFAD-BDAKNGLRSA-N 1 3 182.267 0.117 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@H]2CNCCC2=O)C1 74300359 573305381 /nfs/dbraw/zinc/30/53/81/573305381.db2.gz UMQZJCUMAFTFAD-BDAKNGLRSA-N 1 3 182.267 0.117 10 0 ACAEHO [NH3+]C[C@H](CCO)CN1CCCCC1 258002329 573306377 /nfs/dbraw/zinc/30/63/77/573306377.db2.gz DXFVSABHCWGAOI-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO C[N@@H+]1CC[C@@](O)(CCN2CCC2)C1 221345836 573306842 /nfs/dbraw/zinc/30/68/42/573306842.db2.gz NUROJTUUDQWKLH-SNVBAGLBSA-N 1 3 184.283 0.149 10 0 ACAEHO C[N@H+]1CC[C@@](O)(CCN2CCC2)C1 221345836 573306847 /nfs/dbraw/zinc/30/68/47/573306847.db2.gz NUROJTUUDQWKLH-SNVBAGLBSA-N 1 3 184.283 0.149 10 0 ACAEHO CN1CCC([C@@H](O)C[NH2+]C2CC2)CC1 258002336 573306950 /nfs/dbraw/zinc/30/69/50/573306950.db2.gz DXGHBPDXJFZZFU-NSHDSACASA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCC[NH3+] 82944178 573307081 /nfs/dbraw/zinc/30/70/81/573307081.db2.gz YSMMMGUVFAFNFC-HLTSFMKQSA-N 1 3 184.283 0.348 10 0 ACAEHO Cc1c(C[NH3+])c(O)cn1C 106563806 573307147 /nfs/dbraw/zinc/30/71/47/573307147.db2.gz POCRJUHKBZNOOO-UHFFFAOYSA-N 1 3 140.186 0.498 10 0 ACAEHO CC[C@@H]1COC[C@@H]1N[C@@H](C)C1C[NH2+]C1 686252821 573307156 /nfs/dbraw/zinc/30/71/56/573307156.db2.gz SFDOAWJQKIEYJP-NGZCFLSTSA-N 1 3 198.310 0.609 10 0 ACAEHO CC[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C1CNC1 686252821 573307159 /nfs/dbraw/zinc/30/71/59/573307159.db2.gz SFDOAWJQKIEYJP-NGZCFLSTSA-N 1 3 198.310 0.609 10 0 ACAEHO COCC[N@@H+]1C[C@@H](C)NCC[C@H]1C 82942643 573307302 /nfs/dbraw/zinc/30/73/02/573307302.db2.gz ZZAIHIJRQCSCJD-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO COCC[N@H+]1C[C@@H](C)NCC[C@H]1C 82942643 573307307 /nfs/dbraw/zinc/30/73/07/573307307.db2.gz ZZAIHIJRQCSCJD-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[N@@H+]1CCCN[C@H](C2CC2)C1 82942045 573307475 /nfs/dbraw/zinc/30/74/75/573307475.db2.gz FGBFSGPRKUIPHE-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+]1CCCN[C@H](C2CC2)C1 82942045 573307481 /nfs/dbraw/zinc/30/74/81/573307481.db2.gz FGBFSGPRKUIPHE-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CCC(C(=O)C2C[NH2+]C2)CC1 259075807 573307593 /nfs/dbraw/zinc/30/75/93/573307593.db2.gz FAFZABPATAVFDD-UHFFFAOYSA-N 1 3 182.267 0.117 10 0 ACAEHO C[C@H]1CC[C@@H](OCCN(C)C)C[NH2+]1 50211496 573307632 /nfs/dbraw/zinc/30/76/32/573307632.db2.gz ARFILAFLRPTSCN-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H]1CC[C@@H](OCCN(C)C)C[NH2+]1 50211495 573307945 /nfs/dbraw/zinc/30/79/45/573307945.db2.gz ARFILAFLRPTSCN-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H]1CC[C@H](OCCN(C)C)C[NH2+]1 50211493 573308550 /nfs/dbraw/zinc/30/85/50/573308550.db2.gz ARFILAFLRPTSCN-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@H](N)c1[nH]nc2c1C[N@H+](C)CC2 74303134 573308561 /nfs/dbraw/zinc/30/85/61/573308561.db2.gz VEFOVWFYOYKGOJ-LURJTMIESA-N 1 3 180.255 0.417 10 0 ACAEHO C[C@H](N)c1[nH]nc2c1C[N@@H+](C)CC2 74303134 573308564 /nfs/dbraw/zinc/30/85/64/573308564.db2.gz VEFOVWFYOYKGOJ-LURJTMIESA-N 1 3 180.255 0.417 10 0 ACAEHO C[C@H]1CCN[C@H](C)C[N@@H+]1[C@@H]1CCOC1 82942572 573308573 /nfs/dbraw/zinc/30/85/73/573308573.db2.gz RYGMRUMXGXSTFO-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1CCN[C@H](C)C[N@H+]1[C@@H]1CCOC1 82942572 573308578 /nfs/dbraw/zinc/30/85/78/573308578.db2.gz RYGMRUMXGXSTFO-OUAUKWLOSA-N 1 3 198.310 0.848 10 0 ACAEHO CCCCC[N@H+](C)C[C@H](N)CN 259080774 573308654 /nfs/dbraw/zinc/30/86/54/573308654.db2.gz REIAINWQTRGDSN-SECBINFHSA-N 1 3 173.304 0.394 10 0 ACAEHO CCCCC[N@@H+](C)C[C@H](N)CN 259080774 573308660 /nfs/dbraw/zinc/30/86/60/573308660.db2.gz REIAINWQTRGDSN-SECBINFHSA-N 1 3 173.304 0.394 10 0 ACAEHO CCCCCN(C)C[C@H](N)C[NH3+] 259080774 573308663 /nfs/dbraw/zinc/30/86/63/573308663.db2.gz REIAINWQTRGDSN-SECBINFHSA-N 1 3 173.304 0.394 10 0 ACAEHO C[C@H]1CC[C@H](OCCN(C)C)C[NH2+]1 50211494 573308716 /nfs/dbraw/zinc/30/87/16/573308716.db2.gz ARFILAFLRPTSCN-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CC1(C)C[N@@H+]([C@H]2CCOC2)CCCN1 82941507 573308796 /nfs/dbraw/zinc/30/87/96/573308796.db2.gz UWVLWWALZQICIR-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO CC1(C)C[N@H+]([C@H]2CCOC2)CCCN1 82941507 573308799 /nfs/dbraw/zinc/30/87/99/573308799.db2.gz UWVLWWALZQICIR-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO COCCC[NH2+]CC1(CN)CCC1 258624346 573308834 /nfs/dbraw/zinc/30/88/34/573308834.db2.gz JWKIAQCGAFBAQO-UHFFFAOYSA-N 1 3 186.299 0.742 10 0 ACAEHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1CN 132450170 573308883 /nfs/dbraw/zinc/30/88/83/573308883.db2.gz BPYBNAVUYGWSBQ-OPRDCNLKSA-N 1 3 186.299 0.474 10 0 ACAEHO COCC[N@@H+]1C[C@@H](C)NCC[C@@H]1C 82942645 573309037 /nfs/dbraw/zinc/30/90/37/573309037.db2.gz ZZAIHIJRQCSCJD-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO COCC[N@H+]1C[C@@H](C)NCC[C@@H]1C 82942645 573309044 /nfs/dbraw/zinc/30/90/44/573309044.db2.gz ZZAIHIJRQCSCJD-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CC[C@H](CO)[C@H]([NH3+])[C@@H]1CCN(C)C1 259411880 573309305 /nfs/dbraw/zinc/30/93/05/573309305.db2.gz MHQAFXFALHRQBJ-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO [NH3+]C[C@H](CNC1CC1)c1cccnc1 258000041 573309316 /nfs/dbraw/zinc/30/93/16/573309316.db2.gz DRJVPDALUBEYFH-SNVBAGLBSA-N 1 3 191.278 0.876 10 0 ACAEHO CC[C@H](CO)[C@H]([NH3+])[C@H]1CCN(C)C1 259411886 573309408 /nfs/dbraw/zinc/30/94/08/573309408.db2.gz MHQAFXFALHRQBJ-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO [NH3+]C[C@@H](CCO)CN1CCCCC1 258002331 573309456 /nfs/dbraw/zinc/30/94/56/573309456.db2.gz DXFVSABHCWGAOI-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO C[C@H]1CCNCC[N@@H+]1[C@@H]1CCOC1 82942882 573309492 /nfs/dbraw/zinc/30/94/92/573309492.db2.gz FDHMVKREUIBIQK-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]1CCNCC[N@H+]1[C@@H]1CCOC1 82942882 573309496 /nfs/dbraw/zinc/30/94/96/573309496.db2.gz FDHMVKREUIBIQK-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO CN1CC[C@H](C(=O)CCC[NH3+])C1 259081906 573309694 /nfs/dbraw/zinc/30/96/94/573309694.db2.gz FMEXYQCAYBYBRV-QMMMGPOBSA-N 1 3 170.256 0.246 10 0 ACAEHO CN1[C@H]2CC[C@@H]1[C@@H]1C[NH2+]C[C@@H]12 238345774 573310773 /nfs/dbraw/zinc/31/07/73/573310773.db2.gz BRULRIFZNCHLMK-SPJNRGJMSA-N 1 3 152.241 0.298 10 0 ACAEHO CC(C)C[NH2+]CC[C@@H]1CN(C)CCN1 258626465 573310421 /nfs/dbraw/zinc/31/04/21/573310421.db2.gz KENNUTCXEIQYGE-LLVKDONJSA-N 1 3 199.342 0.526 10 0 ACAEHO CC(C)C(CN)C[NH3+] 77985617 573310522 /nfs/dbraw/zinc/31/05/22/573310522.db2.gz LBDGNOZZXKARJB-UHFFFAOYSA-N 1 3 116.208 0.176 10 0 ACAEHO CCN1CC[C@@H](C[NH2+]C)[C@@H]1C 259415651 573310587 /nfs/dbraw/zinc/31/05/87/573310587.db2.gz YWROUFXVQKTZGI-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CNC)[C@@H]1C 259415651 573310593 /nfs/dbraw/zinc/31/05/93/573310593.db2.gz YWROUFXVQKTZGI-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@H+]1CC[C@@H](CNC)[C@@H]1C 259415651 573310598 /nfs/dbraw/zinc/31/05/98/573310598.db2.gz YWROUFXVQKTZGI-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1CC[C@H](C[NH2+]C)[C@H]1C 259415654 573310614 /nfs/dbraw/zinc/31/06/14/573310614.db2.gz YWROUFXVQKTZGI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC1(C)[C@H]2OCC[C@H]2[C@H]1NCC[NH3+] 82944182 573310617 /nfs/dbraw/zinc/31/06/17/573310617.db2.gz YSMMMGUVFAFNFC-YIZRAAEISA-N 1 3 184.283 0.348 10 0 ACAEHO CC[N@@H+]1CC[C@H](CNC)[C@H]1C 259415654 573310621 /nfs/dbraw/zinc/31/06/21/573310621.db2.gz YWROUFXVQKTZGI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@H+]1CC[C@H](CNC)[C@H]1C 259415654 573310625 /nfs/dbraw/zinc/31/06/25/573310625.db2.gz YWROUFXVQKTZGI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO COCC[N@@H+]1C[C@H](C)NCC[C@H]1C 82942647 573310677 /nfs/dbraw/zinc/31/06/77/573310677.db2.gz ZZAIHIJRQCSCJD-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO COCC[N@H+]1C[C@H](C)NCC[C@H]1C 82942647 573310683 /nfs/dbraw/zinc/31/06/83/573310683.db2.gz ZZAIHIJRQCSCJD-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CCN1CC[C@@H](C[NH2+]C)[C@H]1C 259415646 573310831 /nfs/dbraw/zinc/31/08/31/573310831.db2.gz YWROUFXVQKTZGI-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CNC)[C@H]1C 259415646 573310837 /nfs/dbraw/zinc/31/08/37/573310837.db2.gz YWROUFXVQKTZGI-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@H+]1CC[C@@H](CNC)[C@H]1C 259415646 573310842 /nfs/dbraw/zinc/31/08/42/573310842.db2.gz YWROUFXVQKTZGI-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1CCC[C@@H]([NH2+]CC(C)(C)N)C1 308547263 573310970 /nfs/dbraw/zinc/31/09/70/573310970.db2.gz QCVAUBBHTKHFFA-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO CCN1CCC[C@@H](NCC(C)(C)[NH3+])C1 308547263 573310973 /nfs/dbraw/zinc/31/09/73/573310973.db2.gz QCVAUBBHTKHFFA-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO CO[C@H](C)CNC1CC([NH3+])C1 224006202 573310982 /nfs/dbraw/zinc/31/09/82/573310982.db2.gz FYHSODNZLFTRGL-JECWYVHBSA-N 1 3 158.245 0.101 10 0 ACAEHO Cc1[nH]c2ncc(CC[NH3+])n2c1C 74305886 573311173 /nfs/dbraw/zinc/31/11/73/573311173.db2.gz ANNCPUXVCMDQCQ-UHFFFAOYSA-N 1 3 178.239 0.780 10 0 ACAEHO CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCC[NH3+] 82945434 573311681 /nfs/dbraw/zinc/31/16/81/573311681.db2.gz JFOVUDHMSATNLD-AEJSXWLSSA-N 1 3 198.310 0.738 10 0 ACAEHO CO[C@@H](C)CNC1CC([NH3+])C1 224006140 573311487 /nfs/dbraw/zinc/31/14/87/573311487.db2.gz FYHSODNZLFTRGL-KKMMWDRVSA-N 1 3 158.245 0.101 10 0 ACAEHO CCN1CCC[C@H]([NH2+]CC(C)(C)N)C1 308547261 573312600 /nfs/dbraw/zinc/31/26/00/573312600.db2.gz QCVAUBBHTKHFFA-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO CCN1CCC[C@H](NCC(C)(C)[NH3+])C1 308547261 573312608 /nfs/dbraw/zinc/31/26/08/573312608.db2.gz QCVAUBBHTKHFFA-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@@H]1CC[C@@H]1[NH2+]CC[C@@H]1CNCCO1 308546756 573312632 /nfs/dbraw/zinc/31/26/32/573312632.db2.gz PVGJTMODNNGWJJ-MXWKQRLJSA-N 1 3 198.310 0.753 10 0 ACAEHO C[NH2+][C@H](c1ccc[nH]1)C1(CN)COC1 259413035 573315343 /nfs/dbraw/zinc/31/53/43/573315343.db2.gz XSXRCOOQZJGSLV-SECBINFHSA-N 1 3 195.266 0.251 10 0 ACAEHO CC[NH+](CC)C[C@H](O)[C@H]1CCN1 259084251 573316172 /nfs/dbraw/zinc/31/61/72/573316172.db2.gz CUCIDOWPBCGAHP-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC(C)(C)[C@@H]([NH3+])C(C)C 259413647 573316177 /nfs/dbraw/zinc/31/61/77/573316177.db2.gz OPVDZRBVJMTZKN-ZETCQYMHSA-N 1 3 144.262 0.968 10 0 ACAEHO C[NH+](C)C[C@@H](O)CN[C@H]1C=CCCC1 717351305 573316402 /nfs/dbraw/zinc/31/64/02/573316402.db2.gz DAALADVYJRINNI-QWRGUYRKSA-N 1 3 198.310 0.607 10 0 ACAEHO CC[NH+](CC)C[C@H](O)[C@@H]1CCN1 259084254 573316494 /nfs/dbraw/zinc/31/64/94/573316494.db2.gz CUCIDOWPBCGAHP-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO C[NH+](C)C[C@H](O)CN[C@H]1C=CCCC1 717351306 573316542 /nfs/dbraw/zinc/31/65/42/573316542.db2.gz DAALADVYJRINNI-WDEREUQCSA-N 1 3 198.310 0.607 10 0 ACAEHO C[N@H+]1C[C@H](CC2CC2)[C@@H](N)C1 238350496 573316591 /nfs/dbraw/zinc/31/65/91/573316591.db2.gz SXJMZKKRVFYXSI-IUCAKERBSA-N 1 3 154.257 0.675 10 0 ACAEHO C[N@@H+]1C[C@H](CC2CC2)[C@@H](N)C1 238350496 573316594 /nfs/dbraw/zinc/31/65/94/573316594.db2.gz SXJMZKKRVFYXSI-IUCAKERBSA-N 1 3 154.257 0.675 10 0 ACAEHO CN[C@H](CO)[C@H]1CCCC[N@H+](C)C1 215146340 573316643 /nfs/dbraw/zinc/31/66/43/573316643.db2.gz SXHGQZKFJPJOCD-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@H](CO)[C@H]1CCCC[N@@H+](C)C1 215146340 573316649 /nfs/dbraw/zinc/31/66/49/573316649.db2.gz SXHGQZKFJPJOCD-VHSXEESVSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H](CCO)[NH2+]C[C@H]1CCCNC1 132533708 573316754 /nfs/dbraw/zinc/31/67/54/573316754.db2.gz DIHDCAGWCILCCO-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H](CCO)NC[C@H]1CCC[NH2+]C1 132533708 573316761 /nfs/dbraw/zinc/31/67/61/573316761.db2.gz DIHDCAGWCILCCO-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[NH+](C)C[C@@H](O)CN[C@@H]1C=CCCC1 717351304 573316790 /nfs/dbraw/zinc/31/67/90/573316790.db2.gz DAALADVYJRINNI-MNOVXSKESA-N 1 3 198.310 0.607 10 0 ACAEHO C[NH2+][C@H](CCN)CC(C)C 238351688 573317152 /nfs/dbraw/zinc/31/71/52/573317152.db2.gz BUPYMNOQBHAMBG-MRVPVSSYSA-N 1 3 144.262 0.969 10 0 ACAEHO CC[NH+](CC)C[C@@H](O)[C@@H]1CCN1 259084252 573317251 /nfs/dbraw/zinc/31/72/51/573317251.db2.gz CUCIDOWPBCGAHP-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO Cc1nc([C@H](C)N)cn1CC[NH+](C)C 308552262 573317330 /nfs/dbraw/zinc/31/73/30/573317330.db2.gz QSIAINBHKDJDGS-QMMMGPOBSA-N 1 3 196.298 0.773 10 0 ACAEHO CN1CCC[C@H](C[C@@H](O)C[NH3+])C1 238350946 573317372 /nfs/dbraw/zinc/31/73/72/573317372.db2.gz JWWOJJTYPDHABN-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CCO)[NH2+]C[C@@H]1CCCNC1 132533493 573317374 /nfs/dbraw/zinc/31/73/74/573317374.db2.gz DIHDCAGWCILCCO-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@H](CCO)NC[C@@H]1CCC[NH2+]C1 132533493 573317384 /nfs/dbraw/zinc/31/73/84/573317384.db2.gz DIHDCAGWCILCCO-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO CN[C@@H](CO)[C@H]1CCCC[N@H+](C)C1 215146296 573318767 /nfs/dbraw/zinc/31/87/67/573318767.db2.gz SXHGQZKFJPJOCD-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@@H](CO)[C@H]1CCCC[N@@H+](C)C1 215146296 573318769 /nfs/dbraw/zinc/31/87/69/573318769.db2.gz SXHGQZKFJPJOCD-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H](N[C@H]1CCC[C@H]1O)C1C[NH2+]C1 686244731 573317733 /nfs/dbraw/zinc/31/77/33/573317733.db2.gz JWXPRYPJEWRMKC-UJNFCWOMSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCC[C@H]1O)C1CNC1 686244731 573317738 /nfs/dbraw/zinc/31/77/38/573317738.db2.gz JWXPRYPJEWRMKC-UJNFCWOMSA-N 1 3 184.283 0.097 10 0 ACAEHO CN[C@@H](CO)[C@@H]1CCCC[N@H+](C)C1 215146201 573317964 /nfs/dbraw/zinc/31/79/64/573317964.db2.gz SXHGQZKFJPJOCD-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@@H](CO)[C@@H]1CCCC[N@@H+](C)C1 215146201 573317970 /nfs/dbraw/zinc/31/79/70/573317970.db2.gz SXHGQZKFJPJOCD-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CCC[C@@H](C[NH3+])NCCc1cc[nH]n1 308551737 573318452 /nfs/dbraw/zinc/31/84/52/573318452.db2.gz SFCTZSNGMBJGTJ-JTQLQIEISA-N 1 3 196.298 0.669 10 0 ACAEHO Cc1nc([C@@H](C)N)cn1CC[NH+](C)C 308552261 573318537 /nfs/dbraw/zinc/31/85/37/573318537.db2.gz QSIAINBHKDJDGS-MRVPVSSYSA-N 1 3 196.298 0.773 10 0 ACAEHO CN1CCC[C@H]([C@@H]([NH3+])CCO)C1 238351512 573318630 /nfs/dbraw/zinc/31/86/30/573318630.db2.gz KSWSLADFDYTNPK-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](C[NH3+])[S@@](=O)CCCN(C)C 126073788 573318647 /nfs/dbraw/zinc/31/86/47/573318647.db2.gz ZCGYWYUUOZBHSM-QPUJVOFHSA-N 1 3 192.328 0.034 10 0 ACAEHO Cn1nc([C@H]2CCCCN2)cc1C[NH3+] 259416032 573318733 /nfs/dbraw/zinc/31/87/33/573318733.db2.gz YCEUPNITIIPSTK-SECBINFHSA-N 1 3 194.282 0.693 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)C1CNC1 686244727 573320682 /nfs/dbraw/zinc/32/06/82/573320682.db2.gz JWXPRYPJEWRMKC-HGNGGELXSA-N 1 3 184.283 0.097 10 0 ACAEHO CC[NH+](CC)C[C@@H](O)[C@H]1CCN1 259084255 573319786 /nfs/dbraw/zinc/31/97/86/573319786.db2.gz CUCIDOWPBCGAHP-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO CN[C@H](CO)[C@@H]1CCCC[N@H+](C)C1 215146250 573319927 /nfs/dbraw/zinc/31/99/27/573319927.db2.gz SXHGQZKFJPJOCD-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CN[C@H](CO)[C@@H]1CCCC[N@@H+](C)C1 215146250 573319932 /nfs/dbraw/zinc/31/99/32/573319932.db2.gz SXHGQZKFJPJOCD-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCN(CC)CCNC[C@H](C)C[NH3+] 308346633 573320207 /nfs/dbraw/zinc/32/02/07/573320207.db2.gz VTNAJBVNJGLWKG-SNVBAGLBSA-N 1 3 187.331 0.513 10 0 ACAEHO CCN(CC)CCNC[C@@H](C)C[NH3+] 308346632 573320274 /nfs/dbraw/zinc/32/02/74/573320274.db2.gz VTNAJBVNJGLWKG-JTQLQIEISA-N 1 3 187.331 0.513 10 0 ACAEHO C[C@H](CCO)N[C@H]1CC[C@H]([NH3+])C1 132540071 573320419 /nfs/dbraw/zinc/32/04/19/573320419.db2.gz XXCVESAOMCQERK-VGMNWLOBSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](CCO)[NH2+][C@H]1CC[C@H](N)C1 132540071 573320426 /nfs/dbraw/zinc/32/04/26/573320426.db2.gz XXCVESAOMCQERK-VGMNWLOBSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](N[C@H]1CCC[C@@H]1O)C1C[NH2+]C1 686244727 573320676 /nfs/dbraw/zinc/32/06/76/573320676.db2.gz JWXPRYPJEWRMKC-HGNGGELXSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H](CCO)[NH2+]C[C@H]1CCCNC1 132533922 573321342 /nfs/dbraw/zinc/32/13/42/573321342.db2.gz DIHDCAGWCILCCO-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@H](CCO)NC[C@H]1CCC[NH2+]C1 132533922 573321349 /nfs/dbraw/zinc/32/13/49/573321349.db2.gz DIHDCAGWCILCCO-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO [NH3+]C[C@@H](C1CC1)N1C[C@H]2C[C@H]2C1 74337002 573321860 /nfs/dbraw/zinc/32/18/60/573321860.db2.gz BQNCAPBRRIYEEV-AEJSXWLSSA-N 1 3 166.268 0.675 10 0 ACAEHO CC(C)(O)CC[N@@H+]1CCC[C@@H](N)C1 86236970 573321871 /nfs/dbraw/zinc/32/18/71/573321871.db2.gz FVAZYUSKVRORKX-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)(O)CC[N@H+]1CCC[C@@H](N)C1 86236970 573321876 /nfs/dbraw/zinc/32/18/76/573321876.db2.gz FVAZYUSKVRORKX-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](NCCO)C2 238342253 573321917 /nfs/dbraw/zinc/32/19/17/573321917.db2.gz SQMSMIURPZMUHX-ILWJIGKKSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@H+]1[C@H]2CC[C@@H]1C[C@H](NCCO)C2 238342253 573321924 /nfs/dbraw/zinc/32/19/24/573321924.db2.gz SQMSMIURPZMUHX-ILWJIGKKSA-N 1 3 184.283 0.194 10 0 ACAEHO [NH3+]C[C@H](C1CC1)N1C[C@H]2C[C@H]2C1 74336997 573323425 /nfs/dbraw/zinc/32/34/25/573323425.db2.gz BQNCAPBRRIYEEV-KXUCPTDWSA-N 1 3 166.268 0.675 10 0 ACAEHO CN(CCC[NH3+])CCC(C)(C)O 86234662 573323501 /nfs/dbraw/zinc/32/35/01/573323501.db2.gz AFTWYMZYKPXIBR-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO CN1CC[C@H]([C@H]([NH3+])C(C)(C)O)C1 259418037 573327261 /nfs/dbraw/zinc/32/72/61/573327261.db2.gz MPPPMKCOWYKCLV-YUMQZZPRSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]1[C@H](C[NH3+])C2CCN1CC2 259418263 573327314 /nfs/dbraw/zinc/32/73/14/573327314.db2.gz SRONFQHJEASGQL-CBAPKCEASA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]1[C@H](CN)C2CC[NH+]1CC2 259418263 573327320 /nfs/dbraw/zinc/32/73/20/573327320.db2.gz SRONFQHJEASGQL-CBAPKCEASA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]1CN([C@H]2CC[NH2+]C2)CCCN1C 258002937 573327325 /nfs/dbraw/zinc/32/73/25/573327325.db2.gz GGPPHZDUFMFOEG-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO CC(C)CCNC[C@H]1C[NH2+]C[C@@H]1O 308550040 573330816 /nfs/dbraw/zinc/33/08/16/573330816.db2.gz UZKOEGRFEXANTA-UWVGGRQHSA-N 1 3 186.299 0.202 10 0 ACAEHO CC(C)CCNC[C@@H]1C[NH2+]C[C@H]1O 308550039 573330265 /nfs/dbraw/zinc/33/02/65/573330265.db2.gz UZKOEGRFEXANTA-NXEZZACHSA-N 1 3 186.299 0.202 10 0 ACAEHO CO[C@@H]1C[NH2+][C@H](CN[C@@H]2CC[C@H]2C)C1 308549725 573330917 /nfs/dbraw/zinc/33/09/17/573330917.db2.gz RGJXXXFKZWFARS-VPOLOUISSA-N 1 3 198.310 0.751 10 0 ACAEHO CO[C@H](C)CNC[C@@H](C)C[NH+](C)C 308349223 573330537 /nfs/dbraw/zinc/33/05/37/573330537.db2.gz XMWVEISQXURDLA-NXEZZACHSA-N 1 3 188.315 0.809 10 0 ACAEHO CO[C@H](C)CNC[C@H](C)C[NH+](C)C 308349225 573330584 /nfs/dbraw/zinc/33/05/84/573330584.db2.gz XMWVEISQXURDLA-VHSXEESVSA-N 1 3 188.315 0.809 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[NH2+]C2)CCCN1C 258002932 573330672 /nfs/dbraw/zinc/33/06/72/573330672.db2.gz GGPPHZDUFMFOEG-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CO[C@@H](C)CNC[C@@H](C)C[NH+](C)C 308349226 573332070 /nfs/dbraw/zinc/33/20/70/573332070.db2.gz XMWVEISQXURDLA-ZJUUUORDSA-N 1 3 188.315 0.809 10 0 ACAEHO C[C@H](CC[NH3+])C(=O)C1CCN(C)CC1 259085881 573332524 /nfs/dbraw/zinc/33/25/24/573332524.db2.gz FXQZUWFPOVUXIL-SECBINFHSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@H]1CC[C@H](O)C1 308349412 573333120 /nfs/dbraw/zinc/33/31/20/573333120.db2.gz XQDYMJSOEPONSW-BBBLOLIVSA-N 1 3 186.299 0.332 10 0 ACAEHO CCC[C@@H]([NH3+])C[C@@H]1CNCCO1 259421885 573334925 /nfs/dbraw/zinc/33/49/25/573334925.db2.gz MTNLQTRPHZRDOI-RKDXNWHRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[C@H]1CC[NH2+][C@@H](C2CC2)CN1 82961048 573336273 /nfs/dbraw/zinc/33/62/73/573336273.db2.gz YYBJTNVMNPBUOA-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO CC[C@@H](C)[C@H]1C[NH2+]CCCN1 82960972 573335129 /nfs/dbraw/zinc/33/51/29/573335129.db2.gz QCBCDZRAVVOYON-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO COCC[N@@H+]1C[C@H](CN)CC1(C)C 259422261 573335472 /nfs/dbraw/zinc/33/54/72/573335472.db2.gz NMYJLACMGDUUTP-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO COCC[N@H+]1C[C@H](CN)CC1(C)C 259422261 573335476 /nfs/dbraw/zinc/33/54/76/573335476.db2.gz NMYJLACMGDUUTP-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1CC[NH2+][C@@H](C2CC2)CN1 82961047 573335507 /nfs/dbraw/zinc/33/55/07/573335507.db2.gz YYBJTNVMNPBUOA-VXNVDRBHSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1CCN[C@@H](C2CC2)C[NH2+]1 82961047 573335513 /nfs/dbraw/zinc/33/55/13/573335513.db2.gz YYBJTNVMNPBUOA-VXNVDRBHSA-N 1 3 154.257 0.736 10 0 ACAEHO CN(C)CCN1CC[C@@H]([NH3+])CC1(C)C 259422251 573335538 /nfs/dbraw/zinc/33/55/38/573335538.db2.gz NMUXOQKFMWSFQV-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CC(C)[C@H]1CN[C@H](C)CC[NH2+]1 82960993 573335739 /nfs/dbraw/zinc/33/57/39/573335739.db2.gz ZZUUQFFKCAFBNX-RKDXNWHRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)[C@H]1C[NH2+][C@H](C)CCN1 82960993 573335751 /nfs/dbraw/zinc/33/57/51/573335751.db2.gz ZZUUQFFKCAFBNX-RKDXNWHRSA-N 1 3 156.273 0.982 10 0 ACAEHO CCC[C@H]1C[NH2+]CCCN1 82960976 573335786 /nfs/dbraw/zinc/33/57/86/573335786.db2.gz TYSNWHLLKKFVLG-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CC[C@@H]1CN[C@H](C)CC[NH2+]1 82961033 573335812 /nfs/dbraw/zinc/33/58/12/573335812.db2.gz LFRKMGYONGUDGN-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@@H]1C[NH2+][C@H](C)CCN1 82961033 573335819 /nfs/dbraw/zinc/33/58/19/573335819.db2.gz LFRKMGYONGUDGN-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO C[C@H](CN)C[NH2+]C[C@@H]1CC[C@@H](O)C1 308349423 573335826 /nfs/dbraw/zinc/33/58/26/573335826.db2.gz XQDYMJSOEPONSW-OPRDCNLKSA-N 1 3 186.299 0.332 10 0 ACAEHO CC[C@H](C)[C@@H]1C[NH2+]CCCN1 82960971 573335845 /nfs/dbraw/zinc/33/58/45/573335845.db2.gz QCBCDZRAVVOYON-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@]1(C2CC2)CNCCC[NH2+]1 82960978 573335996 /nfs/dbraw/zinc/33/59/96/573335996.db2.gz GMOWDJJOXUBYSQ-SECBINFHSA-N 1 3 154.257 0.738 10 0 ACAEHO C[C@]1(C2CC2)C[NH2+]CCCN1 82960978 573336003 /nfs/dbraw/zinc/33/60/03/573336003.db2.gz GMOWDJJOXUBYSQ-SECBINFHSA-N 1 3 154.257 0.738 10 0 ACAEHO CNC[C@H](F)C[C@H]1CCC[NH2+]1 258631347 573336084 /nfs/dbraw/zinc/33/60/84/573336084.db2.gz XVRNKKAJCWHWAD-HTQZYQBOSA-N 1 3 160.236 0.686 10 0 ACAEHO CC(C)[C@@H]([NH3+])C[C@@H]1CN(C)CCN1 259422049 573336470 /nfs/dbraw/zinc/33/64/70/573336470.db2.gz MUQGTNWGKCFYIH-ZJUUUORDSA-N 1 3 185.315 0.263 10 0 ACAEHO CC(C)[C@@H]1CN[C@H](C)CC[NH2+]1 82960991 573336158 /nfs/dbraw/zinc/33/61/58/573336158.db2.gz ZZUUQFFKCAFBNX-BDAKNGLRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)[C@@H]1C[NH2+][C@H](C)CCN1 82960991 573336165 /nfs/dbraw/zinc/33/61/65/573336165.db2.gz ZZUUQFFKCAFBNX-BDAKNGLRSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@H]1CCN[C@@H](C2CC2)C[NH2+]1 82961048 573336282 /nfs/dbraw/zinc/33/62/82/573336282.db2.gz YYBJTNVMNPBUOA-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO CC[C@H](C[C@H](C)N)[NH2+]C 259421872 573336309 /nfs/dbraw/zinc/33/63/09/573336309.db2.gz MTMIVBYCUKUBFR-NKWVEPMBSA-N 1 3 130.235 0.722 10 0 ACAEHO CO[C@H](C)[C@H](C)N1CCC[C@H]1C[NH3+] 252933372 573337267 /nfs/dbraw/zinc/33/72/67/573337267.db2.gz CXAPRYQOTPBECC-AEJSXWLSSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H]1CN[C@H](C)CC[NH2+]1 82961034 573337295 /nfs/dbraw/zinc/33/72/95/573337295.db2.gz LFRKMGYONGUDGN-SFYZADRCSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@H]1C[NH2+][C@H](C)CCN1 82961034 573337301 /nfs/dbraw/zinc/33/73/01/573337301.db2.gz LFRKMGYONGUDGN-SFYZADRCSA-N 1 3 142.246 0.736 10 0 ACAEHO [NH3+]C[C@@H]1CCN(CCCCO)C1 50249387 573339268 /nfs/dbraw/zinc/33/92/68/573339268.db2.gz YODXPZNKVVHSPW-VIFPVBQESA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@@H]1CC[N@H+](CCCCO)C1 50249387 573339272 /nfs/dbraw/zinc/33/92/72/573339272.db2.gz YODXPZNKVVHSPW-VIFPVBQESA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@@H]1CC[N@@H+](CCCCO)C1 50249387 573339278 /nfs/dbraw/zinc/33/92/78/573339278.db2.gz YODXPZNKVVHSPW-VIFPVBQESA-N 1 3 172.272 0.040 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@H]1C[C@H](O)C1(C)C 308352552 573339295 /nfs/dbraw/zinc/33/92/95/573339295.db2.gz ZCYIIZNCWFFFGZ-HLTSFMKQSA-N 1 3 186.299 0.330 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1C[C@H](O)C1(C)C 308352552 573339300 /nfs/dbraw/zinc/33/93/00/573339300.db2.gz ZCYIIZNCWFFFGZ-HLTSFMKQSA-N 1 3 186.299 0.330 10 0 ACAEHO CC[C@H](C)[C@H]1C[NH2+]CCCN1 82960973 573339398 /nfs/dbraw/zinc/33/93/98/573339398.db2.gz QCBCDZRAVVOYON-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO [NH3+]C[C@H]1CCN(CCCCO)C1 50249389 573339443 /nfs/dbraw/zinc/33/94/43/573339443.db2.gz YODXPZNKVVHSPW-SECBINFHSA-N 1 3 172.272 0.040 10 0 ACAEHO CNC[C@@H](F)C[C@H]1CCC[NH2+]1 258631351 573339444 /nfs/dbraw/zinc/33/94/44/573339444.db2.gz XVRNKKAJCWHWAD-JGVFFNPUSA-N 1 3 160.236 0.686 10 0 ACAEHO NC[C@H]1CC[N@H+](CCCCO)C1 50249389 573339448 /nfs/dbraw/zinc/33/94/48/573339448.db2.gz YODXPZNKVVHSPW-SECBINFHSA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@H]1CC[N@@H+](CCCCO)C1 50249389 573339452 /nfs/dbraw/zinc/33/94/52/573339452.db2.gz YODXPZNKVVHSPW-SECBINFHSA-N 1 3 172.272 0.040 10 0 ACAEHO C[C@H](CN[C@@H]1CCOC1)C[NH+](C)C 308352609 573339574 /nfs/dbraw/zinc/33/95/74/573339574.db2.gz ZENWDOLMDUKMDR-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO CC(C)(C)[C@H]1C[NH2+]CCCN1 82960981 573339707 /nfs/dbraw/zinc/33/97/07/573339707.db2.gz AGTCGCOJSCMHDA-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@H]1CN([C@H]2CCCCN2)CC[NH2+]1 257789536 573339751 /nfs/dbraw/zinc/33/97/51/573339751.db2.gz XGBLLCYDUMQEAS-UWVGGRQHSA-N 1 3 183.299 0.380 10 0 ACAEHO CC[C@@H]1CN[C@@H](C)CC[NH2+]1 82961035 573339867 /nfs/dbraw/zinc/33/98/67/573339867.db2.gz LFRKMGYONGUDGN-JGVFFNPUSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@@H]1C[NH2+][C@@H](C)CCN1 82961035 573339871 /nfs/dbraw/zinc/33/98/71/573339871.db2.gz LFRKMGYONGUDGN-JGVFFNPUSA-N 1 3 142.246 0.736 10 0 ACAEHO N[C@@H](c1ccccn1)C1CC([NH3+])C1 259423275 573339877 /nfs/dbraw/zinc/33/98/77/573339877.db2.gz PCTWBRQXELRZGS-SFVIPPHHSA-N 1 3 177.251 0.819 10 0 ACAEHO CC[C@@]1(C)CNCCC[NH2+]1 82960989 573340240 /nfs/dbraw/zinc/34/02/40/573340240.db2.gz UTUHXJLGWNNBJL-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CC[C@@]1(C)C[NH2+]CCCN1 82960989 573340248 /nfs/dbraw/zinc/34/02/48/573340248.db2.gz UTUHXJLGWNNBJL-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@H]1CC[C@H](O)CC1 308352952 573340289 /nfs/dbraw/zinc/34/02/89/573340289.db2.gz ZMEBQFVSVYVUOR-GUBZILKMSA-N 1 3 186.299 0.474 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@H]1C[C@@H](O)C1(C)C 308352556 573340329 /nfs/dbraw/zinc/34/03/29/573340329.db2.gz ZCYIIZNCWFFFGZ-IWSPIJDZSA-N 1 3 186.299 0.330 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](O)C1(C)C 308352556 573340332 /nfs/dbraw/zinc/34/03/32/573340332.db2.gz ZCYIIZNCWFFFGZ-IWSPIJDZSA-N 1 3 186.299 0.330 10 0 ACAEHO CNC[C@H](F)C[C@@H]1CCC[NH2+]1 258631354 573340385 /nfs/dbraw/zinc/34/03/85/573340385.db2.gz XVRNKKAJCWHWAD-SFYZADRCSA-N 1 3 160.236 0.686 10 0 ACAEHO C[C@H]1CC[NH2+][C@@H](C)CN1 82961006 573340485 /nfs/dbraw/zinc/34/04/85/573340485.db2.gz SNWRXYHBFWBLGR-BQBZGAKWSA-N 1 3 128.219 0.346 10 0 ACAEHO CCC[NH2+]C1(CN)CCN(C)CC1 50270596 573341420 /nfs/dbraw/zinc/34/14/20/573341420.db2.gz LXZGLDFISHUXIU-UHFFFAOYSA-N 1 3 185.315 0.409 10 0 ACAEHO CC(C)(C)[C@@H]1C[NH2+]CCCN1 82960980 573340532 /nfs/dbraw/zinc/34/05/32/573340532.db2.gz AGTCGCOJSCMHDA-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO [NH3+][C@@H]1CCN2CCC[C@@H]2[C@@H]1F 258633318 573340594 /nfs/dbraw/zinc/34/05/94/573340594.db2.gz YAXOQXSUMOPEMO-BWZBUEFSSA-N 1 3 158.220 0.520 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H](C)CN1 82961003 573340615 /nfs/dbraw/zinc/34/06/15/573340615.db2.gz SNWRXYHBFWBLGR-RNFRBKRXSA-N 1 3 128.219 0.346 10 0 ACAEHO C[C@@]1(C2CC2)CNCCC[NH2+]1 82960979 573340706 /nfs/dbraw/zinc/34/07/06/573340706.db2.gz GMOWDJJOXUBYSQ-VIFPVBQESA-N 1 3 154.257 0.738 10 0 ACAEHO C[C@@]1(C2CC2)C[NH2+]CCCN1 82960979 573340711 /nfs/dbraw/zinc/34/07/11/573340711.db2.gz GMOWDJJOXUBYSQ-VIFPVBQESA-N 1 3 154.257 0.738 10 0 ACAEHO CC(C)[C@H]1CN[C@@H](C)CC[NH2+]1 82960994 573340815 /nfs/dbraw/zinc/34/08/15/573340815.db2.gz ZZUUQFFKCAFBNX-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)[C@H]1C[NH2+][C@@H](C)CCN1 82960994 573340817 /nfs/dbraw/zinc/34/08/17/573340817.db2.gz ZZUUQFFKCAFBNX-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO [NH3+]C[C@@H](NC1CC1)[C@@H]1CCOC1 50271230 573340995 /nfs/dbraw/zinc/34/09/95/573340995.db2.gz IUQLQVXSDILQTC-VXNVDRBHSA-N 1 3 170.256 0.102 10 0 ACAEHO C[C@H]1CC[NH2+][C@H](C)CN1 82961004 573341056 /nfs/dbraw/zinc/34/10/56/573341056.db2.gz SNWRXYHBFWBLGR-NKWVEPMBSA-N 1 3 128.219 0.346 10 0 ACAEHO C[C@@H]1CN([C@H]2CCCCN2)CC[NH2+]1 257789537 573342812 /nfs/dbraw/zinc/34/28/12/573342812.db2.gz XGBLLCYDUMQEAS-ZJUUUORDSA-N 1 3 183.299 0.380 10 0 ACAEHO CCN1CCC[C@@H]1N1CC[NH2+][C@H](C)C1 258292404 573342819 /nfs/dbraw/zinc/34/28/19/573342819.db2.gz VTUBHAJXWRTDKW-MNOVXSKESA-N 1 3 197.326 0.722 10 0 ACAEHO C[C@H](CN)C[NH2+]C1CCC(O)CC1 308352955 573343916 /nfs/dbraw/zinc/34/39/16/573343916.db2.gz ZMEBQFVSVYVUOR-XNWIYYODSA-N 1 3 186.299 0.474 10 0 ACAEHO [NH3+]C[C@H](CNC1CC1)c1ccncc1 258288667 573344251 /nfs/dbraw/zinc/34/42/51/573344251.db2.gz NOWSBSYTYVSDAA-SNVBAGLBSA-N 1 3 191.278 0.876 10 0 ACAEHO [NH3+]C[C@H](NC1CC1)[C@H]1CCOC1 50271231 573344361 /nfs/dbraw/zinc/34/43/61/573344361.db2.gz IUQLQVXSDILQTC-CBAPKCEASA-N 1 3 170.256 0.102 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCCN[C@H](C)C1 258287605 573344424 /nfs/dbraw/zinc/34/44/24/573344424.db2.gz VOZQNFJWTKTTNK-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@H](O)C[N@H+]1CCCN[C@H](C)C1 258287605 573344430 /nfs/dbraw/zinc/34/44/30/573344430.db2.gz VOZQNFJWTKTTNK-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@H]1[NH2+]CC[C@@H]1CNC1CC1 86272729 573345170 /nfs/dbraw/zinc/34/51/70/573345170.db2.gz NNMIOQOHCSKMCI-HTQZYQBOSA-N 1 3 154.257 0.736 10 0 ACAEHO CCN1CCC[C@@H]1N1CC[NH2+][C@@H](C)C1 258292408 573345263 /nfs/dbraw/zinc/34/52/63/573345263.db2.gz VTUBHAJXWRTDKW-QWRGUYRKSA-N 1 3 197.326 0.722 10 0 ACAEHO CN1CCN(C[C@H](C[NH3+])C2CC2)CC1 258288790 573345364 /nfs/dbraw/zinc/34/53/64/573345364.db2.gz NRUGDQUXWREREV-NSHDSACASA-N 1 3 197.326 0.219 10 0 ACAEHO COCC[C@](C)(C[NH3+])NC1CC1 50271377 573345374 /nfs/dbraw/zinc/34/53/74/573345374.db2.gz XTYSMXIQDMTKHM-SECBINFHSA-N 1 3 172.272 0.492 10 0 ACAEHO CNC[C@H]1CC[NH2+][C@H]1C 86272742 573345462 /nfs/dbraw/zinc/34/54/62/573345462.db2.gz YVQIHWAOGVKYOV-NKWVEPMBSA-N 1 3 128.219 0.204 10 0 ACAEHO CCN(C)C[C@@H]1CC[NH2+][C@@H]1C 86272555 573345565 /nfs/dbraw/zinc/34/55/65/573345565.db2.gz UZMIDUNSPHOHKQ-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCCNC[C@@H]1CC[NH2+][C@@H]1C 86272707 573345605 /nfs/dbraw/zinc/34/56/05/573345605.db2.gz MWZVKFYRTNFNFR-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CCN1CCn2cnc(C[NH3+])c2C1 258634060 573345651 /nfs/dbraw/zinc/34/56/51/573345651.db2.gz RJFZKXTWUNDQCS-UHFFFAOYSA-N 1 3 180.255 0.177 10 0 ACAEHO CC[C@@H](CC[NH3+])N(C)[C@@H]1CCN(C)C1 308557434 573345655 /nfs/dbraw/zinc/34/56/55/573345655.db2.gz BYBONMGJVIBXKZ-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](O)C[N@H+]1CCCN[C@@H](C)C1 258287608 573345846 /nfs/dbraw/zinc/34/58/46/573345846.db2.gz VOZQNFJWTKTTNK-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1CNC1CC1 86272728 573345766 /nfs/dbraw/zinc/34/57/66/573345766.db2.gz NNMIOQOHCSKMCI-YUMQZZPRSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+][C@@H]1C 86273061 573345806 /nfs/dbraw/zinc/34/58/06/573345806.db2.gz VMWMXPGIMPTGEP-IMSYWVGJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCCN[C@@H](C)C1 258287608 573345838 /nfs/dbraw/zinc/34/58/38/573345838.db2.gz VOZQNFJWTKTTNK-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCCN[C@H](C)C1 258287610 573346819 /nfs/dbraw/zinc/34/68/19/573346819.db2.gz VOZQNFJWTKTTNK-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO CN1CCN(C[C@@H](C[NH3+])C2CC2)CC1 258288787 573346507 /nfs/dbraw/zinc/34/65/07/573346507.db2.gz NRUGDQUXWREREV-LLVKDONJSA-N 1 3 197.326 0.219 10 0 ACAEHO CCNC[C@@H]1CC[NH2+][C@H]1C 86272745 573346544 /nfs/dbraw/zinc/34/65/44/573346544.db2.gz DKDVMFHRZQWGIH-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)N1CC[C@](CN)([NH2+]C2CC2)C1 50271386 573346592 /nfs/dbraw/zinc/34/65/92/573346592.db2.gz CZAVAJFHWVGJRX-LLVKDONJSA-N 1 3 197.326 0.550 10 0 ACAEHO CC(C)N1CC[C@](C[NH3+])(NC2CC2)C1 50271386 573346597 /nfs/dbraw/zinc/34/65/97/573346597.db2.gz CZAVAJFHWVGJRX-LLVKDONJSA-N 1 3 197.326 0.550 10 0 ACAEHO CCNC[C@H]1CC[NH2+][C@H]1C 86272746 573346644 /nfs/dbraw/zinc/34/66/44/573346644.db2.gz DKDVMFHRZQWGIH-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCCN[C@H](C)C1 258287610 573346813 /nfs/dbraw/zinc/34/68/13/573346813.db2.gz VOZQNFJWTKTTNK-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H](C[NH3+])c1cncn1CCN(C)C 308559374 573349370 /nfs/dbraw/zinc/34/93/70/573349370.db2.gz DGNGKMPFVSWZNP-VIFPVBQESA-N 1 3 196.298 0.507 10 0 ACAEHO CC[C@@H](CC[NH3+])N(C)[C@H]1CCN(C)C1 308557432 573348733 /nfs/dbraw/zinc/34/87/33/573348733.db2.gz BYBONMGJVIBXKZ-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@H](CN)CC[C@@H]1C 235567978 573348762 /nfs/dbraw/zinc/34/87/62/573348762.db2.gz YQRLNDQSWDAFSG-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@H](CN)CC[C@@H]1C 235567978 573348766 /nfs/dbraw/zinc/34/87/66/573348766.db2.gz YQRLNDQSWDAFSG-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CN1C[C@H](C[NH3+])CC[C@@H]1C 235567978 573348770 /nfs/dbraw/zinc/34/87/70/573348770.db2.gz YQRLNDQSWDAFSG-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]([NH3+])[C@@H](CO)N1CCCCCC1 82986986 573348793 /nfs/dbraw/zinc/34/87/93/573348793.db2.gz LMRYWANWWAPEGQ-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CCCNC[C@H]1CC[NH2+][C@H]1C 86272710 573348973 /nfs/dbraw/zinc/34/89/73/573348973.db2.gz MWZVKFYRTNFNFR-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@H](CN1CCC([NH3+])CC1)OC 308359845 573348906 /nfs/dbraw/zinc/34/89/06/573348906.db2.gz CWPOEAQMXKVCPL-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCCNC[C@@H]1CC[NH2+][C@H]1C 86272709 573349125 /nfs/dbraw/zinc/34/91/25/573349125.db2.gz MWZVKFYRTNFNFR-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)[C@@H]1C[C@@H](N)CC[NH2+]1 107115967 573349151 /nfs/dbraw/zinc/34/91/51/573349151.db2.gz IASMJJWINMYULV-YUMQZZPRSA-N 1 3 142.246 0.722 10 0 ACAEHO CC(C)[C@@H]1C[C@@H]([NH3+])CCN1 107115967 573349156 /nfs/dbraw/zinc/34/91/56/573349156.db2.gz IASMJJWINMYULV-YUMQZZPRSA-N 1 3 142.246 0.722 10 0 ACAEHO CO[C@@H](C[NH3+])CN[C@H](C)CC(F)F 308359867 573349619 /nfs/dbraw/zinc/34/96/19/573349619.db2.gz CYWUUMJLUKEEKP-RQJHMYQMSA-N 1 3 196.241 0.593 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1CNC1CC1 86272730 573349218 /nfs/dbraw/zinc/34/92/18/573349218.db2.gz NNMIOQOHCSKMCI-JGVFFNPUSA-N 1 3 154.257 0.736 10 0 ACAEHO CCNC[C@@H]1CC[NH2+][C@@H]1C 86272743 573349346 /nfs/dbraw/zinc/34/93/46/573349346.db2.gz DKDVMFHRZQWGIH-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H](C[NH3+])c1cncn1CCN(C)C 308559372 573350450 /nfs/dbraw/zinc/35/04/50/573350450.db2.gz DGNGKMPFVSWZNP-SECBINFHSA-N 1 3 196.298 0.507 10 0 ACAEHO CO[C@@H](CN)C[NH2+][C@H](C)CC(F)F 308359867 573349627 /nfs/dbraw/zinc/34/96/27/573349627.db2.gz CYWUUMJLUKEEKP-RQJHMYQMSA-N 1 3 196.241 0.593 10 0 ACAEHO C[C@@H]([NH3+])[C@H](CO)N1CCCCCC1 82986989 573349677 /nfs/dbraw/zinc/34/96/77/573349677.db2.gz LMRYWANWWAPEGQ-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CO[C@H](C[NH3+])CN[C@@H](C)CC(F)F 308359859 573349909 /nfs/dbraw/zinc/34/99/09/573349909.db2.gz CYWUUMJLUKEEKP-NKWVEPMBSA-N 1 3 196.241 0.593 10 0 ACAEHO CO[C@H](CN)C[NH2+][C@@H](C)CC(F)F 308359859 573349915 /nfs/dbraw/zinc/34/99/15/573349915.db2.gz CYWUUMJLUKEEKP-NKWVEPMBSA-N 1 3 196.241 0.593 10 0 ACAEHO CNC[C@@H]1CC[NH2+][C@@H]1C 86272739 573349994 /nfs/dbraw/zinc/34/99/94/573349994.db2.gz YVQIHWAOGVKYOV-RQJHMYQMSA-N 1 3 128.219 0.204 10 0 ACAEHO C[C@@H]1C[NH2+][C@@](C)([C@H]2CCN(C)C2)O1 258491739 573350023 /nfs/dbraw/zinc/35/00/23/573350023.db2.gz LQAPXRXMDJXOLD-KXUCPTDWSA-N 1 3 184.283 0.663 10 0 ACAEHO CO[C@@H](C[NH3+])CN[C@@H](C)CC(F)F 308359857 573350185 /nfs/dbraw/zinc/35/01/85/573350185.db2.gz CYWUUMJLUKEEKP-BQBZGAKWSA-N 1 3 196.241 0.593 10 0 ACAEHO CO[C@@H](CN)C[NH2+][C@@H](C)CC(F)F 308359857 573350193 /nfs/dbraw/zinc/35/01/93/573350193.db2.gz CYWUUMJLUKEEKP-BQBZGAKWSA-N 1 3 196.241 0.593 10 0 ACAEHO CCN(C)C[C@H]1CC[NH2+][C@@H]1C 86272556 573350213 /nfs/dbraw/zinc/35/02/13/573350213.db2.gz UZMIDUNSPHOHKQ-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[N@@H+]1CC[C@](CN)(C2CC2)C1 107117788 573350275 /nfs/dbraw/zinc/35/02/75/573350275.db2.gz UQAVCYSBKQDCMZ-SECBINFHSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@H+]1CC[C@](CN)(C2CC2)C1 107117788 573350279 /nfs/dbraw/zinc/35/02/79/573350279.db2.gz UQAVCYSBKQDCMZ-SECBINFHSA-N 1 3 154.257 0.677 10 0 ACAEHO NC[C@@H](CCO)C[NH2+]C1CCC1 258009059 573350282 /nfs/dbraw/zinc/35/02/82/573350282.db2.gz FHHZLYZFNPBTEC-MRVPVSSYSA-N 1 3 172.272 0.086 10 0 ACAEHO CC(C)[C@H]1C[C@H](N)CC[NH2+]1 107115965 573350311 /nfs/dbraw/zinc/35/03/11/573350311.db2.gz IASMJJWINMYULV-HTQZYQBOSA-N 1 3 142.246 0.722 10 0 ACAEHO CC(C)[C@H]1C[C@H]([NH3+])CCN1 107115965 573350317 /nfs/dbraw/zinc/35/03/17/573350317.db2.gz IASMJJWINMYULV-HTQZYQBOSA-N 1 3 142.246 0.722 10 0 ACAEHO CNC[C@H]1CC[NH2+][C@@H]1C 86272741 573350320 /nfs/dbraw/zinc/35/03/20/573350320.db2.gz YVQIHWAOGVKYOV-RNFRBKRXSA-N 1 3 128.219 0.204 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](CO)N1CCCCCC1 82986987 573350341 /nfs/dbraw/zinc/35/03/41/573350341.db2.gz LMRYWANWWAPEGQ-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@H+]1CC[C@@H](N)C[C@@H]1C1CC1 107117817 573351671 /nfs/dbraw/zinc/35/16/71/573351671.db2.gz PGNFIQXYNLAAIW-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[N@@H+]1CC[C@@](CN)(C2CC2)C1 107117785 573350876 /nfs/dbraw/zinc/35/08/76/573350876.db2.gz UQAVCYSBKQDCMZ-VIFPVBQESA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@H+]1CC[C@@](CN)(C2CC2)C1 107117785 573350878 /nfs/dbraw/zinc/35/08/78/573350878.db2.gz UQAVCYSBKQDCMZ-VIFPVBQESA-N 1 3 154.257 0.677 10 0 ACAEHO C[NH2+]C[C@H](C)NCC12CCN(CC1)C2 715778829 573350906 /nfs/dbraw/zinc/35/09/06/573350906.db2.gz JHJCOTLMURDXMU-JTQLQIEISA-N 1 3 197.326 0.280 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)C[C@@H]1C1CC1 107117817 573351663 /nfs/dbraw/zinc/35/16/63/573351663.db2.gz PGNFIQXYNLAAIW-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CC[C@@H]([NH3+])C[C@@H]1C1CC1 107117817 573351656 /nfs/dbraw/zinc/35/16/56/573351656.db2.gz PGNFIQXYNLAAIW-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CC[C@H]([NH3+])C[C@@H]1C1CC1 107117815 573352452 /nfs/dbraw/zinc/35/24/52/573352452.db2.gz PGNFIQXYNLAAIW-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C[C@@H]1C1CC1 107117815 573352457 /nfs/dbraw/zinc/35/24/57/573352457.db2.gz PGNFIQXYNLAAIW-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO C[N@H+]1CC[C@H](N)C[C@@H]1C1CC1 107117815 573352458 /nfs/dbraw/zinc/35/24/58/573352458.db2.gz PGNFIQXYNLAAIW-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](NC[C@H]1CC[C@@H](C)O1)C1C[NH2+]C1 686253494 573352809 /nfs/dbraw/zinc/35/28/09/573352809.db2.gz KUVAGWIWOAUHPZ-WCABBAIRSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)C1CNC1 686253494 573352817 /nfs/dbraw/zinc/35/28/17/573352817.db2.gz KUVAGWIWOAUHPZ-WCABBAIRSA-N 1 3 198.310 0.751 10 0 ACAEHO COCCN1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 86303392 573352878 /nfs/dbraw/zinc/35/28/78/573352878.db2.gz YOJCMCPUIBZXAF-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@H]([NH3+])[C@H](CO)N1CCCCCC1 82986988 573352948 /nfs/dbraw/zinc/35/29/48/573352948.db2.gz LMRYWANWWAPEGQ-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](NC[C@@H]1CC[C@@H](C)O1)C1C[NH2+]C1 686253498 573352991 /nfs/dbraw/zinc/35/29/91/573352991.db2.gz KUVAGWIWOAUHPZ-YWVKMMECSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C1CNC1 686253498 573353000 /nfs/dbraw/zinc/35/30/00/573353000.db2.gz KUVAGWIWOAUHPZ-YWVKMMECSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+]C[C@H](C)CCO)C1CNC1 686242931 573354254 /nfs/dbraw/zinc/35/42/54/573354254.db2.gz HVOLQQVPLJRVQV-BDAKNGLRSA-N 1 3 186.299 0.202 10 0 ACAEHO Nc1cccc2cnc(CCC[NH3+])n12 258493680 573354302 /nfs/dbraw/zinc/35/43/02/573354302.db2.gz ZLQMYIIGFXGLIV-UHFFFAOYSA-N 1 3 190.250 0.808 10 0 ACAEHO C[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 235569598 573354644 /nfs/dbraw/zinc/35/46/44/573354644.db2.gz JQZXYQQVMWAYES-AEJSXWLSSA-N 1 3 198.310 0.297 10 0 ACAEHO C[NH2+]C[C@H](CN)C(C)(C)C 258292995 573354930 /nfs/dbraw/zinc/35/49/30/573354930.db2.gz VWWWOHCLEXNVND-ZETCQYMHSA-N 1 3 144.262 0.827 10 0 ACAEHO C[C@@H](CCO)C[NH2+][C@H](C)C1CNC1 686242932 573355339 /nfs/dbraw/zinc/35/53/39/573355339.db2.gz HVOLQQVPLJRVQV-DTWKUNHWSA-N 1 3 186.299 0.202 10 0 ACAEHO C[C@@H](CCO)[N@@H+]1CCC[C@@H](N)C1 238368331 573355389 /nfs/dbraw/zinc/35/53/89/573355389.db2.gz SYRKRUFNFCOOEX-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CCO)[N@H+]1CCC[C@@H](N)C1 238368331 573355394 /nfs/dbraw/zinc/35/53/94/573355394.db2.gz SYRKRUFNFCOOEX-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CCO)C[NH2+][C@H](C)C1CNC1 686242935 573355420 /nfs/dbraw/zinc/35/54/20/573355420.db2.gz HVOLQQVPLJRVQV-RKDXNWHRSA-N 1 3 186.299 0.202 10 0 ACAEHO COCCN1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303389 573355660 /nfs/dbraw/zinc/35/56/60/573355660.db2.gz YOJCMCPUIBZXAF-UTLUCORTSA-N 1 3 186.299 0.690 10 0 ACAEHO C[NH2+]C[C@@H](CN)C(C)(C)C 258292993 573355675 /nfs/dbraw/zinc/35/56/75/573355675.db2.gz VWWWOHCLEXNVND-SSDOTTSWSA-N 1 3 144.262 0.827 10 0 ACAEHO C[C@@H](CCO)[N@H+]1CCCNCC1 238368247 573355873 /nfs/dbraw/zinc/35/58/73/573355873.db2.gz MYLDLMQIEGQEHY-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO COC[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238367435 573355708 /nfs/dbraw/zinc/35/57/08/573355708.db2.gz LWCUTBAQODYHJP-DBIOUOCHSA-N 1 3 198.310 0.975 10 0 ACAEHO COC[C@@H](C)[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238367435 573355715 /nfs/dbraw/zinc/35/57/15/573355715.db2.gz LWCUTBAQODYHJP-DBIOUOCHSA-N 1 3 198.310 0.975 10 0 ACAEHO COC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238367435 573355717 /nfs/dbraw/zinc/35/57/17/573355717.db2.gz LWCUTBAQODYHJP-DBIOUOCHSA-N 1 3 198.310 0.975 10 0 ACAEHO CC(C)(C)C[N@@H+]1C[C@H]2[C@H](N)[C@H]2C1 259426600 573355730 /nfs/dbraw/zinc/35/57/30/573355730.db2.gz TVFRKDCGALSGIX-BRPSZJMVSA-N 1 3 168.284 0.921 10 0 ACAEHO CC(C)(C)C[N@H+]1C[C@H]2[C@H](N)[C@H]2C1 259426600 573355736 /nfs/dbraw/zinc/35/57/36/573355736.db2.gz TVFRKDCGALSGIX-BRPSZJMVSA-N 1 3 168.284 0.921 10 0 ACAEHO C[C@@H](CCO)C[NH2+][C@@H](C)C1CNC1 686242933 573355839 /nfs/dbraw/zinc/35/58/39/573355839.db2.gz HVOLQQVPLJRVQV-IUCAKERBSA-N 1 3 186.299 0.202 10 0 ACAEHO C[C@@H](CCO)[N@@H+]1CCCNCC1 238368247 573355866 /nfs/dbraw/zinc/35/58/66/573355866.db2.gz MYLDLMQIEGQEHY-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC(C)(N)C[N@H+]1CCC[C@@H]1CO 107123994 573358073 /nfs/dbraw/zinc/35/80/73/573358073.db2.gz RMDUDTMUDMXAJK-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO CO[C@H](CN)C[NH+]1CCCC1 107119271 573356879 /nfs/dbraw/zinc/35/68/79/573356879.db2.gz MOEPNVYHZMLGIH-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CO[C@H](C[NH3+])CN1CCCC1 107119271 573356881 /nfs/dbraw/zinc/35/68/81/573356881.db2.gz MOEPNVYHZMLGIH-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO C[NH2+]C[C@@H](C)[C@@H](C)N(C)C 86311337 573358695 /nfs/dbraw/zinc/35/86/95/573358695.db2.gz DMYIPTPLMJMNQK-HTQZYQBOSA-N 1 3 144.262 0.792 10 0 ACAEHO C[C@H]1CN([C@H]2CCC[NH2+]2)CCCN1C 258301365 573358705 /nfs/dbraw/zinc/35/87/05/573358705.db2.gz WJRDITOQYGKQQU-QWRGUYRKSA-N 1 3 197.326 0.722 10 0 ACAEHO CC(C)(N)C[N@@H+]1CCC[C@@H]1CO 107123994 573358067 /nfs/dbraw/zinc/35/80/67/573358067.db2.gz RMDUDTMUDMXAJK-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCC[NH2+]2)CCCN1C 258301361 573358112 /nfs/dbraw/zinc/35/81/12/573358112.db2.gz WJRDITOQYGKQQU-GHMZBOCLSA-N 1 3 197.326 0.722 10 0 ACAEHO C[C@@H]1CN([C@H]2CCC[NH2+]2)CCCN1C 258301363 573358402 /nfs/dbraw/zinc/35/84/02/573358402.db2.gz WJRDITOQYGKQQU-MNOVXSKESA-N 1 3 197.326 0.722 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N1CCCOCC1 86312417 573358404 /nfs/dbraw/zinc/35/84/04/573358404.db2.gz JDUXFUSUIZTPHH-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](CN)[C@@H](C)[NH+](C)C 86311349 573358521 /nfs/dbraw/zinc/35/85/21/573358521.db2.gz NWXSDMIIPUTCAK-RNFRBKRXSA-N 1 3 130.235 0.531 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N(C)C 86311349 573358525 /nfs/dbraw/zinc/35/85/25/573358525.db2.gz NWXSDMIIPUTCAK-RNFRBKRXSA-N 1 3 130.235 0.531 10 0 ACAEHO C[NH2+]C[C@H](C)[C@H](C)N(C)C 86311338 573360707 /nfs/dbraw/zinc/36/07/07/573360707.db2.gz DMYIPTPLMJMNQK-YUMQZZPRSA-N 1 3 144.262 0.792 10 0 ACAEHO CC(C)(N)C[N@@H+]1CCC[C@H]1CO 107123998 573360720 /nfs/dbraw/zinc/36/07/20/573360720.db2.gz RMDUDTMUDMXAJK-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO NCc1cc(C[C@@H]2CCC[NH2+]C2)n[nH]1 259425951 573359849 /nfs/dbraw/zinc/35/98/49/573359849.db2.gz YUEJJKJSGZUBPN-QMMMGPOBSA-N 1 3 194.282 0.411 10 0 ACAEHO NCc1cc(C[C@@H]2CCC[NH2+]C2)[nH]n1 259425951 573359856 /nfs/dbraw/zinc/35/98/56/573359856.db2.gz YUEJJKJSGZUBPN-QMMMGPOBSA-N 1 3 194.282 0.411 10 0 ACAEHO CC(C)(N)C[N@H+]1CCC[C@H]1CO 107123998 573360725 /nfs/dbraw/zinc/36/07/25/573360725.db2.gz RMDUDTMUDMXAJK-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@H+](C)[C@H](C)[C@@H](C)CN 86311511 573359968 /nfs/dbraw/zinc/35/99/68/573359968.db2.gz DMQYEUJYRHKGMT-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[N@@H+](C)[C@H](C)[C@@H](C)CN 86311511 573359971 /nfs/dbraw/zinc/35/99/71/573359971.db2.gz DMQYEUJYRHKGMT-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO CCN(C)[C@H](C)[C@@H](C)C[NH3+] 86311511 573359977 /nfs/dbraw/zinc/35/99/77/573359977.db2.gz DMQYEUJYRHKGMT-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@H](CC[NH3+])C(=O)[C@@H]1CCN(C)C1 259089854 573360128 /nfs/dbraw/zinc/36/01/28/573360128.db2.gz GDJBUTWVZQQQFS-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N1CCCOCC1 86312419 573360138 /nfs/dbraw/zinc/36/01/38/573360138.db2.gz JDUXFUSUIZTPHH-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]1C[C@@]1(C)[C@H](CN)[NH2+]CCN(C)C 714681196 573360201 /nfs/dbraw/zinc/36/02/01/573360201.db2.gz UJRIUHVKEWXIGZ-OUAUKWLOSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H]1C[C@@]1(C)[C@H](C[NH3+])NCCN(C)C 714681196 573360205 /nfs/dbraw/zinc/36/02/05/573360205.db2.gz UJRIUHVKEWXIGZ-OUAUKWLOSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H](CN)[C@H](C)[NH+](C)C 86311350 573360369 /nfs/dbraw/zinc/36/03/69/573360369.db2.gz NWXSDMIIPUTCAK-BQBZGAKWSA-N 1 3 130.235 0.531 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](C)N(C)C 86311350 573360374 /nfs/dbraw/zinc/36/03/74/573360374.db2.gz NWXSDMIIPUTCAK-BQBZGAKWSA-N 1 3 130.235 0.531 10 0 ACAEHO C[C@H]([NH3+])CCCN1CCOC[C@@H]1C 223267194 573360576 /nfs/dbraw/zinc/36/05/76/573360576.db2.gz CEZWVWDDJOJNLC-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](C)N1CCCOCC1 86312416 573360642 /nfs/dbraw/zinc/36/06/42/573360642.db2.gz JDUXFUSUIZTPHH-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](C)N1CCN(C)CC1 86311124 573363033 /nfs/dbraw/zinc/36/30/33/573363033.db2.gz YHSJSDCDKUYKGQ-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N1CCN(C)CC1 86311125 573362738 /nfs/dbraw/zinc/36/27/38/573362738.db2.gz YHSJSDCDKUYKGQ-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO [NH3+][C@H]1COC[C@@H]1CNCCC(F)F 308369853 573362448 /nfs/dbraw/zinc/36/24/48/573362448.db2.gz KCRDUTCOOLOSAN-BQBZGAKWSA-N 1 3 194.225 0.205 10 0 ACAEHO C[C@H](O)C[C@@H](C)N[C@H](C)C1C[NH2+]C1 686243002 573362606 /nfs/dbraw/zinc/36/26/06/573362606.db2.gz JDMQTUIEHRHZBB-HRDYMLBCSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H](O)C[C@@H](C)[NH2+][C@H](C)C1CNC1 686243002 573362610 /nfs/dbraw/zinc/36/26/10/573362610.db2.gz JDMQTUIEHRHZBB-HRDYMLBCSA-N 1 3 186.299 0.343 10 0 ACAEHO CSCC[C@@H]1[C@@H](N)CC[N@@H+]1C 238361612 573362756 /nfs/dbraw/zinc/36/27/56/573362756.db2.gz ZEJSXXUGJFTEME-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[C@@H]1[C@@H](N)CC[N@H+]1C 238361612 573362761 /nfs/dbraw/zinc/36/27/61/573362761.db2.gz ZEJSXXUGJFTEME-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](C)N1CCCOCC1 86312418 573362883 /nfs/dbraw/zinc/36/28/83/573362883.db2.gz JDUXFUSUIZTPHH-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[NH2+]C[C@H](O)CN1C[C@H]2CCC[C@@H]2C1 126130709 573363858 /nfs/dbraw/zinc/36/38/58/573363858.db2.gz BZSWSFHZPOJULW-MXWKQRLJSA-N 1 3 198.310 0.299 10 0 ACAEHO [NH3+][C@@H]1COC[C@@H]1CNCCC(F)F 308369857 573365327 /nfs/dbraw/zinc/36/53/27/573365327.db2.gz KCRDUTCOOLOSAN-NKWVEPMBSA-N 1 3 194.225 0.205 10 0 ACAEHO CC(C)[NH2+]Cc1cnc(N)n1C 258312751 573365000 /nfs/dbraw/zinc/36/50/00/573365000.db2.gz VVYAUHNXZSMHPD-UHFFFAOYSA-N 1 3 168.244 0.500 10 0 ACAEHO CC(C)NCc1c[nH+]c(N)n1C 258312751 573365005 /nfs/dbraw/zinc/36/50/05/573365005.db2.gz VVYAUHNXZSMHPD-UHFFFAOYSA-N 1 3 168.244 0.500 10 0 ACAEHO C[NH2+]C[C@H](O)CN1C[C@H]2CCC[C@H]2C1 126130281 573367072 /nfs/dbraw/zinc/36/70/72/573367072.db2.gz BZSWSFHZPOJULW-AXFHLTTASA-N 1 3 198.310 0.299 10 0 ACAEHO CN(C)C[C@H](C[NH3+])C1CCOCC1 258316904 573367252 /nfs/dbraw/zinc/36/72/52/573367252.db2.gz XNZYBAGZJTYQKL-JTQLQIEISA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H](O)[C@@H](C[NH3+])C1CCN(C)CC1 107132178 573367535 /nfs/dbraw/zinc/36/75/35/573367535.db2.gz RTWCVBRRLCWWDZ-PSASIEDQSA-N 1 3 186.299 0.284 10 0 ACAEHO CC[NH2+]C[C@@H](C)N(C)[C@@H]1CCN(C)C1 308564370 573367615 /nfs/dbraw/zinc/36/76/15/573367615.db2.gz HCDMWHDPZMANOE-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H](O)[C@H](C[NH3+])C1CCN(C)CC1 107132183 573367930 /nfs/dbraw/zinc/36/79/30/573367930.db2.gz RTWCVBRRLCWWDZ-SCZZXKLOSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](O)[C@@H](C[NH3+])C1CCN(C)CC1 107132175 573367950 /nfs/dbraw/zinc/36/79/50/573367950.db2.gz RTWCVBRRLCWWDZ-WCBMZHEXSA-N 1 3 186.299 0.284 10 0 ACAEHO NCC(C[NH3+])c1ccc(Cl)o1 258324021 573373079 /nfs/dbraw/zinc/37/30/79/573373079.db2.gz YBQNJERZYAJUCU-UHFFFAOYSA-N 1 3 174.631 0.934 10 0 ACAEHO C[C@H]1CN(C)CCN1CC1(C[NH3+])CC1 235576532 573372058 /nfs/dbraw/zinc/37/20/58/573372058.db2.gz CWBASGAHUFCWGX-JTQLQIEISA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCC[C@H]1c1cnc(CC[NH3+])[nH]1 258015064 573372248 /nfs/dbraw/zinc/37/22/48/573372248.db2.gz HOAMYKJBMVIMOY-VIFPVBQESA-N 1 3 194.282 0.678 10 0 ACAEHO C1CC[C@@H](N2CCC[NH2+]CC2)NC1 258334282 573372364 /nfs/dbraw/zinc/37/23/64/573372364.db2.gz YLCVXXNFKHEMLE-SNVBAGLBSA-N 1 3 183.299 0.381 10 0 ACAEHO COc1c(C)ncc(C[NH3+])c1CN 238370992 573372436 /nfs/dbraw/zinc/37/24/36/573372436.db2.gz ZZLLHGHEJCYYDA-UHFFFAOYSA-N 1 3 181.239 0.316 10 0 ACAEHO CN1CCC[C@@H]1c1cnc(CC[NH3+])[nH]1 258015062 573372900 /nfs/dbraw/zinc/37/29/00/573372900.db2.gz HOAMYKJBMVIMOY-SECBINFHSA-N 1 3 194.282 0.678 10 0 ACAEHO CC(C)[C@@H]([NH3+])C[C@@H]1CNCCO1 259431149 573374667 /nfs/dbraw/zinc/37/46/67/573374667.db2.gz NDMPEBFKRZEPIJ-BDAKNGLRSA-N 1 3 172.272 0.348 10 0 ACAEHO CC(C)[C@H]([NH3+])C[C@H]1CNCCO1 259431152 573375258 /nfs/dbraw/zinc/37/52/58/573375258.db2.gz NDMPEBFKRZEPIJ-DTWKUNHWSA-N 1 3 172.272 0.348 10 0 ACAEHO CSC[C@H]([NH3+])[C@@H]1CCN(C)C1 258331451 573376057 /nfs/dbraw/zinc/37/60/57/573376057.db2.gz YOUGXHHTPIRTKB-SFYZADRCSA-N 1 3 174.313 0.628 10 0 ACAEHO COCC[C@@H](C[NH3+])CN(C)C 258329446 573376647 /nfs/dbraw/zinc/37/66/47/573376647.db2.gz YLPJETAYRFCUIR-QMMMGPOBSA-N 1 3 160.261 0.159 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H](C)Cn1ccnc1 308565359 573376739 /nfs/dbraw/zinc/37/67/39/573376739.db2.gz ZZMBESNOPXFZID-UTLUCORTSA-N 1 3 196.298 0.597 10 0 ACAEHO COCC[C@H](C[NH3+])CN(C)C 258329443 573376895 /nfs/dbraw/zinc/37/68/95/573376895.db2.gz YLPJETAYRFCUIR-MRVPVSSYSA-N 1 3 160.261 0.159 10 0 ACAEHO CC(C)[C@H]([NH3+])C[C@@H]1CNCCO1 259431160 573376969 /nfs/dbraw/zinc/37/69/69/573376969.db2.gz NDMPEBFKRZEPIJ-RKDXNWHRSA-N 1 3 172.272 0.348 10 0 ACAEHO CC[C@@]1(C)[C@H]([NH3+])CCN1C 107156952 573377127 /nfs/dbraw/zinc/37/71/27/573377127.db2.gz UWDJOXHAWVGLEE-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CCNC(=[NH2+])N1C[C@@H](N(C)C)[C@H](C)C1 124232585 573377151 /nfs/dbraw/zinc/37/71/51/573377151.db2.gz YNHBVFFTMUZSAT-RKDXNWHRSA-N 1 3 198.314 0.413 10 0 ACAEHO C[C@H](N[C@H](C)Cn1ccnc1)[C@@H](C)[NH3+] 308565356 573377200 /nfs/dbraw/zinc/37/72/00/573377200.db2.gz ZZMBESNOPXFZID-BBBLOLIVSA-N 1 3 196.298 0.597 10 0 ACAEHO CSC[C@@H]([NH3+])[C@H]1CCN(C)C1 258331450 573377362 /nfs/dbraw/zinc/37/73/62/573377362.db2.gz YOUGXHHTPIRTKB-JGVFFNPUSA-N 1 3 174.313 0.628 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCO[C@@H]2C2CC2)C1 236195348 573377364 /nfs/dbraw/zinc/37/73/64/573377364.db2.gz XUFVMAWNRVNEHO-JPPWEJMLSA-N 1 3 196.294 0.633 10 0 ACAEHO COC[NH2+]CCCN(C)C 258640639 573377880 /nfs/dbraw/zinc/37/78/80/573377880.db2.gz LUDRTJJDJCQVJU-UHFFFAOYSA-N 1 3 146.234 0.132 10 0 ACAEHO CC[C@@H](C[NH2+]CC(C)(C)CN)OC 308376262 573377459 /nfs/dbraw/zinc/37/74/59/573377459.db2.gz NRPLCCYBAYHESZ-VIFPVBQESA-N 1 3 188.315 0.986 10 0 ACAEHO CSC[C@H]([NH3+])[C@H]1CCN(C)C1 258331453 573377520 /nfs/dbraw/zinc/37/75/20/573377520.db2.gz YOUGXHHTPIRTKB-YUMQZZPRSA-N 1 3 174.313 0.628 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCO[C@@H]2C2CC2)C1 236195622 573377539 /nfs/dbraw/zinc/37/75/39/573377539.db2.gz XUFVMAWNRVNEHO-WFBLGPOFSA-N 1 3 196.294 0.633 10 0 ACAEHO CN(C[C@H](O)C1CC1)[C@@H]1CC[C@H]([NH3+])C1 690177942 573377656 /nfs/dbraw/zinc/37/76/56/573377656.db2.gz JXFLWMIDYHWFMM-AXFHLTTASA-N 1 3 198.310 0.569 10 0 ACAEHO CC[C@@H](N)C1([NH3+])CC1 259431082 573377754 /nfs/dbraw/zinc/37/77/54/573377754.db2.gz NDBHUQKMOOHHTN-RXMQYKEDSA-N 1 3 114.192 0.215 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@]1(O)C1CCN(C)CC1 107141822 573378022 /nfs/dbraw/zinc/37/80/22/573378022.db2.gz JANRMTIWJRVYHT-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO OC[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 107141682 573378149 /nfs/dbraw/zinc/37/81/49/573378149.db2.gz QOTGGYSLIPXNMJ-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@@]1(C)C1CC1 107158236 573384880 /nfs/dbraw/zinc/38/48/80/573384880.db2.gz PDFCEXAWTWWPQH-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@]1(C)[C@H]([NH3+])CCN1C 107156948 573380561 /nfs/dbraw/zinc/38/05/61/573380561.db2.gz UWDJOXHAWVGLEE-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO NC[C@@H](CCO)C[NH+]1CCCC1 258333295 573381404 /nfs/dbraw/zinc/38/14/04/573381404.db2.gz YSMVODHWSJLNEQ-SECBINFHSA-N 1 3 172.272 0.040 10 0 ACAEHO C[NH2+]CC[C@H](N)C1CCC1 259431707 573384655 /nfs/dbraw/zinc/38/46/55/573384655.db2.gz PNIWNFKKMZXXBJ-QMMMGPOBSA-N 1 3 142.246 0.723 10 0 ACAEHO CNCC[C@H]([NH3+])C1CCC1 259431707 573384664 /nfs/dbraw/zinc/38/46/64/573384664.db2.gz PNIWNFKKMZXXBJ-QMMMGPOBSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@]1([NH3+])CCCNC1 117991448 573384737 /nfs/dbraw/zinc/38/47/37/573384737.db2.gz ZVBYGKLATVZWEO-LURJTMIESA-N 1 3 114.192 0.087 10 0 ACAEHO CN1CC[C@@H]([NH3+])[C@]1(C)C1CC1 107158233 573384913 /nfs/dbraw/zinc/38/49/13/573384913.db2.gz PDFCEXAWTWWPQH-BDAKNGLRSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@]1(C)C1CC1 107158238 573384927 /nfs/dbraw/zinc/38/49/27/573384927.db2.gz PDFCEXAWTWWPQH-IUCAKERBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[N@@H+]1CCC[C@H](C[C@H]2NCCO2)C1 258019873 573386691 /nfs/dbraw/zinc/38/66/91/573386691.db2.gz BXDDDUGKHSNBIA-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CCC[C@H](C[C@H]2NCCO2)C1 258019873 573386694 /nfs/dbraw/zinc/38/66/94/573386694.db2.gz BXDDDUGKHSNBIA-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H]([NH2+]C[C@]1(C)CCOC1)C1CNC1 686253599 573386925 /nfs/dbraw/zinc/38/69/25/573386925.db2.gz LMKQZAVPVZKUHF-ONGXEEELSA-N 1 3 198.310 0.611 10 0 ACAEHO C[NH2+]C/C=C/CN(C)C 78217016 573387143 /nfs/dbraw/zinc/38/71/43/573387143.db2.gz DISRZRNVQHCJIW-SNAWJCMRSA-N 1 3 128.219 0.324 10 0 ACAEHO C[C@@H]1C[C@@H]1CN(C)C[C@@](C)(O)C[NH3+] 223281590 573387732 /nfs/dbraw/zinc/38/77/32/573387732.db2.gz GFCLDFQBEXSNRV-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1OCC[C@@H]1N(C)CCC[NH3+] 133276990 573388037 /nfs/dbraw/zinc/38/80/37/573388037.db2.gz BKGHRSVCWCTADF-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H]([NH2+]C[C@]1(C)CCOC1)C1CNC1 686253595 573388266 /nfs/dbraw/zinc/38/82/66/573388266.db2.gz LMKQZAVPVZKUHF-KOLCDFICSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@H]1OCC[C@H]1N(C)CCC[NH3+] 133276576 573389528 /nfs/dbraw/zinc/38/95/28/573389528.db2.gz BKGHRSVCWCTADF-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H]1C[NH2+]CCN1[C@@H]1CCCN(C)C1 83086788 573389658 /nfs/dbraw/zinc/38/96/58/573389658.db2.gz CAVSQCPGBKHEJR-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCN(C)C2)CC[NH2+]1 83061861 573389698 /nfs/dbraw/zinc/38/96/98/573389698.db2.gz GPKHGKAUWUCWLI-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1CN([C@@H]2CCCN(C)C2)CC[NH2+]1 83061862 573391133 /nfs/dbraw/zinc/39/11/33/573391133.db2.gz GPKHGKAUWUCWLI-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1C[NH2+]CCN1[C@@H]1CCCN(C)C1 83086789 573391609 /nfs/dbraw/zinc/39/16/09/573391609.db2.gz CAVSQCPGBKHEJR-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+]CCC1(CO)CCN(C)CC1 215187717 573391977 /nfs/dbraw/zinc/39/19/77/573391977.db2.gz NINNNJMWDXKLJW-UHFFFAOYSA-N 1 3 186.299 0.300 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 690183546 573393000 /nfs/dbraw/zinc/39/30/00/573393000.db2.gz ZFUNOXGTTYQMJS-XKSSXDPKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+](C)C[C@H](O)C1CC1 690183546 573393004 /nfs/dbraw/zinc/39/30/04/573393004.db2.gz ZFUNOXGTTYQMJS-XKSSXDPKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1C[C@@H](C)[C@@H](N(C)C)C1 124255835 573393087 /nfs/dbraw/zinc/39/30/87/573393087.db2.gz PFXTUJULTPPJRA-VGMNWLOBSA-N 1 3 198.314 0.193 10 0 ACAEHO CN(CCC[NH3+])C(C)(C)CO 133333107 573393191 /nfs/dbraw/zinc/39/31/91/573393191.db2.gz RBXNYXRMKOVUMP-UHFFFAOYSA-N 1 3 160.261 0.038 10 0 ACAEHO C[NH2+]CCCN[C@H]1CCC[C@H]1OC 50375701 573393261 /nfs/dbraw/zinc/39/32/61/573393261.db2.gz JSZMKIAOFTUGPJ-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@H]1CCC[C@H]1OC 50375701 573393266 /nfs/dbraw/zinc/39/32/66/573393266.db2.gz JSZMKIAOFTUGPJ-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO C[NH2+][C@H](C)[C@@H](C)N(C)[C@@H]1CCN(C)C1 308570632 573393278 /nfs/dbraw/zinc/39/32/78/573393278.db2.gz KCDMBQLMOYRETJ-GMTAPVOTSA-N 1 3 199.342 0.619 10 0 ACAEHO C[C@H]1CN(C)CCN1C[C@@H](C)C(N)=[NH2+] 235587410 573393340 /nfs/dbraw/zinc/39/33/40/573393340.db2.gz WGDXZIQFADKMMN-BDAKNGLRSA-N 1 3 198.314 0.194 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN(C)[C@@H]1CCN(C)C1 308570136 573394621 /nfs/dbraw/zinc/39/46/21/573394621.db2.gz JTDBWPYMQWVEQN-OUAUKWLOSA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)CCCN1 83093367 573394884 /nfs/dbraw/zinc/39/48/84/573394884.db2.gz GAGZSEZXBHCMRZ-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)C[C@@H](O)C1CC1 690183543 573394886 /nfs/dbraw/zinc/39/48/86/573394886.db2.gz ZFUNOXGTTYQMJS-OYNCUSHFSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)C[C@@H](O)C1CC1 690183543 573394888 /nfs/dbraw/zinc/39/48/88/573394888.db2.gz ZFUNOXGTTYQMJS-OYNCUSHFSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCCOC2)CCCN1 83093367 573394891 /nfs/dbraw/zinc/39/48/91/573394891.db2.gz GAGZSEZXBHCMRZ-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+]CCCN[C@@H]1CCC[C@@H]1OC 50375698 573395013 /nfs/dbraw/zinc/39/50/13/573395013.db2.gz JSZMKIAOFTUGPJ-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@@H]1CCC[C@@H]1OC 50375698 573395016 /nfs/dbraw/zinc/39/50/16/573395016.db2.gz JSZMKIAOFTUGPJ-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO COC[C@@H]1C[C@H]([C@@H]2CCC[NH2+]2)CN1 258340699 573401039 /nfs/dbraw/zinc/40/10/39/573401039.db2.gz XRYJLAWCHOGWOZ-GUBZILKMSA-N 1 3 184.283 0.363 10 0 ACAEHO CN1CC[C@@H]([C@](C)([NH3+])CCCO)C1 259095217 573401059 /nfs/dbraw/zinc/40/10/59/573401059.db2.gz CBJQJGLDDSIIFG-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO COC[C@@H]1C[C@@H]([C@@H]2CCC[NH2+]2)CN1 258340710 573400982 /nfs/dbraw/zinc/40/09/82/573400982.db2.gz XRYJLAWCHOGWOZ-UTLUCORTSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 86400288 573403236 /nfs/dbraw/zinc/40/32/36/573403236.db2.gz LDWKNGZNKGFKRF-XAVMHZPKSA-N 1 3 154.257 0.864 10 0 ACAEHO CC(C)[NH2+][C@H]1CC[C@@H](N)C1 86396888 573404815 /nfs/dbraw/zinc/40/48/15/573404815.db2.gz NNOJHQLOXDZFHF-SFYZADRCSA-N 1 3 142.246 0.864 10 0 ACAEHO COC[C@@H]1C[C@H]([C@H]2CCC[NH2+]2)CN1 258340706 573400832 /nfs/dbraw/zinc/40/08/32/573400832.db2.gz XRYJLAWCHOGWOZ-LPEHRKFASA-N 1 3 184.283 0.363 10 0 ACAEHO CN1CCC(CO)(C[NH2+]C2CC2)CC1 215190312 573400948 /nfs/dbraw/zinc/40/09/48/573400948.db2.gz ULQAMCJEYGOUNL-UHFFFAOYSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](CN[C@@H]1CCN(C)C1)C[NH+](C)C 308576222 573403375 /nfs/dbraw/zinc/40/33/75/573403375.db2.gz MTXQMZJJSWVKLC-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO OC[C@H]1C[C@H](N2CCCCC2)CC[NH2+]1 215190199 573401849 /nfs/dbraw/zinc/40/18/49/573401849.db2.gz FFMHVBHEIYOKKL-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238387345 573402059 /nfs/dbraw/zinc/40/20/59/573402059.db2.gz SSYKFVMMELQRAZ-DOLQZWNJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238387345 573402064 /nfs/dbraw/zinc/40/20/64/573402064.db2.gz SSYKFVMMELQRAZ-DOLQZWNJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238387345 573402069 /nfs/dbraw/zinc/40/20/69/573402069.db2.gz SSYKFVMMELQRAZ-DOLQZWNJSA-N 1 3 184.283 0.321 10 0 ACAEHO [NH3+]C1CC(CNCc2ccccn2)C1 258644164 573402088 /nfs/dbraw/zinc/40/20/88/573402088.db2.gz FJCVNNMITOAZSX-UHFFFAOYSA-N 1 3 191.278 0.909 10 0 ACAEHO COC[C@@H]1C[C@@H]([C@H]2CCC[NH2+]2)CN1 258340704 573402155 /nfs/dbraw/zinc/40/21/55/573402155.db2.gz XRYJLAWCHOGWOZ-KXUCPTDWSA-N 1 3 184.283 0.363 10 0 ACAEHO OC[C@@H]1C[C@H](N2CCCCC2)CC[NH2+]1 215190099 573402236 /nfs/dbraw/zinc/40/22/36/573402236.db2.gz FFMHVBHEIYOKKL-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO [NH3+][C@H]1CC[C@](F)(CNC2CC2)C1 257810471 573402300 /nfs/dbraw/zinc/40/23/00/573402300.db2.gz ALACPNXUHBKHJT-IONNQARKSA-N 1 3 172.247 0.958 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H](N)C1 86400288 573403231 /nfs/dbraw/zinc/40/32/31/573403231.db2.gz LDWKNGZNKGFKRF-XAVMHZPKSA-N 1 3 154.257 0.864 10 0 ACAEHO CN1CCC[C@H](C(=O)CCC[NH3+])C1 259095991 573403245 /nfs/dbraw/zinc/40/32/45/573403245.db2.gz GTWJEITXEZREEL-VIFPVBQESA-N 1 3 184.283 0.636 10 0 ACAEHO C[NH2+]C/C=C1\CCCN(C)C1 259440053 573403292 /nfs/dbraw/zinc/40/32/92/573403292.db2.gz USGCAAIQOBZSGT-WEVVVXLNSA-N 1 3 154.257 0.858 10 0 ACAEHO C[C@H](C[NH2+][C@@H]1CCN(C)C1)CN(C)C 308576222 573403371 /nfs/dbraw/zinc/40/33/71/573403371.db2.gz MTXQMZJJSWVKLC-GHMZBOCLSA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H](CN(C)C)C1([NH3+])CC1 259439852 573403784 /nfs/dbraw/zinc/40/37/84/573403784.db2.gz UOWKJVRRWRTLRW-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)[NH2+][C@H]1CC[C@H](N)C1 86396884 573403842 /nfs/dbraw/zinc/40/38/42/573403842.db2.gz NNOJHQLOXDZFHF-YUMQZZPRSA-N 1 3 142.246 0.864 10 0 ACAEHO N[C@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1 86397281 573403866 /nfs/dbraw/zinc/40/38/66/573403866.db2.gz UMQYIPMZROJELC-QPBDYMMBSA-N 1 3 198.310 0.759 10 0 ACAEHO [NH3+][C@@H]1CC[C@@](F)(CNC2CC2)C1 257810469 573403882 /nfs/dbraw/zinc/40/38/82/573403882.db2.gz ALACPNXUHBKHJT-APPZFPTMSA-N 1 3 172.247 0.958 10 0 ACAEHO CSCCN[C@@H]1CC[C@@H]([NH3+])C1 86400715 573403930 /nfs/dbraw/zinc/40/39/30/573403930.db2.gz ZLXYPYKCESQCND-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238387330 573403942 /nfs/dbraw/zinc/40/39/42/573403942.db2.gz SSYKFVMMELQRAZ-KYXWUPHJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238387330 573403949 /nfs/dbraw/zinc/40/39/49/573403949.db2.gz SSYKFVMMELQRAZ-KYXWUPHJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238387330 573403954 /nfs/dbraw/zinc/40/39/54/573403954.db2.gz SSYKFVMMELQRAZ-KYXWUPHJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N)C1 86396759 573403991 /nfs/dbraw/zinc/40/39/91/573403991.db2.gz UVRACRXTNOLTMJ-PHDIDXHHSA-N 1 3 114.192 0.086 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1 86400619 573404564 /nfs/dbraw/zinc/40/45/64/573404564.db2.gz LEBHDKZPPCWXDM-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)C1 86400621 573404595 /nfs/dbraw/zinc/40/45/95/573404595.db2.gz LEBHDKZPPCWXDM-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NC2CC2)C1 86396729 573404651 /nfs/dbraw/zinc/40/46/51/573404651.db2.gz BBGQFLHPBZPIKK-HTRCEHHLSA-N 1 3 140.230 0.618 10 0 ACAEHO CC[NH2+][C@@H]1CC[C@H](N)C1 86396794 573404702 /nfs/dbraw/zinc/40/47/02/573404702.db2.gz YNVIVCHPDZQKDO-NKWVEPMBSA-N 1 3 128.219 0.476 10 0 ACAEHO CSCCN[C@H]1CC[C@H]([NH3+])C1 86400713 573405493 /nfs/dbraw/zinc/40/54/93/573405493.db2.gz ZLXYPYKCESQCND-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO CN1CCC[C@@H](C(=O)CCC[NH3+])C1 259095989 573405428 /nfs/dbraw/zinc/40/54/28/573405428.db2.gz GTWJEITXEZREEL-SECBINFHSA-N 1 3 184.283 0.636 10 0 ACAEHO CCC[NH2+][C@@H]1CC[C@H](N)C1 86396768 573405449 /nfs/dbraw/zinc/40/54/49/573405449.db2.gz ILOGLNKKMWKLDK-JGVFFNPUSA-N 1 3 142.246 0.866 10 0 ACAEHO N[C@H]1CC[C@@H]([NH2+]CC2CCOCC2)C1 86400622 573406018 /nfs/dbraw/zinc/40/60/18/573406018.db2.gz LEBHDKZPPCWXDM-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO CN(C/C=C/C[NH3+])[C@@H]1CCOC1 133519109 573407737 /nfs/dbraw/zinc/40/77/37/573407737.db2.gz ZSJGSIDLJOGVOL-GKQMSVHHSA-N 1 3 170.256 0.222 10 0 ACAEHO C[C@H](CN[C@H]1CCN(C)C1)C[NH+](C)C 308576223 573407546 /nfs/dbraw/zinc/40/75/46/573407546.db2.gz MTXQMZJJSWVKLC-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N(C)C(C)(C)CO 133486957 573407103 /nfs/dbraw/zinc/40/71/03/573407103.db2.gz KNZPJTFOVDYKPJ-ZETCQYMHSA-N 1 3 187.287 0.404 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NC2CC2)C1 86396730 573407216 /nfs/dbraw/zinc/40/72/16/573407216.db2.gz BBGQFLHPBZPIKK-SVRRBLITSA-N 1 3 140.230 0.618 10 0 ACAEHO CCC[NH2+][C@H]1CC[C@H](N)C1 86396769 573407285 /nfs/dbraw/zinc/40/72/85/573407285.db2.gz ILOGLNKKMWKLDK-YUMQZZPRSA-N 1 3 142.246 0.866 10 0 ACAEHO N[C@H]1CC[C@H]([NH2+]C2CCOCC2)C1 86398578 573407335 /nfs/dbraw/zinc/40/73/35/573407335.db2.gz QACUDBMICMLIPR-WPRPVWTQSA-N 1 3 184.283 0.635 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]CC2CCOCC2)C1 86400617 573407372 /nfs/dbraw/zinc/40/73/72/573407372.db2.gz LEBHDKZPPCWXDM-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]([NH3+])c1ccc(CN)n1C 258646796 573407503 /nfs/dbraw/zinc/40/75/03/573407503.db2.gz ZERPLINSVIOQAE-LURJTMIESA-N 1 3 153.229 0.504 10 0 ACAEHO C[C@H](C[NH2+][C@H]1CCN(C)C1)CN(C)C 308576223 573407542 /nfs/dbraw/zinc/40/75/42/573407542.db2.gz MTXQMZJJSWVKLC-MNOVXSKESA-N 1 3 199.342 0.478 10 0 ACAEHO CCN(CC[C@@H](C)O)C[C@@H](C)C[NH3+] 133504664 573407563 /nfs/dbraw/zinc/40/75/63/573407563.db2.gz VCRQORNNQKPVBT-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@H+](CC[C@@H](C)O)C[C@@H](C)CN 133504664 573407568 /nfs/dbraw/zinc/40/75/68/573407568.db2.gz VCRQORNNQKPVBT-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CC[N@@H+](CC[C@@H](C)O)C[C@@H](C)CN 133504664 573407574 /nfs/dbraw/zinc/40/75/74/573407574.db2.gz VCRQORNNQKPVBT-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO [NH3+][C@H](CCO)CN1C[C@H]2CCC[C@@H]2C1 126181167 573407636 /nfs/dbraw/zinc/40/76/36/573407636.db2.gz CXKCAIWXLZBUEJ-GMTAPVOTSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@@H]2COCCN2)C1 259097774 573407782 /nfs/dbraw/zinc/40/77/82/573407782.db2.gz JTJBGTKERIGXME-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@@H]2COCCN2)C1 259097774 573407787 /nfs/dbraw/zinc/40/77/87/573407787.db2.gz JTJBGTKERIGXME-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H](CN1CCC1)C1([NH3+])CC1 259442669 573411262 /nfs/dbraw/zinc/41/12/62/573411262.db2.gz UTRJDQXKWHBTSO-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC[NH2+][C@@H]1CC[C@@H](N)C1 86396797 573408164 /nfs/dbraw/zinc/40/81/64/573408164.db2.gz YNVIVCHPDZQKDO-RNFRBKRXSA-N 1 3 128.219 0.476 10 0 ACAEHO N[C@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 86398580 573408303 /nfs/dbraw/zinc/40/83/03/573408303.db2.gz QACUDBMICMLIPR-WCBMZHEXSA-N 1 3 184.283 0.635 10 0 ACAEHO N[C@H]1CC[C@H]([NH2+]CC2CC2)C1 86396936 573408337 /nfs/dbraw/zinc/40/83/37/573408337.db2.gz OZKQIXWDBHUZIB-IUCAKERBSA-N 1 3 154.257 0.866 10 0 ACAEHO COCCN[C@H]1CC[C@@H]([NH3+])C1 86396894 573408391 /nfs/dbraw/zinc/40/83/91/573408391.db2.gz ZVSPPRJNEWQHRX-SFYZADRCSA-N 1 3 158.245 0.102 10 0 ACAEHO CSCCN[C@H]1CC[C@@H]([NH3+])C1 86400717 573408426 /nfs/dbraw/zinc/40/84/26/573408426.db2.gz ZLXYPYKCESQCND-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO CN(C)C1CN(C2CCC([NH3+])CC2)C1 107188178 573408709 /nfs/dbraw/zinc/40/87/09/573408709.db2.gz ISVUGBSWEOUISP-UHFFFAOYSA-N 1 3 197.326 0.502 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@H]2COCCN2)C1 259097781 573408760 /nfs/dbraw/zinc/40/87/60/573408760.db2.gz JTJBGTKERIGXME-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@H]2COCCN2)C1 259097781 573408765 /nfs/dbraw/zinc/40/87/65/573408765.db2.gz JTJBGTKERIGXME-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[NH2+][C@@H](OC)C1CCN(C)CC1 259440445 573408820 /nfs/dbraw/zinc/40/88/20/573408820.db2.gz ZSQOIPVPNVQXLM-VIFPVBQESA-N 1 3 172.272 0.520 10 0 ACAEHO CC[N@H+](C[C@@H](C)O)CC(C)(C)N 308384924 573408859 /nfs/dbraw/zinc/40/88/59/573408859.db2.gz SZDXYPAIYBYQAJ-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[N@@H+](C[C@@H](C)O)CC(C)(C)N 308384924 573408867 /nfs/dbraw/zinc/40/88/67/573408867.db2.gz SZDXYPAIYBYQAJ-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO [NH3+][C@H](CCO)CN1C[C@@H]2CCC[C@H]2C1 126180967 573410009 /nfs/dbraw/zinc/41/00/09/573410009.db2.gz CXKCAIWXLZBUEJ-GARJFASQSA-N 1 3 198.310 0.428 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](NC2CC(O)C2)C1 86404766 573409710 /nfs/dbraw/zinc/40/97/10/573409710.db2.gz UYAQQPOKRUMMPR-AFWXGSBKSA-N 1 3 184.283 0.369 10 0 ACAEHO N[C@H]1CC[C@@H]([NH2+]CC2CC(O)C2)C1 86401304 573409792 /nfs/dbraw/zinc/40/97/92/573409792.db2.gz XVPGBOHKISMGIU-APTHBXDWSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](O)CCN1CCC[C@H](C[NH3+])C1 133516570 573409922 /nfs/dbraw/zinc/40/99/22/573409922.db2.gz SPZHDOSZNLXEMW-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CCC[C@H](CN)C1 133516570 573409927 /nfs/dbraw/zinc/40/99/27/573409927.db2.gz SPZHDOSZNLXEMW-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CC[N@H+]1CCC[C@H](CN)C1 133516570 573409932 /nfs/dbraw/zinc/40/99/32/573409932.db2.gz SPZHDOSZNLXEMW-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN(C)C(C)(C)CO)C(N)=[NH2+] 133487565 573411027 /nfs/dbraw/zinc/41/10/27/573411027.db2.gz ZFHZUSCRENMVCS-SSDOTTSWSA-N 1 3 187.287 0.261 10 0 ACAEHO CC[N@H+](C[C@H](C)O)CC(C)(C)N 308384927 573411616 /nfs/dbraw/zinc/41/16/16/573411616.db2.gz SZDXYPAIYBYQAJ-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO N[C@@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 86404775 573411078 /nfs/dbraw/zinc/41/10/78/573411078.db2.gz YSRZFMJJXVVGLN-WYNUPADASA-N 1 3 198.310 0.617 10 0 ACAEHO CC[N@@H+](C[C@H](C)O)CC(C)(C)N 308384927 573411622 /nfs/dbraw/zinc/41/16/22/573411622.db2.gz SZDXYPAIYBYQAJ-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO N[C@H]1CC[C@H]([NH2+]CC2CC(O)C2)C1 86401301 573411757 /nfs/dbraw/zinc/41/17/57/573411757.db2.gz XVPGBOHKISMGIU-ZNHWEVIXSA-N 1 3 184.283 0.227 10 0 ACAEHO CN(C)CCO[C@@H]1CC[C@H]([NH3+])C1 86406791 573411903 /nfs/dbraw/zinc/41/19/03/573411903.db2.gz QOMUUGZBBCKARJ-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@@H+]1C1CC1 107220040 573414499 /nfs/dbraw/zinc/41/44/99/573414499.db2.gz OBOHODNGQGVKRI-APPZFPTMSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@H+]1C1CC1 107220040 573414503 /nfs/dbraw/zinc/41/45/03/573414503.db2.gz OBOHODNGQGVKRI-APPZFPTMSA-N 1 3 154.257 0.960 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](NC2CC(O)C2)C1 86404767 573413146 /nfs/dbraw/zinc/41/31/46/573413146.db2.gz UYAQQPOKRUMMPR-LGUIWLBCSA-N 1 3 184.283 0.369 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)C[NH2+]1 83119308 573413179 /nfs/dbraw/zinc/41/31/79/573413179.db2.gz XPKIBNPEULOILJ-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO CN1CCC(O[C@H]2CCC[NH2+]C2)CC1 260291434 573413285 /nfs/dbraw/zinc/41/32/85/573413285.db2.gz YMOCRQRADQLJSU-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](NCc2cnc[nH]2)C1 86404717 573413454 /nfs/dbraw/zinc/41/34/54/573413454.db2.gz PZACIVMBYBRZHF-IUCAKERBSA-N 1 3 194.282 0.769 10 0 ACAEHO C[N@@H+]1C[C@H](CN)CC1(C)C 107218246 573414574 /nfs/dbraw/zinc/41/45/74/573414574.db2.gz IBBQRPYNTSTOKE-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO C[N@H+]1C[C@H](CN)CC1(C)C 107218246 573414577 /nfs/dbraw/zinc/41/45/77/573414577.db2.gz IBBQRPYNTSTOKE-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](NCc2cnc[nH]2)C1 86404721 573413533 /nfs/dbraw/zinc/41/35/33/573413533.db2.gz PZACIVMBYBRZHF-BDAKNGLRSA-N 1 3 194.282 0.769 10 0 ACAEHO N[C@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 86404777 573413679 /nfs/dbraw/zinc/41/36/79/573413679.db2.gz YSRZFMJJXVVGLN-SEQHWMEXSA-N 1 3 198.310 0.617 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C1CC1 107219980 573413898 /nfs/dbraw/zinc/41/38/98/573413898.db2.gz PRIMYXZHKJTJBX-HTQZYQBOSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C1CC1 107219980 573413902 /nfs/dbraw/zinc/41/39/02/573413902.db2.gz PRIMYXZHKJTJBX-HTQZYQBOSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@@H]2CNCC[C@@H]2C[N@@H+]1C 107219834 573414594 /nfs/dbraw/zinc/41/45/94/573414594.db2.gz CFNCUWCMYHOYJP-HLTSFMKQSA-N 1 3 154.257 0.546 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[NH2+]1 83119309 573413971 /nfs/dbraw/zinc/41/39/71/573413971.db2.gz XPKIBNPEULOILJ-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H]1[C@@H]2CNCC[C@@H]2C[N@H+]1C 107219834 573414599 /nfs/dbraw/zinc/41/45/99/573414599.db2.gz CFNCUWCMYHOYJP-HLTSFMKQSA-N 1 3 154.257 0.546 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](N2CCC(O)CC2)C1 86409715 573414223 /nfs/dbraw/zinc/41/42/23/573414223.db2.gz RZPUFNWSQRTCGL-UWVGGRQHSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H]1CC[C@H](CN)C[NH2+]1 83119306 573414281 /nfs/dbraw/zinc/41/42/81/573414281.db2.gz XPKIBNPEULOILJ-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N2CCC[C@H](O)C2)C1 86410456 573414347 /nfs/dbraw/zinc/41/43/47/573414347.db2.gz HCBYIFYGFBXXND-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@@H+]1C1CC1 107220043 573414372 /nfs/dbraw/zinc/41/43/72/573414372.db2.gz OBOHODNGQGVKRI-CBAPKCEASA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@H+]1C1CC1 107220043 573414377 /nfs/dbraw/zinc/41/43/77/573414377.db2.gz OBOHODNGQGVKRI-CBAPKCEASA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1C1CC1 107220034 573414459 /nfs/dbraw/zinc/41/44/59/573414459.db2.gz OBOHODNGQGVKRI-VXNVDRBHSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1C1CC1 107220034 573414465 /nfs/dbraw/zinc/41/44/65/573414465.db2.gz OBOHODNGQGVKRI-VXNVDRBHSA-N 1 3 154.257 0.960 10 0 ACAEHO COC1CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 86410204 573416112 /nfs/dbraw/zinc/41/61/12/573416112.db2.gz KFJCVTTXPPAJSX-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCC(CO)CC2)C1 86410042 573417258 /nfs/dbraw/zinc/41/72/58/573417258.db2.gz WOMBWGQVYOOCSE-GHMZBOCLSA-N 1 3 198.310 0.571 10 0 ACAEHO CN[C@@H]1CC[N@@H+](C(C)C)C[C@H]1CO 215197904 573415147 /nfs/dbraw/zinc/41/51/47/573415147.db2.gz QSXCMNPVUKUTHE-VHSXEESVSA-N 1 3 186.299 0.297 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](N2CCC(O)CC2)C1 86409711 573415149 /nfs/dbraw/zinc/41/51/49/573415149.db2.gz RZPUFNWSQRTCGL-VHSXEESVSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H](CN1CCC1)C1([NH3+])CC1 259442671 573415151 /nfs/dbraw/zinc/41/51/51/573415151.db2.gz UTRJDQXKWHBTSO-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CN[C@@H]1CC[N@H+](C(C)C)C[C@H]1CO 215197904 573415155 /nfs/dbraw/zinc/41/51/55/573415155.db2.gz QSXCMNPVUKUTHE-VHSXEESVSA-N 1 3 186.299 0.297 10 0 ACAEHO COC1CCN([C@H]2CC[C@H]([NH3+])C2)CC1 86410206 573415245 /nfs/dbraw/zinc/41/52/45/573415245.db2.gz KFJCVTTXPPAJSX-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO OC[C@@H]1CC[NH2+]CC[C@@H]1NC1CC1 215196133 573415292 /nfs/dbraw/zinc/41/52/92/573415292.db2.gz FERIAZADUZBTHW-WPRPVWTQSA-N 1 3 184.283 0.099 10 0 ACAEHO OC[C@@H]1CCNCC[C@@H]1[NH2+]C1CC1 215196133 573415296 /nfs/dbraw/zinc/41/52/96/573415296.db2.gz FERIAZADUZBTHW-WPRPVWTQSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1C1CC1 107219987 573415368 /nfs/dbraw/zinc/41/53/68/573415368.db2.gz PRIMYXZHKJTJBX-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@H+]1C1CC1 107219987 573415369 /nfs/dbraw/zinc/41/53/69/573415369.db2.gz PRIMYXZHKJTJBX-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1N(C)CC[C@]12CC[NH2+]C2 107219970 573415384 /nfs/dbraw/zinc/41/53/84/573415384.db2.gz ZENGSBMRHDBJGT-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCNCC[C@@H]1CO 215197416 573415391 /nfs/dbraw/zinc/41/53/91/573415391.db2.gz YZLVXCKWMHUWQK-NXEZZACHSA-N 1 3 186.299 0.345 10 0 ACAEHO Cc1noc([C@@H]2CCC[NH2+]C2)c1CN 257811257 573416122 /nfs/dbraw/zinc/41/61/22/573416122.db2.gz BAVOXSFWWASGOJ-MRVPVSSYSA-N 1 3 195.266 0.909 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CCC(CO)CC2)C1 86410048 573415524 /nfs/dbraw/zinc/41/55/24/573415524.db2.gz WOMBWGQVYOOCSE-QWRGUYRKSA-N 1 3 198.310 0.571 10 0 ACAEHO CC(C)N1C[C@H]([NH3+])C[C@H]1C 107218332 573415603 /nfs/dbraw/zinc/41/56/03/573415603.db2.gz AMGVNOXNXVHSJT-HTQZYQBOSA-N 1 3 142.246 0.816 10 0 ACAEHO Cc1noc([C@H]2CCC[NH2+]C2)c1CN 257811258 573415694 /nfs/dbraw/zinc/41/56/94/573415694.db2.gz BAVOXSFWWASGOJ-QMMMGPOBSA-N 1 3 195.266 0.909 10 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/nfs/dbraw/zinc/41/84/54/573418454.db2.gz FERIAZADUZBTHW-SCZZXKLOSA-N 1 3 184.283 0.099 10 0 ACAEHO COC1CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 86410210 573417220 /nfs/dbraw/zinc/41/72/20/573417220.db2.gz KFJCVTTXPPAJSX-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CCN1C 107219849 573417206 /nfs/dbraw/zinc/41/72/06/573417206.db2.gz DLQHMLOWAQGXFV-VGMNWLOBSA-N 1 3 154.257 0.546 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N2CCSCC2)C1 86409969 573418597 /nfs/dbraw/zinc/41/85/97/573418597.db2.gz NKFNXZVIINDRDI-DTWKUNHWSA-N 1 3 186.324 0.915 10 0 ACAEHO OC[C@@H]1CCNCC[C@H]1[NH2+]C1CC1 215196086 573418524 /nfs/dbraw/zinc/41/85/24/573418524.db2.gz FERIAZADUZBTHW-WCBMZHEXSA-N 1 3 184.283 0.099 10 0 ACAEHO CC(C)N1C[C@H]([NH3+])C[C@@H]1C 107218336 573418542 /nfs/dbraw/zinc/41/85/42/573418542.db2.gz AMGVNOXNXVHSJT-JGVFFNPUSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])C(C)(C)N1C 107218307 573418164 /nfs/dbraw/zinc/41/81/64/573418164.db2.gz VXPNEQUQTMKJIW-RQJHMYQMSA-N 1 3 142.246 0.816 10 0 ACAEHO CC[C@@H]1C[C@@H](CN)C[N@@H+]1C 107218236 573418197 /nfs/dbraw/zinc/41/81/97/573418197.db2.gz DIICJFRRETYWGD-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@@H]1C[C@@H](CN)C[N@H+]1C 107218236 573418201 /nfs/dbraw/zinc/41/82/01/573418201.db2.gz DIICJFRRETYWGD-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1C[C@]2(CC[NH2+]C2)CN1C 107219964 573418353 /nfs/dbraw/zinc/41/83/53/573418353.db2.gz ARQYEVXMGYOXJK-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CCN1C 107219858 573418437 /nfs/dbraw/zinc/41/84/37/573418437.db2.gz DLQHMLOWAQGXFV-HRDYMLBCSA-N 1 3 154.257 0.546 10 0 ACAEHO OC[C@H]1CC[NH2+]CC[C@@H]1NC1CC1 215196038 573418448 /nfs/dbraw/zinc/41/84/48/573418448.db2.gz FERIAZADUZBTHW-SCZZXKLOSA-N 1 3 184.283 0.099 10 0 ACAEHO OC[C@@H]1CC[NH2+]CC[C@H]1NC1CC1 215196086 573418520 /nfs/dbraw/zinc/41/85/20/573418520.db2.gz FERIAZADUZBTHW-WCBMZHEXSA-N 1 3 184.283 0.099 10 0 ACAEHO CC[C@H]1C[C@@H](CN)C[N@@H+]1C 107218239 573420056 /nfs/dbraw/zinc/42/00/56/573420056.db2.gz DIICJFRRETYWGD-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@H]1C[C@@H](CN)C[N@H+]1C 107218239 573420060 /nfs/dbraw/zinc/42/00/60/573420060.db2.gz DIICJFRRETYWGD-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCC(O)CC2)C1 86409722 573420142 /nfs/dbraw/zinc/42/01/42/573420142.db2.gz KNQCUMIOIZZKIH-RKDXNWHRSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@H]1N(C)CC[C@]12CC[NH2+]C2 107219973 573420151 /nfs/dbraw/zinc/42/01/51/573420151.db2.gz ZENGSBMRHDBJGT-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCSCC2)C1 86409965 573420152 /nfs/dbraw/zinc/42/01/52/573420152.db2.gz NKFNXZVIINDRDI-RKDXNWHRSA-N 1 3 186.324 0.915 10 0 ACAEHO NC[C@H]1SCC[N@@H+]2CCCC[C@@H]12 258026635 573421133 /nfs/dbraw/zinc/42/11/33/573421133.db2.gz OPAFZTBTQXMWCH-DTWKUNHWSA-N 1 3 186.324 0.915 10 0 ACAEHO NC[C@H]1SCC[N@H+]2CCCC[C@@H]12 258026635 573421137 /nfs/dbraw/zinc/42/11/37/573421137.db2.gz OPAFZTBTQXMWCH-DTWKUNHWSA-N 1 3 186.324 0.915 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(C)C(C)(C)CO 133712201 573422305 /nfs/dbraw/zinc/42/23/05/573422305.db2.gz IYQLOEFIKMZWQR-SECBINFHSA-N 1 3 188.315 0.545 10 0 ACAEHO C[C@@H](CN1CCN(C)C[C@@H]1C)C(N)=[NH2+] 235593842 573422322 /nfs/dbraw/zinc/42/23/22/573422322.db2.gz WGDXZIQFADKMMN-IUCAKERBSA-N 1 3 198.314 0.194 10 0 ACAEHO C[C@@H]1CN(CCNC(N)=[NH2+])[C@@H](C)[C@@H]1C 238390154 573422370 /nfs/dbraw/zinc/42/23/70/573422370.db2.gz YPAUFJDAYSJMIR-HLTSFMKQSA-N 1 3 198.314 0.446 10 0 ACAEHO NC[C@@H]1SCC[N@@H+]2CCCC[C@H]12 258026631 573422388 /nfs/dbraw/zinc/42/23/88/573422388.db2.gz OPAFZTBTQXMWCH-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO NC[C@@H]1SCC[N@H+]2CCCC[C@H]12 258026631 573422396 /nfs/dbraw/zinc/42/23/96/573422396.db2.gz OPAFZTBTQXMWCH-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[N@@H+](C1CCOCC1)[C@H]1CC[C@H](N)C1 86431547 573422579 /nfs/dbraw/zinc/42/25/79/573422579.db2.gz ZVAWWOKFBOMCPH-ONGXEEELSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+](C1CCOCC1)[C@H]1CC[C@H](N)C1 86431547 573422585 /nfs/dbraw/zinc/42/25/85/573422585.db2.gz ZVAWWOKFBOMCPH-ONGXEEELSA-N 1 3 198.310 0.977 10 0 ACAEHO CCN1CCC[C@@](C[NH3+])(N(C)C)C1 259445000 573422942 /nfs/dbraw/zinc/42/29/42/573422942.db2.gz VQQDENVJLOKLDE-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO NC[C@@]1(O)CCCC[N@@H+]2CCC[C@@H]21 257811510 573426229 /nfs/dbraw/zinc/42/62/29/573426229.db2.gz BEEFGCDJWZZMNJ-ZJUUUORDSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@@]1(O)CCCC[N@H+]2CCC[C@@H]21 257811510 573426234 /nfs/dbraw/zinc/42/62/34/573426234.db2.gz BEEFGCDJWZZMNJ-ZJUUUORDSA-N 1 3 184.283 0.325 10 0 ACAEHO OC[C@H]1CCCC[N@H+]1C1CCNCC1 83141750 573425350 /nfs/dbraw/zinc/42/53/50/573425350.db2.gz RJHGJWAQICZARS-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@H]1CCCCN1C1CC[NH2+]CC1 83141750 573425352 /nfs/dbraw/zinc/42/53/52/573425352.db2.gz RJHGJWAQICZARS-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@H]1CN(CCO)C[C@@H](C[NH3+])C12CC2 238390306 573425364 /nfs/dbraw/zinc/42/53/64/573425364.db2.gz ILHBPXPOOVLEJM-NXEZZACHSA-N 1 3 198.310 0.286 10 0 ACAEHO C[C@@H]1C[N@H+](CCO)C[C@@H](CN)C12CC2 238390306 573425368 /nfs/dbraw/zinc/42/53/68/573425368.db2.gz ILHBPXPOOVLEJM-NXEZZACHSA-N 1 3 198.310 0.286 10 0 ACAEHO C[C@@H]1C[N@@H+](CCO)C[C@@H](CN)C12CC2 238390306 573425370 /nfs/dbraw/zinc/42/53/70/573425370.db2.gz ILHBPXPOOVLEJM-NXEZZACHSA-N 1 3 198.310 0.286 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](N2CCCOCC2)C1 86432751 573425379 /nfs/dbraw/zinc/42/53/79/573425379.db2.gz KHJITNJGJFEGDU-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO CCCN(CCC)[C@@H](C[NH3+])CO 130012756 573426135 /nfs/dbraw/zinc/42/61/35/573426135.db2.gz BQGUMIJYWNPSDW-VIFPVBQESA-N 1 3 174.288 0.428 10 0 ACAEHO NC[C@@]1(NC2CCC2)CCC[NH2+]C1 257811447 573425645 /nfs/dbraw/zinc/42/56/45/573425645.db2.gz BBQFJEYXXVSMNB-JTQLQIEISA-N 1 3 183.299 0.209 10 0 ACAEHO [NH3+]C[C@@]1(NC2CCC2)CCCNC1 257811447 573425648 /nfs/dbraw/zinc/42/56/48/573425648.db2.gz BBQFJEYXXVSMNB-JTQLQIEISA-N 1 3 183.299 0.209 10 0 ACAEHO NC[C@]1(O)CCCC[N@@H+]2CCC[C@@H]21 257811507 573425986 /nfs/dbraw/zinc/42/59/86/573425986.db2.gz BEEFGCDJWZZMNJ-NXEZZACHSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@]1(O)CCCC[N@H+]2CCC[C@@H]21 257811507 573425989 /nfs/dbraw/zinc/42/59/89/573425989.db2.gz BEEFGCDJWZZMNJ-NXEZZACHSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@]1(O)CCCC[N@H+]2CCC[C@H]21 257811509 573428369 /nfs/dbraw/zinc/42/83/69/573428369.db2.gz BEEFGCDJWZZMNJ-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO CC(C)[N@@H+]1C[C@H]2CCNC[C@@H]2C1 107223739 573428914 /nfs/dbraw/zinc/42/89/14/573428914.db2.gz LGWIQELBGCHTTG-NXEZZACHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC(C)[N@H+]1C[C@H]2CCNC[C@@H]2C1 107223739 573428919 /nfs/dbraw/zinc/42/89/19/573428919.db2.gz LGWIQELBGCHTTG-NXEZZACHSA-N 1 3 168.284 0.936 10 0 ACAEHO C[N@@H+](C1CCOCC1)[C@@H]1CC[C@H](N)C1 86431545 573427920 /nfs/dbraw/zinc/42/79/20/573427920.db2.gz ZVAWWOKFBOMCPH-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+](C1CCOCC1)[C@@H]1CC[C@H](N)C1 86431545 573427926 /nfs/dbraw/zinc/42/79/26/573427926.db2.gz ZVAWWOKFBOMCPH-GXSJLCMTSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](N2CCCOCC2)C1 86432753 573428212 /nfs/dbraw/zinc/42/82/12/573428212.db2.gz KHJITNJGJFEGDU-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H](O)CN(C)[C@@H]1CCC[C@H]([NH3+])C1 86432682 573428280 /nfs/dbraw/zinc/42/82/80/573428280.db2.gz JZVWWRVSKAMRQG-LPEHRKFASA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@H]([NH3+])C2)CCN1C 86432857 573428306 /nfs/dbraw/zinc/42/83/06/573428306.db2.gz WGAZSUJTYKLKES-OUAUKWLOSA-N 1 3 197.326 0.502 10 0 ACAEHO NC[C@]1(O)CCCC[N@@H+]2CCC[C@H]21 257811509 573428363 /nfs/dbraw/zinc/42/83/63/573428363.db2.gz BEEFGCDJWZZMNJ-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO Cc1ccc([C@@H]([NH3+])[C@@H](O)CN)c(C)c1 259446685 573428464 /nfs/dbraw/zinc/42/84/64/573428464.db2.gz NXFAMJNJJTVFIU-WDEREUQCSA-N 1 3 194.278 0.623 10 0 ACAEHO NC[C@@]1(O)CCCC[N@@H+]2CCC[C@H]21 257811508 573428636 /nfs/dbraw/zinc/42/86/36/573428636.db2.gz BEEFGCDJWZZMNJ-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@@]1(O)CCCC[N@H+]2CCC[C@H]21 257811508 573428640 /nfs/dbraw/zinc/42/86/40/573428640.db2.gz BEEFGCDJWZZMNJ-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO Cc1ccc([C@H]([NH3+])[C@@H](O)CN)c(C)c1 259446683 573428871 /nfs/dbraw/zinc/42/88/71/573428871.db2.gz NXFAMJNJJTVFIU-QWRGUYRKSA-N 1 3 194.278 0.623 10 0 ACAEHO CNCC[C@H]([NH2+]C)C1CCC1 259446518 573429045 /nfs/dbraw/zinc/42/90/45/573429045.db2.gz NWJJHPQBBXWSQB-VIFPVBQESA-N 1 3 156.273 0.984 10 0 ACAEHO Cc1ccc([C@H]([NH3+])[C@H](O)CN)c(C)c1 259446680 573429686 /nfs/dbraw/zinc/42/96/86/573429686.db2.gz NXFAMJNJJTVFIU-MNOVXSKESA-N 1 3 194.278 0.623 10 0 ACAEHO CC(C)[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C 107223767 573429427 /nfs/dbraw/zinc/42/94/27/573429427.db2.gz VZPJZQDZLYGDQF-OPRDCNLKSA-N 1 3 168.284 0.792 10 0 ACAEHO CC[C@H](C)N(CC)[C@@H](C[NH3+])CO 130026625 573431454 /nfs/dbraw/zinc/43/14/54/573431454.db2.gz DBHBOTJUVMVRKS-IUCAKERBSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CCN1C 107223783 573431513 /nfs/dbraw/zinc/43/15/13/573431513.db2.gz HPPQCGHAVTYVIG-LPEHRKFASA-N 1 3 168.284 0.936 10 0 ACAEHO C[N@@H+]1C[C@H]2CCNC[C@@H]2C1(C)C 107223747 573431489 /nfs/dbraw/zinc/43/14/89/573431489.db2.gz RTMIEKJXFLAIMK-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[N@H+]1C[C@H]2CCNC[C@@H]2C1(C)C 107223747 573431493 /nfs/dbraw/zinc/43/14/93/573431493.db2.gz RTMIEKJXFLAIMK-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1OCC[C@]1(C)N1CCC([NH3+])CC1 235599516 573431664 /nfs/dbraw/zinc/43/16/64/573431664.db2.gz ZRRLEDYDJAFCMA-KOLCDFICSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C(C)(C)N1C 107223755 573431881 /nfs/dbraw/zinc/43/18/81/573431881.db2.gz KGQKIENFGADCEN-VGMNWLOBSA-N 1 3 168.284 0.935 10 0 ACAEHO CC(C)N1CCC[C@](O)(C[NH3+])C1 107225649 573431942 /nfs/dbraw/zinc/43/19/42/573431942.db2.gz XEQUPIFBBSUEPM-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1OCC[C@]1(C)[N@@H+]1CCCNCC1 235599588 573431992 /nfs/dbraw/zinc/43/19/92/573431992.db2.gz ULMRIBUEWHEBNK-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1OCC[C@]1(C)[N@H+]1CCCNCC1 235599588 573431996 /nfs/dbraw/zinc/43/19/96/573431996.db2.gz ULMRIBUEWHEBNK-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1(C)C 107223752 573432246 /nfs/dbraw/zinc/43/22/46/573432246.db2.gz RTMIEKJXFLAIMK-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[N@H+]1C[C@@H]2CCNC[C@@H]2C1(C)C 107223752 573432249 /nfs/dbraw/zinc/43/22/49/573432249.db2.gz RTMIEKJXFLAIMK-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CCN1C 107223703 573432412 /nfs/dbraw/zinc/43/24/12/573432412.db2.gz JPPINYCZBBAPCR-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@@H]2CNCC[C@@H]2CC[N@@H+]1C 107223703 573432416 /nfs/dbraw/zinc/43/24/16/573432416.db2.gz JPPINYCZBBAPCR-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@@H]2CNCC[C@@H]2CC[N@H+]1C 107223703 573432419 /nfs/dbraw/zinc/43/24/19/573432419.db2.gz JPPINYCZBBAPCR-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO CC(C)N[C@@]1(CN)CCC[NH2+]C1 257812002 573432944 /nfs/dbraw/zinc/43/29/44/573432944.db2.gz BJIZOUMNCUIIRQ-SECBINFHSA-N 1 3 171.288 0.065 10 0 ACAEHO CC(C)[NH2+][C@@]1(CN)CCCNC1 257812002 573432947 /nfs/dbraw/zinc/43/29/47/573432947.db2.gz BJIZOUMNCUIIRQ-SECBINFHSA-N 1 3 171.288 0.065 10 0 ACAEHO CCC(CC)N(C)[C@H](C[NH3+])CO 130034340 573433075 /nfs/dbraw/zinc/43/30/75/573433075.db2.gz PMNRIHWINKAICG-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO CC[C@@H]1[C@H]2CNCC[C@@H]2C[N@@H+]1C 107223697 573433090 /nfs/dbraw/zinc/43/30/90/573433090.db2.gz YHAVBBMACDNQIM-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO CC[C@@H]1[C@H]2CNCC[C@@H]2C[N@H+]1C 107223697 573433095 /nfs/dbraw/zinc/43/30/95/573433095.db2.gz YHAVBBMACDNQIM-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN(CC(C)C)[C@H](C[NH3+])CO 130026145 573433817 /nfs/dbraw/zinc/43/38/17/573433817.db2.gz BYVVWVWBDOTMLB-SECBINFHSA-N 1 3 174.288 0.284 10 0 ACAEHO NC[C@H](F)CC1CC[NH2+]CC1 258649370 573433841 /nfs/dbraw/zinc/43/38/41/573433841.db2.gz ZHWUDDATIFFEFC-MRVPVSSYSA-N 1 3 160.236 0.673 10 0 ACAEHO C[C@@H]1[NH2+]C[C@H](CN(C)C)C[C@@H]1CO 238394842 573433987 /nfs/dbraw/zinc/43/39/87/573433987.db2.gz IEADBOFIBCLOQS-IVZWLZJFSA-N 1 3 186.299 0.155 10 0 ACAEHO C[C@@H]1NC[C@H](C[NH+](C)C)C[C@@H]1CO 238394842 573433990 /nfs/dbraw/zinc/43/39/90/573433990.db2.gz IEADBOFIBCLOQS-IVZWLZJFSA-N 1 3 186.299 0.155 10 0 ACAEHO CC(C)N[C@]1(CN)CCC[NH2+]C1 257812003 573434964 /nfs/dbraw/zinc/43/49/64/573434964.db2.gz BJIZOUMNCUIIRQ-VIFPVBQESA-N 1 3 171.288 0.065 10 0 ACAEHO CC(C)[NH2+][C@]1(CN)CCCNC1 257812003 573434968 /nfs/dbraw/zinc/43/49/68/573434968.db2.gz BJIZOUMNCUIIRQ-VIFPVBQESA-N 1 3 171.288 0.065 10 0 ACAEHO NC[C@]1(Nc2ccccc2)CC[NH2+]C1 257811869 573435082 /nfs/dbraw/zinc/43/50/82/573435082.db2.gz BLGWSFRXODMZPL-LLVKDONJSA-N 1 3 191.278 0.789 10 0 ACAEHO NC[C@@H](F)CC1CC[NH2+]CC1 258649379 573435351 /nfs/dbraw/zinc/43/53/51/573435351.db2.gz ZHWUDDATIFFEFC-QMMMGPOBSA-N 1 3 160.236 0.673 10 0 ACAEHO CNCc1cccc(C(N)=[NH2+])c1 86456375 573435471 /nfs/dbraw/zinc/43/54/71/573435471.db2.gz OGNHUWWYYZNFQZ-UHFFFAOYSA-N 1 3 163.224 0.690 10 0 ACAEHO OC[C@@H]1CCNC[C@@H]1[NH+]1CCCC1 215203282 573435657 /nfs/dbraw/zinc/43/56/57/573435657.db2.gz VDLQAQVNYYQOMZ-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO NCc1ccc(C(N)=[NH2+])cc1F 86456398 573435988 /nfs/dbraw/zinc/43/59/88/573435988.db2.gz BEFQGXUITPZNJM-UHFFFAOYSA-N 1 3 167.187 0.568 10 0 ACAEHO CCNC[C@@H](C)C(N)=[NH2+] 86456394 573436000 /nfs/dbraw/zinc/43/60/00/573436000.db2.gz XDBJKPXSKQULGW-RXMQYKEDSA-N 1 3 129.207 0.168 10 0 ACAEHO CN[C@@H](C)c1cnn([C@@H]2CC[NH2+]C2)c1 257813321 573436653 /nfs/dbraw/zinc/43/66/53/573436653.db2.gz CCBLACMYTFMXPJ-WCBMZHEXSA-N 1 3 194.282 0.698 10 0 ACAEHO CCNC[C@H](C)C(N)=[NH2+] 86456395 573437623 /nfs/dbraw/zinc/43/76/23/573437623.db2.gz XDBJKPXSKQULGW-YFKPBYRVSA-N 1 3 129.207 0.168 10 0 ACAEHO NC(=[NH2+])CCNC1CC1 86456380 573437732 /nfs/dbraw/zinc/43/77/32/573437732.db2.gz MKSVEIYPOCLCHS-UHFFFAOYSA-N 1 3 127.191 0.064 10 0 ACAEHO C[C@@H]1CNCCCC[N@@H+]1C 238396183 573437862 /nfs/dbraw/zinc/43/78/62/573437862.db2.gz ULBBBYNSIPPTJB-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO C[C@@H]1CNCCCC[N@H+]1C 238396183 573437865 /nfs/dbraw/zinc/43/78/65/573437865.db2.gz ULBBBYNSIPPTJB-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO [NH3+][C@H](CCNC[C@H]1CCCO1)C1CC1 130042188 573437933 /nfs/dbraw/zinc/43/79/33/573437933.db2.gz HJEMDTCQHNXBCI-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](C)CN 308582168 573438109 /nfs/dbraw/zinc/43/81/09/573438109.db2.gz PXVIWXWYDCJJBE-ZJUUUORDSA-N 1 3 196.298 0.456 10 0 ACAEHO C[C@@H](Cn1ccnc1)NC[C@H](C)C[NH3+] 308582168 573438113 /nfs/dbraw/zinc/43/81/13/573438113.db2.gz PXVIWXWYDCJJBE-ZJUUUORDSA-N 1 3 196.298 0.456 10 0 ACAEHO CN[C@H](C)c1cnn([C@@H]2CC[NH2+]C2)c1 257813319 573438367 /nfs/dbraw/zinc/43/83/67/573438367.db2.gz CCBLACMYTFMXPJ-PSASIEDQSA-N 1 3 194.282 0.698 10 0 ACAEHO CC[C@](C)(C[NH3+])N(C)[C@@H]1CCN(C)C1 308582098 573438390 /nfs/dbraw/zinc/43/83/90/573438390.db2.gz PVJPNCWOBPWRBL-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@](C)(CN)[N@H+](C)[C@@H]1CCN(C)C1 308582098 573438398 /nfs/dbraw/zinc/43/83/98/573438398.db2.gz PVJPNCWOBPWRBL-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@](C)(CN)[N@@H+](C)[C@@H]1CCN(C)C1 308582098 573438402 /nfs/dbraw/zinc/43/84/02/573438402.db2.gz PVJPNCWOBPWRBL-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CCN[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 259451326 573438450 /nfs/dbraw/zinc/43/84/50/573438450.db2.gz OCNGJVHWLUSXHH-RKDXNWHRSA-N 1 3 185.315 0.263 10 0 ACAEHO CN1CC[NH2+][C@@H]([C@@H](N)C(C)(C)C)C1 259451326 573438454 /nfs/dbraw/zinc/43/84/54/573438454.db2.gz OCNGJVHWLUSXHH-RKDXNWHRSA-N 1 3 185.315 0.263 10 0 ACAEHO CN[C@H](C)c1cnn([C@H]2CC[NH2+]C2)c1 257813320 573438532 /nfs/dbraw/zinc/43/85/32/573438532.db2.gz CCBLACMYTFMXPJ-SCZZXKLOSA-N 1 3 194.282 0.698 10 0 ACAEHO [NH3+][C@@H](CCNC[C@@H]1CCCO1)C1CC1 130041968 573438746 /nfs/dbraw/zinc/43/87/46/573438746.db2.gz HJEMDTCQHNXBCI-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@@](C)(C[NH3+])N(C)[C@@H]1CCN(C)C1 308582099 573439069 /nfs/dbraw/zinc/43/90/69/573439069.db2.gz PVJPNCWOBPWRBL-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@](C)(CN)[N@H+](C)[C@@H]1CCN(C)C1 308582099 573439075 /nfs/dbraw/zinc/43/90/75/573439075.db2.gz PVJPNCWOBPWRBL-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@](C)(CN)[N@@H+](C)[C@@H]1CCN(C)C1 308582099 573439084 /nfs/dbraw/zinc/43/90/84/573439084.db2.gz PVJPNCWOBPWRBL-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+][C@@H](CCNC[C@H]1CCCO1)C1CC1 130041726 573439362 /nfs/dbraw/zinc/43/93/62/573439362.db2.gz HJEMDTCQHNXBCI-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@](C)(C[NH3+])N(C)[C@H]1CCN(C)C1 308582101 573439556 /nfs/dbraw/zinc/43/95/56/573439556.db2.gz PVJPNCWOBPWRBL-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@](C)(CN)[N@H+](C)[C@H]1CCN(C)C1 308582101 573439566 /nfs/dbraw/zinc/43/95/66/573439566.db2.gz PVJPNCWOBPWRBL-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@](C)(CN)[N@@H+](C)[C@H]1CCN(C)C1 308582101 573439571 /nfs/dbraw/zinc/43/95/71/573439571.db2.gz PVJPNCWOBPWRBL-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[N@@H+]1CCNC[C@@H](CF)C1 258655447 573439625 /nfs/dbraw/zinc/43/96/25/573439625.db2.gz ZVTWQGRYZVDHHP-SSDOTTSWSA-N 1 3 146.209 0.107 10 0 ACAEHO C[N@H+]1CCNC[C@@H](CF)C1 258655447 573439631 /nfs/dbraw/zinc/43/96/31/573439631.db2.gz ZVTWQGRYZVDHHP-SSDOTTSWSA-N 1 3 146.209 0.107 10 0 ACAEHO C[C@H](NCC(C)(C)O)[C@@H](C)[NH3+] 238395354 573439754 /nfs/dbraw/zinc/43/97/54/573439754.db2.gz XCMPAPQGSZVXSN-RQJHMYQMSA-N 1 3 160.261 0.083 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H](C)Cn1ccnc1 308582165 573440221 /nfs/dbraw/zinc/44/02/21/573440221.db2.gz PXVIWXWYDCJJBE-NXEZZACHSA-N 1 3 196.298 0.456 10 0 ACAEHO CN(C)C1(CC2([NH3+])CC2)CC1 258655626 573440174 /nfs/dbraw/zinc/44/01/74/573440174.db2.gz ZXEFSNJTYSVWDI-UHFFFAOYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H](C)Cn1ccnc1 308582165 573440226 /nfs/dbraw/zinc/44/02/26/573440226.db2.gz PXVIWXWYDCJJBE-NXEZZACHSA-N 1 3 196.298 0.456 10 0 ACAEHO C[C@@H]1C[C@@](CN)([NH2+]CCN(C)C)[C@@H]1C 308582683 573441594 /nfs/dbraw/zinc/44/15/94/573441594.db2.gz QDFRZAJDWBEQCA-MXWKQRLJSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H]1C[C@@](C[NH3+])(NCCN(C)C)[C@@H]1C 308582683 573441599 /nfs/dbraw/zinc/44/15/99/573441599.db2.gz QDFRZAJDWBEQCA-MXWKQRLJSA-N 1 3 199.342 0.511 10 0 ACAEHO CN1CCN[C@H]([C@H]([NH3+])C(C)(C)C)C1 259451324 573441041 /nfs/dbraw/zinc/44/10/41/573441041.db2.gz OCNGJVHWLUSXHH-IUCAKERBSA-N 1 3 185.315 0.263 10 0 ACAEHO CN1CC[NH2+][C@H]([C@H](N)C(C)(C)C)C1 259451324 573441046 /nfs/dbraw/zinc/44/10/46/573441046.db2.gz OCNGJVHWLUSXHH-IUCAKERBSA-N 1 3 185.315 0.263 10 0 ACAEHO CN1CCN[C@H]([C@@H]([NH3+])C(C)(C)C)C1 259451323 573441152 /nfs/dbraw/zinc/44/11/52/573441152.db2.gz OCNGJVHWLUSXHH-DTWKUNHWSA-N 1 3 185.315 0.263 10 0 ACAEHO CN1CC[NH2+][C@H]([C@@H](N)C(C)(C)C)C1 259451323 573441156 /nfs/dbraw/zinc/44/11/56/573441156.db2.gz OCNGJVHWLUSXHH-DTWKUNHWSA-N 1 3 185.315 0.263 10 0 ACAEHO C[N@@H+]1CCNC[C@H](CF)C1 258655454 573441177 /nfs/dbraw/zinc/44/11/77/573441177.db2.gz ZVTWQGRYZVDHHP-ZETCQYMHSA-N 1 3 146.209 0.107 10 0 ACAEHO C[N@H+]1CCNC[C@H](CF)C1 258655454 573441183 /nfs/dbraw/zinc/44/11/83/573441183.db2.gz ZVTWQGRYZVDHHP-ZETCQYMHSA-N 1 3 146.209 0.107 10 0 ACAEHO C1CC([NH2+]CCOC2CC2)CCN1 714947683 573442541 /nfs/dbraw/zinc/44/25/41/573442541.db2.gz BMJJPRUJMDSXAZ-UHFFFAOYSA-N 1 3 184.283 0.507 10 0 ACAEHO CC(C)N1CCC2(CC1)C[NH+]=C(N)N2 86457615 573443007 /nfs/dbraw/zinc/44/30/07/573443007.db2.gz LQENAKUICXRZLL-UHFFFAOYSA-N 1 3 196.298 0.147 10 0 ACAEHO CN1CCC[C@@H]1C1([NH3+])CCC1 258023213 573443647 /nfs/dbraw/zinc/44/36/47/573443647.db2.gz NNJIHVNLJDETJQ-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@@H](C(N)=[NH2+])N(C)[C@@H]1CCN(C)C1 308587360 573443836 /nfs/dbraw/zinc/44/38/36/573443836.db2.gz STWTXMHXPOLYDY-BDAKNGLRSA-N 1 3 198.314 0.337 10 0 ACAEHO [NH3+]CCNCC1(O)CCCCCC1 50523559 573444028 /nfs/dbraw/zinc/44/40/28/573444028.db2.gz PPYRMYMHVAMFIS-UHFFFAOYSA-N 1 3 186.299 0.620 10 0 ACAEHO C[C@@H]1C[C@](CN)([NH2+]CCN(C)C)[C@@H]1C 308582682 573444061 /nfs/dbraw/zinc/44/40/61/573444061.db2.gz QDFRZAJDWBEQCA-GMTAPVOTSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H]1C[C@](C[NH3+])(NCCN(C)C)[C@@H]1C 308582682 573444065 /nfs/dbraw/zinc/44/40/65/573444065.db2.gz QDFRZAJDWBEQCA-GMTAPVOTSA-N 1 3 199.342 0.511 10 0 ACAEHO OC[C@@H]1C[C@@H](CN2CCCC2)C[NH2+]1 258355543 573444082 /nfs/dbraw/zinc/44/40/82/573444082.db2.gz YWESTCFHTGGZQD-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO C[NH2+]C[C@@H](CN)[C@H]1CCSC1 258346337 573444113 /nfs/dbraw/zinc/44/41/13/573444113.db2.gz ZNSNMZALQHAGPY-JGVFFNPUSA-N 1 3 174.313 0.534 10 0 ACAEHO C[NH2+]Cc1cnn([C@@H]2CCN(C)C2)c1 257813617 573444232 /nfs/dbraw/zinc/44/42/32/573444232.db2.gz CFYFHZPFXLYWJY-SNVBAGLBSA-N 1 3 194.282 0.479 10 0 ACAEHO CN1CCN[C@@H]([C@H]([NH3+])C(C)(C)C)C1 259451321 573444320 /nfs/dbraw/zinc/44/43/20/573444320.db2.gz OCNGJVHWLUSXHH-BDAKNGLRSA-N 1 3 185.315 0.263 10 0 ACAEHO CN1CC[NH2+][C@@H]([C@H](N)C(C)(C)C)C1 259451321 573444326 /nfs/dbraw/zinc/44/43/26/573444326.db2.gz OCNGJVHWLUSXHH-BDAKNGLRSA-N 1 3 185.315 0.263 10 0 ACAEHO C[NH2+]C[C@H](CN)[C@H]1CCSC1 258346340 573444845 /nfs/dbraw/zinc/44/48/45/573444845.db2.gz ZNSNMZALQHAGPY-YUMQZZPRSA-N 1 3 174.313 0.534 10 0 ACAEHO CC(C)([NH3+])CCNCCn1ccnc1 308587790 573447296 /nfs/dbraw/zinc/44/72/96/573447296.db2.gz JBIANBPHTAVDRK-UHFFFAOYSA-N 1 3 196.298 0.600 10 0 ACAEHO CC(C)N1CC[C@]2(C[NH+]=C(N)N2C)C1 86458142 573447674 /nfs/dbraw/zinc/44/76/74/573447674.db2.gz KZAMCDUWRPOEFR-JTQLQIEISA-N 1 3 196.298 0.099 10 0 ACAEHO C[NH2+][C@H](C)c1ccc(CN)[nH]1 258656729 573447878 /nfs/dbraw/zinc/44/78/78/573447878.db2.gz ZXZYTKNCQQXFBE-ZCFIWIBFSA-N 1 3 153.229 0.754 10 0 ACAEHO CC(C)[C@@H]([NH3+])CN(C)[C@@H]1CCN(C)C1 308588077 573447989 /nfs/dbraw/zinc/44/79/89/573447989.db2.gz TWLXLMWILARCIB-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)N1CC[C@@]2(C[NH+]=C(N)N2C)C1 86458144 573448117 /nfs/dbraw/zinc/44/81/17/573448117.db2.gz KZAMCDUWRPOEFR-SNVBAGLBSA-N 1 3 196.298 0.099 10 0 ACAEHO Cc1nn(C2C[NH2+]C2)c(C)c1CN 257816692 573448198 /nfs/dbraw/zinc/44/81/98/573448198.db2.gz DHOHKBZAPPQCHD-UHFFFAOYSA-N 1 3 180.255 0.103 10 0 ACAEHO Cc1nccn1CCC[NH2+]CCCN 308812155 573448762 /nfs/dbraw/zinc/44/87/62/573448762.db2.gz CVFQJPYFYNSLKQ-UHFFFAOYSA-N 1 3 196.298 0.520 10 0 ACAEHO CN(C)C[C@H](F)C1CC[NH2+]CC1 107256570 573449042 /nfs/dbraw/zinc/44/90/42/573449042.db2.gz YQUDZCDROZYNFI-VIFPVBQESA-N 1 3 174.263 0.886 10 0 ACAEHO [NH3+][C@H]1CNCC[C@@H]1C(F)F 107259447 573449094 /nfs/dbraw/zinc/44/90/94/573449094.db2.gz LKGQMVDZGUQPML-WHFBIAKZSA-N 1 3 150.172 0.188 10 0 ACAEHO C[C@H]1[C@H](N)CC[C@@H](C)[N@H+]1C 107259390 573449375 /nfs/dbraw/zinc/44/93/75/573449375.db2.gz ZVQIGWHBPACQQI-GJMOJQLCSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H]1[C@H](N)CC[C@@H](C)[N@@H+]1C 107259390 573449378 /nfs/dbraw/zinc/44/93/78/573449378.db2.gz ZVQIGWHBPACQQI-GJMOJQLCSA-N 1 3 142.246 0.816 10 0 ACAEHO C(C[C@@H]1CN2CCN1CC2)[NH2+]C1CC1 214896407 573449524 /nfs/dbraw/zinc/44/95/24/573449524.db2.gz AMAVKEOYVYDIIK-LLVKDONJSA-N 1 3 195.310 0.128 10 0 ACAEHO CCNC[C@@H]([NH3+])C1CCOCC1 259453137 573449589 /nfs/dbraw/zinc/44/95/89/573449589.db2.gz QNSSLEZANRUORK-SECBINFHSA-N 1 3 172.272 0.350 10 0 ACAEHO CCNC[C@H]([NH3+])C1CCOCC1 259453138 573449611 /nfs/dbraw/zinc/44/96/11/573449611.db2.gz QNSSLEZANRUORK-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO [NH3+]CCCCN1CC[C@@H](F)C1 107260980 573449897 /nfs/dbraw/zinc/44/98/97/573449897.db2.gz JUAMOKLHAOSRFV-MRVPVSSYSA-N 1 3 160.236 0.769 10 0 ACAEHO C[C@H]1[C@@H](N)CC[C@@H](C)[N@H+]1C 107259384 573449986 /nfs/dbraw/zinc/44/99/86/573449986.db2.gz ZVQIGWHBPACQQI-CSMHCCOUSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H]1[C@@H](N)CC[C@@H](C)[N@@H+]1C 107259384 573449994 /nfs/dbraw/zinc/44/99/94/573449994.db2.gz ZVQIGWHBPACQQI-CSMHCCOUSA-N 1 3 142.246 0.816 10 0 ACAEHO [NH3+][C@H]1CNCC[C@H]1C(F)F 107259443 573450168 /nfs/dbraw/zinc/45/01/68/573450168.db2.gz LKGQMVDZGUQPML-UHNVWZDZSA-N 1 3 150.172 0.188 10 0 ACAEHO CN[C@@H](C)c1ccnn1[C@@H]1CC[NH2+]C1 257817238 573450409 /nfs/dbraw/zinc/45/04/09/573450409.db2.gz DSQCCUCHZCDRTA-DTWKUNHWSA-N 1 3 194.282 0.698 10 0 ACAEHO CC(C)[C@@H]([NH3+])CN(C)[C@H]1CCN(C)C1 308588078 573450524 /nfs/dbraw/zinc/45/05/24/573450524.db2.gz TWLXLMWILARCIB-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CN[C@H](C)c1ccnn1[C@H]1CC[NH2+]C1 257817237 573450633 /nfs/dbraw/zinc/45/06/33/573450633.db2.gz DSQCCUCHZCDRTA-BDAKNGLRSA-N 1 3 194.282 0.698 10 0 ACAEHO CN[C@@H](C)c1ccnn1[C@H]1CC[NH2+]C1 257817240 573450729 /nfs/dbraw/zinc/45/07/29/573450729.db2.gz DSQCCUCHZCDRTA-IUCAKERBSA-N 1 3 194.282 0.698 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@@H]1C(F)F 107259449 573450838 /nfs/dbraw/zinc/45/08/38/573450838.db2.gz LKGQMVDZGUQPML-CRCLSJGQSA-N 1 3 150.172 0.188 10 0 ACAEHO [NH3+]CC1(NCC2CC2)CC1 236227250 573450857 /nfs/dbraw/zinc/45/08/57/573450857.db2.gz RNPKRAKKXYJWKI-UHFFFAOYSA-N 1 3 140.230 0.477 10 0 ACAEHO CCn1nc2c(c1C[NH3+])CCN(C)C2 257816784 573451120 /nfs/dbraw/zinc/45/11/20/573451120.db2.gz DNPXOKQIYNBXPB-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO [NH3+]CC1(NC2CC2)CCC1 86475139 573451153 /nfs/dbraw/zinc/45/11/53/573451153.db2.gz KONUJTKUCFADPR-UHFFFAOYSA-N 1 3 140.230 0.620 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@H]1C(F)F 107259445 573451179 /nfs/dbraw/zinc/45/11/79/573451179.db2.gz LKGQMVDZGUQPML-RFZPGFLSSA-N 1 3 150.172 0.188 10 0 ACAEHO CC[C@@H]1C[NH2+]CC[C@H]1N(C)C 142532231 573451487 /nfs/dbraw/zinc/45/14/87/573451487.db2.gz NMAQNNVQRBLRNH-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@@H]1CNCC[C@H]1[NH+](C)C 142532231 573451492 /nfs/dbraw/zinc/45/14/92/573451492.db2.gz NMAQNNVQRBLRNH-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@H]2COCCCN2)C1 83276153 573451507 /nfs/dbraw/zinc/45/15/07/573451507.db2.gz WXDULWHXLWKEEG-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@H]2COCCCN2)C1 83276153 573451512 /nfs/dbraw/zinc/45/15/12/573451512.db2.gz WXDULWHXLWKEEG-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO CC(C)[C@H]([NH3+])CN(C)[C@H]1CCN(C)C1 308588080 573452250 /nfs/dbraw/zinc/45/22/50/573452250.db2.gz TWLXLMWILARCIB-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CCO[C@@]1(C[NH3+])CCN(C2CC2)C1 257816992 573452370 /nfs/dbraw/zinc/45/23/70/573452370.db2.gz DLDLDKGSPRTNMN-SNVBAGLBSA-N 1 3 184.283 0.589 10 0 ACAEHO CCO[C@@]1(CN)CC[N@@H+](C2CC2)C1 257816992 573452378 /nfs/dbraw/zinc/45/23/78/573452378.db2.gz DLDLDKGSPRTNMN-SNVBAGLBSA-N 1 3 184.283 0.589 10 0 ACAEHO CCO[C@@]1(CN)CC[N@H+](C2CC2)C1 257816992 573452385 /nfs/dbraw/zinc/45/23/85/573452385.db2.gz DLDLDKGSPRTNMN-SNVBAGLBSA-N 1 3 184.283 0.589 10 0 ACAEHO CC(C)N1C(N)=[NH+]C[C@@]12CCN(C)C2 86473276 573453191 /nfs/dbraw/zinc/45/31/91/573453191.db2.gz BYVCCGVRESKCLY-SNVBAGLBSA-N 1 3 196.298 0.099 10 0 ACAEHO CN1CCCC[C@@H]1[C@H]1C[NH2+][C@H](CO)C1 258362479 573454498 /nfs/dbraw/zinc/45/44/98/573454498.db2.gz ZJYCZFODKSHUCL-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@@H]1C[NH2+]CC[C@@H]1N(C)C 142531827 573452636 /nfs/dbraw/zinc/45/26/36/573452636.db2.gz NMAQNNVQRBLRNH-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@@H]1CNCC[C@@H]1[NH+](C)C 142531827 573452639 /nfs/dbraw/zinc/45/26/39/573452639.db2.gz NMAQNNVQRBLRNH-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO [NH3+]CC1(NC2CC=CC2)CC1 236226166 573452701 /nfs/dbraw/zinc/45/27/01/573452701.db2.gz XBHRUJYHVLCHFG-UHFFFAOYSA-N 1 3 152.241 0.786 10 0 ACAEHO CCO[C@]1(C[NH3+])CCN(C2CC2)C1 257816990 573452817 /nfs/dbraw/zinc/45/28/17/573452817.db2.gz DLDLDKGSPRTNMN-JTQLQIEISA-N 1 3 184.283 0.589 10 0 ACAEHO CCO[C@]1(CN)CC[N@@H+](C2CC2)C1 257816990 573452823 /nfs/dbraw/zinc/45/28/23/573452823.db2.gz DLDLDKGSPRTNMN-JTQLQIEISA-N 1 3 184.283 0.589 10 0 ACAEHO CCO[C@]1(CN)CC[N@H+](C2CC2)C1 257816990 573452828 /nfs/dbraw/zinc/45/28/28/573452828.db2.gz DLDLDKGSPRTNMN-JTQLQIEISA-N 1 3 184.283 0.589 10 0 ACAEHO CN1CCCN(C2(C[NH3+])CCC2)CC1 86474935 573452999 /nfs/dbraw/zinc/45/29/99/573452999.db2.gz QYNMLEWUQZTYIV-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO CC[C@H]1C[NH2+]CC[C@H]1N(C)C 142532461 573453036 /nfs/dbraw/zinc/45/30/36/573453036.db2.gz NMAQNNVQRBLRNH-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@H]1CNCC[C@H]1[NH+](C)C 142532461 573453043 /nfs/dbraw/zinc/45/30/43/573453043.db2.gz NMAQNNVQRBLRNH-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO OC[C@]1(C[C@H]2CCCCN2)CCC[NH2+]1 258360235 573454513 /nfs/dbraw/zinc/45/45/13/573454513.db2.gz ZYQQJNGNVZRAJW-GHMZBOCLSA-N 1 3 198.310 0.633 10 0 ACAEHO C[C@@H](CN)[C@H]([NH3+])C1CCC1 259455074 573453247 /nfs/dbraw/zinc/45/32/47/573453247.db2.gz QQSHEBGSJDAYMT-XPUUQOCRSA-N 1 3 142.246 0.709 10 0 ACAEHO CN(C)[C@H](O)C1CC[NH+](C)CC1 259456408 573454430 /nfs/dbraw/zinc/45/44/30/573454430.db2.gz JLFPGZFVJWEHSR-SECBINFHSA-N 1 3 172.272 0.208 10 0 ACAEHO CN1CCCC[C@@H]1[C@@H]1C[NH2+][C@H](CO)C1 258362475 573454895 /nfs/dbraw/zinc/45/48/95/573454895.db2.gz ZJYCZFODKSHUCL-GARJFASQSA-N 1 3 198.310 0.441 10 0 ACAEHO CN1C[C@H](O)C[C@@H]1[C@@H]1CCC[NH2+]C1 107265051 573454901 /nfs/dbraw/zinc/45/49/01/573454901.db2.gz NDBQQFHVVYMVBD-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCNC1 107265051 573454905 /nfs/dbraw/zinc/45/49/05/573454905.db2.gz NDBQQFHVVYMVBD-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCNC1 107265051 573454912 /nfs/dbraw/zinc/45/49/12/573454912.db2.gz NDBQQFHVVYMVBD-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)C[C@H]([NH3+])CN1C1CC1 259453818 573455378 /nfs/dbraw/zinc/45/53/78/573455378.db2.gz PKBRMSCOYAPUII-ZETCQYMHSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H](CN)[C@@H]([NH3+])C1CCC1 259455069 573455411 /nfs/dbraw/zinc/45/54/11/573455411.db2.gz QQSHEBGSJDAYMT-POYBYMJQSA-N 1 3 142.246 0.709 10 0 ACAEHO COCCN1CC[C@@H]([NH3+])CC1(C)C 259455368 573455468 /nfs/dbraw/zinc/45/54/68/573455468.db2.gz PRIZPBSYSHSASI-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@](C)([NH3+])CN(C)[C@H]1CCN(C)C1 308591279 573455503 /nfs/dbraw/zinc/45/55/03/573455503.db2.gz VPQJWZKZWGHYHI-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO N[C@@H]1C[C@H]1[C@@H]1CCC[NH2+]1 259454149 573455524 /nfs/dbraw/zinc/45/55/24/573455524.db2.gz VSZHDOFOOOYFNQ-QYNIQEEDSA-N 1 3 126.203 0.086 10 0 ACAEHO C[C@H](CN)[C@H]([NH3+])C1CCC1 259455071 573455917 /nfs/dbraw/zinc/45/59/17/573455917.db2.gz QQSHEBGSJDAYMT-SVRRBLITSA-N 1 3 142.246 0.709 10 0 ACAEHO CC[C@](C)([NH3+])CN(C)[C@@H]1CCN(C)C1 308591277 573456778 /nfs/dbraw/zinc/45/67/78/573456778.db2.gz VPQJWZKZWGHYHI-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C)[C@@H](C1CCC1)N1CC[NH2+]CC1 259452420 573456405 /nfs/dbraw/zinc/45/64/05/573456405.db2.gz JIEKUDRGRQCCCZ-LLVKDONJSA-N 1 3 197.326 0.579 10 0 ACAEHO COCCN1CC[C@H]([NH3+])CC1(C)C 259455370 573456439 /nfs/dbraw/zinc/45/64/39/573456439.db2.gz PRIZPBSYSHSASI-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CN1CC[C@H](CO)[C@@H]1[C@@H]1CCC[NH2+]C1 107264937 573456604 /nfs/dbraw/zinc/45/66/04/573456604.db2.gz HNWPYYUAFDGYQF-MXWKQRLJSA-N 1 3 198.310 0.299 10 0 ACAEHO C[N@@H+]1CC[C@H](CO)[C@@H]1[C@@H]1CCCNC1 107264937 573456612 /nfs/dbraw/zinc/45/66/12/573456612.db2.gz HNWPYYUAFDGYQF-MXWKQRLJSA-N 1 3 198.310 0.299 10 0 ACAEHO C[N@H+]1CC[C@H](CO)[C@@H]1[C@@H]1CCCNC1 107264937 573456617 /nfs/dbraw/zinc/45/66/17/573456617.db2.gz HNWPYYUAFDGYQF-MXWKQRLJSA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@H](CN)[C@@H]([NH3+])C1CCC1 259455066 573456688 /nfs/dbraw/zinc/45/66/88/573456688.db2.gz QQSHEBGSJDAYMT-HTRCEHHLSA-N 1 3 142.246 0.709 10 0 ACAEHO CN(C)[C@H](C1CCC1)N1CC[NH2+]CC1 259452421 573456713 /nfs/dbraw/zinc/45/67/13/573456713.db2.gz JIEKUDRGRQCCCZ-NSHDSACASA-N 1 3 197.326 0.579 10 0 ACAEHO OC[C@@]1(C[C@@H]2CCCCN2)CCC[NH2+]1 258360239 573458194 /nfs/dbraw/zinc/45/81/94/573458194.db2.gz ZYQQJNGNVZRAJW-QWRGUYRKSA-N 1 3 198.310 0.633 10 0 ACAEHO CC1(C)C[C@@H]([NH3+])CN1C1CC1 259453816 573458168 /nfs/dbraw/zinc/45/81/68/573458168.db2.gz PKBRMSCOYAPUII-SSDOTTSWSA-N 1 3 154.257 0.960 10 0 ACAEHO CN1CCCC[C@@H]1[C@H]1C[NH2+][C@@H](CO)C1 258362476 573457973 /nfs/dbraw/zinc/45/79/73/573457973.db2.gz ZJYCZFODKSHUCL-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO CN[C@H](C)C[C@H]1CCC[NH2+]1 86494660 573464966 /nfs/dbraw/zinc/46/49/66/573464966.db2.gz LSVMFIQVAIXOBF-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO CC(C)([NH3+])CCNCCn1cccn1 308592018 573459007 /nfs/dbraw/zinc/45/90/07/573459007.db2.gz KSLMLDJZANJUEU-UHFFFAOYSA-N 1 3 196.298 0.600 10 0 ACAEHO NC[C@@H](C[NH2+]C1CC1)[C@H]1CCOC1 258033471 573459213 /nfs/dbraw/zinc/45/92/13/573459213.db2.gz GQESUMYEKRNLEG-IUCAKERBSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+]C[C@@H](CNC1CC1)[C@H]1CCOC1 258033471 573459219 /nfs/dbraw/zinc/45/92/19/573459219.db2.gz GQESUMYEKRNLEG-IUCAKERBSA-N 1 3 184.283 0.350 10 0 ACAEHO C[C@@H]1CCCN[C@H]1N1CC[NH2+]CC1 238404034 573462320 /nfs/dbraw/zinc/46/23/20/573462320.db2.gz GNKHMLSPZGWAQB-ZJUUUORDSA-N 1 3 183.299 0.237 10 0 ACAEHO NC[C@H](C[NH2+]C1CC1)[C@@H]1CCOC1 258033477 573461498 /nfs/dbraw/zinc/46/14/98/573461498.db2.gz GQESUMYEKRNLEG-RKDXNWHRSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+]C[C@H](CNC1CC1)[C@@H]1CCOC1 258033477 573461503 /nfs/dbraw/zinc/46/15/03/573461503.db2.gz GQESUMYEKRNLEG-RKDXNWHRSA-N 1 3 184.283 0.350 10 0 ACAEHO NC[C@]1([NH2+]C2CCCC2)CCCNC1 257815192 573461883 /nfs/dbraw/zinc/46/18/83/573461883.db2.gz CWEBWNOGONBTFE-LLVKDONJSA-N 1 3 197.326 0.600 10 0 ACAEHO NC[C@]1(NC2CCCC2)CCC[NH2+]C1 257815192 573461890 /nfs/dbraw/zinc/46/18/90/573461890.db2.gz CWEBWNOGONBTFE-LLVKDONJSA-N 1 3 197.326 0.600 10 0 ACAEHO NCC1([C@@H]([NH3+])c2ccccc2)COC1 259457978 573462268 /nfs/dbraw/zinc/46/22/68/573462268.db2.gz ONHUAAQLRPVLSA-JTQLQIEISA-N 1 3 192.262 0.662 10 0 ACAEHO CC(C)[C@H]1C[C@@H]([NH3+])CN1C 107273191 573462469 /nfs/dbraw/zinc/46/24/69/573462469.db2.gz HFLYDSMTBUWDFO-HTQZYQBOSA-N 1 3 142.246 0.674 10 0 ACAEHO CN[C@@H](C)C[C@@H]1CCC[NH2+]1 86494653 573463126 /nfs/dbraw/zinc/46/31/26/573463126.db2.gz LSVMFIQVAIXOBF-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO CC(C)[C@@H]1CCN([C@@H](C[NH3+])CO)C1 130175552 573463208 /nfs/dbraw/zinc/46/32/08/573463208.db2.gz IYNBSYVEMMYABF-ZJUUUORDSA-N 1 3 186.299 0.284 10 0 ACAEHO CC(C)[C@H]1C[C@H]([NH3+])CN1C 107273185 573463244 /nfs/dbraw/zinc/46/32/44/573463244.db2.gz HFLYDSMTBUWDFO-JGVFFNPUSA-N 1 3 142.246 0.674 10 0 ACAEHO CO[C@H](CN[C@@H](C)C1C[NH2+]C1)C1CC1 686245064 573466203 /nfs/dbraw/zinc/46/62/03/573466203.db2.gz OJHOINTYSOIXHC-GZMMTYOYSA-N 1 3 198.310 0.609 10 0 ACAEHO CN[C@H](C)C[C@@H]1CCC[NH2+]1 86494655 573463396 /nfs/dbraw/zinc/46/33/96/573463396.db2.gz LSVMFIQVAIXOBF-SFYZADRCSA-N 1 3 142.246 0.736 10 0 ACAEHO NC[C@@]1([NH2+]C2CCCC2)CCCNC1 257815193 573463619 /nfs/dbraw/zinc/46/36/19/573463619.db2.gz CWEBWNOGONBTFE-NSHDSACASA-N 1 3 197.326 0.600 10 0 ACAEHO NC[C@@]1(NC2CCCC2)CCC[NH2+]C1 257815193 573463628 /nfs/dbraw/zinc/46/36/28/573463628.db2.gz CWEBWNOGONBTFE-NSHDSACASA-N 1 3 197.326 0.600 10 0 ACAEHO NCc1cnn([C@@H]2CCC[NH2+]C2)c1 257814952 573463849 /nfs/dbraw/zinc/46/38/49/573463849.db2.gz CPEPNXKGVMDHMT-SECBINFHSA-N 1 3 180.255 0.266 10 0 ACAEHO COc1cc(C[NH3+])c(F)cc1CN 258035078 573464136 /nfs/dbraw/zinc/46/41/36/573464136.db2.gz PNTMJAOKLZEEMP-UHFFFAOYSA-N 1 3 184.214 0.752 10 0 ACAEHO CO[C@H](CN[C@H](C)C1C[NH2+]C1)C1CC1 686245068 573464193 /nfs/dbraw/zinc/46/41/93/573464193.db2.gz OJHOINTYSOIXHC-LDYMZIIASA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H](C[NH2+][C@H](C)C1CNC1)C1CC1 686245068 573464198 /nfs/dbraw/zinc/46/41/98/573464198.db2.gz OJHOINTYSOIXHC-LDYMZIIASA-N 1 3 198.310 0.609 10 0 ACAEHO CC(C)(CN)[C@@H]([NH3+])c1cc[nH]c1 259463719 573464264 /nfs/dbraw/zinc/46/42/64/573464264.db2.gz REQKNOVOFHHMTF-QMMMGPOBSA-N 1 3 167.256 0.999 10 0 ACAEHO CN[C@@H](C)C[C@H]1CCC[NH2+]1 86494657 573464438 /nfs/dbraw/zinc/46/44/38/573464438.db2.gz LSVMFIQVAIXOBF-JGVFFNPUSA-N 1 3 142.246 0.736 10 0 ACAEHO C[C@@H]1CO[C@H](C2CCN(C)CC2)[NH2+]1 258397130 573464678 /nfs/dbraw/zinc/46/46/78/573464678.db2.gz IDANVRKIWWSNJS-PSASIEDQSA-N 1 3 184.283 0.663 10 0 ACAEHO CC(C)[C@@H]1C[C@@H]([NH3+])CN1C 107273188 573464755 /nfs/dbraw/zinc/46/47/55/573464755.db2.gz HFLYDSMTBUWDFO-SFYZADRCSA-N 1 3 142.246 0.674 10 0 ACAEHO C[C@H](N)c1ccnn1[C@H]1CCC[NH2+]C1 257820633 573465367 /nfs/dbraw/zinc/46/53/67/573465367.db2.gz FSRRZDXPOAEWQC-IUCAKERBSA-N 1 3 194.282 0.827 10 0 ACAEHO C[C@@H](N)c1ccnn1[C@@H]1CCC[NH2+]C1 257820634 573465308 /nfs/dbraw/zinc/46/53/08/573465308.db2.gz FSRRZDXPOAEWQC-RKDXNWHRSA-N 1 3 194.282 0.827 10 0 ACAEHO CO[C@@H](CN[C@H](C)C1C[NH2+]C1)C1CC1 686245065 573465324 /nfs/dbraw/zinc/46/53/24/573465324.db2.gz OJHOINTYSOIXHC-KCJUWKMLSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@@H](C[NH2+][C@H](C)C1CNC1)C1CC1 686245065 573465327 /nfs/dbraw/zinc/46/53/27/573465327.db2.gz OJHOINTYSOIXHC-KCJUWKMLSA-N 1 3 198.310 0.609 10 0 ACAEHO CC(C)[N@@H+]1CC[C@](O)(CN)[C@H]1C 107225675 573465544 /nfs/dbraw/zinc/46/55/44/573465544.db2.gz UGEAQBCZLYUBNB-BDAKNGLRSA-N 1 3 172.272 0.179 10 0 ACAEHO CC(C)[N@H+]1CC[C@](O)(CN)[C@H]1C 107225675 573465547 /nfs/dbraw/zinc/46/55/47/573465547.db2.gz UGEAQBCZLYUBNB-BDAKNGLRSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CO[C@H](C2CCN(C)CC2)[NH2+]1 258397133 573466126 /nfs/dbraw/zinc/46/61/26/573466126.db2.gz IDANVRKIWWSNJS-WCBMZHEXSA-N 1 3 184.283 0.663 10 0 ACAEHO NCc1cnoc1C[C@@H]1CCC[NH2+]C1 258395076 573466195 /nfs/dbraw/zinc/46/61/95/573466195.db2.gz BJUQMYBUJAMVCW-QMMMGPOBSA-N 1 3 195.266 0.675 10 0 ACAEHO CO[C@H](C[NH2+][C@@H](C)C1CNC1)C1CC1 686245064 573466212 /nfs/dbraw/zinc/46/62/12/573466212.db2.gz OJHOINTYSOIXHC-GZMMTYOYSA-N 1 3 198.310 0.609 10 0 ACAEHO CC(C)(CN)[C@H]([NH3+])c1cc[nH]c1 259463718 573466385 /nfs/dbraw/zinc/46/63/85/573466385.db2.gz REQKNOVOFHHMTF-MRVPVSSYSA-N 1 3 167.256 0.999 10 0 ACAEHO NCc1cnoc1C[C@H]1CCC[NH2+]C1 258395075 573466400 /nfs/dbraw/zinc/46/64/00/573466400.db2.gz BJUQMYBUJAMVCW-MRVPVSSYSA-N 1 3 195.266 0.675 10 0 ACAEHO N[C@@H](CC[NH2+]C[C@@H]1CCOC1)C1CC1 130090264 573466525 /nfs/dbraw/zinc/46/65/25/573466525.db2.gz FMLULKNHSZWWKM-ONGXEEELSA-N 1 3 198.310 0.740 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1Cc1oncc1CN 258393207 573466598 /nfs/dbraw/zinc/46/65/98/573466598.db2.gz BGWOJPAJCKOLHZ-SECBINFHSA-N 1 3 195.266 0.770 10 0 ACAEHO C[N@H+]1CCC[C@@H]1Cc1oncc1CN 258393207 573466603 /nfs/dbraw/zinc/46/66/03/573466603.db2.gz BGWOJPAJCKOLHZ-SECBINFHSA-N 1 3 195.266 0.770 10 0 ACAEHO OC[C@]1(C[C@H]2CCC[NH2+]2)CCCCN1 258035028 573466874 /nfs/dbraw/zinc/46/68/74/573466874.db2.gz HOKIWIPJIAAZJS-GHMZBOCLSA-N 1 3 198.310 0.633 10 0 ACAEHO O=C(CN1CCCC1)[C@@H]1CC[NH2+]C1 259463130 573470991 /nfs/dbraw/zinc/47/09/91/573470991.db2.gz WGZKSZAPZBTLCB-SECBINFHSA-N 1 3 182.267 0.261 10 0 ACAEHO CN1CCC[C@@H]1[C@H](F)CC[NH3+] 107282153 573471136 /nfs/dbraw/zinc/47/11/36/573471136.db2.gz MSFAQDCGULUULY-HTQZYQBOSA-N 1 3 160.236 0.768 10 0 ACAEHO C[N@@H+]1CC[C@@H](N)C12CC2 107282216 573471262 /nfs/dbraw/zinc/47/12/62/573471262.db2.gz XVYYTIWEPGURTL-ZCFIWIBFSA-N 1 3 126.203 0.182 10 0 ACAEHO C[N@H+]1CC[C@@H](N)C12CC2 107282216 573471267 /nfs/dbraw/zinc/47/12/67/573471267.db2.gz XVYYTIWEPGURTL-ZCFIWIBFSA-N 1 3 126.203 0.182 10 0 ACAEHO C[NH2+][C@@H](C[C@@H]1CN(C)CCN1)C(C)C 259100515 573471781 /nfs/dbraw/zinc/47/17/81/573471781.db2.gz AHARQHGHTAZOGT-MNOVXSKESA-N 1 3 199.342 0.524 10 0 ACAEHO C[NH+](C)C[C@@H](O)CNCCC(F)F 308391227 573471683 /nfs/dbraw/zinc/47/16/83/573471683.db2.gz YJTPYYMAMUQMPW-ZETCQYMHSA-N 1 3 196.241 0.154 10 0 ACAEHO CC[C@@H](CNC)C[NH2+]CCCOC 258667295 573477317 /nfs/dbraw/zinc/47/73/17/573477317.db2.gz OEYOTLYBMPIDFL-JTQLQIEISA-N 1 3 188.315 0.858 10 0 ACAEHO CC[C@H](CNCCCOC)C[NH2+]C 258667295 573477323 /nfs/dbraw/zinc/47/73/23/573477323.db2.gz OEYOTLYBMPIDFL-JTQLQIEISA-N 1 3 188.315 0.858 10 0 ACAEHO CC[NH2+][C@@H](C)CN(C)[C@H]1CCN(C)C1 308594229 573476096 /nfs/dbraw/zinc/47/60/96/573476096.db2.gz XMXNZJFKQGJKAO-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@@H](C1CNC1)C(C)(C)C 259464721 573476136 /nfs/dbraw/zinc/47/61/36/573476136.db2.gz PSQOKZLJSFPOQI-QMMMGPOBSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+]CC[C@H](C)N(C)[C@@H]1CCN(C)C1 308594058 573477379 /nfs/dbraw/zinc/47/73/79/573477379.db2.gz XJWCFAMSYGHRID-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]CC[C@@H](C)N(C)[C@H]1CCN(C)C1 308594054 573476832 /nfs/dbraw/zinc/47/68/32/573476832.db2.gz XJWCFAMSYGHRID-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](CNC)C[NH2+]CCCOC 258667298 573477045 /nfs/dbraw/zinc/47/70/45/573477045.db2.gz OEYOTLYBMPIDFL-SNVBAGLBSA-N 1 3 188.315 0.858 10 0 ACAEHO CC[C@@H](CNCCCOC)C[NH2+]C 258667298 573477050 /nfs/dbraw/zinc/47/70/50/573477050.db2.gz OEYOTLYBMPIDFL-SNVBAGLBSA-N 1 3 188.315 0.858 10 0 ACAEHO CC[C@@H]([NH3+])C1(CN)CCC1 259467763 573477552 /nfs/dbraw/zinc/47/75/52/573477552.db2.gz OZOWBCGZLZDGAS-SSDOTTSWSA-N 1 3 142.246 0.853 10 0 ACAEHO C[NH2+]CC[C@@H](C)N(C)[C@@H]1CCN(C)C1 308594053 573477972 /nfs/dbraw/zinc/47/79/72/573477972.db2.gz XJWCFAMSYGHRID-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1CC[NH2+]CCCN1CCN(C)C 259468806 573478020 /nfs/dbraw/zinc/47/80/20/573478020.db2.gz QNBZUHFDKAXTQJ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@H]([NH3+])C1(CN)CCC1 259467766 573478085 /nfs/dbraw/zinc/47/80/85/573478085.db2.gz OZOWBCGZLZDGAS-ZETCQYMHSA-N 1 3 142.246 0.853 10 0 ACAEHO C[NH2+]CC[C@H](C)N(C)[C@H]1CCN(C)C1 308594056 573478194 /nfs/dbraw/zinc/47/81/94/573478194.db2.gz XJWCFAMSYGHRID-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1OCC[C@@H]1C[NH2+]C1CCNCC1 235604271 573478372 /nfs/dbraw/zinc/47/83/72/573478372.db2.gz WSBFGSHFRFELHR-NXEZZACHSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CC[NH2+]CCCN1CCN(C)C 259468803 573478963 /nfs/dbraw/zinc/47/89/63/573478963.db2.gz QNBZUHFDKAXTQJ-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO Cc1nc(CCNC[C@H](C)C[NH3+])no1 308595758 573480167 /nfs/dbraw/zinc/48/01/67/573480167.db2.gz YNAHMXKDXMAZCF-SSDOTTSWSA-N 1 3 198.270 0.105 10 0 ACAEHO CC[C@@H](CNCCN(C)C)C[NH2+]C 258676041 573481940 /nfs/dbraw/zinc/48/19/40/573481940.db2.gz OWVVMXBHYUZEEA-SNVBAGLBSA-N 1 3 187.331 0.383 10 0 ACAEHO [NH3+][C@H]1CCNC[C@@H]1CCF 259471515 573482218 /nfs/dbraw/zinc/48/22/18/573482218.db2.gz WQUYSFYTQLXEIM-BQBZGAKWSA-N 1 3 146.209 0.283 10 0 ACAEHO N[C@H]1CC[NH2+]C[C@@H]1CCF 259471515 573482221 /nfs/dbraw/zinc/48/22/21/573482221.db2.gz WQUYSFYTQLXEIM-BQBZGAKWSA-N 1 3 146.209 0.283 10 0 ACAEHO Cc1nc(CCNC[C@@H](C)C[NH3+])no1 308595759 573482359 /nfs/dbraw/zinc/48/23/59/573482359.db2.gz YNAHMXKDXMAZCF-ZETCQYMHSA-N 1 3 198.270 0.105 10 0 ACAEHO NCC1(C[NH+]2CCCC2)COC1 258676062 573483438 /nfs/dbraw/zinc/48/34/38/573483438.db2.gz OXLJTOJSJSBZSB-UHFFFAOYSA-N 1 3 170.256 0.058 10 0 ACAEHO CC(C)[C@@H](N)C1([NH3+])CC1 259471491 573482936 /nfs/dbraw/zinc/48/29/36/573482936.db2.gz PEOZUAURDXLAJI-ZCFIWIBFSA-N 1 3 128.219 0.461 10 0 ACAEHO CC[C@H](C)CN(CC)[C@@H](C[NH3+])CO 130150736 573483057 /nfs/dbraw/zinc/48/30/57/573483057.db2.gz CGEYNHZQIBUDPJ-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CC(C)[C@H](N)C1([NH3+])CC1 259471489 573483222 /nfs/dbraw/zinc/48/32/22/573483222.db2.gz PEOZUAURDXLAJI-LURJTMIESA-N 1 3 128.219 0.461 10 0 ACAEHO C[C@@H]1C[C@@](O)(CN)C(C)(C)[N@@H+]1C 107225622 573483377 /nfs/dbraw/zinc/48/33/77/573483377.db2.gz ADMAZVLHSYQNMY-VXNVDRBHSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]1C[C@@](O)(CN)C(C)(C)[N@H+]1C 107225622 573483382 /nfs/dbraw/zinc/48/33/82/573483382.db2.gz ADMAZVLHSYQNMY-VXNVDRBHSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 308597134 573484998 /nfs/dbraw/zinc/48/49/98/573484998.db2.gz ZJIBUPJLJBDTCQ-FBIMIBRVSA-N 1 3 198.310 0.738 10 0 ACAEHO COCCN1CCC[NH2+]CC[C@H]1C 259470452 573484949 /nfs/dbraw/zinc/48/49/49/573484949.db2.gz QRRXIZMJJWLYBH-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCO[C@H]1C1CC1 308597136 573484466 /nfs/dbraw/zinc/48/44/66/573484466.db2.gz ZJIBUPJLJBDTCQ-MIMYLULJSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H]1CCO[C@H]1C1CC1 308597136 573484472 /nfs/dbraw/zinc/48/44/72/573484472.db2.gz ZJIBUPJLJBDTCQ-MIMYLULJSA-N 1 3 198.310 0.738 10 0 ACAEHO CC[C@H](CNCCN(C)C)C[NH2+]C 258676040 573484619 /nfs/dbraw/zinc/48/46/19/573484619.db2.gz OWVVMXBHYUZEEA-JTQLQIEISA-N 1 3 187.331 0.383 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@H]1CCO[C@@H]1C1CC1 308597134 573485005 /nfs/dbraw/zinc/48/50/05/573485005.db2.gz ZJIBUPJLJBDTCQ-FBIMIBRVSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@@H](NC[C@@]1(C)CCCO1)C1C[NH2+]C1 686254246 573487259 /nfs/dbraw/zinc/48/72/59/573487259.db2.gz MIAHDYMPHKLWKY-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)C1CNC1 686254246 573487264 /nfs/dbraw/zinc/48/72/64/573487264.db2.gz MIAHDYMPHKLWKY-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO CN(C)C/C=C\CC[NH3+] 258040155 573487306 /nfs/dbraw/zinc/48/73/06/573487306.db2.gz CLTFENQMYIXVML-HYXAFXHYSA-N 1 3 128.219 0.453 10 0 ACAEHO C[C@H](NC[C@]1(C)CCCO1)C1C[NH2+]C1 686254247 573487531 /nfs/dbraw/zinc/48/75/31/573487531.db2.gz MIAHDYMPHKLWKY-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]([NH2+]C[C@]1(C)CCCO1)C1CNC1 686254247 573487534 /nfs/dbraw/zinc/48/75/34/573487534.db2.gz MIAHDYMPHKLWKY-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO COCCN1CCC[NH2+]CC[C@@H]1C 259470450 573487558 /nfs/dbraw/zinc/48/75/58/573487558.db2.gz QRRXIZMJJWLYBH-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C[N@@H+]1CCC[C@@H](NCCO)CC1 83418008 573487568 /nfs/dbraw/zinc/48/75/68/573487568.db2.gz ZJLWWYOQOHLHIM-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[N@H+]1CCC[C@@H](NCCO)CC1 83418008 573487573 /nfs/dbraw/zinc/48/75/73/573487573.db2.gz ZJLWWYOQOHLHIM-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CN1CC[C@H](N[C@H]2C[NH2+]C(C)(C)C2)C1 258679755 573487654 /nfs/dbraw/zinc/48/76/54/573487654.db2.gz CSMKUSKBTQKPHU-VHSXEESVSA-N 1 3 197.326 0.421 10 0 ACAEHO CN1CC[C@@H](N[C@H]2C[NH2+]C(C)(C)C2)C1 258679747 573487898 /nfs/dbraw/zinc/48/78/98/573487898.db2.gz CSMKUSKBTQKPHU-NXEZZACHSA-N 1 3 197.326 0.421 10 0 ACAEHO C[C@@H](NC[C@]1(C)CCCO1)C1C[NH2+]C1 686254243 573487974 /nfs/dbraw/zinc/48/79/74/573487974.db2.gz MIAHDYMPHKLWKY-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]([NH2+]C[C@]1(C)CCCO1)C1CNC1 686254243 573487980 /nfs/dbraw/zinc/48/79/80/573487980.db2.gz MIAHDYMPHKLWKY-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO NCc1ccnn1[C@@H]1CCC[NH2+]C1 257820220 573488024 /nfs/dbraw/zinc/48/80/24/573488024.db2.gz FPEKCCATDWHPHF-SECBINFHSA-N 1 3 180.255 0.266 10 0 ACAEHO C[N@@H+]1CCC[C@H](NCCO)CC1 83418005 573488127 /nfs/dbraw/zinc/48/81/27/573488127.db2.gz ZJLWWYOQOHLHIM-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[N@H+]1CCC[C@H](NCCO)CC1 83418005 573488133 /nfs/dbraw/zinc/48/81/33/573488133.db2.gz ZJLWWYOQOHLHIM-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO [NH3+]CCCc1cnn([C@@H]2CCCN2)c1 257820034 573488586 /nfs/dbraw/zinc/48/85/86/573488586.db2.gz FNXNKAXVBMSPQV-SNVBAGLBSA-N 1 3 194.282 0.656 10 0 ACAEHO COCCN[C@H]1CCC[N@H+](C)CC1 83417701 573488715 /nfs/dbraw/zinc/48/87/15/573488715.db2.gz YDDBIBCYCLLRTL-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO COCCN[C@H]1CCC[N@@H+](C)CC1 83417701 573488721 /nfs/dbraw/zinc/48/87/21/573488721.db2.gz YDDBIBCYCLLRTL-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CN1CC[C@@H](N[C@@H]2C[NH2+]C(C)(C)C2)C1 258679759 573489320 /nfs/dbraw/zinc/48/93/20/573489320.db2.gz CSMKUSKBTQKPHU-ZJUUUORDSA-N 1 3 197.326 0.421 10 0 ACAEHO [NH3+]CCCc1cnn([C@H]2CCCN2)c1 257820032 573489374 /nfs/dbraw/zinc/48/93/74/573489374.db2.gz FNXNKAXVBMSPQV-JTQLQIEISA-N 1 3 194.282 0.656 10 0 ACAEHO CCC[C@H](C[C@@H]1CN(C)CCN1)[NH2+]C 259474933 573489587 /nfs/dbraw/zinc/48/95/87/573489587.db2.gz QIISTAODKVVUIG-GHMZBOCLSA-N 1 3 199.342 0.668 10 0 ACAEHO CCC[C@H](O)CN[C@H](C)C1C[NH2+]C1 686245341 573490469 /nfs/dbraw/zinc/49/04/69/573490469.db2.gz SMYYPDPWFKVIRM-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC[C@H](O)C[NH2+][C@H](C)C1CNC1 686245341 573490473 /nfs/dbraw/zinc/49/04/73/573490473.db2.gz SMYYPDPWFKVIRM-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC[C@H](O)CN[C@@H](C)C1C[NH2+]C1 686245346 573489980 /nfs/dbraw/zinc/48/99/80/573489980.db2.gz SMYYPDPWFKVIRM-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC[C@H](O)C[NH2+][C@@H](C)C1CNC1 686245346 573489989 /nfs/dbraw/zinc/48/99/89/573489989.db2.gz SMYYPDPWFKVIRM-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO COC(C)(C)CN[C@H](C)C1C[NH2+]C1 686245168 573490197 /nfs/dbraw/zinc/49/01/97/573490197.db2.gz RMWPEJOYXJSBHJ-MRVPVSSYSA-N 1 3 186.299 0.609 10 0 ACAEHO COC(C)(C)C[NH2+][C@H](C)C1CNC1 686245168 573490203 /nfs/dbraw/zinc/49/02/03/573490203.db2.gz RMWPEJOYXJSBHJ-MRVPVSSYSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H](NC[C@@]1(C)CCCO1)C1C[NH2+]C1 686254242 573490356 /nfs/dbraw/zinc/49/03/56/573490356.db2.gz MIAHDYMPHKLWKY-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]([NH2+]C[C@@]1(C)CCCO1)C1CNC1 686254242 573490361 /nfs/dbraw/zinc/49/03/61/573490361.db2.gz MIAHDYMPHKLWKY-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO CCC[C@@H](O)CN[C@@H](C)C1C[NH2+]C1 686245344 573491492 /nfs/dbraw/zinc/49/14/92/573491492.db2.gz SMYYPDPWFKVIRM-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC[C@@H](O)C[NH2+][C@@H](C)C1CNC1 686245344 573491497 /nfs/dbraw/zinc/49/14/97/573491497.db2.gz SMYYPDPWFKVIRM-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]([NH2+]C[C@H]1[C@@H]2COC[C@H]12)C1CNC1 686245355 573492263 /nfs/dbraw/zinc/49/22/63/573492263.db2.gz SULRYQRPJWLGAA-WKJUBOCMSA-N 1 3 196.294 0.076 10 0 ACAEHO C[NH2+]CC1(CNCCOC)CCC1 258691246 573492036 /nfs/dbraw/zinc/49/20/36/573492036.db2.gz QINLQCTXBUSQTF-UHFFFAOYSA-N 1 3 186.299 0.612 10 0 ACAEHO CN1CC[NH+]=C1NC[C@@H]1CCCCN1 258042272 573492498 /nfs/dbraw/zinc/49/24/98/573492498.db2.gz JHKRDFWYHUKFQB-VIFPVBQESA-N 1 3 196.298 0.020 10 0 ACAEHO CC[C@H](O)CCN[C@H](C)C1C[NH2+]C1 686245503 573492520 /nfs/dbraw/zinc/49/25/20/573492520.db2.gz XDSUYBCWTYPKMT-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](O)CC[NH2+][C@H](C)C1CNC1 686245503 573492526 /nfs/dbraw/zinc/49/25/26/573492526.db2.gz XDSUYBCWTYPKMT-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC[C@@H](C[C@@H]1CN(C)CCN1)[NH2+]C 259474943 573492544 /nfs/dbraw/zinc/49/25/44/573492544.db2.gz QIISTAODKVVUIG-WDEREUQCSA-N 1 3 199.342 0.668 10 0 ACAEHO CC[C@H](O)CCN[C@@H](C)C1C[NH2+]C1 686245505 573492647 /nfs/dbraw/zinc/49/26/47/573492647.db2.gz XDSUYBCWTYPKMT-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](O)CC[NH2+][C@@H](C)C1CNC1 686245505 573492648 /nfs/dbraw/zinc/49/26/48/573492648.db2.gz XDSUYBCWTYPKMT-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)[NH2+][C@@H](C)C1CNC1 686245306 573492772 /nfs/dbraw/zinc/49/27/72/573492772.db2.gz RXLPACDFVWUQTD-ZETCQYMHSA-N 1 3 142.246 0.592 10 0 ACAEHO NC1CC[NH+]([C@@H]2CCCOCC2)CC1 83426301 573493225 /nfs/dbraw/zinc/49/32/25/573493225.db2.gz FKKYEXOXUFOOCZ-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]C1CCN([C@@H]2CCCOCC2)CC1 83426301 573493228 /nfs/dbraw/zinc/49/32/28/573493228.db2.gz FKKYEXOXUFOOCZ-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO C[NH2+]CC[C@H](C)NCCOC(C)C 323165175 573493269 /nfs/dbraw/zinc/49/32/69/573493269.db2.gz UEZMKBVSULWJKC-JTQLQIEISA-N 1 3 188.315 0.999 10 0 ACAEHO C[C@@H](C1CC1)N1CCO[C@H](CC[NH3+])C1 308397362 573493479 /nfs/dbraw/zinc/49/34/79/573493479.db2.gz RRVOPKPLVSAUFG-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1[C@@H]2COC[C@H]12)C1CNC1 686245347 573493402 /nfs/dbraw/zinc/49/34/02/573493402.db2.gz SULRYQRPJWLGAA-DMLMCSCLSA-N 1 3 196.294 0.076 10 0 ACAEHO NC1CC[NH+]([C@H]2CCCOCC2)CC1 83426300 573493460 /nfs/dbraw/zinc/49/34/60/573493460.db2.gz FKKYEXOXUFOOCZ-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]C1CCN([C@H]2CCCOCC2)CC1 83426300 573493463 /nfs/dbraw/zinc/49/34/63/573493463.db2.gz FKKYEXOXUFOOCZ-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)[C@H]1CCN(C)C1 258692483 573494748 /nfs/dbraw/zinc/49/47/48/573494748.db2.gz FYCPLFKEEVLGCK-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CNc1cc(N[C@@H](C)C[NH3+])nc(C)n1 258691681 573496519 /nfs/dbraw/zinc/49/65/19/573496519.db2.gz JSJYAGCEZFSWPU-LURJTMIESA-N 1 3 195.270 0.586 10 0 ACAEHO COC[C@@H]1CCC[N@@H+]1[C@H](C)C1CNC1 686254684 573496603 /nfs/dbraw/zinc/49/66/03/573496603.db2.gz XNAORGUDSGFISI-KOLCDFICSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@@H]1CCC[N@H+]1[C@H](C)C1CNC1 686254684 573496608 /nfs/dbraw/zinc/49/66/08/573496608.db2.gz XNAORGUDSGFISI-KOLCDFICSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@@H]1CCCN1[C@H](C)C1C[NH2+]C1 686254684 573496613 /nfs/dbraw/zinc/49/66/13/573496613.db2.gz XNAORGUDSGFISI-KOLCDFICSA-N 1 3 198.310 0.705 10 0 ACAEHO C1CC(N2CC[C@H]3C[NH2+]C[C@@H]32)CCO1 686245395 573496725 /nfs/dbraw/zinc/49/67/25/573496725.db2.gz UZQGOBGINBICDJ-ONGXEEELSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CC([N@@H+]2CC[C@H]3CNC[C@@H]32)CCO1 686245395 573496732 /nfs/dbraw/zinc/49/67/32/573496732.db2.gz UZQGOBGINBICDJ-ONGXEEELSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CC([N@H+]2CC[C@H]3CNC[C@@H]32)CCO1 686245395 573496737 /nfs/dbraw/zinc/49/67/37/573496737.db2.gz UZQGOBGINBICDJ-ONGXEEELSA-N 1 3 196.294 0.459 10 0 ACAEHO COCC[N@@H+]1CCC[C@@H](N)C1(C)C 259474561 573496805 /nfs/dbraw/zinc/49/68/05/573496805.db2.gz QZFZTXUEFSIYCL-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[N@H+]1CCC[C@@H](N)C1(C)C 259474561 573496809 /nfs/dbraw/zinc/49/68/09/573496809.db2.gz QZFZTXUEFSIYCL-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COC[C@@H]1CCC[N@@H+]1[C@@H](C)C1CNC1 686254699 573496990 /nfs/dbraw/zinc/49/69/90/573496990.db2.gz XNAORGUDSGFISI-ONGXEEELSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@@H]1CCC[N@H+]1[C@@H](C)C1CNC1 686254699 573496991 /nfs/dbraw/zinc/49/69/91/573496991.db2.gz XNAORGUDSGFISI-ONGXEEELSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@@H]1CCCN1[C@@H](C)C1C[NH2+]C1 686254699 573496997 /nfs/dbraw/zinc/49/69/97/573496997.db2.gz XNAORGUDSGFISI-ONGXEEELSA-N 1 3 198.310 0.705 10 0 ACAEHO CNc1cc(NC[C@@H](C)[NH3+])nc(C)n1 258704062 573497313 /nfs/dbraw/zinc/49/73/13/573497313.db2.gz KQLURDDIJSJTOC-ZCFIWIBFSA-N 1 3 195.270 0.586 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1NCCOC1CC1 714960333 573497469 /nfs/dbraw/zinc/49/74/69/573497469.db2.gz JXUYFKPXAWVLTC-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]CCOC1CC1 714960333 573497473 /nfs/dbraw/zinc/49/74/73/573497473.db2.gz JXUYFKPXAWVLTC-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@H]1CCC[N@@H+]1[C@H](C)C1CNC1 686254696 573497476 /nfs/dbraw/zinc/49/74/76/573497476.db2.gz XNAORGUDSGFISI-MWLCHTKSSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@H]1CCC[N@H+]1[C@H](C)C1CNC1 686254696 573497482 /nfs/dbraw/zinc/49/74/82/573497482.db2.gz XNAORGUDSGFISI-MWLCHTKSSA-N 1 3 198.310 0.705 10 0 ACAEHO COC[C@H]1CCCN1[C@H](C)C1C[NH2+]C1 686254696 573497485 /nfs/dbraw/zinc/49/74/85/573497485.db2.gz XNAORGUDSGFISI-MWLCHTKSSA-N 1 3 198.310 0.705 10 0 ACAEHO C[NH2+]C[C@@H](CN)C1CCCC1 258047674 573498101 /nfs/dbraw/zinc/49/81/01/573498101.db2.gz BJCPPHACLWPCCW-SECBINFHSA-N 1 3 156.273 0.971 10 0 ACAEHO CN1CCC([C@]2(C)[NH2+]CCO2)CC1 258704673 573497840 /nfs/dbraw/zinc/49/78/40/573497840.db2.gz USKHNIVSDWXKTM-SNVBAGLBSA-N 1 3 184.283 0.664 10 0 ACAEHO COCC[N@@H+]1CCC[C@H](N)C1(C)C 259474564 573497878 /nfs/dbraw/zinc/49/78/78/573497878.db2.gz QZFZTXUEFSIYCL-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[N@H+]1CCC[C@H](N)C1(C)C 259474564 573497883 /nfs/dbraw/zinc/49/78/83/573497883.db2.gz QZFZTXUEFSIYCL-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C1CC(N2CC[C@@H]3C[NH2+]C[C@H]32)CCO1 686245391 573498602 /nfs/dbraw/zinc/49/86/02/573498602.db2.gz UZQGOBGINBICDJ-MWLCHTKSSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CC([N@@H+]2CC[C@@H]3CNC[C@H]32)CCO1 686245391 573498610 /nfs/dbraw/zinc/49/86/10/573498610.db2.gz UZQGOBGINBICDJ-MWLCHTKSSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CC([N@H+]2CC[C@@H]3CNC[C@H]32)CCO1 686245391 573498617 /nfs/dbraw/zinc/49/86/17/573498617.db2.gz UZQGOBGINBICDJ-MWLCHTKSSA-N 1 3 196.294 0.459 10 0 ACAEHO C/C=C/CN1CCC([C@@H](O)C[NH3+])CC1 308398658 573498801 /nfs/dbraw/zinc/49/88/01/573498801.db2.gz TZLRRBBUHOUGDI-VUDBWIFFSA-N 1 3 198.310 0.594 10 0 ACAEHO C1CC(N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 686245390 573499457 /nfs/dbraw/zinc/49/94/57/573499457.db2.gz UZQGOBGINBICDJ-KOLCDFICSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CC([N@@H+]2CC[C@@H]3CNC[C@@H]32)CCO1 686245390 573499463 /nfs/dbraw/zinc/49/94/63/573499463.db2.gz UZQGOBGINBICDJ-KOLCDFICSA-N 1 3 196.294 0.459 10 0 ACAEHO C1CC([N@H+]2CC[C@@H]3CNC[C@@H]32)CCO1 686245390 573499469 /nfs/dbraw/zinc/49/94/69/573499469.db2.gz UZQGOBGINBICDJ-KOLCDFICSA-N 1 3 196.294 0.459 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C[C@@H](CC)OC 308398867 573502749 /nfs/dbraw/zinc/50/27/49/573502749.db2.gz GXZHHXBXHPSFCN-VHSXEESVSA-N 1 3 188.315 0.986 10 0 ACAEHO CC[C@@H](C[NH3+])CNC[C@@H](CC)OC 308398867 573502754 /nfs/dbraw/zinc/50/27/54/573502754.db2.gz GXZHHXBXHPSFCN-VHSXEESVSA-N 1 3 188.315 0.986 10 0 ACAEHO CN1CCC([C@@]2(C)[NH2+]CCO2)CC1 258704662 573501421 /nfs/dbraw/zinc/50/14/21/573501421.db2.gz USKHNIVSDWXKTM-JTQLQIEISA-N 1 3 184.283 0.664 10 0 ACAEHO CC[C@@H](CNC1CC1)C[NH2+]C 258697465 573501592 /nfs/dbraw/zinc/50/15/92/573501592.db2.gz QZZWXVVVEPYMGO-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@H](CNC1CC1)C[NH2+]C 258697466 573501699 /nfs/dbraw/zinc/50/16/99/573501699.db2.gz QZZWXVVVEPYMGO-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO CCN(CC)CC(C)(C)[NH2+]CCN 308609282 573501742 /nfs/dbraw/zinc/50/17/42/573501742.db2.gz QSTPDJKLTOKBAF-UHFFFAOYSA-N 1 3 187.331 0.655 10 0 ACAEHO C[NH+](C)C[C@H](CN)c1cccc(O)c1 258047525 573501886 /nfs/dbraw/zinc/50/18/86/573501886.db2.gz HKJZGEJLSQLHSA-JTQLQIEISA-N 1 3 194.278 0.996 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1NCCOC1CC1 714960332 573501976 /nfs/dbraw/zinc/50/19/76/573501976.db2.gz JXUYFKPXAWVLTC-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]CCOC1CC1 714960332 573501980 /nfs/dbraw/zinc/50/19/80/573501980.db2.gz JXUYFKPXAWVLTC-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]([NH+](C)C)C(C)(C)N 259110237 573502252 /nfs/dbraw/zinc/50/22/52/573502252.db2.gz FHBDSHVVOHFBPI-ZCFIWIBFSA-N 1 3 130.235 0.674 10 0 ACAEHO C[C@H]([NH3+])CC(=O)C1CCN(C)CC1 259110107 573502552 /nfs/dbraw/zinc/50/25/52/573502552.db2.gz HSKLDKKCJZYZFB-QMMMGPOBSA-N 1 3 184.283 0.635 10 0 ACAEHO COCCC[NH2+]CC(C)(C)CN 258713091 573504776 /nfs/dbraw/zinc/50/47/76/573504776.db2.gz LBGXYKRSASUMCO-UHFFFAOYSA-N 1 3 174.288 0.597 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@H]2CC[N@H+](C)C2)O1 258712918 573504077 /nfs/dbraw/zinc/50/40/77/573504077.db2.gz VAIHAYXRMNDDAB-OPRDCNLKSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@H]2CC[N@@H+](C)C2)O1 258712918 573504081 /nfs/dbraw/zinc/50/40/81/573504081.db2.gz VAIHAYXRMNDDAB-OPRDCNLKSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H](C[C@H]1CNCCO1)[NH+](C)C 259477857 573504128 /nfs/dbraw/zinc/50/41/28/573504128.db2.gz KNLDQBJMCYYNAX-IUCAKERBSA-N 1 3 172.272 0.315 10 0 ACAEHO COCCN1CC=C(C[NH3+])CC1 259109142 573504176 /nfs/dbraw/zinc/50/41/76/573504176.db2.gz GDPBJYZKYJXYAE-UHFFFAOYSA-N 1 3 170.256 0.224 10 0 ACAEHO C[C@H]([NH3+])CCNCc1ccc[nH]1 258711214 573504203 /nfs/dbraw/zinc/50/42/03/573504203.db2.gz HVRIIXMHVISKLK-QMMMGPOBSA-N 1 3 167.256 0.842 10 0 ACAEHO C[NH2+]C[C@H](CNCCOC)C(C)C 258707421 573504466 /nfs/dbraw/zinc/50/44/66/573504466.db2.gz SBJOTHPQHRFNLZ-SNVBAGLBSA-N 1 3 188.315 0.714 10 0 ACAEHO C[NH2+][C@H](C[C@H](C)N)C(C)C 259480872 573504487 /nfs/dbraw/zinc/50/44/87/573504487.db2.gz PSLDYINIRUQPNI-JGVFFNPUSA-N 1 3 144.262 0.968 10 0 ACAEHO C[C@H]([NH2+]CC1(CCO)CC1)C1CNC1 686254263 573505790 /nfs/dbraw/zinc/50/57/90/573505790.db2.gz MSXALZLSPCPNLU-VIFPVBQESA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@H](CN)C[NH2+]C1CCOCC1 258716504 573505903 /nfs/dbraw/zinc/50/59/03/573505903.db2.gz IMPUCCJUJMALOH-MRVPVSSYSA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@H](NCC1(CCO)CC1)C1C[NH2+]C1 686254263 573505784 /nfs/dbraw/zinc/50/57/84/573505784.db2.gz MSXALZLSPCPNLU-VIFPVBQESA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@@H]1CCN(C)C1 258728761 573509878 /nfs/dbraw/zinc/50/98/78/573509878.db2.gz JRTUFQLJRBFYCH-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@@H](NCC1(CCO)CC1)C1C[NH2+]C1 686254261 573507546 /nfs/dbraw/zinc/50/75/46/573507546.db2.gz MSXALZLSPCPNLU-SECBINFHSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H]([NH2+]CC1(CCO)CC1)C1CNC1 686254261 573507554 /nfs/dbraw/zinc/50/75/54/573507554.db2.gz MSXALZLSPCPNLU-SECBINFHSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H](N)CC[NH2+]CC1CCOCC1 258716518 573507785 /nfs/dbraw/zinc/50/77/85/573507785.db2.gz IMWAMDALMJYVQX-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO O[C@@H](C[NH+]1CCCCC1)[C@H]1CCN1 259482195 573509543 /nfs/dbraw/zinc/50/95/43/573509543.db2.gz XKARHPCXJVQIHV-ZJUUUORDSA-N 1 3 184.283 0.195 10 0 ACAEHO NC[C@]12CCC[C@@H]1C[N@H+](CCCO)C2 308610453 573509649 /nfs/dbraw/zinc/50/96/49/573509649.db2.gz LXILIXKYPUFPSI-MNOVXSKESA-N 1 3 198.310 0.430 10 0 ACAEHO NC[C@]12CCC[C@@H]1C[N@@H+](CCCO)C2 308610453 573509653 /nfs/dbraw/zinc/50/96/53/573509653.db2.gz LXILIXKYPUFPSI-MNOVXSKESA-N 1 3 198.310 0.430 10 0 ACAEHO CN(C)CCNCC[C@H]1CCC[NH2+]1 258728880 573509684 /nfs/dbraw/zinc/50/96/84/573509684.db2.gz MFOBKVPOMKNTRM-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CNCc1ccnn1[C@H]1CCC[NH2+]C1 257821926 573509746 /nfs/dbraw/zinc/50/97/46/573509746.db2.gz GDPBADNLMHLERK-VIFPVBQESA-N 1 3 194.282 0.527 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)C1 86601140 573509893 /nfs/dbraw/zinc/50/98/93/573509893.db2.gz HWVKGQHIDPSWBC-NXEZZACHSA-N 1 3 196.294 0.779 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@@H]2CCCC(=O)C2)C1 86601140 573509897 /nfs/dbraw/zinc/50/98/97/573509897.db2.gz HWVKGQHIDPSWBC-NXEZZACHSA-N 1 3 196.294 0.779 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@@H]2CCCC(=O)C2)C1 86601140 573509903 /nfs/dbraw/zinc/50/99/03/573509903.db2.gz HWVKGQHIDPSWBC-NXEZZACHSA-N 1 3 196.294 0.779 10 0 ACAEHO CN(C)CCNCC[C@@H]1CCC[NH2+]1 258728879 573510026 /nfs/dbraw/zinc/51/00/26/573510026.db2.gz MFOBKVPOMKNTRM-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO C[C@@H](C[NH3+])NCC(C)(C)C(C)(C)O 393639522 573510051 /nfs/dbraw/zinc/51/00/51/573510051.db2.gz SHJHKHPWGQDUGH-QMMMGPOBSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@@H]([NH2+]CC1CC1)C1CNC1 686245885 573510164 /nfs/dbraw/zinc/51/01/64/573510164.db2.gz OYOFYGHTMHESGH-SSDOTTSWSA-N 1 3 154.257 0.594 10 0 ACAEHO O[C@H](C[NH+]1CCCCC1)[C@H]1CCN1 259482141 573510205 /nfs/dbraw/zinc/51/02/05/573510205.db2.gz XKARHPCXJVQIHV-NXEZZACHSA-N 1 3 184.283 0.195 10 0 ACAEHO CNCC1=CC[N@@H+](C(C)C)C1 258050732 573510297 /nfs/dbraw/zinc/51/02/97/573510297.db2.gz LCEXOEDZUDPADU-UHFFFAOYSA-N 1 3 154.257 0.856 10 0 ACAEHO CNCC1=CC[N@H+](C(C)C)C1 258050732 573510301 /nfs/dbraw/zinc/51/03/01/573510301.db2.gz LCEXOEDZUDPADU-UHFFFAOYSA-N 1 3 154.257 0.856 10 0 ACAEHO COCCC[NH2+]C[C@H](C)CN 258725682 573510314 /nfs/dbraw/zinc/51/03/14/573510314.db2.gz MDLRKWPJEXCEIF-MRVPVSSYSA-N 1 3 160.261 0.207 10 0 ACAEHO CO[C@@H]1C[C@@H]([N@H+](C)CCN)C12CCC2 308396400 573510469 /nfs/dbraw/zinc/51/04/69/573510469.db2.gz QDGVDSHRDMJXDN-NXEZZACHSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1C[C@@H]([N@@H+](C)CCN)C12CCC2 308396400 573510478 /nfs/dbraw/zinc/51/04/78/573510478.db2.gz QDGVDSHRDMJXDN-NXEZZACHSA-N 1 3 198.310 0.835 10 0 ACAEHO CC(C)[NH2+]CC[C@@H]1CN(C)CCN1 258725919 573511885 /nfs/dbraw/zinc/51/18/85/573511885.db2.gz USNCZVJJDTWCPV-SNVBAGLBSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H]([NH2+]CC1CC1)C1CNC1 686245886 573511182 /nfs/dbraw/zinc/51/11/82/573511182.db2.gz OYOFYGHTMHESGH-ZETCQYMHSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]([NH3+])CCN[C@H]1CCN(C)C1 258728759 573511243 /nfs/dbraw/zinc/51/12/43/573511243.db2.gz JRTUFQLJRBFYCH-IUCAKERBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCCn1ccnc1 308602154 573511359 /nfs/dbraw/zinc/51/13/59/573511359.db2.gz DOWGYNNAEXKVFC-JTQLQIEISA-N 1 3 196.298 0.458 10 0 ACAEHO C[C@H](O)[C@@H](N)[C@H]1CCC[N@H+](C)C1 259480458 573511375 /nfs/dbraw/zinc/51/13/75/573511375.db2.gz YDBMWZBESFSWAZ-XHNCKOQMSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)[C@@H](N)[C@H]1CCC[N@@H+](C)C1 259480458 573511383 /nfs/dbraw/zinc/51/13/83/573511383.db2.gz YDBMWZBESFSWAZ-XHNCKOQMSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]([NH3+])CCN[C@@H]1CCN(C)C1 258728757 573511424 /nfs/dbraw/zinc/51/14/24/573511424.db2.gz JRTUFQLJRBFYCH-DTWKUNHWSA-N 1 3 171.288 0.017 10 0 ACAEHO C1CCC(NCN2CC[NH2+]CC2)C1 258728205 573511562 /nfs/dbraw/zinc/51/15/62/573511562.db2.gz UXOZBLUGXONCAM-UHFFFAOYSA-N 1 3 183.299 0.381 10 0 ACAEHO C[C@H](C[NH3+])NCC(C)(C)C(C)(C)O 393639521 573511761 /nfs/dbraw/zinc/51/17/61/573511761.db2.gz SHJHKHPWGQDUGH-MRVPVSSYSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@H](O)[C@H](N)[C@@H]1CCC[N@H+](C)C1 259480459 573512347 /nfs/dbraw/zinc/51/23/47/573512347.db2.gz YDBMWZBESFSWAZ-YIZRAAEISA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)[C@H](N)[C@@H]1CCC[N@@H+](C)C1 259480459 573512351 /nfs/dbraw/zinc/51/23/51/573512351.db2.gz YDBMWZBESFSWAZ-YIZRAAEISA-N 1 3 172.272 0.036 10 0 ACAEHO CNCC1(C[NH2+]C)CC1 258719497 573512778 /nfs/dbraw/zinc/51/27/78/573512778.db2.gz TYMFRDPRJLBVCU-UHFFFAOYSA-N 1 3 128.219 0.205 10 0 ACAEHO CN(C)CCNCC1(C[NH3+])CCC1 258729987 573512875 /nfs/dbraw/zinc/51/28/75/573512875.db2.gz VCRBTHNQYUBPEI-UHFFFAOYSA-N 1 3 185.315 0.267 10 0 ACAEHO O[C@H](C[NH+]1CCCCC1)[C@@H]1CCN1 259482180 573513378 /nfs/dbraw/zinc/51/33/78/573513378.db2.gz XKARHPCXJVQIHV-VHSXEESVSA-N 1 3 184.283 0.195 10 0 ACAEHO C[C@@H]1CCC[C@H]2CN(CC[NH3+])CCN21 238422605 573513501 /nfs/dbraw/zinc/51/35/01/573513501.db2.gz RUZQGHQKRCAVFF-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO Cc1nc(N)[nH]c1C(C)(C)[NH3+] 259482112 573513732 /nfs/dbraw/zinc/51/37/32/573513732.db2.gz XJVWUCITOKCABQ-UHFFFAOYSA-N 1 3 154.217 0.494 10 0 ACAEHO O[C@@H](C[NH+]1CCCCC1)[C@@H]1CCN1 259482154 573513576 /nfs/dbraw/zinc/51/35/76/573513576.db2.gz XKARHPCXJVQIHV-UWVGGRQHSA-N 1 3 184.283 0.195 10 0 ACAEHO CO[C@H]1C[C@H]([N@H+](C)CCN)C12CCC2 308396401 573513590 /nfs/dbraw/zinc/51/35/90/573513590.db2.gz QDGVDSHRDMJXDN-UWVGGRQHSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1C[C@H]([N@@H+](C)CCN)C12CCC2 308396401 573513607 /nfs/dbraw/zinc/51/36/07/573513607.db2.gz QDGVDSHRDMJXDN-UWVGGRQHSA-N 1 3 198.310 0.835 10 0 ACAEHO NC[C@@]12CCC[C@@H]1C[N@H+](CCCO)C2 308610449 573513703 /nfs/dbraw/zinc/51/37/03/573513703.db2.gz LXILIXKYPUFPSI-GHMZBOCLSA-N 1 3 198.310 0.430 10 0 ACAEHO NC[C@@]12CCC[C@@H]1C[N@@H+](CCCO)C2 308610449 573513712 /nfs/dbraw/zinc/51/37/12/573513712.db2.gz LXILIXKYPUFPSI-GHMZBOCLSA-N 1 3 198.310 0.430 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 86601139 573515004 /nfs/dbraw/zinc/51/50/04/573515004.db2.gz HWVKGQHIDPSWBC-ZJUUUORDSA-N 1 3 196.294 0.779 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@H]2CCCC(=O)C2)C1 86601139 573515009 /nfs/dbraw/zinc/51/50/09/573515009.db2.gz HWVKGQHIDPSWBC-ZJUUUORDSA-N 1 3 196.294 0.779 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@H]2CCCC(=O)C2)C1 86601139 573515014 /nfs/dbraw/zinc/51/50/14/573515014.db2.gz HWVKGQHIDPSWBC-ZJUUUORDSA-N 1 3 196.294 0.779 10 0 ACAEHO CCOC1(CC[NH3+])CCN(C)CC1 257822673 573515412 /nfs/dbraw/zinc/51/54/12/573515412.db2.gz GDNBGKJMIWRVTF-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@H]([NH3+])CN1CC[C@@H]2CC[C@@H]21 238422096 573515597 /nfs/dbraw/zinc/51/55/97/573515597.db2.gz RSWNDUIHXQAUDW-CIUDSAMLSA-N 1 3 154.257 0.818 10 0 ACAEHO OC1(C[NH2+]C2CCNCC2)CCCC1 83463975 573515870 /nfs/dbraw/zinc/51/58/70/573515870.db2.gz XXWYJQFIHVQEDX-UHFFFAOYSA-N 1 3 198.310 0.633 10 0 ACAEHO OC1(CNC2CC[NH2+]CC2)CCCC1 83463975 573515874 /nfs/dbraw/zinc/51/58/74/573515874.db2.gz XXWYJQFIHVQEDX-UHFFFAOYSA-N 1 3 198.310 0.633 10 0 ACAEHO C[C@@H](N[C@H]1C[C@H]1C)C1C[NH2+]C1 686245914 573516038 /nfs/dbraw/zinc/51/60/38/573516038.db2.gz RBHRRFWTIFOCRW-BHNWBGBOSA-N 1 3 154.257 0.592 10 0 ACAEHO C[C@@H]([NH2+][C@H]1C[C@H]1C)C1CNC1 686245914 573516044 /nfs/dbraw/zinc/51/60/44/573516044.db2.gz RBHRRFWTIFOCRW-BHNWBGBOSA-N 1 3 154.257 0.592 10 0 ACAEHO C[C@H](N[C@H]1C[C@H]1C)C1C[NH2+]C1 686245916 573516120 /nfs/dbraw/zinc/51/61/20/573516120.db2.gz RBHRRFWTIFOCRW-FJXKBIBVSA-N 1 3 154.257 0.592 10 0 ACAEHO C[C@H]([NH2+][C@H]1C[C@H]1C)C1CNC1 686245916 573516123 /nfs/dbraw/zinc/51/61/23/573516123.db2.gz RBHRRFWTIFOCRW-FJXKBIBVSA-N 1 3 154.257 0.592 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CCC[C@@H](CO)C1 238423135 573516238 /nfs/dbraw/zinc/51/62/38/573516238.db2.gz YYLCATIDHWTJSX-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](N)C[N@H+]1CCC[C@@H](CO)C1 238423135 573516243 /nfs/dbraw/zinc/51/62/43/573516243.db2.gz YYLCATIDHWTJSX-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO N[C@]1(CO)CCC[C@H]([NH+]2CCCC2)C1 86617003 573516256 /nfs/dbraw/zinc/51/62/56/573516256.db2.gz PBUCRTDXUMWTGU-WDEREUQCSA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@]1(CO)CCC[C@H](N2CCCC2)C1 86617003 573516257 /nfs/dbraw/zinc/51/62/57/573516257.db2.gz PBUCRTDXUMWTGU-WDEREUQCSA-N 1 3 198.310 0.715 10 0 ACAEHO CC(C)(O)C[NH2+]C1CCNCC1 83461219 573516327 /nfs/dbraw/zinc/51/63/27/573516327.db2.gz RPQWZVCDSARUQD-UHFFFAOYSA-N 1 3 172.272 0.099 10 0 ACAEHO CC(C)(O)CNC1CC[NH2+]CC1 83461219 573516331 /nfs/dbraw/zinc/51/63/31/573516331.db2.gz RPQWZVCDSARUQD-UHFFFAOYSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H]([NH2+]C1CCC1)C1CNC1 686245923 573516383 /nfs/dbraw/zinc/51/63/83/573516383.db2.gz RKPNUBWDRONERM-ZETCQYMHSA-N 1 3 154.257 0.736 10 0 ACAEHO CN1CC[C@@H](C[NH2+]C(C)(C)CCN)C1 258737567 573516480 /nfs/dbraw/zinc/51/64/80/573516480.db2.gz FKUJVEHYRHUOPM-JTQLQIEISA-N 1 3 199.342 0.655 10 0 ACAEHO C[C@@H]([NH2+]C1CCC1)C1CNC1 686245922 573516554 /nfs/dbraw/zinc/51/65/54/573516554.db2.gz RKPNUBWDRONERM-SSDOTTSWSA-N 1 3 154.257 0.736 10 0 ACAEHO NC1(c2ccnn2[C@H]2CC[NH2+]C2)CC1 257822648 573516565 /nfs/dbraw/zinc/51/65/65/573516565.db2.gz GKEJSIDVYKYCRP-QMMMGPOBSA-N 1 3 192.266 0.365 10 0 ACAEHO CC[C@@H]([NH2+]C)[C@H]1CCCNC1 259485232 573516595 /nfs/dbraw/zinc/51/65/95/573516595.db2.gz QYHBOFQNLRFAMA-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO C[N@H+](C1CC1)[C@H]1CCC[C@](N)(CO)C1 86617117 573516649 /nfs/dbraw/zinc/51/66/49/573516649.db2.gz MNKUAMFMODCWEC-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@@H+](C1CC1)[C@H]1CCC[C@](N)(CO)C1 86617117 573516652 /nfs/dbraw/zinc/51/66/52/573516652.db2.gz MNKUAMFMODCWEC-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@@H]2CCC(=O)C2)C1 86618271 573516669 /nfs/dbraw/zinc/51/66/69/573516669.db2.gz DYMXGEXQECISBU-RKDXNWHRSA-N 1 3 182.267 0.389 10 0 ACAEHO C[C@@H](C[NH3+])CN[C@@H]1CCCN(C)C1 258734360 573517068 /nfs/dbraw/zinc/51/70/68/573517068.db2.gz KJVFKTUHFSENOZ-VHSXEESVSA-N 1 3 185.315 0.265 10 0 ACAEHO C[NH2+]C(C)(C)CNCCN(C)C 258738240 573517286 /nfs/dbraw/zinc/51/72/86/573517286.db2.gz VUABEQSCSPQBHA-UHFFFAOYSA-N 1 3 173.304 0.136 10 0 ACAEHO NC[C@@]1(F)CC[C@H]([NH3+])C1 257822931 573517387 /nfs/dbraw/zinc/51/73/87/573517387.db2.gz FLUVKWXUKOSRFI-NTSWFWBYSA-N 1 3 132.182 0.165 10 0 ACAEHO [NH3+]C[C@@]1(NC2CCC2)CCCOC1 257822731 573517461 /nfs/dbraw/zinc/51/74/61/573517461.db2.gz GGZKXTQNKZPFBV-JTQLQIEISA-N 1 3 184.283 0.636 10 0 ACAEHO NC[C@@]1(F)CC[C@@H]([NH3+])C1 257822932 573518108 /nfs/dbraw/zinc/51/81/08/573518108.db2.gz FLUVKWXUKOSRFI-PHDIDXHHSA-N 1 3 132.182 0.165 10 0 ACAEHO N[C@]1(CO)CCC[C@@H]([NH+]2CCCC2)C1 86617002 573518306 /nfs/dbraw/zinc/51/83/06/573518306.db2.gz PBUCRTDXUMWTGU-GHMZBOCLSA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@]1(CO)CCC[C@@H](N2CCCC2)C1 86617002 573518311 /nfs/dbraw/zinc/51/83/11/573518311.db2.gz PBUCRTDXUMWTGU-GHMZBOCLSA-N 1 3 198.310 0.715 10 0 ACAEHO C[C@@H](N)CC[NH2+]C1CCOCC1 258740101 573518457 /nfs/dbraw/zinc/51/84/57/573518457.db2.gz KYYXXWCRYZSMFA-MRVPVSSYSA-N 1 3 172.272 0.492 10 0 ACAEHO NC[C@]1(F)CC[C@H]([NH3+])C1 257822934 573520436 /nfs/dbraw/zinc/52/04/36/573520436.db2.gz FLUVKWXUKOSRFI-WDSKDSINSA-N 1 3 132.182 0.165 10 0 ACAEHO C[C@H](C[NH3+])CN[C@@H]1CCCN(C)C1 258734347 573520444 /nfs/dbraw/zinc/52/04/44/573520444.db2.gz KJVFKTUHFSENOZ-NXEZZACHSA-N 1 3 185.315 0.265 10 0 ACAEHO NC1(c2ccnn2[C@@H]2CC[NH2+]C2)CC1 257822646 573519837 /nfs/dbraw/zinc/51/98/37/573519837.db2.gz GKEJSIDVYKYCRP-MRVPVSSYSA-N 1 3 192.266 0.365 10 0 ACAEHO CC[C@H]([NH2+]C)[C@@H]1CCCNC1 259485229 573519938 /nfs/dbraw/zinc/51/99/38/573519938.db2.gz QYHBOFQNLRFAMA-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CN[C@@]1(CO)CCC[C@@H]([NH+](C)C)C1 86617071 573520031 /nfs/dbraw/zinc/52/00/31/573520031.db2.gz LRRIWAUJAHLAJS-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CCCCCNCN1CC[NH2+]CC1 258740263 573520281 /nfs/dbraw/zinc/52/02/81/573520281.db2.gz WAIFGCVCKBUNGC-UHFFFAOYSA-N 1 3 185.315 0.629 10 0 ACAEHO CNCc1c(C)nn(C2C[NH2+]C2)c1C 257822631 573520315 /nfs/dbraw/zinc/52/03/15/573520315.db2.gz GJRFBQOAAUWDTJ-UHFFFAOYSA-N 1 3 194.282 0.364 10 0 ACAEHO CC[C@@H]([NH2+]C)[C@@H]1CCCNC1 259486407 573520372 /nfs/dbraw/zinc/52/03/72/573520372.db2.gz QYHBOFQNLRFAMA-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[N@H+](C)[C@@H]1CCC[C@](N)(CO)C1 86617102 573520794 /nfs/dbraw/zinc/52/07/94/573520794.db2.gz DZWJALUTFXGSDW-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CCC[C@](N)(CO)C1 86617102 573520801 /nfs/dbraw/zinc/52/08/01/573520801.db2.gz DZWJALUTFXGSDW-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CCN(C)[C@@H]1CCC[C@]([NH3+])(CO)C1 86617102 573520804 /nfs/dbraw/zinc/52/08/04/573520804.db2.gz DZWJALUTFXGSDW-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](C[NH3+])CN[C@H]1CCCN(C)C1 258734354 573520818 /nfs/dbraw/zinc/52/08/18/573520818.db2.gz KJVFKTUHFSENOZ-UWVGGRQHSA-N 1 3 185.315 0.265 10 0 ACAEHO C[C@H]1[C@@H](CN)[N@@H+](C)[C@@H]1C 211880574 573520952 /nfs/dbraw/zinc/52/09/52/573520952.db2.gz YJKQNRAHNWGZPN-FSDSQADBSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H]1CCCN(C)C1 258734364 573520956 /nfs/dbraw/zinc/52/09/56/573520956.db2.gz KJVFKTUHFSENOZ-ZJUUUORDSA-N 1 3 185.315 0.265 10 0 ACAEHO C[C@H]1[C@@H](CN)[N@H+](C)[C@@H]1C 211880574 573520958 /nfs/dbraw/zinc/52/09/58/573520958.db2.gz YJKQNRAHNWGZPN-FSDSQADBSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@H]1[C@@H](C)[C@@H](CN)[N@H+]1C 211880498 573521041 /nfs/dbraw/zinc/52/10/41/573521041.db2.gz YJKQNRAHNWGZPN-DSYKOEDSSA-N 1 3 128.219 0.284 10 0 ACAEHO C[C@H]1[C@@H](C)[C@@H](CN)[N@@H+]1C 211880498 573521045 /nfs/dbraw/zinc/52/10/45/573521045.db2.gz YJKQNRAHNWGZPN-DSYKOEDSSA-N 1 3 128.219 0.284 10 0 ACAEHO C[NH2+][C@@H]1CC[C@@H](N(C)C)C1 86618514 573521064 /nfs/dbraw/zinc/52/10/64/573521064.db2.gz HYXQFUNUJXITIU-HTQZYQBOSA-N 1 3 142.246 0.689 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@H]1CCC(=O)C1 86618247 573521156 /nfs/dbraw/zinc/52/11/56/573521156.db2.gz UEMIUGPABQQANA-JTQLQIEISA-N 1 3 196.294 0.792 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@H]1CCC(=O)C1 86618247 573521162 /nfs/dbraw/zinc/52/11/62/573521162.db2.gz UEMIUGPABQQANA-JTQLQIEISA-N 1 3 196.294 0.792 10 0 ACAEHO N[C@@]1(CO)CCC[C@H]([NH+]2CCCC2)C1 86617005 573521221 /nfs/dbraw/zinc/52/12/21/573521221.db2.gz PBUCRTDXUMWTGU-QWRGUYRKSA-N 1 3 198.310 0.715 10 0 ACAEHO C[C@H](C[C@H]1CC[NH2+]C1)N1CCOCC1 257826866 573521226 /nfs/dbraw/zinc/52/12/26/573521226.db2.gz FWFWRSCLFXGAEE-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO [NH3+][C@@]1(CO)CCC[C@H](N2CCCC2)C1 86617005 573521227 /nfs/dbraw/zinc/52/12/27/573521227.db2.gz PBUCRTDXUMWTGU-QWRGUYRKSA-N 1 3 198.310 0.715 10 0 ACAEHO C[N@H+](C1CC1)[C@@H]1CCC[C@](N)(CO)C1 86617116 573521309 /nfs/dbraw/zinc/52/13/09/573521309.db2.gz MNKUAMFMODCWEC-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@@H+](C1CC1)[C@@H]1CCC[C@](N)(CO)C1 86617116 573521317 /nfs/dbraw/zinc/52/13/17/573521317.db2.gz MNKUAMFMODCWEC-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO CN(C)CC(C)(C)NC[C@H]1CCC[NH2+]1 308607072 573522236 /nfs/dbraw/zinc/52/22/36/573522236.db2.gz GJGOSNNJFNWFKE-SNVBAGLBSA-N 1 3 199.342 0.668 10 0 ACAEHO Cc1nn([C@@H]2CC[NH2+]C2)c(C)c1CN 257823648 573523271 /nfs/dbraw/zinc/52/32/71/573523271.db2.gz GOLPKBDKLJQPCW-SECBINFHSA-N 1 3 194.282 0.493 10 0 ACAEHO OCC[C@H]1CCC[N@H+](CC2CNC2)C1 308612703 573523273 /nfs/dbraw/zinc/52/32/73/573523273.db2.gz YYMLLBKPEIDQJE-SNVBAGLBSA-N 1 3 198.310 0.300 10 0 ACAEHO OCC[C@H]1CCC[N@@H+](CC2CNC2)C1 308612703 573523278 /nfs/dbraw/zinc/52/32/78/573523278.db2.gz YYMLLBKPEIDQJE-SNVBAGLBSA-N 1 3 198.310 0.300 10 0 ACAEHO Cc1nn([C@H]2CC[NH2+]C2)c(C)c1CN 257823650 573523366 /nfs/dbraw/zinc/52/33/66/573523366.db2.gz GOLPKBDKLJQPCW-VIFPVBQESA-N 1 3 194.282 0.493 10 0 ACAEHO C[C@H](C[NH3+])CNC(C)(C)CN(C)C 308612137 573525981 /nfs/dbraw/zinc/52/59/81/573525981.db2.gz FRZJTNZBOROAJR-SECBINFHSA-N 1 3 187.331 0.511 10 0 ACAEHO Cc1cnc2n1C[C@@H](C[NH3+])CN2 107330041 573524550 /nfs/dbraw/zinc/52/45/50/573524550.db2.gz BGCDVNVNPVBLIX-ZETCQYMHSA-N 1 3 166.228 0.192 10 0 ACAEHO CN(C)CC(C)(C)NCCC[NH3+] 308606149 573524724 /nfs/dbraw/zinc/52/47/24/573524724.db2.gz AWNHVDIPQQSVGO-UHFFFAOYSA-N 1 3 173.304 0.265 10 0 ACAEHO COCCCC[NH2+][C@@H](C)C1CNC1 686246204 573524824 /nfs/dbraw/zinc/52/48/24/573524824.db2.gz BRELFTYEPJJNOJ-VIFPVBQESA-N 1 3 186.299 0.611 10 0 ACAEHO CC(C)C[NH2+][C@H](C)C1CNC1 686246210 573525283 /nfs/dbraw/zinc/52/52/83/573525283.db2.gz COIMRSXRGFABEH-MRVPVSSYSA-N 1 3 156.273 0.840 10 0 ACAEHO CCc1cnc2n1C[C@H]([NH3+])CN2 107330046 573525499 /nfs/dbraw/zinc/52/54/99/573525499.db2.gz KYFPMZSFDJAUQE-ZCFIWIBFSA-N 1 3 166.228 0.198 10 0 ACAEHO Cc1cnc2n1C[C@H](C[NH3+])CN2 107330039 573525536 /nfs/dbraw/zinc/52/55/36/573525536.db2.gz BGCDVNVNPVBLIX-SSDOTTSWSA-N 1 3 166.228 0.192 10 0 ACAEHO CC[C@H](C)[N@H+](CCO)[C@H](C)CCN 388693632 573525591 /nfs/dbraw/zinc/52/55/91/573525591.db2.gz LMMOSPGVQFCCSX-VHSXEESVSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@H](C)[N@@H+](CCO)[C@H](C)CCN 388693632 573525607 /nfs/dbraw/zinc/52/56/07/573525607.db2.gz LMMOSPGVQFCCSX-VHSXEESVSA-N 1 3 188.315 0.817 10 0 ACAEHO C[C@H](C[C@@H]1CC[NH2+]C1)N1CCOCC1 257826867 573525611 /nfs/dbraw/zinc/52/56/11/573525611.db2.gz FWFWRSCLFXGAEE-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO COCCCC[NH2+][C@H](C)C1CNC1 686246203 573526175 /nfs/dbraw/zinc/52/61/75/573526175.db2.gz BRELFTYEPJJNOJ-SECBINFHSA-N 1 3 186.299 0.611 10 0 ACAEHO NCCC[NH2+]CCC1CCOCC1 258745389 573525832 /nfs/dbraw/zinc/52/58/32/573525832.db2.gz LLQJWEJZJNSBML-UHFFFAOYSA-N 1 3 186.299 0.742 10 0 ACAEHO C[C@@]1(O)CCCN(C[C@H]2CC[NH2+]C2)C1 258056924 573525921 /nfs/dbraw/zinc/52/59/21/573525921.db2.gz KKYXIHGANCHVRG-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@]1(O)CCCN(C[C@@H]2CC[NH2+]C2)C1 258056921 573526056 /nfs/dbraw/zinc/52/60/56/573526056.db2.gz KKYXIHGANCHVRG-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CC(C)[C@@H](CN)[NH2+]C1CCN(C)CC1 258750835 573526445 /nfs/dbraw/zinc/52/64/45/573526445.db2.gz GMDRTZMNACAEGL-LLVKDONJSA-N 1 3 199.342 0.654 10 0 ACAEHO CNCC1(C[NH2+]C(C)C)CC1 258742660 573526180 /nfs/dbraw/zinc/52/61/80/573526180.db2.gz WHVHKIRFQBKKJC-UHFFFAOYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@H](C[C@H]1CC[NH2+]C1)N1CCOCC1 257826869 573526265 /nfs/dbraw/zinc/52/62/65/573526265.db2.gz FWFWRSCLFXGAEE-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CC(C)[C@H](CN)[NH2+]C1CCN(C)CC1 258750839 573527402 /nfs/dbraw/zinc/52/74/02/573527402.db2.gz GMDRTZMNACAEGL-NSHDSACASA-N 1 3 199.342 0.654 10 0 ACAEHO CN(C[C@H](N)C[NH3+])CC(C)(C)C 258755431 573530369 /nfs/dbraw/zinc/53/03/69/573530369.db2.gz AKALKULLGOEIAK-MRVPVSSYSA-N 1 3 173.304 0.250 10 0 ACAEHO CC[C@@H](CNCCOC)C[NH2+]C 258746322 573527569 /nfs/dbraw/zinc/52/75/69/573527569.db2.gz WPWAZZXONIDEQA-SECBINFHSA-N 1 3 174.288 0.468 10 0 ACAEHO CCCC[NH2+][C@H](C)C1CNC1 686246424 573527623 /nfs/dbraw/zinc/52/76/23/573527623.db2.gz LMLCADBXEHDARE-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CCCC[NH2+][C@@H](C)C1CNC1 686246425 573527697 /nfs/dbraw/zinc/52/76/97/573527697.db2.gz LMLCADBXEHDARE-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@H](CN)[C@H]([NH3+])C1CCOCC1 259490435 573527839 /nfs/dbraw/zinc/52/78/39/573527839.db2.gz QEGKQCUNYULVSJ-WPRPVWTQSA-N 1 3 186.299 0.725 10 0 ACAEHO CN[C@@H](C[NH2+]C)C1CCCC1 259489277 573530401 /nfs/dbraw/zinc/53/04/01/573530401.db2.gz QDHUAEGGDHKUQC-VIFPVBQESA-N 1 3 156.273 0.984 10 0 ACAEHO N[C@H](C[NH3+])C1CCSCC1 258058370 573528331 /nfs/dbraw/zinc/52/83/31/573528331.db2.gz HZLHXMXYUSPDIF-SSDOTTSWSA-N 1 3 160.286 0.416 10 0 ACAEHO C[NH2+]CCCNCCc1cc[nH]c1 258682005 573528704 /nfs/dbraw/zinc/52/87/04/573528704.db2.gz DVZPOCYSIGCMHR-UHFFFAOYSA-N 1 3 181.283 0.756 10 0 ACAEHO CNCCC[NH2+]CCc1cc[nH]c1 258682005 573528706 /nfs/dbraw/zinc/52/87/06/573528706.db2.gz DVZPOCYSIGCMHR-UHFFFAOYSA-N 1 3 181.283 0.756 10 0 ACAEHO CN[C@H](C)N1CCC[NH2+][C@H](C)C1 258058649 573528859 /nfs/dbraw/zinc/52/88/59/573528859.db2.gz ISROXYYPXSNBNZ-BDAKNGLRSA-N 1 3 171.288 0.236 10 0 ACAEHO CC[C@H](CN)[C@@H]([NH3+])C1CCOCC1 259490431 573528881 /nfs/dbraw/zinc/52/88/81/573528881.db2.gz QEGKQCUNYULVSJ-PSASIEDQSA-N 1 3 186.299 0.725 10 0 ACAEHO [NH3+]C[C@@]1(NC2CCC2)CCSC1 257827967 573529006 /nfs/dbraw/zinc/52/90/06/573529006.db2.gz IAZDYGYDNGLITF-VIFPVBQESA-N 1 3 186.324 0.963 10 0 ACAEHO CC[C@H](C[NH2+]C)CN(C)C 258755620 573529188 /nfs/dbraw/zinc/52/91/88/573529188.db2.gz XKDKYYDSYWQODX-MRVPVSSYSA-N 1 3 144.262 0.794 10 0 ACAEHO C1=C(C[NH2+]C2CC2)CNCC1 258058064 573529193 /nfs/dbraw/zinc/52/91/93/573529193.db2.gz VCSCBMBSOCQTKY-UHFFFAOYSA-N 1 3 152.241 0.658 10 0 ACAEHO CC[NH2+]C[C@H](CC)CNC 258757691 573529294 /nfs/dbraw/zinc/52/92/94/573529294.db2.gz XPAHQULRGJYDTF-MRVPVSSYSA-N 1 3 144.262 0.842 10 0 ACAEHO CCNC[C@H](CC)C[NH2+]C 258757691 573529301 /nfs/dbraw/zinc/52/93/01/573529301.db2.gz XPAHQULRGJYDTF-MRVPVSSYSA-N 1 3 144.262 0.842 10 0 ACAEHO [NH3+]C[C@]1(NC2CCC2)CCSC1 257827966 573529377 /nfs/dbraw/zinc/52/93/77/573529377.db2.gz IAZDYGYDNGLITF-SECBINFHSA-N 1 3 186.324 0.963 10 0 ACAEHO CC[N@@H+]1CC[C@](CNC)(OC)C1 257827422 573529465 /nfs/dbraw/zinc/52/94/65/573529465.db2.gz HVBOMVOWFABBLJ-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CC[N@H+]1CC[C@](CNC)(OC)C1 257827422 573529470 /nfs/dbraw/zinc/52/94/70/573529470.db2.gz HVBOMVOWFABBLJ-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CCOCCC[NH2+][C@H](C)C1CNC1 686246311 573529735 /nfs/dbraw/zinc/52/97/35/573529735.db2.gz GRVWHEHXOPHUCW-SECBINFHSA-N 1 3 186.299 0.611 10 0 ACAEHO CCOCCCN[C@H](C)C1C[NH2+]C1 686246311 573529740 /nfs/dbraw/zinc/52/97/40/573529740.db2.gz GRVWHEHXOPHUCW-SECBINFHSA-N 1 3 186.299 0.611 10 0 ACAEHO CNCc1nc(C)n2c1CN(C)CC2 258759266 573529742 /nfs/dbraw/zinc/52/97/42/573529742.db2.gz QHADEFPOVIMAPW-UHFFFAOYSA-N 1 3 194.282 0.356 10 0 ACAEHO CNCc1nc(C)n2c1C[N@H+](C)CC2 258759266 573529747 /nfs/dbraw/zinc/52/97/47/573529747.db2.gz QHADEFPOVIMAPW-UHFFFAOYSA-N 1 3 194.282 0.356 10 0 ACAEHO CNCc1nc(C)n2c1C[N@@H+](C)CC2 258759266 573529751 /nfs/dbraw/zinc/52/97/51/573529751.db2.gz QHADEFPOVIMAPW-UHFFFAOYSA-N 1 3 194.282 0.356 10 0 ACAEHO C[C@H](CN)C[N@H+](CCO)C(C)(C)C 689966419 573530324 /nfs/dbraw/zinc/53/03/24/573530324.db2.gz KWHWQYJHSZIAKU-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@@H]1CCN(CCNC(N)=[NH2+])C[C@@H]1C 238429009 573529975 /nfs/dbraw/zinc/52/99/75/573529975.db2.gz VXXPJGGYBWLRDS-BDAKNGLRSA-N 1 3 198.314 0.447 10 0 ACAEHO C[C@H](CN)C[N@@H+](CCO)C(C)(C)C 689966419 573530330 /nfs/dbraw/zinc/53/03/30/573530330.db2.gz KWHWQYJHSZIAKU-SECBINFHSA-N 1 3 188.315 0.674 10 0 ACAEHO CN[C@@]1(CO)CC[C@@H]([NH+](C)C)C1 86632614 573530021 /nfs/dbraw/zinc/53/00/21/573530021.db2.gz PNMDMOKOWKKGRT-BDAKNGLRSA-N 1 3 172.272 0.051 10 0 ACAEHO CN[C@]1(CO)CC[C@@H]([NH+]2CCCC2)C1 86632224 573530044 /nfs/dbraw/zinc/53/00/44/573530044.db2.gz LEDYTZJHOUMDMK-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO C[NH2+][C@]1(CO)CC[C@@H](N2CCCC2)C1 86632224 573530051 /nfs/dbraw/zinc/53/00/51/573530051.db2.gz LEDYTZJHOUMDMK-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CC(C)C[C@@H]([NH3+])C1(CN)COC1 259490471 573530199 /nfs/dbraw/zinc/53/01/99/573530199.db2.gz QEUIMJISUKDQLN-MRVPVSSYSA-N 1 3 172.272 0.335 10 0 ACAEHO CC[C@@H](C[NH3+])N(CCO)C(C)(C)C 689965399 573530754 /nfs/dbraw/zinc/53/07/54/573530754.db2.gz AKVMPOSWNZVYKU-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@H](C[NH3+])N(CCO)C(C)(C)C 689965398 573530891 /nfs/dbraw/zinc/53/08/91/573530891.db2.gz AKVMPOSWNZVYKU-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[N@H+](C1CC1)[C@@H]1CC[C@](N)(CO)C1 86632867 573530966 /nfs/dbraw/zinc/53/09/66/573530966.db2.gz IYJIYJNSYIWWEZ-NXEZZACHSA-N 1 3 184.283 0.323 10 0 ACAEHO C[N@@H+](C1CC1)[C@@H]1CC[C@](N)(CO)C1 86632867 573530971 /nfs/dbraw/zinc/53/09/71/573530971.db2.gz IYJIYJNSYIWWEZ-NXEZZACHSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@]1(CO)CC[C@H]([NH+]2CCCC2)C1 86632267 573531128 /nfs/dbraw/zinc/53/11/28/573531128.db2.gz CTONXXJVYUXDCH-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+][C@@]1(CO)CC[C@H](N2CCCC2)C1 86632267 573531135 /nfs/dbraw/zinc/53/11/35/573531135.db2.gz CTONXXJVYUXDCH-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO CC[C@@](C)(O)CN[C@H](C)C1C[NH2+]C1 686246436 573531725 /nfs/dbraw/zinc/53/17/25/573531725.db2.gz LYSWYDQMDMHZPH-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@](C)(O)C[NH2+][C@H](C)C1CNC1 686246436 573531735 /nfs/dbraw/zinc/53/17/35/573531735.db2.gz LYSWYDQMDMHZPH-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)(C[NH3+])NCCc1ccc[nH]1 258756573 573531898 /nfs/dbraw/zinc/53/18/98/573531898.db2.gz GVLYJXSUENBYMF-UHFFFAOYSA-N 1 3 181.283 0.884 10 0 ACAEHO N[C@]1(CO)CC[C@H]([NH+]2CCCC2)C1 86632262 573535208 /nfs/dbraw/zinc/53/52/08/573535208.db2.gz CTONXXJVYUXDCH-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+][C@]1(CO)CC[C@H](N2CCCC2)C1 86632262 573535211 /nfs/dbraw/zinc/53/52/11/573535211.db2.gz CTONXXJVYUXDCH-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO CC[C@@H](N)C1(C[NH2+]C)CC1 259489188 573532847 /nfs/dbraw/zinc/53/28/47/573532847.db2.gz QBPLGNQSPFFXKA-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H]([NH3+])C1(CNC)CC1 259489188 573532850 /nfs/dbraw/zinc/53/28/50/573532850.db2.gz QBPLGNQSPFFXKA-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H](N)C1(C[NH2+]C)CC1 259489189 573532930 /nfs/dbraw/zinc/53/29/30/573532930.db2.gz QBPLGNQSPFFXKA-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO CC(C)[N@H+](C)[C@H]1CC[C@](N)(CO)C1 86632549 573532932 /nfs/dbraw/zinc/53/29/32/573532932.db2.gz AUOWMAXTJIKPCM-VHSXEESVSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[C@H]([NH3+])C1(CNC)CC1 259489189 573532935 /nfs/dbraw/zinc/53/29/35/573532935.db2.gz QBPLGNQSPFFXKA-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO CC(C)[N@@H+](C)[C@H]1CC[C@](N)(CO)C1 86632549 573532942 /nfs/dbraw/zinc/53/29/42/573532942.db2.gz AUOWMAXTJIKPCM-VHSXEESVSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)N(C)[C@H]1CC[C@]([NH3+])(CO)C1 86632549 573532948 /nfs/dbraw/zinc/53/29/48/573532948.db2.gz AUOWMAXTJIKPCM-VHSXEESVSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@](N)(CO)C2)C1 86633235 573532982 /nfs/dbraw/zinc/53/29/82/573532982.db2.gz HNQFZRGBCWLIND-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CC[C@](N)(CO)C2)C1 86633235 573532987 /nfs/dbraw/zinc/53/29/87/573532987.db2.gz HNQFZRGBCWLIND-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO CC[C@](C)(O)CN[C@@H](C)C1C[NH2+]C1 686246439 573533012 /nfs/dbraw/zinc/53/30/12/573533012.db2.gz LYSWYDQMDMHZPH-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@](C)(O)C[NH2+][C@@H](C)C1CNC1 686246439 573533014 /nfs/dbraw/zinc/53/30/14/573533014.db2.gz LYSWYDQMDMHZPH-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO N[C@]1(CO)CC[C@H]([NH+]2CCCCC2)C1 86632003 573533155 /nfs/dbraw/zinc/53/31/55/573533155.db2.gz PSNTUHCZJBQOQV-WDEREUQCSA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@]1(CO)CC[C@H](N2CCCCC2)C1 86632003 573533161 /nfs/dbraw/zinc/53/31/61/573533161.db2.gz PSNTUHCZJBQOQV-WDEREUQCSA-N 1 3 198.310 0.715 10 0 ACAEHO C[NH2+]CCCNCCc1ccccn1 258756821 573533346 /nfs/dbraw/zinc/53/33/46/573533346.db2.gz MPJXDMWXUAUELF-UHFFFAOYSA-N 1 3 193.294 0.823 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@](N)(CO)C1 86632100 573533393 /nfs/dbraw/zinc/53/33/93/573533393.db2.gz TZRQWULHQPERNS-GMTAPVOTSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@](N)(CO)C1 86632100 573533396 /nfs/dbraw/zinc/53/33/96/573533396.db2.gz TZRQWULHQPERNS-GMTAPVOTSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@]1(CO)CC[C@@H]([NH+]2CCCC2)C1 86632259 573533549 /nfs/dbraw/zinc/53/35/49/573533549.db2.gz CTONXXJVYUXDCH-NXEZZACHSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+][C@]1(CO)CC[C@@H](N2CCCC2)C1 86632259 573533553 /nfs/dbraw/zinc/53/35/53/573533553.db2.gz CTONXXJVYUXDCH-NXEZZACHSA-N 1 3 184.283 0.325 10 0 ACAEHO CC[C@@H](C[NH2+]C)CN(C)C 258755626 573533577 /nfs/dbraw/zinc/53/35/77/573533577.db2.gz XKDKYYDSYWQODX-QMMMGPOBSA-N 1 3 144.262 0.794 10 0 ACAEHO CN[C@]1(CO)CC[C@H]([NH+](C)C)C1 86632603 573535284 /nfs/dbraw/zinc/53/52/84/573535284.db2.gz PNMDMOKOWKKGRT-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO C[C@@H]1CCN(CCNC(N)=[NH2+])[C@@H]1C 238429037 573533693 /nfs/dbraw/zinc/53/36/93/573533693.db2.gz GOLLTSSZKQCIKY-HTQZYQBOSA-N 1 3 184.287 0.200 10 0 ACAEHO CN[C@]1(CO)CC[C@H]([NH+]2CCCC2)C1 86632219 573533757 /nfs/dbraw/zinc/53/37/57/573533757.db2.gz LEDYTZJHOUMDMK-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO C[NH2+][C@]1(CO)CC[C@H](N2CCCC2)C1 86632219 573533761 /nfs/dbraw/zinc/53/37/61/573533761.db2.gz LEDYTZJHOUMDMK-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO COC[C@H](C)C[NH2+][C@H](C)C1CNC1 686246565 573536125 /nfs/dbraw/zinc/53/61/25/573536125.db2.gz UHTNEKPCHOIDLS-RKDXNWHRSA-N 1 3 186.299 0.466 10 0 ACAEHO CN1CCC[NH2+]CC(C)(C)C1 259493284 573533869 /nfs/dbraw/zinc/53/38/69/573533869.db2.gz SGZCEFQVYGDCCW-UHFFFAOYSA-N 1 3 156.273 0.938 10 0 ACAEHO C[C@H]1CC[NH2+]CCCN1C 259493269 573534039 /nfs/dbraw/zinc/53/40/39/573534039.db2.gz SGPREUBVSHIEAL-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO N[C@@]1(CO)CC[C@@H]([NH+]2CCCC2)C1 86632264 573534042 /nfs/dbraw/zinc/53/40/42/573534042.db2.gz CTONXXJVYUXDCH-ZJUUUORDSA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@H]1CCNCCC[N@@H+]1C 259493269 573534043 /nfs/dbraw/zinc/53/40/43/573534043.db2.gz SGPREUBVSHIEAL-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO [NH3+][C@@]1(CO)CC[C@@H](N2CCCC2)C1 86632264 573534045 /nfs/dbraw/zinc/53/40/45/573534045.db2.gz CTONXXJVYUXDCH-ZJUUUORDSA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@H]1CCNCCC[N@H+]1C 259493269 573534047 /nfs/dbraw/zinc/53/40/47/573534047.db2.gz SGPREUBVSHIEAL-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO CC(C)[N@H+](C)[C@@H]1CC[C@](N)(CO)C1 86632546 573534095 /nfs/dbraw/zinc/53/40/95/573534095.db2.gz AUOWMAXTJIKPCM-NXEZZACHSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@](N)(CO)C1 86632546 573534100 /nfs/dbraw/zinc/53/41/00/573534100.db2.gz AUOWMAXTJIKPCM-NXEZZACHSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)N(C)[C@@H]1CC[C@]([NH3+])(CO)C1 86632546 573534104 /nfs/dbraw/zinc/53/41/04/573534104.db2.gz AUOWMAXTJIKPCM-NXEZZACHSA-N 1 3 186.299 0.569 10 0 ACAEHO CCCC1=[NH+][C@@H]2CCNC[C@H]2N1 258052941 573534228 /nfs/dbraw/zinc/53/42/28/573534228.db2.gz RNBIDSWURAMWCW-HTQZYQBOSA-N 1 3 167.256 0.519 10 0 ACAEHO CN[C@@]1(CO)CC[C@H]([NH+](C)C)C1 86632609 573534292 /nfs/dbraw/zinc/53/42/92/573534292.db2.gz PNMDMOKOWKKGRT-IUCAKERBSA-N 1 3 172.272 0.051 10 0 ACAEHO CN(C[C@@H](N)C[NH3+])CC(C)(C)C 258755433 573534299 /nfs/dbraw/zinc/53/42/99/573534299.db2.gz AKALKULLGOEIAK-QMMMGPOBSA-N 1 3 173.304 0.250 10 0 ACAEHO C[C@@H](CN)C[N@H+](CCO)C(C)(C)C 689966429 573534384 /nfs/dbraw/zinc/53/43/84/573534384.db2.gz KWHWQYJHSZIAKU-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@@H](CN)C[N@@H+](CCO)C(C)(C)C 689966429 573534389 /nfs/dbraw/zinc/53/43/89/573534389.db2.gz KWHWQYJHSZIAKU-VIFPVBQESA-N 1 3 188.315 0.674 10 0 ACAEHO N[C@]1(CO)CC[C@@H]([NH+]2CCCCC2)C1 86632001 573534868 /nfs/dbraw/zinc/53/48/68/573534868.db2.gz PSNTUHCZJBQOQV-GHMZBOCLSA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@]1(CO)CC[C@@H](N2CCCCC2)C1 86632001 573534875 /nfs/dbraw/zinc/53/48/75/573534875.db2.gz PSNTUHCZJBQOQV-GHMZBOCLSA-N 1 3 198.310 0.715 10 0 ACAEHO CC[NH2+]C[C@@H](CC)CNC 258757693 573534922 /nfs/dbraw/zinc/53/49/22/573534922.db2.gz XPAHQULRGJYDTF-QMMMGPOBSA-N 1 3 144.262 0.842 10 0 ACAEHO CCNC[C@@H](CC)C[NH2+]C 258757693 573534926 /nfs/dbraw/zinc/53/49/26/573534926.db2.gz XPAHQULRGJYDTF-QMMMGPOBSA-N 1 3 144.262 0.842 10 0 ACAEHO CC[N@H+](C)[C@@H]1CC[C@@](CO)(NC)C1 86632781 573535051 /nfs/dbraw/zinc/53/50/51/573535051.db2.gz LTKGJBPTOJHMBY-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CC[C@@](CO)(NC)C1 86632781 573535057 /nfs/dbraw/zinc/53/50/57/573535057.db2.gz LTKGJBPTOJHMBY-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H]1CC[NH2+]CCCN1C 259493268 573535114 /nfs/dbraw/zinc/53/51/14/573535114.db2.gz SGPREUBVSHIEAL-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO C[C@@H]1CCNCCC[N@@H+]1C 259493268 573535119 /nfs/dbraw/zinc/53/51/19/573535119.db2.gz SGPREUBVSHIEAL-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO C[C@@H]1CCNCCC[N@H+]1C 259493268 573535124 /nfs/dbraw/zinc/53/51/24/573535124.db2.gz SGPREUBVSHIEAL-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO C[N@H+](C1CC1)[C@H]1CC[C@](N)(CO)C1 86632869 573535134 /nfs/dbraw/zinc/53/51/34/573535134.db2.gz IYJIYJNSYIWWEZ-VHSXEESVSA-N 1 3 184.283 0.323 10 0 ACAEHO C[N@@H+](C1CC1)[C@H]1CC[C@](N)(CO)C1 86632869 573535140 /nfs/dbraw/zinc/53/51/40/573535140.db2.gz IYJIYJNSYIWWEZ-VHSXEESVSA-N 1 3 184.283 0.323 10 0 ACAEHO COC[C@H](C)C[NH2+][C@@H](C)C1CNC1 686246562 573535829 /nfs/dbraw/zinc/53/58/29/573535829.db2.gz UHTNEKPCHOIDLS-BDAKNGLRSA-N 1 3 186.299 0.466 10 0 ACAEHO C1CN=C(NCC2CC[NH2+]CC2)OC1 258054648 573535982 /nfs/dbraw/zinc/53/59/82/573535982.db2.gz KHRZMVZEUSLOKZ-UHFFFAOYSA-N 1 3 197.282 0.352 10 0 ACAEHO CCN(CC)[C@]1(C[NH3+])CCCNC1 257828558 573536029 /nfs/dbraw/zinc/53/60/29/573536029.db2.gz IIEOGHHFZAIBKG-JTQLQIEISA-N 1 3 185.315 0.409 10 0 ACAEHO C1C[NH2+][C@H](CCNC2CCOCC2)C1 259104300 573536031 /nfs/dbraw/zinc/53/60/31/573536031.db2.gz USQZNBPAQBGROM-JTQLQIEISA-N 1 3 198.310 0.897 10 0 ACAEHO CCOC[C@@H](C)N[C@H](C)C1C[NH2+]C1 686246559 573538496 /nfs/dbraw/zinc/53/84/96/573538496.db2.gz UGFMPTOMLBUNPI-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CCOC[C@@H](C)[NH2+][C@H](C)C1CNC1 686246559 573538499 /nfs/dbraw/zinc/53/84/99/573538499.db2.gz UGFMPTOMLBUNPI-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CC(C)(CN1CCCC1)[NH2+]CCN 308616646 573538664 /nfs/dbraw/zinc/53/86/64/573538664.db2.gz ZQTNBRKTZGJXMA-UHFFFAOYSA-N 1 3 185.315 0.409 10 0 ACAEHO CCOC[C@@H](C)N[C@@H](C)C1C[NH2+]C1 686246556 573538822 /nfs/dbraw/zinc/53/88/22/573538822.db2.gz UGFMPTOMLBUNPI-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO CCOC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686246556 573538828 /nfs/dbraw/zinc/53/88/28/573538828.db2.gz UGFMPTOMLBUNPI-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO CC(C)(CN1CCCC1)NC1C[NH2+]C1 308616213 573538891 /nfs/dbraw/zinc/53/88/91/573538891.db2.gz VIQNTEGDHAPFIS-UHFFFAOYSA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)(C[NH+]1CCCC1)NC1CNC1 308616213 573538896 /nfs/dbraw/zinc/53/88/96/573538896.db2.gz VIQNTEGDHAPFIS-UHFFFAOYSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H]1NC[C@H]1CC[C@@H]([NH3+])C1 257829202 573538951 /nfs/dbraw/zinc/53/89/51/573538951.db2.gz IPLILFJFFMNDCW-HBNTYKKESA-N 1 3 197.326 0.755 10 0 ACAEHO CCC[NH2+]CC(C)(C)CN 86639841 573539170 /nfs/dbraw/zinc/53/91/70/573539170.db2.gz NIHWNAQVNIVOEW-UHFFFAOYSA-N 1 3 144.262 0.971 10 0 ACAEHO C[C@@H](CN(C)C)N[C@H]1CCC[NH2+]C1 130310032 573539096 /nfs/dbraw/zinc/53/90/96/573539096.db2.gz QWPQIPDKCZBRKD-UWVGGRQHSA-N 1 3 185.315 0.278 10 0 ACAEHO CCOC[C@H](C)N[C@@H](C)C1C[NH2+]C1 686246558 573539271 /nfs/dbraw/zinc/53/92/71/573539271.db2.gz UGFMPTOMLBUNPI-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO CN1CCC[C@@H]1NC[C@H]1CC[C@H]([NH3+])C1 257829200 573539277 /nfs/dbraw/zinc/53/92/77/573539277.db2.gz IPLILFJFFMNDCW-GARJFASQSA-N 1 3 197.326 0.755 10 0 ACAEHO CCOC[C@H](C)[NH2+][C@@H](C)C1CNC1 686246558 573539278 /nfs/dbraw/zinc/53/92/78/573539278.db2.gz UGFMPTOMLBUNPI-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO CN(C)CCc1noc(/C=C\C[NH3+])n1 308615143 573539654 /nfs/dbraw/zinc/53/96/54/573539654.db2.gz ZSQPXBNZTPRKFL-ARJAWSKDSA-N 1 3 196.254 0.146 10 0 ACAEHO CCN1CC[C@H](N[C@@H](C)C2C[NH2+]C2)C1 686246771 573540788 /nfs/dbraw/zinc/54/07/88/573540788.db2.gz CZUVYCPNURGQLS-ONGXEEELSA-N 1 3 197.326 0.278 10 0 ACAEHO CN(C)CCc1noc(/C=C/C[NH3+])n1 308615146 573540789 /nfs/dbraw/zinc/54/07/89/573540789.db2.gz ZSQPXBNZTPRKFL-ONEGZZNKSA-N 1 3 196.254 0.146 10 0 ACAEHO CC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686246616 573540450 /nfs/dbraw/zinc/54/04/50/573540450.db2.gz WDHYWOXANGCJIT-SFYZADRCSA-N 1 3 156.273 0.982 10 0 ACAEHO CCN1CC[C@H](N[C@H](C)C2C[NH2+]C2)C1 686246769 573540534 /nfs/dbraw/zinc/54/05/34/573540534.db2.gz CZUVYCPNURGQLS-KOLCDFICSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H](C[NH3+])N(CCO)C(C)(C)C 689968946 573540973 /nfs/dbraw/zinc/54/09/73/573540973.db2.gz VNXDVAAEPKEBIX-QMMMGPOBSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](NCC(C)(C)N(C)C)C1C[NH2+]C1 686246806 573541009 /nfs/dbraw/zinc/54/10/09/573541009.db2.gz FOPRWTQUOZMOHS-VIFPVBQESA-N 1 3 199.342 0.524 10 0 ACAEHO CN1CCC[C@@H]1NC[C@@H]1CC[C@H]([NH3+])C1 257829203 573541051 /nfs/dbraw/zinc/54/10/51/573541051.db2.gz IPLILFJFFMNDCW-OUAUKWLOSA-N 1 3 197.326 0.755 10 0 ACAEHO C[C@@H](NCCC(C)(C)O)C1C[NH2+]C1 686246837 573541162 /nfs/dbraw/zinc/54/11/62/573541162.db2.gz HUGWWDZKLVITSE-MRVPVSSYSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]([NH2+]CCC(C)(C)O)C1CNC1 686246837 573541166 /nfs/dbraw/zinc/54/11/66/573541166.db2.gz HUGWWDZKLVITSE-MRVPVSSYSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CCO)[N@@H+]1CCC[C@@H](N)C1 238434740 573541310 /nfs/dbraw/zinc/54/13/10/573541310.db2.gz SYRKRUFNFCOOEX-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CCO)[N@H+]1CCC[C@@H](N)C1 238434740 573541316 /nfs/dbraw/zinc/54/13/16/573541316.db2.gz SYRKRUFNFCOOEX-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN1CCC[C@@H]1NC[C@@H]1CC[C@@H]([NH3+])C1 257829201 573541407 /nfs/dbraw/zinc/54/14/07/573541407.db2.gz IPLILFJFFMNDCW-GMTAPVOTSA-N 1 3 197.326 0.755 10 0 ACAEHO C[C@H]([NH2+]CCC(C)(C)O)C1CNC1 686246838 573541861 /nfs/dbraw/zinc/54/18/61/573541861.db2.gz HUGWWDZKLVITSE-QMMMGPOBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](NCC(C)(C)N(C)C)C1C[NH2+]C1 686246805 573541835 /nfs/dbraw/zinc/54/18/35/573541835.db2.gz FOPRWTQUOZMOHS-SECBINFHSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@H](NCCC(C)(C)O)C1C[NH2+]C1 686246838 573541855 /nfs/dbraw/zinc/54/18/55/573541855.db2.gz HUGWWDZKLVITSE-QMMMGPOBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]([NH3+])CCNCCc1ccccn1 258767507 573543282 /nfs/dbraw/zinc/54/32/82/573543282.db2.gz NSTVWRFZSLIGLH-JTQLQIEISA-N 1 3 193.294 0.951 10 0 ACAEHO C[C@@H](O)CCCN[C@H](C)C1C[NH2+]C1 686246724 573542857 /nfs/dbraw/zinc/54/28/57/573542857.db2.gz APPCWNVSQIIOKB-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](O)CCC[NH2+][C@H](C)C1CNC1 686246724 573542863 /nfs/dbraw/zinc/54/28/63/573542863.db2.gz APPCWNVSQIIOKB-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO CO[C@H](C)CC[NH2+][C@@H](C)C1CNC1 686246797 573542963 /nfs/dbraw/zinc/54/29/63/573542963.db2.gz FEUYODFNPCCFDU-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H](C)CCN[C@@H](C)C1C[NH2+]C1 686246797 573542970 /nfs/dbraw/zinc/54/29/70/573542970.db2.gz FEUYODFNPCCFDU-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H](C)CC[NH2+][C@H](C)C1CNC1 686246800 573542987 /nfs/dbraw/zinc/54/29/87/573542987.db2.gz FEUYODFNPCCFDU-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H](C)CCN[C@H](C)C1C[NH2+]C1 686246800 573542993 /nfs/dbraw/zinc/54/29/93/573542993.db2.gz FEUYODFNPCCFDU-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CN(C)CCN[C@@H]1CC[NH2+]C(C)(C)C1 258770031 573543083 /nfs/dbraw/zinc/54/30/83/573543083.db2.gz PTASVWUWIRTHEY-SNVBAGLBSA-N 1 3 199.342 0.668 10 0 ACAEHO CC[C@@]1(NC[C@H]2CC[NH2+]C2)CCOC1 393532805 573543106 /nfs/dbraw/zinc/54/31/06/573543106.db2.gz YOCWHGLQTZJBKD-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO CN(C)CCN(CC[NH3+])C(C)(C)C 689968944 573543163 /nfs/dbraw/zinc/54/31/63/573543163.db2.gz HYDLYHJHYCJPRY-UHFFFAOYSA-N 1 3 187.331 0.607 10 0 ACAEHO CCN1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 686246768 573543320 /nfs/dbraw/zinc/54/33/20/573543320.db2.gz CZUVYCPNURGQLS-GXSJLCMTSA-N 1 3 197.326 0.278 10 0 ACAEHO CC(C)[C@@H](CO)N[C@H](C)C1C[NH2+]C1 686246756 573543334 /nfs/dbraw/zinc/54/33/34/573543334.db2.gz CEGGSYAWFHYTET-PSASIEDQSA-N 1 3 186.299 0.201 10 0 ACAEHO CC(C)[C@@H](CO)[NH2+][C@H](C)C1CNC1 686246756 573543339 /nfs/dbraw/zinc/54/33/39/573543339.db2.gz CEGGSYAWFHYTET-PSASIEDQSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](CN(C)C)N[C@@H]1CCC[NH2+]C1 130309782 573543970 /nfs/dbraw/zinc/54/39/70/573543970.db2.gz QWPQIPDKCZBRKD-NXEZZACHSA-N 1 3 185.315 0.278 10 0 ACAEHO NCc1nn(C2CC2)c2c1CNCC2 257825249 573543602 /nfs/dbraw/zinc/54/36/02/573543602.db2.gz HBUNLTQHJZKCTQ-UHFFFAOYSA-N 1 3 192.266 0.322 10 0 ACAEHO NCc1nn(C2CC2)c2c1C[NH2+]CC2 257825249 573543609 /nfs/dbraw/zinc/54/36/09/573543609.db2.gz HBUNLTQHJZKCTQ-UHFFFAOYSA-N 1 3 192.266 0.322 10 0 ACAEHO CC[C@H](CN[C@H](C)C1C[NH2+]C1)OC 686246574 573543665 /nfs/dbraw/zinc/54/36/65/573543665.db2.gz URMNGLHXZLZXFA-PSASIEDQSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@H](C[NH2+][C@H](C)C1CNC1)OC 686246574 573543672 /nfs/dbraw/zinc/54/36/72/573543672.db2.gz URMNGLHXZLZXFA-PSASIEDQSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H](CCO)[N@@H+]1CCCNCC1 238434690 573543857 /nfs/dbraw/zinc/54/38/57/573543857.db2.gz MYLDLMQIEGQEHY-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H](CCO)[N@H+]1CCCNCC1 238434690 573543864 /nfs/dbraw/zinc/54/38/64/573543864.db2.gz MYLDLMQIEGQEHY-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CNC[C@H](F)C[C@@H]1CCC[NH2+]C1 257825023 573543876 /nfs/dbraw/zinc/54/38/76/573543876.db2.gz GXWVASXCOZPUIM-DTWKUNHWSA-N 1 3 174.263 0.934 10 0 ACAEHO CC(C)[C@H](CO)N[C@@H](C)C1C[NH2+]C1 686246759 573544199 /nfs/dbraw/zinc/54/41/99/573544199.db2.gz CEGGSYAWFHYTET-WPRPVWTQSA-N 1 3 186.299 0.201 10 0 ACAEHO CNC[C@H](F)C[C@H]1CCC[NH2+]C1 257825025 573545176 /nfs/dbraw/zinc/54/51/76/573545176.db2.gz GXWVASXCOZPUIM-RKDXNWHRSA-N 1 3 174.263 0.934 10 0 ACAEHO N[C@@H]1CC[N@@H+]([C@@H]2CCO[C@@H]2C2CC2)C1 236300256 573545377 /nfs/dbraw/zinc/54/53/77/573545377.db2.gz JILJWMMSFUMUSR-GMTAPVOTSA-N 1 3 196.294 0.587 10 0 ACAEHO N[C@@H]1CC[N@H+]([C@@H]2CCO[C@@H]2C2CC2)C1 236300256 573545382 /nfs/dbraw/zinc/54/53/82/573545382.db2.gz JILJWMMSFUMUSR-GMTAPVOTSA-N 1 3 196.294 0.587 10 0 ACAEHO CC[C@H](C)[NH2+][C@@H](C)C1CNC1 686246617 573545401 /nfs/dbraw/zinc/54/54/01/573545401.db2.gz WDHYWOXANGCJIT-YUMQZZPRSA-N 1 3 156.273 0.982 10 0 ACAEHO CCN1CC[C@@H](N[C@H](C)C2C[NH2+]C2)C1 686246770 573545425 /nfs/dbraw/zinc/54/54/25/573545425.db2.gz CZUVYCPNURGQLS-MWLCHTKSSA-N 1 3 197.326 0.278 10 0 ACAEHO CNC[C@@H](F)C[C@@H]1CCC[NH2+]C1 257825024 573545482 /nfs/dbraw/zinc/54/54/82/573545482.db2.gz GXWVASXCOZPUIM-IUCAKERBSA-N 1 3 174.263 0.934 10 0 ACAEHO C[C@H](O)CCCN[C@H](C)C1C[NH2+]C1 686246722 573545728 /nfs/dbraw/zinc/54/57/28/573545728.db2.gz APPCWNVSQIIOKB-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](O)CCC[NH2+][C@H](C)C1CNC1 686246722 573545731 /nfs/dbraw/zinc/54/57/31/573545731.db2.gz APPCWNVSQIIOKB-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CN(C)C)NC[C@H]1CCC[NH2+]C1 130340214 573545736 /nfs/dbraw/zinc/54/57/36/573545736.db2.gz OKLYEAYZUZCWKH-MNOVXSKESA-N 1 3 199.342 0.526 10 0 ACAEHO CC[NH2+]CCN[C@H]1CCCN(C)C1 258768020 573545759 /nfs/dbraw/zinc/54/57/59/573545759.db2.gz ANQZWHIHVMEXFN-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO C[C@H](NCCC[C@@H](C)O)C1C[NH2+]C1 686246721 573545762 /nfs/dbraw/zinc/54/57/62/573545762.db2.gz APPCWNVSQIIOKB-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]([NH2+]CCC[C@@H](C)O)C1CNC1 686246721 573545765 /nfs/dbraw/zinc/54/57/65/573545765.db2.gz APPCWNVSQIIOKB-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)[C@H](CO)N[C@H](C)C1C[NH2+]C1 686246757 573545783 /nfs/dbraw/zinc/54/57/83/573545783.db2.gz CEGGSYAWFHYTET-SCZZXKLOSA-N 1 3 186.299 0.201 10 0 ACAEHO CC(C)[C@H](CO)[NH2+][C@H](C)C1CNC1 686246757 573545787 /nfs/dbraw/zinc/54/57/87/573545787.db2.gz CEGGSYAWFHYTET-SCZZXKLOSA-N 1 3 186.299 0.201 10 0 ACAEHO C[C@H](C[NH3+])N(CCO)C(C)(C)C 689968943 573545809 /nfs/dbraw/zinc/54/58/09/573545809.db2.gz VNXDVAAEPKEBIX-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](CN(C)C)N[C@H]1CCC[C@H]([NH3+])C1 130335331 573547427 /nfs/dbraw/zinc/54/74/27/573547427.db2.gz QWCFOSQJSLCEEW-VWYCJHECSA-N 1 3 199.342 0.796 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@@H]1CCF 259505598 573549091 /nfs/dbraw/zinc/54/90/91/573549091.db2.gz ZCAKKSVIWVNJQG-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO C[N@@H+]1CCC[C@@H](NC/C=C/CO)CC1 717479035 573547040 /nfs/dbraw/zinc/54/70/40/573547040.db2.gz SCDCLYXLZNQXTI-KXMPLOMGSA-N 1 3 198.310 0.609 10 0 ACAEHO C[N@H+]1CCC[C@@H](NC/C=C/CO)CC1 717479035 573547042 /nfs/dbraw/zinc/54/70/42/573547042.db2.gz SCDCLYXLZNQXTI-KXMPLOMGSA-N 1 3 198.310 0.609 10 0 ACAEHO CN1CCC[C@@H]([NH2+]C/C=C/CO)CC1 717479035 573547048 /nfs/dbraw/zinc/54/70/48/573547048.db2.gz SCDCLYXLZNQXTI-KXMPLOMGSA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@H]1CCC[N@@H+]1C1CC(N)C1 86658223 573547075 /nfs/dbraw/zinc/54/70/75/573547075.db2.gz BEDVQWYSAYCJGF-UEJVZZJDSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1CCC[N@H+]1C1CC(N)C1 86658223 573547076 /nfs/dbraw/zinc/54/70/76/573547076.db2.gz BEDVQWYSAYCJGF-UEJVZZJDSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H](CN(C)C)NC[C@H]1CCC[NH2+]C1 130339971 573547210 /nfs/dbraw/zinc/54/72/10/573547210.db2.gz OKLYEAYZUZCWKH-QWRGUYRKSA-N 1 3 199.342 0.526 10 0 ACAEHO NCC1([C@H]([NH3+])C2CCCC2)COC1 259502669 573547266 /nfs/dbraw/zinc/54/72/66/573547266.db2.gz QZSAMFVTNXEONA-SECBINFHSA-N 1 3 184.283 0.479 10 0 ACAEHO CC(C)(C)[C@H]([NH3+])C[C@H]1CNCCO1 259504207 573547527 /nfs/dbraw/zinc/54/75/27/573547527.db2.gz RCWHDTJELSJMAJ-DTWKUNHWSA-N 1 3 186.299 0.738 10 0 ACAEHO CN1CCC[C@@H]([C@H]([NH3+])C2(CO)CC2)C1 259502719 573547560 /nfs/dbraw/zinc/54/75/60/573547560.db2.gz RANIBJFHMYOXMK-ZJUUUORDSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CCC[C@@H]([C@H](N)C2(CO)CC2)C1 259502719 573547567 /nfs/dbraw/zinc/54/75/67/573547567.db2.gz RANIBJFHMYOXMK-ZJUUUORDSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CCC[C@@H]([C@H](N)C2(CO)CC2)C1 259502719 573547570 /nfs/dbraw/zinc/54/75/70/573547570.db2.gz RANIBJFHMYOXMK-ZJUUUORDSA-N 1 3 198.310 0.428 10 0 ACAEHO CC[N@H+](C)CCO[C@@H](C)C(=N)NO 393534151 573547767 /nfs/dbraw/zinc/54/77/67/573547767.db2.gz FZFXNFQZWGHIRR-ZETCQYMHSA-N 1 3 189.259 0.299 10 0 ACAEHO CC[N@@H+](C)CCO[C@@H](C)C(=N)NO 393534151 573547773 /nfs/dbraw/zinc/54/77/73/573547773.db2.gz FZFXNFQZWGHIRR-ZETCQYMHSA-N 1 3 189.259 0.299 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@H]1CCF 259505599 573547815 /nfs/dbraw/zinc/54/78/15/573547815.db2.gz ZCAKKSVIWVNJQG-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO CC(C)(C)[C@@H]([NH3+])C[C@@H]1CNCCO1 259504203 573547851 /nfs/dbraw/zinc/54/78/51/573547851.db2.gz RCWHDTJELSJMAJ-BDAKNGLRSA-N 1 3 186.299 0.738 10 0 ACAEHO C[N@@H+]1CCC[C@H](NC/C=C\CO)CC1 717479039 573548281 /nfs/dbraw/zinc/54/82/81/573548281.db2.gz SCDCLYXLZNQXTI-QUCGXOGASA-N 1 3 198.310 0.609 10 0 ACAEHO C[N@H+]1CCC[C@H](NC/C=C\CO)CC1 717479039 573548286 /nfs/dbraw/zinc/54/82/86/573548286.db2.gz SCDCLYXLZNQXTI-QUCGXOGASA-N 1 3 198.310 0.609 10 0 ACAEHO CN1CCC[C@H]([NH2+]C/C=C\CO)CC1 717479039 573548292 /nfs/dbraw/zinc/54/82/92/573548292.db2.gz SCDCLYXLZNQXTI-QUCGXOGASA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@H](CN(C)C)NC[C@@H]1CCC[NH2+]C1 130339742 573548339 /nfs/dbraw/zinc/54/83/39/573548339.db2.gz OKLYEAYZUZCWKH-GHMZBOCLSA-N 1 3 199.342 0.526 10 0 ACAEHO CN1CC[NH2+][C@@H]([C@@H](N)C2CCCC2)C1 259504086 573548443 /nfs/dbraw/zinc/54/84/43/573548443.db2.gz RCDOJYCXHQSCEF-MNOVXSKESA-N 1 3 197.326 0.408 10 0 ACAEHO COCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686247003 573549052 /nfs/dbraw/zinc/54/90/52/573549052.db2.gz QVVAYGPLPZDEAG-BDAKNGLRSA-N 1 3 186.299 0.609 10 0 ACAEHO CCC[C@@H]([NH3+])C[C@H]1CN(C)CCN1 259119178 573548623 /nfs/dbraw/zinc/54/86/23/573548623.db2.gz AHZBMZDZKBSETL-ZJUUUORDSA-N 1 3 185.315 0.408 10 0 ACAEHO COCC[C@H](C)[NH2+][C@@H](C)C1CNC1 686247005 573548716 /nfs/dbraw/zinc/54/87/16/573548716.db2.gz QVVAYGPLPZDEAG-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO CN1CCC[C@H]([C@@H]([NH3+])C2(CO)CC2)C1 259502717 573548807 /nfs/dbraw/zinc/54/88/07/573548807.db2.gz RANIBJFHMYOXMK-VHSXEESVSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CCC[C@H]([C@@H](N)C2(CO)CC2)C1 259502717 573548813 /nfs/dbraw/zinc/54/88/13/573548813.db2.gz RANIBJFHMYOXMK-VHSXEESVSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CCC[C@H]([C@@H](N)C2(CO)CC2)C1 259502717 573548820 /nfs/dbraw/zinc/54/88/20/573548820.db2.gz RANIBJFHMYOXMK-VHSXEESVSA-N 1 3 198.310 0.428 10 0 ACAEHO CN1CCC(c2oncc2C[NH3+])CC1 257825808 573548939 /nfs/dbraw/zinc/54/89/39/573548939.db2.gz HIRBQYXFAIFJLF-UHFFFAOYSA-N 1 3 195.266 0.943 10 0 ACAEHO NCC1([C@@H]([NH3+])C2CCCC2)COC1 259502671 573548985 /nfs/dbraw/zinc/54/89/85/573548985.db2.gz QZSAMFVTNXEONA-VIFPVBQESA-N 1 3 184.283 0.479 10 0 ACAEHO Cn1ccnc1N[C@@H](C[NH3+])C1CC1 83565650 573551750 /nfs/dbraw/zinc/55/17/50/573551750.db2.gz NVUALCPSVHPGJH-QMMMGPOBSA-N 1 3 180.255 0.569 10 0 ACAEHO CN1CC[NH2+][C@H]([C@@H](N)C2CCCC2)C1 259504088 573550283 /nfs/dbraw/zinc/55/02/83/573550283.db2.gz RCDOJYCXHQSCEF-QWRGUYRKSA-N 1 3 197.326 0.408 10 0 ACAEHO CC(C)C1CN(CCC[NH3+])C1 86663367 573550316 /nfs/dbraw/zinc/55/03/16/573550316.db2.gz RREYEPPTDSFQAI-UHFFFAOYSA-N 1 3 156.273 0.923 10 0 ACAEHO CN1CCC[C@@H]([C@@H]([NH3+])C2(CO)CC2)C1 259502713 573550380 /nfs/dbraw/zinc/55/03/80/573550380.db2.gz RANIBJFHMYOXMK-NXEZZACHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CCC[C@@H]([C@@H](N)C2(CO)CC2)C1 259502713 573550385 /nfs/dbraw/zinc/55/03/85/573550385.db2.gz RANIBJFHMYOXMK-NXEZZACHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CCC[C@@H]([C@@H](N)C2(CO)CC2)C1 259502713 573550392 /nfs/dbraw/zinc/55/03/92/573550392.db2.gz RANIBJFHMYOXMK-NXEZZACHSA-N 1 3 198.310 0.428 10 0 ACAEHO CC(C)(C)[C@H]([NH3+])C[C@@H]1CNCCO1 259504212 573550453 /nfs/dbraw/zinc/55/04/53/573550453.db2.gz RCWHDTJELSJMAJ-RKDXNWHRSA-N 1 3 186.299 0.738 10 0 ACAEHO CCO[C@@]1(CNC)CC[N@H+](CC)C1 257825618 573550584 /nfs/dbraw/zinc/55/05/84/573550584.db2.gz HEYZPVALGSXKOG-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CCO[C@@]1(CNC)CC[N@@H+](CC)C1 257825618 573550598 /nfs/dbraw/zinc/55/05/98/573550598.db2.gz HEYZPVALGSXKOG-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO COCC[C@H](C)[NH2+][C@H](C)C1CNC1 686247004 573550653 /nfs/dbraw/zinc/55/06/53/573550653.db2.gz QVVAYGPLPZDEAG-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO CC(C)[NH2+]C1CC(N)C1 86662787 573550662 /nfs/dbraw/zinc/55/06/62/573550662.db2.gz LNFKBCQKOWIGTJ-UHFFFAOYSA-N 1 3 128.219 0.474 10 0 ACAEHO CC(C)NC1CC([NH3+])C1 86662787 573550669 /nfs/dbraw/zinc/55/06/69/573550669.db2.gz LNFKBCQKOWIGTJ-UHFFFAOYSA-N 1 3 128.219 0.474 10 0 ACAEHO C[C@H]([NH2+]CCCCCO)C1CNC1 686246951 573551001 /nfs/dbraw/zinc/55/10/01/573551001.db2.gz NQLYDNMJFYWAEK-VIFPVBQESA-N 1 3 186.299 0.347 10 0 ACAEHO CC(C)C[C@@H]([NH3+])[C@@H](C)CN 259120304 573551054 /nfs/dbraw/zinc/55/10/54/573551054.db2.gz BYVXZYACBFZWCN-JGVFFNPUSA-N 1 3 144.262 0.955 10 0 ACAEHO [NH3+]C1(CCc2ncc3n2CCN3)CC1 257826250 573551107 /nfs/dbraw/zinc/55/11/07/573551107.db2.gz HMYGABGTYCGZRS-UHFFFAOYSA-N 1 3 192.266 0.733 10 0 ACAEHO CCO[C@]1(CNC)CC[N@H+](CC)C1 257825616 573551143 /nfs/dbraw/zinc/55/11/43/573551143.db2.gz HEYZPVALGSXKOG-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CCO[C@]1(CNC)CC[N@@H+](CC)C1 257825616 573551148 /nfs/dbraw/zinc/55/11/48/573551148.db2.gz HEYZPVALGSXKOG-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H]1CCN1C1CC[NH2+]CC1 86662937 573551165 /nfs/dbraw/zinc/55/11/65/573551165.db2.gz RVBDFIHUTJRGNS-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO CCO[C@@]1(CN)CCC[N@H+](C)C1 257825994 573551166 /nfs/dbraw/zinc/55/11/66/573551166.db2.gz HHZQYBMBPZWCPB-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C1CCNCC1 86662937 573551172 /nfs/dbraw/zinc/55/11/72/573551172.db2.gz RVBDFIHUTJRGNS-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO CCO[C@@]1(CN)CCC[N@@H+](C)C1 257825994 573551173 /nfs/dbraw/zinc/55/11/73/573551173.db2.gz HHZQYBMBPZWCPB-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H]1CC[N@H+]1C1CCNCC1 86662937 573551176 /nfs/dbraw/zinc/55/11/76/573551176.db2.gz RVBDFIHUTJRGNS-MRVPVSSYSA-N 1 3 154.257 0.833 10 0 ACAEHO [NH3+][C@H]1CNCC[C@H]1CCF 259505601 573551263 /nfs/dbraw/zinc/55/12/63/573551263.db2.gz ZCAKKSVIWVNJQG-RQJHMYQMSA-N 1 3 146.209 0.283 10 0 ACAEHO CCC1CN(CCN2CC[NH2+]CC2)C1 86663067 573551354 /nfs/dbraw/zinc/55/13/54/573551354.db2.gz AJYKUVAGAVLASE-UHFFFAOYSA-N 1 3 197.326 0.233 10 0 ACAEHO CC(C)N[C@@H]1C[C@@H]1[NH3+] 86662699 573551416 /nfs/dbraw/zinc/55/14/16/573551416.db2.gz RXALJZRQDXARNM-NTSWFWBYSA-N 1 3 114.192 0.084 10 0 ACAEHO C[C@@H]([NH2+]C[C@@H]1CCOC1)C1CNC1 686247177 573551451 /nfs/dbraw/zinc/55/14/51/573551451.db2.gz WTAICCMTYUYBAJ-BDAKNGLRSA-N 1 3 184.283 0.220 10 0 ACAEHO CC(C)[C@@H](C[NH3+])Nc1nccn1C 83568962 573551488 /nfs/dbraw/zinc/55/14/88/573551488.db2.gz HKALFFQTAOMRDV-MRVPVSSYSA-N 1 3 182.271 0.815 10 0 ACAEHO CN1CC[NH2+][C@@H]([C@H](N)C2CCCC2)C1 259504083 573551601 /nfs/dbraw/zinc/55/16/01/573551601.db2.gz RCDOJYCXHQSCEF-GHMZBOCLSA-N 1 3 197.326 0.408 10 0 ACAEHO CC[C@@H](C)[NH2+]C1CC(N)C1 86662789 573551623 /nfs/dbraw/zinc/55/16/23/573551623.db2.gz TWUDDALDVMDSKJ-JECWYVHBSA-N 1 3 142.246 0.864 10 0 ACAEHO CC[C@@H](C)NC1CC([NH3+])C1 86662789 573551627 /nfs/dbraw/zinc/55/16/27/573551627.db2.gz TWUDDALDVMDSKJ-JECWYVHBSA-N 1 3 142.246 0.864 10 0 ACAEHO CC(C)[C@H](C[NH3+])Nc1nccn1C 83568964 573551683 /nfs/dbraw/zinc/55/16/83/573551683.db2.gz HKALFFQTAOMRDV-QMMMGPOBSA-N 1 3 182.271 0.815 10 0 ACAEHO C[C@H]1CN(C)CCCN1CC1([NH3+])CC1 235615388 573554617 /nfs/dbraw/zinc/55/46/17/573554617.db2.gz BEJVYIJOLKJYRT-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1CCN1CCC[NH3+] 86663363 573551990 /nfs/dbraw/zinc/55/19/90/573551990.db2.gz SOMCTBBLHKQCPE-SSDOTTSWSA-N 1 3 128.219 0.429 10 0 ACAEHO CC[C@H](C)[NH2+]C1CC(N)C1 86662790 573552098 /nfs/dbraw/zinc/55/20/98/573552098.db2.gz TWUDDALDVMDSKJ-KKMMWDRVSA-N 1 3 142.246 0.864 10 0 ACAEHO CC[C@H](C)NC1CC([NH3+])C1 86662790 573552103 /nfs/dbraw/zinc/55/21/03/573552103.db2.gz TWUDDALDVMDSKJ-KKMMWDRVSA-N 1 3 142.246 0.864 10 0 ACAEHO CN1CCC[C@H]([C@H]([NH3+])C2(CO)CC2)C1 259502715 573552270 /nfs/dbraw/zinc/55/22/70/573552270.db2.gz RANIBJFHMYOXMK-UWVGGRQHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@@H+]1CCC[C@H]([C@H](N)C2(CO)CC2)C1 259502715 573552276 /nfs/dbraw/zinc/55/22/76/573552276.db2.gz RANIBJFHMYOXMK-UWVGGRQHSA-N 1 3 198.310 0.428 10 0 ACAEHO C[N@H+]1CCC[C@H]([C@H](N)C2(CO)CC2)C1 259502715 573552279 /nfs/dbraw/zinc/55/22/79/573552279.db2.gz RANIBJFHMYOXMK-UWVGGRQHSA-N 1 3 198.310 0.428 10 0 ACAEHO CC(C)C[C@H]([NH3+])[C@@H](C)CN 259120307 573552370 /nfs/dbraw/zinc/55/23/70/573552370.db2.gz BYVXZYACBFZWCN-YUMQZZPRSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@@H]([C@@H]1CCC[NH2+]C1)N(C)C 86663347 573552421 /nfs/dbraw/zinc/55/24/21/573552421.db2.gz FOQHPVBUUSTCRA-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]([C@@H]1CCCNC1)[NH+](C)C 86663347 573552428 /nfs/dbraw/zinc/55/24/28/573552428.db2.gz FOQHPVBUUSTCRA-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]([NH3+])CC1CN(C)C1 107395882 573552517 /nfs/dbraw/zinc/55/25/17/573552517.db2.gz LWIAMPWYWHKIDP-LURJTMIESA-N 1 3 128.219 0.285 10 0 ACAEHO CC(C)C[C@@H]([NH3+])[C@H](C)CN 259120303 573552550 /nfs/dbraw/zinc/55/25/50/573552550.db2.gz BYVXZYACBFZWCN-HTQZYQBOSA-N 1 3 144.262 0.955 10 0 ACAEHO CC(C)(C)[C@@H]([NH3+])C[C@H]1CNCCO1 259504210 573552623 /nfs/dbraw/zinc/55/26/23/573552623.db2.gz RCWHDTJELSJMAJ-IUCAKERBSA-N 1 3 186.299 0.738 10 0 ACAEHO CCC1CN(CCC[NH3+])C1 86663361 573552693 /nfs/dbraw/zinc/55/26/93/573552693.db2.gz WQAIBBXXXFCIFR-UHFFFAOYSA-N 1 3 142.246 0.677 10 0 ACAEHO C[C@@H]([NH2+]CCCCCO)C1CNC1 686246950 573552719 /nfs/dbraw/zinc/55/27/19/573552719.db2.gz NQLYDNMJFYWAEK-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO C[C@@H]([NH3+])CC1CN(C)C1 107395884 573552968 /nfs/dbraw/zinc/55/29/68/573552968.db2.gz LWIAMPWYWHKIDP-ZCFIWIBFSA-N 1 3 128.219 0.285 10 0 ACAEHO CC(C)N[C@H]1C[C@H]1[NH3+] 86662702 573553158 /nfs/dbraw/zinc/55/31/58/573553158.db2.gz RXALJZRQDXARNM-RITPCOANSA-N 1 3 114.192 0.084 10 0 ACAEHO CC1(C)CN(CCN2CC[NH2+]CC2)C1 86663078 573554441 /nfs/dbraw/zinc/55/44/41/573554441.db2.gz FIMOOTHHSJBBHI-UHFFFAOYSA-N 1 3 197.326 0.233 10 0 ACAEHO C[C@@H]([C@H]1CCC[NH2+]C1)N(C)C 86663349 573553248 /nfs/dbraw/zinc/55/32/48/573553248.db2.gz FOQHPVBUUSTCRA-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]([C@H]1CCCNC1)[NH+](C)C 86663349 573553250 /nfs/dbraw/zinc/55/32/50/573553250.db2.gz FOQHPVBUUSTCRA-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)N[C@H]1C[C@@H]1[NH3+] 86662700 573553268 /nfs/dbraw/zinc/55/32/68/573553268.db2.gz RXALJZRQDXARNM-WDSKDSINSA-N 1 3 114.192 0.084 10 0 ACAEHO O[C@@H]1CC[NH2+]C[C@@H]1CN1CCCC1 257826494 573553287 /nfs/dbraw/zinc/55/32/87/573553287.db2.gz HOLCLLIFPVZEIX-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1CCN1CCC[NH3+] 86663364 573553325 /nfs/dbraw/zinc/55/33/25/573553325.db2.gz SOMCTBBLHKQCPE-ZETCQYMHSA-N 1 3 128.219 0.429 10 0 ACAEHO C[C@H]1CCN1C1CC([NH3+])C1 86662781 573553439 /nfs/dbraw/zinc/55/34/39/573553439.db2.gz TZQCOJKQWSWEBA-KKMMWDRVSA-N 1 3 140.230 0.570 10 0 ACAEHO C[C@H]([C@@H]1CCC[NH2+]C1)N(C)C 86663348 573553511 /nfs/dbraw/zinc/55/35/11/573553511.db2.gz FOQHPVBUUSTCRA-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]([C@@H]1CCCNC1)[NH+](C)C 86663348 573553516 /nfs/dbraw/zinc/55/35/16/573553516.db2.gz FOQHPVBUUSTCRA-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1CCN1C1CC[NH2+]CC1 86662938 573553548 /nfs/dbraw/zinc/55/35/48/573553548.db2.gz RVBDFIHUTJRGNS-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H]1CC[N@@H+]1C1CCNCC1 86662938 573553553 /nfs/dbraw/zinc/55/35/53/573553553.db2.gz RVBDFIHUTJRGNS-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H]1CC[N@H+]1C1CCNCC1 86662938 573553558 /nfs/dbraw/zinc/55/35/58/573553558.db2.gz RVBDFIHUTJRGNS-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO Cn1ccnc1N[C@H](C[NH3+])C1CC1 83565651 573553686 /nfs/dbraw/zinc/55/36/86/573553686.db2.gz NVUALCPSVHPGJH-MRVPVSSYSA-N 1 3 180.255 0.569 10 0 ACAEHO O[C@@H]1CC[NH2+]C[C@H]1CN1CCCC1 257826496 573553758 /nfs/dbraw/zinc/55/37/58/573553758.db2.gz HOLCLLIFPVZEIX-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]([C@H]1CCC[NH2+]C1)N(C)C 86663350 573553806 /nfs/dbraw/zinc/55/38/06/573553806.db2.gz FOQHPVBUUSTCRA-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]([C@H]1CCCNC1)[NH+](C)C 86663350 573553813 /nfs/dbraw/zinc/55/38/13/573553813.db2.gz FOQHPVBUUSTCRA-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO O[C@H]1CC[NH2+]C[C@@H]1CN1CCCC1 257826497 573553887 /nfs/dbraw/zinc/55/38/87/573553887.db2.gz HOLCLLIFPVZEIX-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO CC(C)C[C@H]([NH3+])[C@H](C)CN 259120306 573554358 /nfs/dbraw/zinc/55/43/58/573554358.db2.gz BYVXZYACBFZWCN-SFYZADRCSA-N 1 3 144.262 0.955 10 0 ACAEHO NCC1([C@H]([NH3+])C2CCCCC2)COC1 259505670 573554464 /nfs/dbraw/zinc/55/44/64/573554464.db2.gz REJPKZLHNAUTID-SNVBAGLBSA-N 1 3 198.310 0.869 10 0 ACAEHO CN(C)CCNCC[C@@H]1CCCC[NH2+]1 258775700 573554484 /nfs/dbraw/zinc/55/44/84/573554484.db2.gz QHASAFMIVQTUKR-NSHDSACASA-N 1 3 199.342 0.670 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](N)c1cc[nH]c1 259507363 573556852 /nfs/dbraw/zinc/55/68/52/573556852.db2.gz UWPGMVJKDAWPDT-XPUUQOCRSA-N 1 3 153.229 0.609 10 0 ACAEHO CC[C@@H]1CN(CCC2C[NH2+]C2)CCO1 129498203 573556567 /nfs/dbraw/zinc/55/65/67/573556567.db2.gz NTKDDRLPJZWTHG-LLVKDONJSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]([NH2+]C1CCOCC1)C1CNC1 686247322 573556583 /nfs/dbraw/zinc/55/65/83/573556583.db2.gz XCEIKNZVIQNRHM-MRVPVSSYSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]([NH3+])CNCCc1ccc[nH]1 258775836 573557622 /nfs/dbraw/zinc/55/76/22/573557622.db2.gz OPWRPWXJGRNRAP-MRVPVSSYSA-N 1 3 167.256 0.494 10 0 ACAEHO C[C@H]([NH2+]C1CCOCC1)C1CNC1 686247323 573557720 /nfs/dbraw/zinc/55/77/20/573557720.db2.gz XCEIKNZVIQNRHM-QMMMGPOBSA-N 1 3 184.283 0.363 10 0 ACAEHO C[NH2+][C@H](C)CC1CN(C)C1 107396852 573557721 /nfs/dbraw/zinc/55/77/21/573557721.db2.gz OJLDQISIQZTPQI-SSDOTTSWSA-N 1 3 142.246 0.546 10 0 ACAEHO CN1CC(CC2([NH3+])CC2)C1 107396504 573557733 /nfs/dbraw/zinc/55/77/33/573557733.db2.gz YUZCPJIZOFFOHB-UHFFFAOYSA-N 1 3 140.230 0.429 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](N)c1cc[nH]c1 259507359 573557756 /nfs/dbraw/zinc/55/77/56/573557756.db2.gz UWPGMVJKDAWPDT-POYBYMJQSA-N 1 3 153.229 0.609 10 0 ACAEHO COC[C@@H]1C[C@H]([C@H]2CCCCN2)C[NH2+]1 258061307 573557829 /nfs/dbraw/zinc/55/78/29/573557829.db2.gz DVIUFEHMGIUXHJ-GARJFASQSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](C[NH3+])[C@H](N)c1cc[nH]c1 259507361 573558012 /nfs/dbraw/zinc/55/80/12/573558012.db2.gz UWPGMVJKDAWPDT-SVRRBLITSA-N 1 3 153.229 0.609 10 0 ACAEHO C[C@H]1CN(C)C[C@H](C)C1[NH3+] 107396863 573558064 /nfs/dbraw/zinc/55/80/64/573558064.db2.gz REHGUQDUHGIXBX-BQBZGAKWSA-N 1 3 142.246 0.531 10 0 ACAEHO CC1CN(CC[C@@H](C)[NH3+])C1 86678197 573558387 /nfs/dbraw/zinc/55/83/87/573558387.db2.gz XAUODXRDBUISOV-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CC1C[NH+]([C@@H]2CCC[C@H]2N)C1 86678272 573558433 /nfs/dbraw/zinc/55/84/33/573558433.db2.gz NQLRRWGESLHBDR-RKDXNWHRSA-N 1 3 154.257 0.818 10 0 ACAEHO NCC1([C@@H]([NH3+])C2CCCCC2)COC1 259505668 573558535 /nfs/dbraw/zinc/55/85/35/573558535.db2.gz REJPKZLHNAUTID-JTQLQIEISA-N 1 3 198.310 0.869 10 0 ACAEHO CCC[NH2+]CC1(CNC)CC1 258777601 573558556 /nfs/dbraw/zinc/55/85/56/573558556.db2.gz ZJIGTNDXPWDUCV-UHFFFAOYSA-N 1 3 156.273 0.986 10 0 ACAEHO C[NH2+][C@@H](C[C@H]1CNCCO1)C1CCC1 259614245 573558672 /nfs/dbraw/zinc/55/86/72/573558672.db2.gz YOMGCRMFSJFDIE-QWRGUYRKSA-N 1 3 198.310 0.753 10 0 ACAEHO CC1C[NH+]([C@H]2CCC[C@H]2N)C1 86678274 573561044 /nfs/dbraw/zinc/56/10/44/573561044.db2.gz NQLRRWGESLHBDR-BDAKNGLRSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CC(C[C@@H]2CCC[NH2+]2)C1 107398753 573561443 /nfs/dbraw/zinc/56/14/43/573561443.db2.gz KZXBWYMLLZBSJN-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO CC(=O)CC1([NH3+])CCNCC1 259507485 573561489 /nfs/dbraw/zinc/56/14/89/573561489.db2.gz ZGAHKNBMAFVJBE-UHFFFAOYSA-N 1 3 156.229 0.046 10 0 ACAEHO CC(=O)CC1(N)CC[NH2+]CC1 259507485 573561495 /nfs/dbraw/zinc/56/14/95/573561495.db2.gz ZGAHKNBMAFVJBE-UHFFFAOYSA-N 1 3 156.229 0.046 10 0 ACAEHO CC1C[NH+]([C@@H](C)CN)C1 86678882 573561613 /nfs/dbraw/zinc/56/16/13/573561613.db2.gz PWOAMAHHKCABGF-ZETCQYMHSA-N 1 3 128.219 0.285 10 0 ACAEHO C[NH2+]C[C@H]1CCCCN(C)C1 107399553 573561853 /nfs/dbraw/zinc/56/18/53/573561853.db2.gz NAMJWBCXSXHJDV-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO NC[C@H]1CCC[N@@H+]2CCC[C@@H]12 107398817 573561933 /nfs/dbraw/zinc/56/19/33/573561933.db2.gz XKNGGIOHWGDEHM-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@H]1CCC[N@H+]2CCC[C@@H]12 107398817 573561939 /nfs/dbraw/zinc/56/19/39/573561939.db2.gz XKNGGIOHWGDEHM-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO CNC[C@@H]1C[C@H]2CCC[N@@H+]2C1 107398811 573562078 /nfs/dbraw/zinc/56/20/78/573562078.db2.gz PEQTZXALEOXFFN-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@@H]1C[C@H]2CCC[N@H+]2C1 107398811 573562085 /nfs/dbraw/zinc/56/20/85/573562085.db2.gz PEQTZXALEOXFFN-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CN(C)CCN1CC[NH2+]C(C)(C)CC1 259112588 573562103 /nfs/dbraw/zinc/56/21/03/573562103.db2.gz BKTMWIOPJHFERV-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CNC[C@H]1C[C@@H]2CCC[N@@H+]2C1 107398810 573562234 /nfs/dbraw/zinc/56/22/34/573562234.db2.gz PEQTZXALEOXFFN-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@H]1C[C@@H]2CCC[N@H+]2C1 107398810 573562240 /nfs/dbraw/zinc/56/22/40/573562240.db2.gz PEQTZXALEOXFFN-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1CN(C)C[C@H]2CC[NH2+][C@H]12 107398767 573562415 /nfs/dbraw/zinc/56/24/15/573562415.db2.gz FYCODGYILQQRSY-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO NC[C@@H]1CCC[N@@H+]2CCC[C@@H]12 107398818 573562539 /nfs/dbraw/zinc/56/25/39/573562539.db2.gz XKNGGIOHWGDEHM-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CCC[N@H+]2CCC[C@@H]12 107398818 573562543 /nfs/dbraw/zinc/56/25/43/573562543.db2.gz XKNGGIOHWGDEHM-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1C[NH+]([C@H](C)CN)C1 86678884 573562554 /nfs/dbraw/zinc/56/25/54/573562554.db2.gz PWOAMAHHKCABGF-SSDOTTSWSA-N 1 3 128.219 0.285 10 0 ACAEHO CN1CC(C[C@H]2CC[NH2+]C2)C1 107398751 573562690 /nfs/dbraw/zinc/56/26/90/573562690.db2.gz UWQLFMJSGTYLJQ-MRVPVSSYSA-N 1 3 154.257 0.548 10 0 ACAEHO C[C@H](N)[C@H]1C[C@@H]2CCC[N@@H+]2C1 107398796 573562709 /nfs/dbraw/zinc/56/27/09/573562709.db2.gz ASTUWRCFOLKERK-CIUDSAMLSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](N)[C@H]1C[C@@H]2CCC[N@H+]2C1 107398796 573562714 /nfs/dbraw/zinc/56/27/14/573562714.db2.gz ASTUWRCFOLKERK-CIUDSAMLSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H](C[NH3+])CN[C@H](C)CN1CCCC1 308621208 573562729 /nfs/dbraw/zinc/56/27/29/573562729.db2.gz VRDHNZLGICJMOF-WDEREUQCSA-N 1 3 199.342 0.655 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H](C)CN1CCCC1 308621205 573563140 /nfs/dbraw/zinc/56/31/40/573563140.db2.gz VRDHNZLGICJMOF-GHMZBOCLSA-N 1 3 199.342 0.655 10 0 ACAEHO C[NH2+][C@H](C[C@@H]1CNCCO1)C1CCC1 259614243 573563157 /nfs/dbraw/zinc/56/31/57/573563157.db2.gz YOMGCRMFSJFDIE-GHMZBOCLSA-N 1 3 198.310 0.753 10 0 ACAEHO CN1CC[C@H](c2oncc2CC[NH3+])C1 257831212 573563175 /nfs/dbraw/zinc/56/31/75/573563175.db2.gz JHGZJUKFKPOSIB-VIFPVBQESA-N 1 3 195.266 0.595 10 0 ACAEHO CC[NH2+]CC1(CNC)CC1 258781637 573563209 /nfs/dbraw/zinc/56/32/09/573563209.db2.gz ZRLHFHWLXBXEGR-UHFFFAOYSA-N 1 3 142.246 0.596 10 0 ACAEHO CCNCC1(C[NH2+]C)CC1 258781637 573563211 /nfs/dbraw/zinc/56/32/11/573563211.db2.gz ZRLHFHWLXBXEGR-UHFFFAOYSA-N 1 3 142.246 0.596 10 0 ACAEHO C[NH2+]C[C@@H]1CCCCN(C)C1 107399551 573563227 /nfs/dbraw/zinc/56/32/27/573563227.db2.gz NAMJWBCXSXHJDV-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CNC[C@H]1C[C@H]2CCC[N@@H+]2C1 107398813 573563579 /nfs/dbraw/zinc/56/35/79/573563579.db2.gz PEQTZXALEOXFFN-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@H]1C[C@H]2CCC[N@H+]2C1 107398813 573563584 /nfs/dbraw/zinc/56/35/84/573563584.db2.gz PEQTZXALEOXFFN-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CC1CN(CC[C@H](C)[NH3+])C1 86678199 573564234 /nfs/dbraw/zinc/56/42/34/573564234.db2.gz XAUODXRDBUISOV-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@@H](CO)N(C)CCC[NH3+] 393535757 573564292 /nfs/dbraw/zinc/56/42/92/573564292.db2.gz XTMXYSVMMIDPLG-QMMMGPOBSA-N 1 3 160.261 0.038 10 0 ACAEHO CN1CC(C[C@@H]2CC[NH2+]C2)C1 107398749 573564302 /nfs/dbraw/zinc/56/43/02/573564302.db2.gz UWQLFMJSGTYLJQ-QMMMGPOBSA-N 1 3 154.257 0.548 10 0 ACAEHO CN1CC[C@@H]2[NH2+]CC[C@@]2(C(F)F)C1 257831160 573564567 /nfs/dbraw/zinc/56/45/67/573564567.db2.gz JFRWTKDREXOIGM-IONNQARKSA-N 1 3 190.237 0.935 10 0 ACAEHO CC1C[NH+]([C@H]2CCC[C@@H]2N)C1 86678270 573564403 /nfs/dbraw/zinc/56/44/03/573564403.db2.gz NQLRRWGESLHBDR-IUCAKERBSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CC(C[C@H]2CCC[NH2+]2)C1 107398755 573564520 /nfs/dbraw/zinc/56/45/20/573564520.db2.gz KZXBWYMLLZBSJN-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO CN1CC[C@H]2[NH2+]CC[C@@]2(C(F)F)C1 257831163 573564634 /nfs/dbraw/zinc/56/46/34/573564634.db2.gz JFRWTKDREXOIGM-VXNVDRBHSA-N 1 3 190.237 0.935 10 0 ACAEHO C[C@H](N)[C@@H]1C[C@@H]2CCC[N@@H+]2C1 107398792 573564638 /nfs/dbraw/zinc/56/46/38/573564638.db2.gz ASTUWRCFOLKERK-YIZRAAEISA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](N)[C@@H]1C[C@@H]2CCC[N@H+]2C1 107398792 573564641 /nfs/dbraw/zinc/56/46/41/573564641.db2.gz ASTUWRCFOLKERK-YIZRAAEISA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](N)[C@H]1CC[N@@H+]2CCC[C@H]12 107398788 573565233 /nfs/dbraw/zinc/56/52/33/573565233.db2.gz KVYQPBNYOPCUSG-DJLDLDEBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](N)[C@H]1CC[N@H+]2CCC[C@H]12 107398788 573565236 /nfs/dbraw/zinc/56/52/36/573565236.db2.gz KVYQPBNYOPCUSG-DJLDLDEBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[NH2+]C(C)(C)CN(C)[C@H]1CCN(C)C1 258777812 573565139 /nfs/dbraw/zinc/56/51/39/573565139.db2.gz BENLARYKKOYULD-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CC1CN(C[C@@H](C)C[NH3+])C1 86682122 573565127 /nfs/dbraw/zinc/56/51/27/573565127.db2.gz UMXKXUDLRDKUEI-ZETCQYMHSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H](C[NH3+])CN[C@@H](C)CN1CCCC1 308621207 573565173 /nfs/dbraw/zinc/56/51/73/573565173.db2.gz VRDHNZLGICJMOF-QWRGUYRKSA-N 1 3 199.342 0.655 10 0 ACAEHO C[C@H](C[NH3+])CN1CC(C)(C)C1 86682110 573566390 /nfs/dbraw/zinc/56/63/90/573566390.db2.gz FNZBLSFVINTLFY-MRVPVSSYSA-N 1 3 156.273 0.923 10 0 ACAEHO CN1CC[C@@H](c2oncc2CC[NH3+])C1 257831211 573566860 /nfs/dbraw/zinc/56/68/60/573566860.db2.gz JHGZJUKFKPOSIB-SECBINFHSA-N 1 3 195.266 0.595 10 0 ACAEHO C[C@@H](C[NH3+])CN1CC[C@H]1C 86682185 573567887 /nfs/dbraw/zinc/56/78/87/573567887.db2.gz QVKYFWOQDYRNGL-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CCn1nc(CN)c2c1C[NH2+]CC2 257832317 573571370 /nfs/dbraw/zinc/57/13/70/573571370.db2.gz JYUVELIGTHEAPC-UHFFFAOYSA-N 1 3 180.255 0.007 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC[C@H]1C 86681967 573569188 /nfs/dbraw/zinc/56/91/88/573569188.db2.gz QHJJSKDTLULLBP-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO C[NH2+]C(C)(C)CN(C)[C@@H]1CCN(C)C1 258777814 573569336 /nfs/dbraw/zinc/56/93/36/573569336.db2.gz BENLARYKKOYULD-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO CN1CC[C@H](C[NH2+]CC(C)(C)CN)C1 258778161 573570673 /nfs/dbraw/zinc/57/06/73/573570673.db2.gz OWLXGABGJOIWGG-SNVBAGLBSA-N 1 3 199.342 0.513 10 0 ACAEHO C[NH2+]C/C=C1\CCN(C)C1 259113990 573572709 /nfs/dbraw/zinc/57/27/09/573572709.db2.gz FJMUNMRHMSDDMQ-FPYGCLRLSA-N 1 3 140.230 0.468 10 0 ACAEHO OCCCC[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 308634818 573571829 /nfs/dbraw/zinc/57/18/29/573571829.db2.gz AQEJJLWUVBHKRC-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCC[N@H+]1C[C@@H]2CCNC[C@@H]2C1 308634818 573571835 /nfs/dbraw/zinc/57/18/35/573571835.db2.gz AQEJJLWUVBHKRC-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 308634818 573571842 /nfs/dbraw/zinc/57/18/42/573571842.db2.gz AQEJJLWUVBHKRC-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO CN1CCC([C@@H](CO)[NH+](C)C)CC1 259113763 573571919 /nfs/dbraw/zinc/57/19/19/573571919.db2.gz RGVKJHSERGCHCQ-SNVBAGLBSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[C@H](NC)C(C)(C)[NH2+]C 259515257 573572033 /nfs/dbraw/zinc/57/20/33/573572033.db2.gz TTZTUEZNZSDRFG-ZETCQYMHSA-N 1 3 144.262 0.982 10 0 ACAEHO CC1=CCN(CCC[NH3+])CC1 75423238 573572132 /nfs/dbraw/zinc/57/21/32/573572132.db2.gz SWYULFGXEDGDPP-UHFFFAOYSA-N 1 3 154.257 0.987 10 0 ACAEHO OCCCC[N@H+]1C[C@@H]2CNCC[C@H]2C1 308634817 573572400 /nfs/dbraw/zinc/57/24/00/573572400.db2.gz AQEJJLWUVBHKRC-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCC[N@@H+]1C[C@@H]2CNCC[C@H]2C1 308634817 573572407 /nfs/dbraw/zinc/57/24/07/573572407.db2.gz AQEJJLWUVBHKRC-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCCN1C[C@@H]2C[NH2+]CC[C@H]2C1 308634817 573572412 /nfs/dbraw/zinc/57/24/12/573572412.db2.gz AQEJJLWUVBHKRC-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO C1C[C@@H]2C[C@@]3(CC[NH2+]C3)CN2C1 107403172 573572479 /nfs/dbraw/zinc/57/24/79/573572479.db2.gz NRODXTDYNISAED-NXEZZACHSA-N 1 3 166.268 0.834 10 0 ACAEHO OCCCC[N@@H+]1C[C@H]2CCNC[C@H]2C1 308634816 573572616 /nfs/dbraw/zinc/57/26/16/573572616.db2.gz AQEJJLWUVBHKRC-MNOVXSKESA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCC[N@H+]1C[C@H]2CCNC[C@H]2C1 308634816 573572619 /nfs/dbraw/zinc/57/26/19/573572619.db2.gz AQEJJLWUVBHKRC-MNOVXSKESA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCCN1C[C@H]2CC[NH2+]C[C@H]2C1 308634816 573572628 /nfs/dbraw/zinc/57/26/28/573572628.db2.gz AQEJJLWUVBHKRC-MNOVXSKESA-N 1 3 198.310 0.300 10 0 ACAEHO C[C@@H](CN)C[NH2+]CC1CCOCC1 258783466 573574018 /nfs/dbraw/zinc/57/40/18/573574018.db2.gz PHFJZTDXEDXBHR-VIFPVBQESA-N 1 3 186.299 0.597 10 0 ACAEHO C1C[C@H]2C[C@@]3(CC[NH2+]C3)CN2C1 107403175 573574398 /nfs/dbraw/zinc/57/43/98/573574398.db2.gz NRODXTDYNISAED-VHSXEESVSA-N 1 3 166.268 0.834 10 0 ACAEHO CN1CCCC[C@H]1[C@@H](C[NH3+])N1CCC1 214912302 573575841 /nfs/dbraw/zinc/57/58/41/573575841.db2.gz WLAPAXSJRVSPOI-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@H](C[NH2+]CCCN)CO1 145267108 573576010 /nfs/dbraw/zinc/57/60/10/573576010.db2.gz UDTSMCQHLNIYHC-RKDXNWHRSA-N 1 3 172.272 0.350 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1[C@@H](CN)N1CCCC1 214913144 573576072 /nfs/dbraw/zinc/57/60/72/573576072.db2.gz MASBQKZVQSZHNX-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@H+]1CCC[C@@H]1[C@@H](CN)N1CCCC1 214913144 573576076 /nfs/dbraw/zinc/57/60/76/573576076.db2.gz MASBQKZVQSZHNX-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC[C@@H]1[C@@H](CN)[NH+]1CCCC1 214913144 573576081 /nfs/dbraw/zinc/57/60/81/573576081.db2.gz MASBQKZVQSZHNX-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO COC[C@H](C)CN(C)CC[C@H](C)[NH3+] 308401954 573576630 /nfs/dbraw/zinc/57/66/30/573576630.db2.gz IWAPXDJPFVMZNC-ZJUUUORDSA-N 1 3 188.315 0.938 10 0 ACAEHO CN1CCC[C@@H]([C@@H]2[NH2+]CCO2)C1 258065413 573576205 /nfs/dbraw/zinc/57/62/05/573576205.db2.gz GUZMAWUGCWEGPC-RKDXNWHRSA-N 1 3 170.256 0.274 10 0 ACAEHO CN1CCCC[C@@H]1[C@@H](C[NH3+])N1CCC1 214912256 573576428 /nfs/dbraw/zinc/57/64/28/573576428.db2.gz WLAPAXSJRVSPOI-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@@H]([NH3+])/C(C)=C/[C@@H](N)CF 144390855 573576449 /nfs/dbraw/zinc/57/64/49/573576449.db2.gz CSXHZOOOLSTRPF-CTDODENGSA-N 1 3 160.236 0.967 10 0 ACAEHO [NH3+]C[C@@H]([C@H]1CCCCN1)N1CCCC1 214912194 573576474 /nfs/dbraw/zinc/57/64/74/573576474.db2.gz OFFGKQJEQGLAFQ-MNOVXSKESA-N 1 3 197.326 0.552 10 0 ACAEHO C[C@@H]1CC[C@@H](O)[C@@H](NCC[NH3+])C1 238444820 573576485 /nfs/dbraw/zinc/57/64/85/573576485.db2.gz IHCCHKJGRWTTIT-HRDYMLBCSA-N 1 3 172.272 0.084 10 0 ACAEHO [NH3+]C[C@@H]([C@@H]1CCCCN1)N1CCCC1 214912149 573577645 /nfs/dbraw/zinc/57/76/45/573577645.db2.gz OFFGKQJEQGLAFQ-QWRGUYRKSA-N 1 3 197.326 0.552 10 0 ACAEHO [NH3+]C[C@H]([C@@H]1CCCCN1)N1CCCC1 214912049 573577724 /nfs/dbraw/zinc/57/77/24/573577724.db2.gz OFFGKQJEQGLAFQ-WDEREUQCSA-N 1 3 197.326 0.552 10 0 ACAEHO CN1CC[C@@H](NCC(C)(C)C[NH3+])C1 258791405 573577728 /nfs/dbraw/zinc/57/77/28/573577728.db2.gz QEIJRGHJXWHXOG-SECBINFHSA-N 1 3 185.315 0.265 10 0 ACAEHO CN1CC[C@@H]([NH2+]CC(C)(C)CN)C1 258791405 573577732 /nfs/dbraw/zinc/57/77/32/573577732.db2.gz QEIJRGHJXWHXOG-SECBINFHSA-N 1 3 185.315 0.265 10 0 ACAEHO CN1CCC[C@@H](NCCC(C)(C)[NH3+])C1 258789565 573578036 /nfs/dbraw/zinc/57/80/36/573578036.db2.gz PXRQQSRMPNWMME-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H]1CC[C@H](N)[C@@H](C)[N@H+]1C 238443606 573588563 /nfs/dbraw/zinc/58/85/63/573588563.db2.gz ZVQIGWHBPACQQI-RNJXMRFFSA-N 1 3 142.246 0.816 10 0 ACAEHO COC[C@@H](C)CN(C)CC[C@@H](C)[NH3+] 308401951 573578309 /nfs/dbraw/zinc/57/83/09/573578309.db2.gz IWAPXDJPFVMZNC-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO C[C@@H]1CN(C)C[C@H]2CCC[NH2+][C@H]12 107404434 573578371 /nfs/dbraw/zinc/57/83/71/573578371.db2.gz PQMCJYUGLQUSCM-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO COCCCNCC[C@@H]1CCC[NH2+]1 258796267 573578776 /nfs/dbraw/zinc/57/87/76/573578776.db2.gz SCJPPUDAKWGXMH-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO CN1CCC[C@H](NCCC(C)(C)[NH3+])C1 258789562 573578917 /nfs/dbraw/zinc/57/89/17/573578917.db2.gz PXRQQSRMPNWMME-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238440443 573580988 /nfs/dbraw/zinc/58/09/88/573580988.db2.gz SSYKFVMMELQRAZ-AATLWQCWSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238440460 573579169 /nfs/dbraw/zinc/57/91/69/573579169.db2.gz SSYKFVMMELQRAZ-QEYWKRMJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238440460 573579174 /nfs/dbraw/zinc/57/91/74/573579174.db2.gz SSYKFVMMELQRAZ-QEYWKRMJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238440460 573579180 /nfs/dbraw/zinc/57/91/80/573579180.db2.gz SSYKFVMMELQRAZ-QEYWKRMJSA-N 1 3 184.283 0.321 10 0 ACAEHO CNCN(C)CC[C@@H]1CC[N@H+](C)C1 258795094 573579415 /nfs/dbraw/zinc/57/94/15/573579415.db2.gz CTWSOSQUCFTCLF-JTQLQIEISA-N 1 3 185.315 0.437 10 0 ACAEHO CNCN(C)CC[C@@H]1CC[N@@H+](C)C1 258795094 573579421 /nfs/dbraw/zinc/57/94/21/573579421.db2.gz CTWSOSQUCFTCLF-JTQLQIEISA-N 1 3 185.315 0.437 10 0 ACAEHO CN1CC[C@H](N(C)[C@@H](C[NH3+])C2CC2)C1 126537288 573579545 /nfs/dbraw/zinc/57/95/45/573579545.db2.gz GVCNUYUAZPFHJJ-QWRGUYRKSA-N 1 3 197.326 0.360 10 0 ACAEHO CN1CCC[C@@H]([C@H]2[NH2+]CCO2)C1 258065396 573579607 /nfs/dbraw/zinc/57/96/07/573579607.db2.gz GUZMAWUGCWEGPC-BDAKNGLRSA-N 1 3 170.256 0.274 10 0 ACAEHO CC[C@H]([NH3+])/C(C)=C/[C@@H](N)CF 144391035 573579936 /nfs/dbraw/zinc/57/99/36/573579936.db2.gz CSXHZOOOLSTRPF-SLQBNDFVSA-N 1 3 160.236 0.967 10 0 ACAEHO [NH3+]C[C@H]([C@H]1CCCCN1)N1CCCC1 214912100 573580030 /nfs/dbraw/zinc/58/00/30/573580030.db2.gz OFFGKQJEQGLAFQ-GHMZBOCLSA-N 1 3 197.326 0.552 10 0 ACAEHO CN1CC(C[C@H]2CCC[NH2+]C2)C1 107404353 573580062 /nfs/dbraw/zinc/58/00/62/573580062.db2.gz PRRHXXXKBUDNLV-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO NCc1cc(C[NH2+]C2CC2)ccn1 130441437 573580349 /nfs/dbraw/zinc/58/03/49/573580349.db2.gz QSDYPOQVUKOXIW-UHFFFAOYSA-N 1 3 177.251 0.792 10 0 ACAEHO COC[C@@H](C)CN(C)CC[C@H](C)[NH3+] 308401678 573580392 /nfs/dbraw/zinc/58/03/92/573580392.db2.gz IWAPXDJPFVMZNC-UWVGGRQHSA-N 1 3 188.315 0.938 10 0 ACAEHO C[NH2+]C(C)(C)CN[C@@H]1CCN(C)C1 258789350 573580412 /nfs/dbraw/zinc/58/04/12/573580412.db2.gz CIIQSYKDFXYNIS-SECBINFHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]CCCc1nnc[nH]1 308639681 573580506 /nfs/dbraw/zinc/58/05/06/573580506.db2.gz CNBNKWUBAFYYFD-HTQZYQBOSA-N 1 3 197.286 0.063 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]CCCc1nc[nH]n1 308639681 573580512 /nfs/dbraw/zinc/58/05/12/573580512.db2.gz CNBNKWUBAFYYFD-HTQZYQBOSA-N 1 3 197.286 0.063 10 0 ACAEHO OCCCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 308639666 573580653 /nfs/dbraw/zinc/58/06/53/573580653.db2.gz CMCVEMNYVPTNGM-GHMZBOCLSA-N 1 3 198.310 0.300 10 0 ACAEHO C[NH2+]CC(C)(C)C(C)(C)N 83645649 573580695 /nfs/dbraw/zinc/58/06/95/573580695.db2.gz ZBBFKOJZPIWXAH-UHFFFAOYSA-N 1 3 144.262 0.969 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CCCc1nnc[nH]1 308639682 573580805 /nfs/dbraw/zinc/58/08/05/573580805.db2.gz CNBNKWUBAFYYFD-JGVFFNPUSA-N 1 3 197.286 0.063 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CCCc1nc[nH]n1 308639682 573580807 /nfs/dbraw/zinc/58/08/07/573580807.db2.gz CNBNKWUBAFYYFD-JGVFFNPUSA-N 1 3 197.286 0.063 10 0 ACAEHO C[C@H](O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238440443 573580994 /nfs/dbraw/zinc/58/09/94/573580994.db2.gz SSYKFVMMELQRAZ-AATLWQCWSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238440443 573580998 /nfs/dbraw/zinc/58/09/98/573580998.db2.gz SSYKFVMMELQRAZ-AATLWQCWSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H](C[NH3+])CN(C)[C@@H]1CCN(C)C1 258803312 573581030 /nfs/dbraw/zinc/58/10/30/573581030.db2.gz RPPAMHWDVZIYKS-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[C@H](CNC[C@@H](C)C[NH2+]C)OC 308403376 573581190 /nfs/dbraw/zinc/58/11/90/573581190.db2.gz KBJBHRCLDQJATP-VHSXEESVSA-N 1 3 188.315 0.857 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)[C@H]1CCN(C)C1 258803317 573581290 /nfs/dbraw/zinc/58/12/90/573581290.db2.gz RPPAMHWDVZIYKS-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]CCCc1nnc[nH]1 308639685 573581346 /nfs/dbraw/zinc/58/13/46/573581346.db2.gz CNBNKWUBAFYYFD-YUMQZZPRSA-N 1 3 197.286 0.063 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]CCCc1nc[nH]n1 308639685 573581349 /nfs/dbraw/zinc/58/13/49/573581349.db2.gz CNBNKWUBAFYYFD-YUMQZZPRSA-N 1 3 197.286 0.063 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1cc[nH]c1 258799879 573581359 /nfs/dbraw/zinc/58/13/59/573581359.db2.gz RDEGPWIZYCYBIZ-SECBINFHSA-N 1 3 181.283 0.742 10 0 ACAEHO COCCNCC(C)(C)C(C)(C)[NH3+] 83645780 573581613 /nfs/dbraw/zinc/58/16/13/573581613.db2.gz PALIPNFIHSMJLG-UHFFFAOYSA-N 1 3 188.315 0.986 10 0 ACAEHO C[C@@H]1[C@@H]2COCC[C@@H]2NCC[N@@H+]1C 238441070 573581968 /nfs/dbraw/zinc/58/19/68/573581968.db2.gz OFQJGIVFQNKVER-UTLUCORTSA-N 1 3 184.283 0.315 10 0 ACAEHO C[C@@H]1[C@@H]2COCC[C@@H]2NCC[N@H+]1C 238441070 573581972 /nfs/dbraw/zinc/58/19/72/573581972.db2.gz OFQJGIVFQNKVER-UTLUCORTSA-N 1 3 184.283 0.315 10 0 ACAEHO C[NH+]1CCC(C[C@@H]2COCCN2)CC1 259114371 573582324 /nfs/dbraw/zinc/58/23/24/573582324.db2.gz LCHPITUUXIFQGR-LLVKDONJSA-N 1 3 198.310 0.707 10 0 ACAEHO OCCCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 308639667 573582457 /nfs/dbraw/zinc/58/24/57/573582457.db2.gz CMCVEMNYVPTNGM-MNOVXSKESA-N 1 3 198.310 0.300 10 0 ACAEHO CC[C@@H](CNC[C@@H](C)C[NH2+]C)OC 308403375 573582474 /nfs/dbraw/zinc/58/24/74/573582474.db2.gz KBJBHRCLDQJATP-UWVGGRQHSA-N 1 3 188.315 0.857 10 0 ACAEHO CC[C@@H]([NH3+])C(C)(C)NC 259115226 573582589 /nfs/dbraw/zinc/58/25/89/573582589.db2.gz BPXAKBZIEJENKT-ZCFIWIBFSA-N 1 3 130.235 0.722 10 0 ACAEHO CC[C@H](CN)[C@H](C)[NH3+] 259516637 573582590 /nfs/dbraw/zinc/58/25/90/573582590.db2.gz RXGMHHCBFXJQDV-NTSWFWBYSA-N 1 3 116.208 0.319 10 0 ACAEHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 258808111 573582842 /nfs/dbraw/zinc/58/28/42/573582842.db2.gz CLHREEXRWRYNNF-UWVGGRQHSA-N 1 3 179.267 0.984 10 0 ACAEHO C[C@H](CN)C[NH2+]CC1CCC1 258805243 573582915 /nfs/dbraw/zinc/58/29/15/573582915.db2.gz RWQJNOKXENEKDN-MRVPVSSYSA-N 1 3 156.273 0.971 10 0 ACAEHO C[C@@H]1CO[C@@](C)([C@H]2CCN(C)C2)[NH2+]1 258799229 573582951 /nfs/dbraw/zinc/58/29/51/573582951.db2.gz XZUMQWDCJUDSFA-UTLUCORTSA-N 1 3 184.283 0.663 10 0 ACAEHO CN1CC[C@@H](NCCC(C)(C)[NH3+])C1 258796594 573583111 /nfs/dbraw/zinc/58/31/11/573583111.db2.gz QTJOJXGOEKTPGX-SECBINFHSA-N 1 3 185.315 0.408 10 0 ACAEHO OCCCCN1CC[C@H]2C[NH2+]C[C@H]2C1 308639668 573583135 /nfs/dbraw/zinc/58/31/35/573583135.db2.gz CMCVEMNYVPTNGM-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO CC[C@@H](CN)[C@@H](C)[NH3+] 259516641 573583561 /nfs/dbraw/zinc/58/35/61/573583561.db2.gz RXGMHHCBFXJQDV-RITPCOANSA-N 1 3 116.208 0.319 10 0 ACAEHO C[C@H]([NH2+]CCCc1nnc[nH]1)[C@@H](C)N 308639684 573584472 /nfs/dbraw/zinc/58/44/72/573584472.db2.gz CNBNKWUBAFYYFD-SFYZADRCSA-N 1 3 197.286 0.063 10 0 ACAEHO C[C@H]([NH2+]CCCc1nc[nH]n1)[C@@H](C)N 308639684 573584479 /nfs/dbraw/zinc/58/44/79/573584479.db2.gz CNBNKWUBAFYYFD-SFYZADRCSA-N 1 3 197.286 0.063 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 258808116 573584517 /nfs/dbraw/zinc/58/45/17/573584517.db2.gz CLHREEXRWRYNNF-ZJUUUORDSA-N 1 3 179.267 0.984 10 0 ACAEHO C[C@H](CCC[NH3+])NCc1cccnn1 308638313 573584525 /nfs/dbraw/zinc/58/45/25/573584525.db2.gz BXOIMJRMOIBQFM-SECBINFHSA-N 1 3 194.282 0.694 10 0 ACAEHO CC[C@H](CN)[C@@H](C)[NH3+] 259516639 573585450 /nfs/dbraw/zinc/58/54/50/573585450.db2.gz RXGMHHCBFXJQDV-PHDIDXHHSA-N 1 3 116.208 0.319 10 0 ACAEHO N[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 258808113 573584734 /nfs/dbraw/zinc/58/47/34/573584734.db2.gz CLHREEXRWRYNNF-VHSXEESVSA-N 1 3 179.267 0.984 10 0 ACAEHO CCN1CCC([C@@H](O)C[NH3+])CC1 107406838 573584759 /nfs/dbraw/zinc/58/47/59/573584759.db2.gz NDPPJZHPCOPTIN-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CCN1CCC([C@H](O)C[NH3+])CC1 107406835 573585001 /nfs/dbraw/zinc/58/50/01/573585001.db2.gz NDPPJZHPCOPTIN-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO [NH3+][C@H](C[C@@H]1CNCCO1)C1CCCC1 259518051 573585357 /nfs/dbraw/zinc/58/53/57/573585357.db2.gz SACMZOMKXFSOAT-GHMZBOCLSA-N 1 3 198.310 0.882 10 0 ACAEHO OCCCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 308639669 573586526 /nfs/dbraw/zinc/58/65/26/573586526.db2.gz CMCVEMNYVPTNGM-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO CN[C@@H](CC[NH3+])c1ccc[nH]1 259516718 573586726 /nfs/dbraw/zinc/58/67/26/573586726.db2.gz RXVDBYXJIYLGBW-ZETCQYMHSA-N 1 3 153.229 0.624 10 0 ACAEHO C[C@@H]1[C@@H](N)[C@@H](CN)C[N@@H+]1C(C)(C)C 238442504 573586666 /nfs/dbraw/zinc/58/66/66/573586666.db2.gz DQANXHIRDMHOQQ-HRDYMLBCSA-N 1 3 185.315 0.391 10 0 ACAEHO C[C@@H]1[C@@H](N)[C@@H](CN)C[N@H+]1C(C)(C)C 238442504 573586669 /nfs/dbraw/zinc/58/66/69/573586669.db2.gz DQANXHIRDMHOQQ-HRDYMLBCSA-N 1 3 185.315 0.391 10 0 ACAEHO CCC(CC)(C[NH3+])N(C)C[C@H](C)O 83676689 573586748 /nfs/dbraw/zinc/58/67/48/573586748.db2.gz SRDDJVGCEHLIGW-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 258808108 573586904 /nfs/dbraw/zinc/58/69/04/573586904.db2.gz CLHREEXRWRYNNF-NXEZZACHSA-N 1 3 179.267 0.984 10 0 ACAEHO CC[NH2+]C[C@H](NC)C1CCOCC1 259518436 573589923 /nfs/dbraw/zinc/58/99/23/573589923.db2.gz TZAKQKIFQVOVNV-JTQLQIEISA-N 1 3 186.299 0.611 10 0 ACAEHO CC[C@@H](C[NH2+]C)C(=O)[C@H]1CCN(C)C1 259117108 573588195 /nfs/dbraw/zinc/58/81/95/573588195.db2.gz LIFLIRRRSYRJBL-UWVGGRQHSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CO[C@](C)([C@@H]2CCN(C)C2)[NH2+]1 258799228 573588421 /nfs/dbraw/zinc/58/84/21/573588421.db2.gz XZUMQWDCJUDSFA-OPRDCNLKSA-N 1 3 184.283 0.663 10 0 ACAEHO CN[C@H](CC[NH3+])c1ccc[nH]1 259516716 573588454 /nfs/dbraw/zinc/58/84/54/573588454.db2.gz RXVDBYXJIYLGBW-SSDOTTSWSA-N 1 3 153.229 0.624 10 0 ACAEHO CC[C@H](C[NH2+]C)C(=O)[C@H]1CCN(C)C1 259117113 573588506 /nfs/dbraw/zinc/58/85/06/573588506.db2.gz LIFLIRRRSYRJBL-ZJUUUORDSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]1CC[C@H](N)[C@@H](C)[N@@H+]1C 238443606 573588561 /nfs/dbraw/zinc/58/85/61/573588561.db2.gz ZVQIGWHBPACQQI-RNJXMRFFSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H]1C[C@@](C)(O)[C@@H](C[NH3+])CN1C 238443118 573589776 /nfs/dbraw/zinc/58/97/76/573589776.db2.gz JLXNQGGMWBUTOH-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@@](C)(O)[C@@H](CN)C[N@@H+]1C 238443118 573589784 /nfs/dbraw/zinc/58/97/84/573589784.db2.gz JLXNQGGMWBUTOH-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@@](C)(O)[C@@H](CN)C[N@H+]1C 238443118 573589786 /nfs/dbraw/zinc/58/97/86/573589786.db2.gz JLXNQGGMWBUTOH-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO CC[NH2+]C[C@@H](NC)C1CCOCC1 259518441 573589987 /nfs/dbraw/zinc/58/99/87/573589987.db2.gz TZAKQKIFQVOVNV-SNVBAGLBSA-N 1 3 186.299 0.611 10 0 ACAEHO CCC[C@@H]([NH3+])C[C@@H]1CN(C)CCN1 259117446 573590023 /nfs/dbraw/zinc/59/00/23/573590023.db2.gz AHZBMZDZKBSETL-NXEZZACHSA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@H]([NH2+][C@H](C)C1CC1)C1CNC1 686243441 573590041 /nfs/dbraw/zinc/59/00/41/573590041.db2.gz NTYAJWXBMNSTQW-SFYZADRCSA-N 1 3 168.284 0.982 10 0 ACAEHO NC[C@]1(O)CCC[N@@H+]2CCCC[C@H]21 107416979 573591002 /nfs/dbraw/zinc/59/10/02/573591002.db2.gz XCVUGMFHMYDVKV-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@]1(O)CCC[N@H+]2CCCC[C@H]21 107416979 573591006 /nfs/dbraw/zinc/59/10/06/573591006.db2.gz XCVUGMFHMYDVKV-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+]C[C@]1(O)CCCN2CCCC[C@H]21 107416979 573591013 /nfs/dbraw/zinc/59/10/13/573591013.db2.gz XCVUGMFHMYDVKV-VHSXEESVSA-N 1 3 184.283 0.325 10 0 ACAEHO CCO[C@@]1(CN)CC[N@H+](CC)C1 257833600 573591037 /nfs/dbraw/zinc/59/10/37/573591037.db2.gz KJDFFDFTPDPEPL-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CCO[C@@]1(CN)CC[N@@H+](CC)C1 257833600 573591043 /nfs/dbraw/zinc/59/10/43/573591043.db2.gz KJDFFDFTPDPEPL-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CCO[C@@]1(C[NH3+])CCN(CC)C1 257833600 573591048 /nfs/dbraw/zinc/59/10/48/573591048.db2.gz KJDFFDFTPDPEPL-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@H]2CC[N@H+](C)C2)OC1 258788535 573591480 /nfs/dbraw/zinc/59/14/80/573591480.db2.gz XKYIBXJEOMEIIU-MXWKQRLJSA-N 1 3 198.310 0.910 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@H]2CC[N@@H+](C)C2)OC1 258788535 573591486 /nfs/dbraw/zinc/59/14/86/573591486.db2.gz XKYIBXJEOMEIIU-MXWKQRLJSA-N 1 3 198.310 0.910 10 0 ACAEHO COCC[N@@H+]1C[C@H](N)CCC1(C)C 259520905 573591534 /nfs/dbraw/zinc/59/15/34/573591534.db2.gz VGKUKWBKHONXQS-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COCC[N@H+]1C[C@H](N)CCC1(C)C 259520905 573591541 /nfs/dbraw/zinc/59/15/41/573591541.db2.gz VGKUKWBKHONXQS-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CN(CN)CC[C@H]1CCC[N@H+](C)C1 258810859 573591715 /nfs/dbraw/zinc/59/17/15/573591715.db2.gz FJASUNDXOCBUEB-SNVBAGLBSA-N 1 3 185.315 0.566 10 0 ACAEHO CN(CN)CC[C@H]1CCC[N@@H+](C)C1 258810859 573591718 /nfs/dbraw/zinc/59/17/18/573591718.db2.gz FJASUNDXOCBUEB-SNVBAGLBSA-N 1 3 185.315 0.566 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@@H]2CC[N@H+](C)C2)OC1 258788538 573591813 /nfs/dbraw/zinc/59/18/13/573591813.db2.gz XKYIBXJEOMEIIU-VWYCJHECSA-N 1 3 198.310 0.910 10 0 ACAEHO C[C@@H]1CN[C@H](C[C@@H]2CC[N@@H+](C)C2)OC1 258788538 573591816 /nfs/dbraw/zinc/59/18/16/573591816.db2.gz XKYIBXJEOMEIIU-VWYCJHECSA-N 1 3 198.310 0.910 10 0 ACAEHO CC[C@H](C[C@H]1CNCCO1)[NH2+]C 259136561 573593812 /nfs/dbraw/zinc/59/38/12/573593812.db2.gz BVRYGDUVEBBLBZ-BDAKNGLRSA-N 1 3 172.272 0.363 10 0 ACAEHO C[C@H](N)C[C@@H]1CCC[NH2+]1 78724546 573593816 /nfs/dbraw/zinc/59/38/16/573593816.db2.gz TTWYCDFAIOAKQY-BQBZGAKWSA-N 1 3 128.219 0.476 10 0 ACAEHO CN[C@H](C)c1ccnn1C1C[NH2+]C1 257836240 573597795 /nfs/dbraw/zinc/59/77/95/573597795.db2.gz LAHWLKWPKDIPPR-SSDOTTSWSA-N 1 3 180.255 0.308 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)C1CNC1)C1CC1 686243443 573594746 /nfs/dbraw/zinc/59/47/46/573594746.db2.gz NTYAJWXBMNSTQW-YUMQZZPRSA-N 1 3 168.284 0.982 10 0 ACAEHO C1C[C@@H](N[C@H]2CCN(C3CC3)C2)C[NH2+]1 86729516 573594762 /nfs/dbraw/zinc/59/47/62/573594762.db2.gz QRWLRSLLXHZBEP-ZJUUUORDSA-N 1 3 195.310 0.175 10 0 ACAEHO CN(CN)CC[C@@H]1CCC[N@H+](C)C1 258810858 573594792 /nfs/dbraw/zinc/59/47/92/573594792.db2.gz FJASUNDXOCBUEB-JTQLQIEISA-N 1 3 185.315 0.566 10 0 ACAEHO CN(CN)CC[C@@H]1CCC[N@@H+](C)C1 258810858 573594798 /nfs/dbraw/zinc/59/47/98/573594798.db2.gz FJASUNDXOCBUEB-JTQLQIEISA-N 1 3 185.315 0.566 10 0 ACAEHO CN1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 86729501 573594926 /nfs/dbraw/zinc/59/49/26/573594926.db2.gz KSEYZROOWSEDNF-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])C2(CO)CC2)C1 259524587 573595692 /nfs/dbraw/zinc/59/56/92/573595692.db2.gz SKSYLVLNVYHOGB-RKDXNWHRSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@@H](N)C2(CO)CC2)C1 259524587 573595697 /nfs/dbraw/zinc/59/56/97/573595697.db2.gz SKSYLVLNVYHOGB-RKDXNWHRSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@@H](N)C2(CO)CC2)C1 259524587 573595701 /nfs/dbraw/zinc/59/57/01/573595701.db2.gz SKSYLVLNVYHOGB-RKDXNWHRSA-N 1 3 184.283 0.038 10 0 ACAEHO CC[C@H](CN)[C@@H](C)[NH+](C)C 259522650 573595840 /nfs/dbraw/zinc/59/58/40/573595840.db2.gz MUMALBZEYVYPRN-HTQZYQBOSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@H](C[NH3+])[C@@H](C)N(C)C 259522650 573595844 /nfs/dbraw/zinc/59/58/44/573595844.db2.gz MUMALBZEYVYPRN-HTQZYQBOSA-N 1 3 144.262 0.921 10 0 ACAEHO [NH3+]C1CCC(NCc2nc[nH]n2)CC1 86728867 573595854 /nfs/dbraw/zinc/59/58/54/573595854.db2.gz CGJPDBJLLAODEL-UHFFFAOYSA-N 1 3 195.270 0.164 10 0 ACAEHO [NH3+]C1CCC(NCc2nnc[nH]2)CC1 86728867 573595862 /nfs/dbraw/zinc/59/58/62/573595862.db2.gz CGJPDBJLLAODEL-UHFFFAOYSA-N 1 3 195.270 0.164 10 0 ACAEHO CC[C@@H](C[NH3+])[C@H](C)N(C)C 259522654 573595891 /nfs/dbraw/zinc/59/58/91/573595891.db2.gz MUMALBZEYVYPRN-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@@H](CN)[C@H](C)[NH+](C)C 259522654 573595886 /nfs/dbraw/zinc/59/58/86/573595886.db2.gz MUMALBZEYVYPRN-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@@H](N)C[C@@H]1CCC[NH2+]1 78724548 573595948 /nfs/dbraw/zinc/59/59/48/573595948.db2.gz TTWYCDFAIOAKQY-RQJHMYQMSA-N 1 3 128.219 0.476 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])C2(CO)CC2)C1 259524583 573596185 /nfs/dbraw/zinc/59/61/85/573596185.db2.gz SKSYLVLNVYHOGB-DTWKUNHWSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@@H](N)C2(CO)CC2)C1 259524583 573596188 /nfs/dbraw/zinc/59/61/88/573596188.db2.gz SKSYLVLNVYHOGB-DTWKUNHWSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@H+]1CC[C@H]([C@@H](N)C2(CO)CC2)C1 259524583 573596190 /nfs/dbraw/zinc/59/61/90/573596190.db2.gz SKSYLVLNVYHOGB-DTWKUNHWSA-N 1 3 184.283 0.038 10 0 ACAEHO C[C@H](N)C[C@H]1CCCC[NH2+]1 78724411 573596199 /nfs/dbraw/zinc/59/61/99/573596199.db2.gz BVFDJJDYLNAQTD-JGVFFNPUSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H]([NH3+])C[C@H]1CCCCN1 78724411 573596205 /nfs/dbraw/zinc/59/62/05/573596205.db2.gz BVFDJJDYLNAQTD-JGVFFNPUSA-N 1 3 142.246 0.866 10 0 ACAEHO CC[C@@H](COC)N[C@@H](C)C1C[NH2+]C1 686243458 573596587 /nfs/dbraw/zinc/59/65/87/573596587.db2.gz OBSPAFKDVDTPJR-WPRPVWTQSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@@H](COC)[NH2+][C@@H](C)C1CNC1 686243458 573596591 /nfs/dbraw/zinc/59/65/91/573596591.db2.gz OBSPAFKDVDTPJR-WPRPVWTQSA-N 1 3 186.299 0.609 10 0 ACAEHO CN1CC[C@H]([C@H]([NH3+])C2(CO)CC2)C1 259524585 573596596 /nfs/dbraw/zinc/59/65/96/573596596.db2.gz SKSYLVLNVYHOGB-IUCAKERBSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@H](N)C2(CO)CC2)C1 259524585 573596601 /nfs/dbraw/zinc/59/66/01/573596601.db2.gz SKSYLVLNVYHOGB-IUCAKERBSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@H+]1CC[C@H]([C@H](N)C2(CO)CC2)C1 259524585 573596604 /nfs/dbraw/zinc/59/66/04/573596604.db2.gz SKSYLVLNVYHOGB-IUCAKERBSA-N 1 3 184.283 0.038 10 0 ACAEHO CC[C@H](COC)N[C@@H](C)C1C[NH2+]C1 686243457 573596746 /nfs/dbraw/zinc/59/67/46/573596746.db2.gz OBSPAFKDVDTPJR-WCBMZHEXSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@H](COC)[NH2+][C@@H](C)C1CNC1 686243457 573596752 /nfs/dbraw/zinc/59/67/52/573596752.db2.gz OBSPAFKDVDTPJR-WCBMZHEXSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@H](CN)[C@H](C)[NH+](C)C 259522651 573596778 /nfs/dbraw/zinc/59/67/78/573596778.db2.gz MUMALBZEYVYPRN-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@H](C[NH3+])[C@H](C)N(C)C 259522651 573596782 /nfs/dbraw/zinc/59/67/82/573596782.db2.gz MUMALBZEYVYPRN-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO [NH3+]C1(CNc2ccncc2)CC1 259138852 573597577 /nfs/dbraw/zinc/59/75/77/573597577.db2.gz RGJIMFASCGMVMB-UHFFFAOYSA-N 1 3 163.224 0.985 10 0 ACAEHO CC[C@H](C[NH3+])C(=O)[C@H]1CCN(C)C1 259137878 573597762 /nfs/dbraw/zinc/59/77/62/573597762.db2.gz NARRZFZVNQTITI-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC[C@@H](COC)N[C@H](C)C1C[NH2+]C1 686243456 573597599 /nfs/dbraw/zinc/59/75/99/573597599.db2.gz OBSPAFKDVDTPJR-SCZZXKLOSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@@H](COC)[NH2+][C@H](C)C1CNC1 686243456 573597605 /nfs/dbraw/zinc/59/76/05/573597605.db2.gz OBSPAFKDVDTPJR-SCZZXKLOSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@@H](C[NH3+])C(=O)[C@H]1CCN(C)C1 259137881 573599011 /nfs/dbraw/zinc/59/90/11/573599011.db2.gz NARRZFZVNQTITI-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO CN[C@@H](C)C(C)(C)[NH3+] 259139376 573600235 /nfs/dbraw/zinc/60/02/35/573600235.db2.gz BCEIDMOIGXJROC-YFKPBYRVSA-N 1 3 116.208 0.332 10 0 ACAEHO Cc1noc([C@@H]2CC[NH2+]C2)c1CN 257835748 573600382 /nfs/dbraw/zinc/60/03/82/573600382.db2.gz KYNPNZONXPINHL-SSDOTTSWSA-N 1 3 181.239 0.519 10 0 ACAEHO CN[C@H](C)C(C)(C)[NH3+] 259139375 573601107 /nfs/dbraw/zinc/60/11/07/573601107.db2.gz BCEIDMOIGXJROC-RXMQYKEDSA-N 1 3 116.208 0.332 10 0 ACAEHO C[C@@]1(O)CCN(C[C@H]2CC[NH2+]C2)C1 259527796 573601190 /nfs/dbraw/zinc/60/11/90/573601190.db2.gz AWGCXWYYADVGNN-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@@H](N)C[N@H+](C)CCc1cc[nH]c1 258817908 573603277 /nfs/dbraw/zinc/60/32/77/573603277.db2.gz TXYQLXMSGNSYQS-SECBINFHSA-N 1 3 181.283 0.836 10 0 ACAEHO C[C@@H](N)C[N@@H+](C)CCc1cc[nH]c1 258817908 573603286 /nfs/dbraw/zinc/60/32/86/573603286.db2.gz TXYQLXMSGNSYQS-SECBINFHSA-N 1 3 181.283 0.836 10 0 ACAEHO C[C@@]1(O)CCN(C[C@@H]2CC[NH2+]C2)C1 259527785 573603287 /nfs/dbraw/zinc/60/32/87/573603287.db2.gz AWGCXWYYADVGNN-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO CC(C)[C@H]([NH3+])C1(CN)CC1 259527625 573603317 /nfs/dbraw/zinc/60/33/17/573603317.db2.gz SPZWPCOTZKGYDY-ZETCQYMHSA-N 1 3 142.246 0.709 10 0 ACAEHO CC(C)O[C@]1(C[NH3+])CCCNC1 259525657 573603611 /nfs/dbraw/zinc/60/36/11/573603611.db2.gz ASUGGBLEMKKNLH-VIFPVBQESA-N 1 3 172.272 0.492 10 0 ACAEHO CN[C@@H](N1CC[NH2+]CC1)C(C)(C)C 259124983 573603921 /nfs/dbraw/zinc/60/39/21/573603921.db2.gz BJRSOVTUQWKJNP-VIFPVBQESA-N 1 3 185.315 0.483 10 0 ACAEHO C[C@H]1CCCN[C@@H]1N1CC[NH2+]CC1 238446324 573604112 /nfs/dbraw/zinc/60/41/12/573604112.db2.gz GNKHMLSPZGWAQB-VHSXEESVSA-N 1 3 183.299 0.237 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@H]2CNCCO2)C1 259140249 573604156 /nfs/dbraw/zinc/60/41/56/573604156.db2.gz NDCRDIWFHBWCKO-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@H]2CNCCO2)C1 259140249 573604164 /nfs/dbraw/zinc/60/41/64/573604164.db2.gz NDCRDIWFHBWCKO-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO CC(C)[C@@H]([NH3+])C1(CN)CC1 259527621 573604218 /nfs/dbraw/zinc/60/42/18/573604218.db2.gz SPZWPCOTZKGYDY-SSDOTTSWSA-N 1 3 142.246 0.709 10 0 ACAEHO [NH3+][C@]12CC[C@H](CNC1)C2 96299047 573604281 /nfs/dbraw/zinc/60/42/81/573604281.db2.gz SVVHTGGTQMORHI-BQBZGAKWSA-N 1 3 126.203 0.087 10 0 ACAEHO CCN(CC[NH2+]CC(C)(C)N)C1CC1 308647201 573604379 /nfs/dbraw/zinc/60/43/79/573604379.db2.gz HXSNSQXQOOBWTG-UHFFFAOYSA-N 1 3 199.342 0.798 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@H]2CNCCO2)C1 259140244 573604420 /nfs/dbraw/zinc/60/44/20/573604420.db2.gz NDCRDIWFHBWCKO-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@H]2CNCCO2)C1 259140244 573604423 /nfs/dbraw/zinc/60/44/23/573604423.db2.gz NDCRDIWFHBWCKO-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H]1CCCN[C@H]1N1CC[NH2+]CC1 238446566 573604674 /nfs/dbraw/zinc/60/46/74/573604674.db2.gz GNKHMLSPZGWAQB-UWVGGRQHSA-N 1 3 183.299 0.237 10 0 ACAEHO COCC[NH2+]CCNc1ccncc1 215502930 573604684 /nfs/dbraw/zinc/60/46/84/573604684.db2.gz FMVPEESCBWBCFN-UHFFFAOYSA-N 1 3 195.266 0.730 10 0 ACAEHO NC[C@]1(O)CCC[N@@H+](C2CCC2)C1 259525526 573604957 /nfs/dbraw/zinc/60/49/57/573604957.db2.gz ARPJHSHGXUZJEY-SNVBAGLBSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@]1(O)CCC[N@H+](C2CCC2)C1 259525526 573604963 /nfs/dbraw/zinc/60/49/63/573604963.db2.gz ARPJHSHGXUZJEY-SNVBAGLBSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+]C[C@]1(O)CCCN(C2CCC2)C1 259525526 573604968 /nfs/dbraw/zinc/60/49/68/573604968.db2.gz ARPJHSHGXUZJEY-SNVBAGLBSA-N 1 3 184.283 0.325 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@@H]2CNCCO2)C1 259140241 573605315 /nfs/dbraw/zinc/60/53/15/573605315.db2.gz NDCRDIWFHBWCKO-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@@H]2CNCCO2)C1 259140241 573605319 /nfs/dbraw/zinc/60/53/19/573605319.db2.gz NDCRDIWFHBWCKO-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO NCC1(C[NH2+]CCc2cc[nH]c2)CC1 258818435 573605411 /nfs/dbraw/zinc/60/54/11/573605411.db2.gz CDJZSIDFTYVESB-UHFFFAOYSA-N 1 3 193.294 0.886 10 0 ACAEHO [NH3+]CC1(CNCCc2cc[nH]c2)CC1 258818435 573605418 /nfs/dbraw/zinc/60/54/18/573605418.db2.gz CDJZSIDFTYVESB-UHFFFAOYSA-N 1 3 193.294 0.886 10 0 ACAEHO C[C@@H]1C[C@@H]1NC[C@@H]1C[NH2+]CC12CC2 715987744 573605654 /nfs/dbraw/zinc/60/56/54/573605654.db2.gz WWWPBMAZHLCNML-UTLUCORTSA-N 1 3 180.295 0.984 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@@H]2CNCCO2)C1 259140246 573606313 /nfs/dbraw/zinc/60/63/13/573606313.db2.gz NDCRDIWFHBWCKO-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@@H]2CNCCO2)C1 259140246 573606317 /nfs/dbraw/zinc/60/63/17/573606317.db2.gz NDCRDIWFHBWCKO-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H](N)C[N@H+](C)CCc1cc[nH]c1 258817911 573606162 /nfs/dbraw/zinc/60/61/62/573606162.db2.gz TXYQLXMSGNSYQS-VIFPVBQESA-N 1 3 181.283 0.836 10 0 ACAEHO C[C@H](N)C[N@@H+](C)CCc1cc[nH]c1 258817911 573606169 /nfs/dbraw/zinc/60/61/69/573606169.db2.gz TXYQLXMSGNSYQS-VIFPVBQESA-N 1 3 181.283 0.836 10 0 ACAEHO Cn1ccnc1NCCC[NH+](C)C 50605733 573609060 /nfs/dbraw/zinc/60/90/60/573609060.db2.gz VMHUUKHHADSDEV-UHFFFAOYSA-N 1 3 182.271 0.784 10 0 ACAEHO Cc1ccc(C(CN)C[NH3+])o1 258070094 573608208 /nfs/dbraw/zinc/60/82/08/573608208.db2.gz IPBXTKFPJQQYJD-UHFFFAOYSA-N 1 3 154.213 0.589 10 0 ACAEHO C1CNCC[NH2+]CCSC1 142785536 573608244 /nfs/dbraw/zinc/60/82/44/573608244.db2.gz OMWKTABUXTXYKJ-UHFFFAOYSA-N 1 3 160.286 0.303 10 0 ACAEHO C[NH2+]CCc1ccc(OC)c(CN)c1 257837353 573608247 /nfs/dbraw/zinc/60/82/47/573608247.db2.gz LAKRHZCWEACHTC-UHFFFAOYSA-N 1 3 194.278 0.916 10 0 ACAEHO c1c[nH]c(CCNC[C@@H]2CC[NH2+]C2)c1 258820778 573608562 /nfs/dbraw/zinc/60/85/62/573608562.db2.gz FHXQMURYWDXOTE-SNVBAGLBSA-N 1 3 193.294 0.756 10 0 ACAEHO OC[C@]1([C@@H]2CCCNC2)CCC[NH2+]1 258068317 573608569 /nfs/dbraw/zinc/60/85/69/573608569.db2.gz JBFCUVQRGZHZAY-ZJUUUORDSA-N 1 3 184.283 0.101 10 0 ACAEHO c1c[nH]c(CCNC[C@H]2CC[NH2+]C2)c1 258820777 573609140 /nfs/dbraw/zinc/60/91/40/573609140.db2.gz FHXQMURYWDXOTE-JTQLQIEISA-N 1 3 193.294 0.756 10 0 ACAEHO CC(=O)CC(C)(C)NCC[NH3+] 75543881 573609142 /nfs/dbraw/zinc/60/91/42/573609142.db2.gz HZJOEXUSGRAAQQ-UHFFFAOYSA-N 1 3 158.245 0.292 10 0 ACAEHO C1CC(C[NH2+]CC[C@@H]2CNCCO2)C1 258822884 573609626 /nfs/dbraw/zinc/60/96/26/573609626.db2.gz CKINRRCJGUIBEA-LLVKDONJSA-N 1 3 198.310 0.755 10 0 ACAEHO CCN1CCC=C([C@@H](C)[NH3+])C1 258068338 573610724 /nfs/dbraw/zinc/61/07/24/573610724.db2.gz MCFMMEMIPAREKO-MRVPVSSYSA-N 1 3 154.257 0.986 10 0 ACAEHO CC[N@@H+]1CCC=C([C@@H](C)N)C1 258068338 573610727 /nfs/dbraw/zinc/61/07/27/573610727.db2.gz MCFMMEMIPAREKO-MRVPVSSYSA-N 1 3 154.257 0.986 10 0 ACAEHO CC[N@H+]1CCC=C([C@@H](C)N)C1 258068338 573610733 /nfs/dbraw/zinc/61/07/33/573610733.db2.gz MCFMMEMIPAREKO-MRVPVSSYSA-N 1 3 154.257 0.986 10 0 ACAEHO NC[C@@H](O)[C@@H]([NH3+])C1CCCCC1 259529257 573610799 /nfs/dbraw/zinc/61/07/99/573610799.db2.gz SRIZICHULOPJDJ-BDAKNGLRSA-N 1 3 172.272 0.214 10 0 ACAEHO N[C@@H](C1CCCCC1)[C@H](O)C[NH3+] 259529257 573610809 /nfs/dbraw/zinc/61/08/09/573610809.db2.gz SRIZICHULOPJDJ-BDAKNGLRSA-N 1 3 172.272 0.214 10 0 ACAEHO OC[C@]1([C@H]2CCCNC2)CCC[NH2+]1 258068303 573610844 /nfs/dbraw/zinc/61/08/44/573610844.db2.gz JBFCUVQRGZHZAY-UWVGGRQHSA-N 1 3 184.283 0.101 10 0 ACAEHO COCNCCC1CC[NH+](C)CC1 259126100 573610957 /nfs/dbraw/zinc/61/09/57/573610957.db2.gz QHBKICIRBYUMMC-UHFFFAOYSA-N 1 3 186.299 0.912 10 0 ACAEHO CCN1CCC=C([C@H](C)[NH3+])C1 258068344 573612025 /nfs/dbraw/zinc/61/20/25/573612025.db2.gz MCFMMEMIPAREKO-QMMMGPOBSA-N 1 3 154.257 0.986 10 0 ACAEHO CC[N@@H+]1CCC=C([C@H](C)N)C1 258068344 573612029 /nfs/dbraw/zinc/61/20/29/573612029.db2.gz MCFMMEMIPAREKO-QMMMGPOBSA-N 1 3 154.257 0.986 10 0 ACAEHO C1CC(C[NH2+]CC[C@H]2CNCCO2)C1 258822888 573612030 /nfs/dbraw/zinc/61/20/30/573612030.db2.gz CKINRRCJGUIBEA-NSHDSACASA-N 1 3 198.310 0.755 10 0 ACAEHO CC[N@H+]1CCC=C([C@H](C)N)C1 258068344 573612034 /nfs/dbraw/zinc/61/20/34/573612034.db2.gz MCFMMEMIPAREKO-QMMMGPOBSA-N 1 3 154.257 0.986 10 0 ACAEHO CNC1([C@@H]2CCC[NH2+]C2)CC1 211944397 573612068 /nfs/dbraw/zinc/61/20/68/573612068.db2.gz NFJCQMJRPXJLMX-MRVPVSSYSA-N 1 3 154.257 0.738 10 0 ACAEHO C[NH2+]C1([C@@H]2CCCNC2)CC1 211944397 573612072 /nfs/dbraw/zinc/61/20/72/573612072.db2.gz NFJCQMJRPXJLMX-MRVPVSSYSA-N 1 3 154.257 0.738 10 0 ACAEHO Cn1ccnc1NC1[C@@H]2C[NH2+]C[C@H]12 50606779 573612457 /nfs/dbraw/zinc/61/24/57/573612457.db2.gz FHYSMSQIAVGWBN-DHBOJHSNSA-N 1 3 178.239 0.050 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H]1CC12CN(C)C2 211947657 573612511 /nfs/dbraw/zinc/61/25/11/573612511.db2.gz KPVHFRRQNFVFBP-YUMQZZPRSA-N 1 3 154.257 0.533 10 0 ACAEHO OC[C@@]1([C@H]2CCCNC2)CCC[NH2+]1 258068310 573612517 /nfs/dbraw/zinc/61/25/17/573612517.db2.gz JBFCUVQRGZHZAY-VHSXEESVSA-N 1 3 184.283 0.101 10 0 ACAEHO CC[NH2+]CCCNc1nccn1C 50606822 573612755 /nfs/dbraw/zinc/61/27/55/573612755.db2.gz ZWZGWFGBSKEKPT-UHFFFAOYSA-N 1 3 182.271 0.832 10 0 ACAEHO OC[C@@]1([C@@H]2CCCNC2)CCC[NH2+]1 258068294 573612798 /nfs/dbraw/zinc/61/27/98/573612798.db2.gz JBFCUVQRGZHZAY-NXEZZACHSA-N 1 3 184.283 0.101 10 0 ACAEHO O=C(CN1CCCCCC1)C1C[NH2+]C1 259126140 573612836 /nfs/dbraw/zinc/61/28/36/573612836.db2.gz FWUMWLHFEUFDPV-UHFFFAOYSA-N 1 3 196.294 0.651 10 0 ACAEHO C[C@@H]1C[N@@H+](C)C[C@H](CN)[C@@H]1C 107455735 573613877 /nfs/dbraw/zinc/61/38/77/573613877.db2.gz NGERUKYABCSOSO-HLTSFMKQSA-N 1 3 156.273 0.779 10 0 ACAEHO C[C@@H]1CN(C)C[C@H](C[NH3+])[C@@H]1C 107455735 573613881 /nfs/dbraw/zinc/61/38/81/573613881.db2.gz NGERUKYABCSOSO-HLTSFMKQSA-N 1 3 156.273 0.779 10 0 ACAEHO C[C@@H]1C[N@H+](C)C[C@H](CN)[C@@H]1C 107455735 573613873 /nfs/dbraw/zinc/61/38/73/573613873.db2.gz NGERUKYABCSOSO-HLTSFMKQSA-N 1 3 156.273 0.779 10 0 ACAEHO C[N@@H+]1C[C@H](CN)[C@H]2CCC[C@@H]21 107455476 573615391 /nfs/dbraw/zinc/61/53/91/573615391.db2.gz UJUFRCNHRAESRI-YIZRAAEISA-N 1 3 154.257 0.675 10 0 ACAEHO C[N@H+]1C[C@H](CN)[C@H]2CCC[C@@H]21 107455476 573615394 /nfs/dbraw/zinc/61/53/94/573615394.db2.gz UJUFRCNHRAESRI-YIZRAAEISA-N 1 3 154.257 0.675 10 0 ACAEHO CN1C[C@H]([NH3+])[C@H]2CCCC[C@@H]21 107455483 573615447 /nfs/dbraw/zinc/61/54/47/573615447.db2.gz ZOTZECQVZMTURC-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1CNC[C@H]2CCC[N@@H+]2C1 211949877 573616477 /nfs/dbraw/zinc/61/64/77/573616477.db2.gz ZXBZTSJPBUGJLZ-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1CNC[C@H]2CCC[N@H+]2C1 211949877 573616486 /nfs/dbraw/zinc/61/64/86/573616486.db2.gz ZXBZTSJPBUGJLZ-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CCN[C@]1(C[NH3+])C[C@@H](OC)C12CCC2 308407576 573617816 /nfs/dbraw/zinc/61/78/16/573617816.db2.gz DIEFYQKMEOYUEQ-KOLCDFICSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+](C)[C@@H]1C 107455745 573617925 /nfs/dbraw/zinc/61/79/25/573617925.db2.gz FDQMSQVHPRZOES-HLTSFMKQSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+](C)[C@@H]1C 107455745 573617933 /nfs/dbraw/zinc/61/79/33/573617933.db2.gz FDQMSQVHPRZOES-HLTSFMKQSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](C[NH3+])CN(C)[C@@H]1C 107455745 573617941 /nfs/dbraw/zinc/61/79/41/573617941.db2.gz FDQMSQVHPRZOES-HLTSFMKQSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@]12C[N@@H+](CCN)C[C@]1(C)C2 238451385 573617946 /nfs/dbraw/zinc/61/79/46/573617946.db2.gz AKUMMRMMFJLXSU-DTORHVGOSA-N 1 3 154.257 0.677 10 0 ACAEHO C[C@@]12C[N@H+](CCN)C[C@]1(C)C2 238451385 573617952 /nfs/dbraw/zinc/61/79/52/573617952.db2.gz AKUMMRMMFJLXSU-DTORHVGOSA-N 1 3 154.257 0.677 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN(C2CC2)C1 211950111 573618064 /nfs/dbraw/zinc/61/80/64/573618064.db2.gz YNZVKRUGIVGQIG-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)[C@@H]([NH3+])[C@@H]1CCN(C)C1 82406156 573620398 /nfs/dbraw/zinc/62/03/98/573620398.db2.gz NCEREWMRNRGUFF-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H](CCN)[NH2+]CCCn1ccnc1 308643047 573618566 /nfs/dbraw/zinc/61/85/66/573618566.db2.gz FAZUGHKCCUWBBU-SNVBAGLBSA-N 1 3 196.298 0.600 10 0 ACAEHO CC1(C)C[C@@H](N)[C@H](N)C(C)(C)[NH2+]1 75561690 573618620 /nfs/dbraw/zinc/61/86/20/573618620.db2.gz OXZWRZACXSXEBV-RQJHMYQMSA-N 1 3 171.288 0.192 10 0 ACAEHO CC1(C)C[C@@H]([NH3+])[C@H](N)C(C)(C)N1 75561690 573618625 /nfs/dbraw/zinc/61/86/25/573618625.db2.gz OXZWRZACXSXEBV-RQJHMYQMSA-N 1 3 171.288 0.192 10 0 ACAEHO CCN[C@@]1(C[NH3+])C[C@@H](OC)C12CCC2 308407577 573618986 /nfs/dbraw/zinc/61/89/86/573618986.db2.gz DIEFYQKMEOYUEQ-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO NCc1cc([C@H]2CCC[NH2+]2)[nH]n1 259131522 573619833 /nfs/dbraw/zinc/61/98/33/573619833.db2.gz GTSVQGOIIIVVDI-SSDOTTSWSA-N 1 3 166.228 0.293 10 0 ACAEHO C[C@H]1CNC[C@@H]2CCC[N@@H+]2C1 211949744 573619842 /nfs/dbraw/zinc/61/98/42/573619842.db2.gz ZXBZTSJPBUGJLZ-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1CNC[C@@H]2CCC[N@H+]2C1 211949744 573619847 /nfs/dbraw/zinc/61/98/47/573619847.db2.gz ZXBZTSJPBUGJLZ-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CC1(C)C[C@H](N)[C@H](N)C(C)(C)[NH2+]1 75561687 573619885 /nfs/dbraw/zinc/61/98/85/573619885.db2.gz OXZWRZACXSXEBV-BQBZGAKWSA-N 1 3 171.288 0.192 10 0 ACAEHO CC1(C)C[C@H]([NH3+])[C@H](N)C(C)(C)N1 75561687 573619890 /nfs/dbraw/zinc/61/98/90/573619890.db2.gz OXZWRZACXSXEBV-BQBZGAKWSA-N 1 3 171.288 0.192 10 0 ACAEHO CC1(C)C[C@@H](N)[C@@H](N)C(C)(C)[NH2+]1 75561700 573619916 /nfs/dbraw/zinc/61/99/16/573619916.db2.gz OXZWRZACXSXEBV-RNFRBKRXSA-N 1 3 171.288 0.192 10 0 ACAEHO CC1(C)C[C@@H]([NH3+])[C@@H](N)C(C)(C)N1 75561700 573619921 /nfs/dbraw/zinc/61/99/21/573619921.db2.gz OXZWRZACXSXEBV-RNFRBKRXSA-N 1 3 171.288 0.192 10 0 ACAEHO CCN[C@]1(C[NH3+])C[C@H](OC)C12CCC2 308407579 573620069 /nfs/dbraw/zinc/62/00/69/573620069.db2.gz DIEFYQKMEOYUEQ-ONGXEEELSA-N 1 3 198.310 0.882 10 0 ACAEHO CCN[C@@]1(C[NH3+])C[C@H](OC)C12CCC2 308407575 573620351 /nfs/dbraw/zinc/62/03/51/573620351.db2.gz DIEFYQKMEOYUEQ-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH2+][C@@H](CC(C)=O)C1CCN(C)CC1 259533222 573620501 /nfs/dbraw/zinc/62/05/01/573620501.db2.gz UTSMYPIPFLADPV-NSHDSACASA-N 1 3 198.310 0.895 10 0 ACAEHO C[C@@H]1[NH2+]C[C@@H](CN(C)C)C[C@H]1CO 107461539 573620669 /nfs/dbraw/zinc/62/06/69/573620669.db2.gz IEADBOFIBCLOQS-GUBZILKMSA-N 1 3 186.299 0.155 10 0 ACAEHO C[C@@H]1NC[C@@H](C[NH+](C)C)C[C@H]1CO 107461539 573620672 /nfs/dbraw/zinc/62/06/72/573620672.db2.gz IEADBOFIBCLOQS-GUBZILKMSA-N 1 3 186.299 0.155 10 0 ACAEHO C[C@H](CCCC[NH3+])NCc1nc[nH]n1 308643668 573621395 /nfs/dbraw/zinc/62/13/95/573621395.db2.gz FSJCYAWEBAJLPQ-MRVPVSSYSA-N 1 3 197.286 0.412 10 0 ACAEHO C[C@H](CCCC[NH3+])NCc1nnc[nH]1 308643668 573621397 /nfs/dbraw/zinc/62/13/97/573621397.db2.gz FSJCYAWEBAJLPQ-MRVPVSSYSA-N 1 3 197.286 0.412 10 0 ACAEHO C[C@@H]1NC[C@@H](C[NH+](C)C)C[C@@H]1CO 107461542 573624127 /nfs/dbraw/zinc/62/41/27/573624127.db2.gz IEADBOFIBCLOQS-LPEHRKFASA-N 1 3 186.299 0.155 10 0 ACAEHO CC(C)[C@@H]([NH3+])[C@H]1CCN(C)C1 82406158 573623388 /nfs/dbraw/zinc/62/33/88/573623388.db2.gz NCEREWMRNRGUFF-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO C1CCC(CNCN2CC[NH2+]CC2)C1 258823380 573623684 /nfs/dbraw/zinc/62/36/84/573623684.db2.gz ALXUTAIMHSWHRR-UHFFFAOYSA-N 1 3 197.326 0.629 10 0 ACAEHO C[C@@H]1[NH2+]C[C@@H](CN(C)C)C[C@@H]1CO 107461542 573624117 /nfs/dbraw/zinc/62/41/17/573624117.db2.gz IEADBOFIBCLOQS-LPEHRKFASA-N 1 3 186.299 0.155 10 0 ACAEHO CCCN1CCC[C@](O)(C[NH3+])C1 107458229 573623953 /nfs/dbraw/zinc/62/39/53/573623953.db2.gz VREZRNHDTQZQBT-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO C[NH2+][C@H](CC(C)=O)C1CCN(C)CC1 259533221 573623964 /nfs/dbraw/zinc/62/39/64/573623964.db2.gz UTSMYPIPFLADPV-LLVKDONJSA-N 1 3 198.310 0.895 10 0 ACAEHO CCC(CC)(C[NH3+])NCCO 83758260 573623967 /nfs/dbraw/zinc/62/39/67/573623967.db2.gz LWJMWNHTYVBPPG-UHFFFAOYSA-N 1 3 160.261 0.086 10 0 ACAEHO C1[NH2+]CC2(CC2)[C@@H]1CN1C[C@H]2C[C@H]2C1 716010750 573624025 /nfs/dbraw/zinc/62/40/25/573624025.db2.gz WECZJIOAQGLNNL-AXFHLTTASA-N 1 3 192.306 0.938 10 0 ACAEHO C[N@@H+]1CCC[C@H](c2oncc2CN)C1 257837967 573624031 /nfs/dbraw/zinc/62/40/31/573624031.db2.gz LFQCJMTYENDYDK-QMMMGPOBSA-N 1 3 195.266 0.943 10 0 ACAEHO C[N@H+]1CCC[C@H](c2oncc2CN)C1 257837967 573624036 /nfs/dbraw/zinc/62/40/36/573624036.db2.gz LFQCJMTYENDYDK-QMMMGPOBSA-N 1 3 195.266 0.943 10 0 ACAEHO C[N@@H+]1C[C@H]2C[C@@H]1C[C@H]2N 142833701 573624408 /nfs/dbraw/zinc/62/44/08/573624408.db2.gz XDRDPPRAPKQIBS-FSDSQADBSA-N 1 3 126.203 0.038 10 0 ACAEHO C[N@H+]1C[C@H]2C[C@@H]1C[C@H]2N 142833701 573624415 /nfs/dbraw/zinc/62/44/15/573624415.db2.gz XDRDPPRAPKQIBS-FSDSQADBSA-N 1 3 126.203 0.038 10 0 ACAEHO C[N@@H+]1CCC[C@@H](c2oncc2CN)C1 257837965 573624730 /nfs/dbraw/zinc/62/47/30/573624730.db2.gz LFQCJMTYENDYDK-MRVPVSSYSA-N 1 3 195.266 0.943 10 0 ACAEHO C[N@H+]1CCC[C@@H](c2oncc2CN)C1 257837965 573624746 /nfs/dbraw/zinc/62/47/46/573624746.db2.gz LFQCJMTYENDYDK-MRVPVSSYSA-N 1 3 195.266 0.943 10 0 ACAEHO CCCN1CCC[C@@](O)(C[NH3+])C1 107458231 573624863 /nfs/dbraw/zinc/62/48/63/573624863.db2.gz VREZRNHDTQZQBT-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO CNC(C)(C)C[NH2+]CCn1ccnc1 308644220 573625193 /nfs/dbraw/zinc/62/51/93/573625193.db2.gz GDAFZDWKIPJUCQ-UHFFFAOYSA-N 1 3 196.298 0.471 10 0 ACAEHO CC(C)(C[NH3+])NC[C@@H]1CCCO1 83774409 573625116 /nfs/dbraw/zinc/62/51/16/573625116.db2.gz VTZCPADYDQVXHT-QMMMGPOBSA-N 1 3 172.272 0.492 10 0 ACAEHO [NH3+]C[C@]1(NC2CCCC2)CCOC1 83762445 573625971 /nfs/dbraw/zinc/62/59/71/573625971.db2.gz JOTCKEBUSMFNSK-SNVBAGLBSA-N 1 3 184.283 0.636 10 0 ACAEHO C[C@@H](N[C@H]1CCCOC1)C1C[NH2+]C1 686247535 573626418 /nfs/dbraw/zinc/62/64/18/573626418.db2.gz BPFVXXASQKYENT-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]([NH2+][C@H]1CCCOC1)C1CNC1 686247535 573626423 /nfs/dbraw/zinc/62/64/23/573626423.db2.gz BPFVXXASQKYENT-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1C[C@H](N)C[C@@H]2CCC[N@@H+]21 238453472 573626937 /nfs/dbraw/zinc/62/69/37/573626937.db2.gz CETNREHZGJMZED-VGMNWLOBSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1C[C@H](N)C[C@@H]2CCC[N@H+]21 238453472 573626944 /nfs/dbraw/zinc/62/69/44/573626944.db2.gz CETNREHZGJMZED-VGMNWLOBSA-N 1 3 154.257 0.960 10 0 ACAEHO CCN1CCC[C@H]([NH2+][C@H](C)[C@H](C)N)C1 308649841 573627960 /nfs/dbraw/zinc/62/79/60/573627960.db2.gz JMDYHJXFPGLCFY-AXFHLTTASA-N 1 3 199.342 0.796 10 0 ACAEHO CCN1CCC[C@H](N[C@H](C)[C@H](C)[NH3+])C1 308649841 573627966 /nfs/dbraw/zinc/62/79/66/573627966.db2.gz JMDYHJXFPGLCFY-AXFHLTTASA-N 1 3 199.342 0.796 10 0 ACAEHO C1Cc2nc([C@H]3CC[NH2+]C3)[nH]c2CN1 258824884 573627992 /nfs/dbraw/zinc/62/79/92/573627992.db2.gz RNDFNASMOLAWPU-ZETCQYMHSA-N 1 3 192.266 0.132 10 0 ACAEHO C[C@H]1CCC[C@@H]2CN(CC[NH3+])CCN12 238453467 573627999 /nfs/dbraw/zinc/62/79/99/573627999.db2.gz RUZQGHQKRCAVFF-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO N[C@H]1CCC[N@@H+](C2CCOCC2)CC1 107465230 573629671 /nfs/dbraw/zinc/62/96/71/573629671.db2.gz PNZRVPYTIKFTFT-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CCC[N@H+](C2CCOCC2)CC1 107465230 573629675 /nfs/dbraw/zinc/62/96/75/573629675.db2.gz PNZRVPYTIKFTFT-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO Cn1nc(C[C@@H]2CCC[NH2+]2)cc1CN 259132351 573630696 /nfs/dbraw/zinc/63/06/96/573630696.db2.gz GWKCWKZQAKKZQE-QMMMGPOBSA-N 1 3 194.282 0.173 10 0 ACAEHO CCN1CCC[C@H]([NH2+][C@H](C)[C@@H](C)N)C1 308649844 573630823 /nfs/dbraw/zinc/63/08/23/573630823.db2.gz JMDYHJXFPGLCFY-MXWKQRLJSA-N 1 3 199.342 0.796 10 0 ACAEHO CCN1CCC[C@H](N[C@H](C)[C@@H](C)[NH3+])C1 308649844 573630829 /nfs/dbraw/zinc/63/08/29/573630829.db2.gz JMDYHJXFPGLCFY-MXWKQRLJSA-N 1 3 199.342 0.796 10 0 ACAEHO CC[C@@](C)([NH3+])CNC 86809333 573630831 /nfs/dbraw/zinc/63/08/31/573630831.db2.gz BQHGTAJKVJFIGU-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO C[C@@H]1[C@H](N)[C@@H](CN)C[N@@H+]1C(C)(C)C 238460166 573631170 /nfs/dbraw/zinc/63/11/70/573631170.db2.gz DQANXHIRDMHOQQ-VGMNWLOBSA-N 1 3 185.315 0.391 10 0 ACAEHO C[C@@H]1[C@H](N)[C@@H](CN)C[N@H+]1C(C)(C)C 238460166 573631173 /nfs/dbraw/zinc/63/11/73/573631173.db2.gz DQANXHIRDMHOQQ-VGMNWLOBSA-N 1 3 185.315 0.391 10 0 ACAEHO C[C@H](N[C@H]1CCCOC1)C1C[NH2+]C1 686247543 573631208 /nfs/dbraw/zinc/63/12/08/573631208.db2.gz BPFVXXASQKYENT-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCCOC1)C1CNC1 686247543 573631210 /nfs/dbraw/zinc/63/12/10/573631210.db2.gz BPFVXXASQKYENT-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO CC[C@](C)([NH3+])CN1CCCN(C)CC1 86808927 573632986 /nfs/dbraw/zinc/63/29/86/573632986.db2.gz WNVQNHPYHXUBFR-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCN1CCC[C@@H]1[C@@H]1C[NH2+][C@@H](CO)C1 258073581 573632953 /nfs/dbraw/zinc/63/29/53/573632953.db2.gz FLJLSPYURVYRIW-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH+](C)[C@H]1CC[C@H]1N 211971893 573633180 /nfs/dbraw/zinc/63/31/80/573633180.db2.gz WOVCKCWRYAHUDR-RITPCOANSA-N 1 3 114.192 0.038 10 0 ACAEHO CCC([NH3+])(CC)CNC 86814459 573633591 /nfs/dbraw/zinc/63/35/91/573633591.db2.gz WCYRVWKRULFQIP-UHFFFAOYSA-N 1 3 130.235 0.723 10 0 ACAEHO NCc1cc([C@H]2CCC[NH2+]2)c[nH]c1=O 259535939 573633908 /nfs/dbraw/zinc/63/39/08/573633908.db2.gz BNEALVFZXXOAIZ-SECBINFHSA-N 1 3 193.250 0.670 10 0 ACAEHO CCNC[C@@](C)([NH3+])CC 86809337 573633975 /nfs/dbraw/zinc/63/39/75/573633975.db2.gz QNXXFKVFGQQRAT-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO CN1CCC(F)(F)[C@@]2(CC[NH2+]C2)C1 257835007 573634025 /nfs/dbraw/zinc/63/40/25/573634025.db2.gz KLYRCVSRICXITG-MRVPVSSYSA-N 1 3 190.237 0.937 10 0 ACAEHO C1CC[C@H](CNC2=[NH+]CCCN2)NC1 257834502 573634110 /nfs/dbraw/zinc/63/41/10/573634110.db2.gz ABBNOOWEHPDKMS-SECBINFHSA-N 1 3 196.298 0.067 10 0 ACAEHO C[NH+](C)[C@@H]1CC[C@@H]1N 211971747 573635193 /nfs/dbraw/zinc/63/51/93/573635193.db2.gz WOVCKCWRYAHUDR-NTSWFWBYSA-N 1 3 114.192 0.038 10 0 ACAEHO CCN1CCC[C@@H]1[C@H]1C[NH2+][C@H](CO)C1 258073583 573635487 /nfs/dbraw/zinc/63/54/87/573635487.db2.gz FLJLSPYURVYRIW-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO NCc1cc([C@@H]2CCC[NH2+]2)c[nH]c1=O 259535950 573636742 /nfs/dbraw/zinc/63/67/42/573636742.db2.gz BNEALVFZXXOAIZ-VIFPVBQESA-N 1 3 193.250 0.670 10 0 ACAEHO [NH3+]CCNCCCOCc1ccco1 308652797 573637186 /nfs/dbraw/zinc/63/71/86/573637186.db2.gz LJCMMWUVCRIJBC-UHFFFAOYSA-N 1 3 198.266 0.735 10 0 ACAEHO C[C@H]([NH3+])C1(CN)CC1 259145960 573636976 /nfs/dbraw/zinc/63/69/76/573636976.db2.gz BILSMXJRTFQWMY-YFKPBYRVSA-N 1 3 114.192 0.073 10 0 ACAEHO CN1CCC(F)(F)[C@]2(CC[NH2+]C2)C1 257835009 573637017 /nfs/dbraw/zinc/63/70/17/573637017.db2.gz KLYRCVSRICXITG-QMMMGPOBSA-N 1 3 190.237 0.937 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C[C@@H](O)C1CC1 308651753 573637069 /nfs/dbraw/zinc/63/70/69/573637069.db2.gz KOSXSZXAFBNWNA-DVVUODLYSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H](O)C1CC1 308651753 573637073 /nfs/dbraw/zinc/63/70/73/573637073.db2.gz KOSXSZXAFBNWNA-DVVUODLYSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](N)[C@@H]([N@H+](C)CCO)C(C)(C)C 43293118 573639530 /nfs/dbraw/zinc/63/95/30/573639530.db2.gz POXJQFBOFMELMD-DTWKUNHWSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@H](N)[C@@H]([N@@H+](C)CCO)C(C)(C)C 43293118 573639536 /nfs/dbraw/zinc/63/95/36/573639536.db2.gz POXJQFBOFMELMD-DTWKUNHWSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@@H](N)c1nc([C@@H]2CC[N@H+](C)C2)c[nH]1 259147498 573639621 /nfs/dbraw/zinc/63/96/21/573639621.db2.gz SJLYRNKMRGNKAV-HTQZYQBOSA-N 1 3 194.282 0.849 10 0 ACAEHO C[C@@H](N)c1nc([C@@H]2CC[N@@H+](C)C2)c[nH]1 259147498 573639627 /nfs/dbraw/zinc/63/96/27/573639627.db2.gz SJLYRNKMRGNKAV-HTQZYQBOSA-N 1 3 194.282 0.849 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]C[C@@H](O)C1CC1 308651754 573641169 /nfs/dbraw/zinc/64/11/69/573641169.db2.gz KOSXSZXAFBNWNA-FBIMIBRVSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1NC[C@@H](O)C1CC1 308651754 573641173 /nfs/dbraw/zinc/64/11/73/573641173.db2.gz KOSXSZXAFBNWNA-FBIMIBRVSA-N 1 3 198.310 0.345 10 0 ACAEHO CC(C)(CNCC[NH3+])c1ccc[nH]1 258827068 573641833 /nfs/dbraw/zinc/64/18/33/573641833.db2.gz UYBWOJKUFPQISX-UHFFFAOYSA-N 1 3 181.283 0.841 10 0 ACAEHO C[C@@H](N[C@H]1CCSC1)C1C[NH2+]C1 686247832 573641984 /nfs/dbraw/zinc/64/19/84/573641984.db2.gz CEUFLOZYOWVELM-APPZFPTMSA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@@H]([NH2+][C@H]1CCSC1)C1CNC1 686247832 573641985 /nfs/dbraw/zinc/64/19/85/573641985.db2.gz CEUFLOZYOWVELM-APPZFPTMSA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@H](N[C@@H]1CCSC1)C1C[NH2+]C1 686247839 573642050 /nfs/dbraw/zinc/64/20/50/573642050.db2.gz CEUFLOZYOWVELM-IONNQARKSA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCSC1)C1CNC1 686247839 573642052 /nfs/dbraw/zinc/64/20/52/573642052.db2.gz CEUFLOZYOWVELM-IONNQARKSA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@@H]1C[C@](C)([NH3+])CCN1C 82409600 573642067 /nfs/dbraw/zinc/64/20/67/573642067.db2.gz BXZUZRVTXXRNRK-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[NH+](CC)CCOCCN(C)C 393545954 573642231 /nfs/dbraw/zinc/64/22/31/573642231.db2.gz SKONQUYDXIBTRG-UHFFFAOYSA-N 1 3 188.315 0.906 10 0 ACAEHO C[C@@H](N[C@@H]1CCSC1)C1C[NH2+]C1 686247846 573642640 /nfs/dbraw/zinc/64/26/40/573642640.db2.gz CEUFLOZYOWVELM-VXNVDRBHSA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1CCSC1)C1CNC1 686247846 573642646 /nfs/dbraw/zinc/64/26/46/573642646.db2.gz CEUFLOZYOWVELM-VXNVDRBHSA-N 1 3 186.324 0.689 10 0 ACAEHO C[C@H](CCC[NH3+])N1CCC[C@@H]1C(N)=O 393667685 573642681 /nfs/dbraw/zinc/64/26/81/573642681.db2.gz FCOYPQZXZAJIOS-RKDXNWHRSA-N 1 3 199.298 0.064 10 0 ACAEHO CC[C@H](CNC)[C@H](C)[NH2+]C 259150769 573643798 /nfs/dbraw/zinc/64/37/98/573643798.db2.gz ICHDFRVHBBKOJD-JGVFFNPUSA-N 1 3 144.262 0.840 10 0 ACAEHO CC[C@H](C[NH2+]C)[C@H](C)NC 259150769 573643803 /nfs/dbraw/zinc/64/38/03/573643803.db2.gz ICHDFRVHBBKOJD-JGVFFNPUSA-N 1 3 144.262 0.840 10 0 ACAEHO C[C@@H](CN1CCCC1)[NH2+]CC(C)(C)N 308654782 573643915 /nfs/dbraw/zinc/64/39/15/573643915.db2.gz MXAXFGUYGKZFSY-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@@H](CN)C12COC2 107781229 573644021 /nfs/dbraw/zinc/64/40/21/573644021.db2.gz DRKOHKCBTAZUPZ-DTWKUNHWSA-N 1 3 184.283 0.207 10 0 ACAEHO CC(C)(CN)C[NH2+]C1CCOCC1 258831129 573644105 /nfs/dbraw/zinc/64/41/05/573644105.db2.gz VJANHGODEUQHQW-UHFFFAOYSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H]1CCC[C@H]2CN(CC[NH3+])CCN12 238463188 573644110 /nfs/dbraw/zinc/64/41/10/573644110.db2.gz RUZQGHQKRCAVFF-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CN(C)C(C)(C)CN[C@H]1CCC[NH2+]C1 43324633 573644122 /nfs/dbraw/zinc/64/41/22/573644122.db2.gz OEFVIYXEMSUGTQ-JTQLQIEISA-N 1 3 199.342 0.668 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@H](CN)C12COC2 107781224 573644161 /nfs/dbraw/zinc/64/41/61/573644161.db2.gz DRKOHKCBTAZUPZ-IUCAKERBSA-N 1 3 184.283 0.207 10 0 ACAEHO [NH3+]C[C@H]1CN(CCO)CCC12CC2 107781013 573644424 /nfs/dbraw/zinc/64/44/24/573644424.db2.gz SZHTXVJTHBJWTC-VIFPVBQESA-N 1 3 184.283 0.040 10 0 ACAEHO CC(C)C[C@H]([C@@H](O)CN)[NH+](C)C 259539739 573644488 /nfs/dbraw/zinc/64/44/88/573644488.db2.gz NRMPTLUSPHQPMB-BDAKNGLRSA-N 1 3 174.288 0.282 10 0 ACAEHO CC(C)C[C@H]([C@@H](O)C[NH3+])N(C)C 259539739 573644495 /nfs/dbraw/zinc/64/44/95/573644495.db2.gz NRMPTLUSPHQPMB-BDAKNGLRSA-N 1 3 174.288 0.282 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@@]2(C)NCCO2)C1 258833598 573644564 /nfs/dbraw/zinc/64/45/64/573644564.db2.gz ZFWZCMRFWUMCNW-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@@]2(C)NCCO2)C1 258833598 573644570 /nfs/dbraw/zinc/64/45/70/573644570.db2.gz ZFWZCMRFWUMCNW-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@H](CN)C12COC2 107781222 573644582 /nfs/dbraw/zinc/64/45/82/573644582.db2.gz DRKOHKCBTAZUPZ-BDAKNGLRSA-N 1 3 184.283 0.207 10 0 ACAEHO CC[C@H](CNC)[C@@H](C)[NH2+]C 259150767 573644599 /nfs/dbraw/zinc/64/45/99/573644599.db2.gz ICHDFRVHBBKOJD-HTQZYQBOSA-N 1 3 144.262 0.840 10 0 ACAEHO CC[C@H](C[NH2+]C)[C@@H](C)NC 259150767 573644605 /nfs/dbraw/zinc/64/46/05/573644605.db2.gz ICHDFRVHBBKOJD-HTQZYQBOSA-N 1 3 144.262 0.840 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1ccncc1 258834962 573644765 /nfs/dbraw/zinc/64/47/65/573644765.db2.gz VNPCJVSPYBWMFB-SNVBAGLBSA-N 1 3 193.294 0.809 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1ccncc1 258834962 573644771 /nfs/dbraw/zinc/64/47/71/573644771.db2.gz VNPCJVSPYBWMFB-SNVBAGLBSA-N 1 3 193.294 0.809 10 0 ACAEHO CC(C)C[C@@H]([C@@H](O)CN)[NH+](C)C 259539745 573644866 /nfs/dbraw/zinc/64/48/66/573644866.db2.gz NRMPTLUSPHQPMB-IUCAKERBSA-N 1 3 174.288 0.282 10 0 ACAEHO CC(C)C[C@@H]([C@@H](O)C[NH3+])N(C)C 259539745 573644872 /nfs/dbraw/zinc/64/48/72/573644872.db2.gz NRMPTLUSPHQPMB-IUCAKERBSA-N 1 3 174.288 0.282 10 0 ACAEHO C[C@H]1CN(CCO)C[C@H](C[NH3+])C12CC2 107781840 573645241 /nfs/dbraw/zinc/64/52/41/573645241.db2.gz ILHBPXPOOVLEJM-UWVGGRQHSA-N 1 3 198.310 0.286 10 0 ACAEHO C[C@H]1C[N@H+](CCO)C[C@H](CN)C12CC2 107781840 573645245 /nfs/dbraw/zinc/64/52/45/573645245.db2.gz ILHBPXPOOVLEJM-UWVGGRQHSA-N 1 3 198.310 0.286 10 0 ACAEHO C[C@H]1C[N@@H+](CCO)C[C@H](CN)C12CC2 107781840 573645249 /nfs/dbraw/zinc/64/52/49/573645249.db2.gz ILHBPXPOOVLEJM-UWVGGRQHSA-N 1 3 198.310 0.286 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@]2(C)NCCO2)C1 258833579 573646827 /nfs/dbraw/zinc/64/68/27/573646827.db2.gz ZFWZCMRFWUMCNW-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO C=COCCC[NH2+][C@H](C)C1CNC1 686248012 573645582 /nfs/dbraw/zinc/64/55/82/573645582.db2.gz GILUWFRVZYEZFI-SECBINFHSA-N 1 3 184.283 0.734 10 0 ACAEHO C=COCCCN[C@H](C)C1C[NH2+]C1 686248012 573645586 /nfs/dbraw/zinc/64/55/86/573645586.db2.gz GILUWFRVZYEZFI-SECBINFHSA-N 1 3 184.283 0.734 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H](CN)C12CCC2 107781528 573646012 /nfs/dbraw/zinc/64/60/12/573646012.db2.gz CXWFVMUGNDGCHR-IUCAKERBSA-N 1 3 168.284 0.971 10 0 ACAEHO [NH3+]C[C@@H]1CN(CCO)CCC12CC2 107781016 573646320 /nfs/dbraw/zinc/64/63/20/573646320.db2.gz SZHTXVJTHBJWTC-SECBINFHSA-N 1 3 184.283 0.040 10 0 ACAEHO C[C@H]([NH3+])CCNCCc1ccc[nH]1 258831070 573646410 /nfs/dbraw/zinc/64/64/10/573646410.db2.gz VIHSMXCSVANWEP-VIFPVBQESA-N 1 3 181.283 0.884 10 0 ACAEHO C[C@H](N)CC[NH2+]CCc1ccc[nH]1 258831070 573646415 /nfs/dbraw/zinc/64/64/15/573646415.db2.gz VIHSMXCSVANWEP-VIFPVBQESA-N 1 3 181.283 0.884 10 0 ACAEHO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 258832835 573646467 /nfs/dbraw/zinc/64/64/67/573646467.db2.gz DICJHGHLRSRSMG-GARJFASQSA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 258832835 573646470 /nfs/dbraw/zinc/64/64/70/573646470.db2.gz DICJHGHLRSRSMG-GARJFASQSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](CN)C12CCC2 107781531 573646502 /nfs/dbraw/zinc/64/65/02/573646502.db2.gz CXWFVMUGNDGCHR-RKDXNWHRSA-N 1 3 168.284 0.971 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@]2(C)NCCO2)C1 258833579 573646832 /nfs/dbraw/zinc/64/68/32/573646832.db2.gz ZFWZCMRFWUMCNW-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H](CN1CCCC1)[NH2+]CC(C)(C)N 308654783 573647076 /nfs/dbraw/zinc/64/70/76/573647076.db2.gz MXAXFGUYGKZFSY-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H](C[C@@H]1CN(C)CCN1)[NH+](C)C 259541914 573647077 /nfs/dbraw/zinc/64/70/77/573647077.db2.gz NWUQWGVSWPSVSU-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H](C[NH+](C)C)n1cncc1CN 130727095 573646991 /nfs/dbraw/zinc/64/69/91/573646991.db2.gz SSLQDMKPNPNEFJ-QMMMGPOBSA-N 1 3 182.271 0.464 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@@H](CN)C12COC2 107781227 573647000 /nfs/dbraw/zinc/64/70/00/573647000.db2.gz DRKOHKCBTAZUPZ-RKDXNWHRSA-N 1 3 184.283 0.207 10 0 ACAEHO CC(C)[C@H](N)C1C[NH2+]C1 259541544 573647966 /nfs/dbraw/zinc/64/79/66/573647966.db2.gz WZTKQICSOVVZQM-ZETCQYMHSA-N 1 3 128.219 0.189 10 0 ACAEHO C1CSC(NC2CC[NH2+]CC2)=N1 259541142 573648035 /nfs/dbraw/zinc/64/80/35/573648035.db2.gz BTYLNUMXQLPCRD-UHFFFAOYSA-N 1 3 185.296 0.431 10 0 ACAEHO CC(C)[C@@H](N)C1C[NH2+]C1 259541541 573648105 /nfs/dbraw/zinc/64/81/05/573648105.db2.gz WZTKQICSOVVZQM-SSDOTTSWSA-N 1 3 128.219 0.189 10 0 ACAEHO CN(C)C(C)(C)CN[C@@H]1CCC[NH2+]C1 43324631 573649401 /nfs/dbraw/zinc/64/94/01/573649401.db2.gz OEFVIYXEMSUGTQ-SNVBAGLBSA-N 1 3 199.342 0.668 10 0 ACAEHO CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]2N)C1 258832829 573649552 /nfs/dbraw/zinc/64/95/52/573649552.db2.gz DICJHGHLRSRSMG-AXFHLTTASA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 258832829 573649554 /nfs/dbraw/zinc/64/95/54/573649554.db2.gz DICJHGHLRSRSMG-AXFHLTTASA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H]1C[C@](C)(O)[C@@H](C[NH3+])CN1C 238465715 573649658 /nfs/dbraw/zinc/64/96/58/573649658.db2.gz JLXNQGGMWBUTOH-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@](C)(O)[C@@H](CN)C[N@@H+]1C 238465715 573649665 /nfs/dbraw/zinc/64/96/65/573649665.db2.gz JLXNQGGMWBUTOH-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@](C)(O)[C@@H](CN)C[N@H+]1C 238465715 573649666 /nfs/dbraw/zinc/64/96/66/573649666.db2.gz JLXNQGGMWBUTOH-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[N@H+](CCC1CCCC1)C[C@H](N)CN 258829720 573649805 /nfs/dbraw/zinc/64/98/05/573649805.db2.gz DFPVTQCCYAVEHO-LLVKDONJSA-N 1 3 199.342 0.785 10 0 ACAEHO C[N@@H+](CCC1CCCC1)C[C@H](N)CN 258829720 573649810 /nfs/dbraw/zinc/64/98/10/573649810.db2.gz DFPVTQCCYAVEHO-LLVKDONJSA-N 1 3 199.342 0.785 10 0 ACAEHO CN(CCC1CCCC1)C[C@H](N)C[NH3+] 258829720 573649814 /nfs/dbraw/zinc/64/98/14/573649814.db2.gz DFPVTQCCYAVEHO-LLVKDONJSA-N 1 3 199.342 0.785 10 0 ACAEHO C[C@@H](CCC[NH3+])NCc1ccncn1 308658084 573650280 /nfs/dbraw/zinc/65/02/80/573650280.db2.gz OKERBRKGHVZAEO-VIFPVBQESA-N 1 3 194.282 0.694 10 0 ACAEHO C[C@H](NC[C@@H]([NH3+])CN)c1ccccc1 258839259 573650497 /nfs/dbraw/zinc/65/04/97/573650497.db2.gz AKBRPCFKTNLDIY-ONGXEEELSA-N 1 3 193.294 0.623 10 0 ACAEHO COCC[NH2+][C@H]1CCNC(C)(C)C1 258838160 573650883 /nfs/dbraw/zinc/65/08/83/573650883.db2.gz WMPJTOUSSUJHOZ-VIFPVBQESA-N 1 3 186.299 0.753 10 0 ACAEHO CN1CCC(C2(C[NH3+])CC(=O)C2)CC1 257840673 573650886 /nfs/dbraw/zinc/65/08/86/573650886.db2.gz BOHLEEHTMDWTPH-UHFFFAOYSA-N 1 3 196.294 0.636 10 0 ACAEHO CN1CCC[C@@H](NCC(C)(C)C[NH3+])C1 258838958 573654168 /nfs/dbraw/zinc/65/41/68/573654168.db2.gz VZFCJKXPFWPCCI-SNVBAGLBSA-N 1 3 199.342 0.655 10 0 ACAEHO CSC[C@H](C)N[C@@H](C)C1C[NH2+]C1 686248041 573652842 /nfs/dbraw/zinc/65/28/42/573652842.db2.gz GCMJXKLSFBWHCK-YUMQZZPRSA-N 1 3 188.340 0.935 10 0 ACAEHO CSC[C@H](C)[NH2+][C@@H](C)C1CNC1 686248041 573652847 /nfs/dbraw/zinc/65/28/47/573652847.db2.gz GCMJXKLSFBWHCK-YUMQZZPRSA-N 1 3 188.340 0.935 10 0 ACAEHO C[C@@H](C[C@H]1CN(C)CCN1)[NH+](C)C 259543405 573652286 /nfs/dbraw/zinc/65/22/86/573652286.db2.gz NWUQWGVSWPSVSU-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN1CCC[C@H]([NH2+]CC(C)(C)CN)C1 258838953 573652331 /nfs/dbraw/zinc/65/23/31/573652331.db2.gz VZFCJKXPFWPCCI-JTQLQIEISA-N 1 3 199.342 0.655 10 0 ACAEHO CN1CCC[C@H](NCC(C)(C)C[NH3+])C1 258838953 573652334 /nfs/dbraw/zinc/65/23/34/573652334.db2.gz VZFCJKXPFWPCCI-JTQLQIEISA-N 1 3 199.342 0.655 10 0 ACAEHO C[C@@H](C[C@@H]1CN(C)CCN1)[NH+](C)C 259543408 573652343 /nfs/dbraw/zinc/65/23/43/573652343.db2.gz NWUQWGVSWPSVSU-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CSC[C@@H](C)N[C@@H](C)C1C[NH2+]C1 686248036 573652547 /nfs/dbraw/zinc/65/25/47/573652547.db2.gz GCMJXKLSFBWHCK-SFYZADRCSA-N 1 3 188.340 0.935 10 0 ACAEHO CSC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686248036 573652554 /nfs/dbraw/zinc/65/25/54/573652554.db2.gz GCMJXKLSFBWHCK-SFYZADRCSA-N 1 3 188.340 0.935 10 0 ACAEHO CCSCCN[C@H](C)C1C[NH2+]C1 686248117 573652643 /nfs/dbraw/zinc/65/26/43/573652643.db2.gz INWKOSPUQRQMAX-MRVPVSSYSA-N 1 3 188.340 0.937 10 0 ACAEHO CCSCC[NH2+][C@H](C)C1CNC1 686248117 573652645 /nfs/dbraw/zinc/65/26/45/573652645.db2.gz INWKOSPUQRQMAX-MRVPVSSYSA-N 1 3 188.340 0.937 10 0 ACAEHO CN1CCC([NH2+]CC(C)(C)CN)CC1 258842900 573652774 /nfs/dbraw/zinc/65/27/74/573652774.db2.gz WLMRWFXMBSTXOJ-UHFFFAOYSA-N 1 3 199.342 0.655 10 0 ACAEHO CCSCC[NH2+][C@@H](C)C1CNC1 686248120 573653681 /nfs/dbraw/zinc/65/36/81/573653681.db2.gz INWKOSPUQRQMAX-QMMMGPOBSA-N 1 3 188.340 0.937 10 0 ACAEHO CCSCCN[C@@H](C)C1C[NH2+]C1 686248120 573653674 /nfs/dbraw/zinc/65/36/74/573653674.db2.gz INWKOSPUQRQMAX-QMMMGPOBSA-N 1 3 188.340 0.937 10 0 ACAEHO COCC[NH2+][C@@H]1CCNC(C)(C)C1 258838159 573653922 /nfs/dbraw/zinc/65/39/22/573653922.db2.gz WMPJTOUSSUJHOZ-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@H](NC[C@H]([NH3+])CN)c1ccccc1 258839131 573653964 /nfs/dbraw/zinc/65/39/64/573653964.db2.gz AKBRPCFKTNLDIY-GXSJLCMTSA-N 1 3 193.294 0.623 10 0 ACAEHO CSC[C@@H](C)N[C@H](C)C1C[NH2+]C1 686248030 573654018 /nfs/dbraw/zinc/65/40/18/573654018.db2.gz GCMJXKLSFBWHCK-HTQZYQBOSA-N 1 3 188.340 0.935 10 0 ACAEHO CSC[C@@H](C)[NH2+][C@H](C)C1CNC1 686248030 573654022 /nfs/dbraw/zinc/65/40/22/573654022.db2.gz GCMJXKLSFBWHCK-HTQZYQBOSA-N 1 3 188.340 0.935 10 0 ACAEHO CN1CCC[C@@H]([NH2+]CC(C)(C)CN)C1 258838958 573654162 /nfs/dbraw/zinc/65/41/62/573654162.db2.gz VZFCJKXPFWPCCI-SNVBAGLBSA-N 1 3 199.342 0.655 10 0 ACAEHO C1C[C@@H]([NH2+]CCC2CCOCC2)CN1 258842877 573654562 /nfs/dbraw/zinc/65/45/62/573654562.db2.gz DVAULJUUIGOLKT-LLVKDONJSA-N 1 3 198.310 0.755 10 0 ACAEHO C[NH2+]CCCN[C@@H]1CCCN(C)C1 258852719 573657094 /nfs/dbraw/zinc/65/70/94/573657094.db2.gz XRPPTFHINGCYON-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CNCN(C)CC[C@@H]1CCC[N@H+](C)C1 258853675 573657046 /nfs/dbraw/zinc/65/70/46/573657046.db2.gz JEUKIKTXNAGINI-NSHDSACASA-N 1 3 199.342 0.827 10 0 ACAEHO CNCN(C)CC[C@@H]1CCC[N@@H+](C)C1 258853675 573657051 /nfs/dbraw/zinc/65/70/51/573657051.db2.gz JEUKIKTXNAGINI-NSHDSACASA-N 1 3 199.342 0.827 10 0 ACAEHO CN[C@@H](C[NH2+]C1CC1)C(C)C 259544716 573657940 /nfs/dbraw/zinc/65/79/40/573657940.db2.gz VLMCRADUOVGXLJ-VIFPVBQESA-N 1 3 156.273 0.982 10 0 ACAEHO CNCN(C)CC[C@H]1CCC[N@H+](C)C1 258853673 573657945 /nfs/dbraw/zinc/65/79/45/573657945.db2.gz JEUKIKTXNAGINI-LLVKDONJSA-N 1 3 199.342 0.827 10 0 ACAEHO CNCN(C)CC[C@H]1CCC[N@@H+](C)C1 258853673 573657949 /nfs/dbraw/zinc/65/79/49/573657949.db2.gz JEUKIKTXNAGINI-LLVKDONJSA-N 1 3 199.342 0.827 10 0 ACAEHO CN1CCC[C@@H]([C@]2(C)[NH2+]CCO2)C1 258846837 573658046 /nfs/dbraw/zinc/65/80/46/573658046.db2.gz ZUQOWRXFJRGHRT-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H]([NH2+]CC1(C)COC1)C1CNC1 686248392 573659892 /nfs/dbraw/zinc/65/98/92/573659892.db2.gz NCMALGFOTXQORS-QMMMGPOBSA-N 1 3 184.283 0.220 10 0 ACAEHO C[C@H](NCC1(C)COC1)C1C[NH2+]C1 686248392 573659898 /nfs/dbraw/zinc/65/98/98/573659898.db2.gz NCMALGFOTXQORS-QMMMGPOBSA-N 1 3 184.283 0.220 10 0 ACAEHO CN(CN)CC[C@H]1CC[N@H+](C)C1 258850320 573659964 /nfs/dbraw/zinc/65/99/64/573659964.db2.gz IYXJEMOGUUUFAK-SECBINFHSA-N 1 3 171.288 0.176 10 0 ACAEHO CN(CN)CC[C@H]1CC[N@@H+](C)C1 258850320 573659969 /nfs/dbraw/zinc/65/99/69/573659969.db2.gz IYXJEMOGUUUFAK-SECBINFHSA-N 1 3 171.288 0.176 10 0 ACAEHO C[C@@H]([NH3+])c1ccnn1[C@@H]1CCN(C)C1 257843307 573660161 /nfs/dbraw/zinc/66/01/61/573660161.db2.gz MWQDMUFLWXXICZ-RKDXNWHRSA-N 1 3 194.282 0.779 10 0 ACAEHO C[C@@H]1CO[C@H](C[C@H]2CC[N@H+](C)C2)N1 258849806 573660250 /nfs/dbraw/zinc/66/02/50/573660250.db2.gz ZWWKGZSSBIIXEL-OPRDCNLKSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]1CO[C@H](C[C@H]2CC[N@@H+](C)C2)N1 258849806 573660255 /nfs/dbraw/zinc/66/02/55/573660255.db2.gz ZWWKGZSSBIIXEL-OPRDCNLKSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@H]([NH3+])c1ccnn1[C@H]1CCN(C)C1 257843304 573660266 /nfs/dbraw/zinc/66/02/66/573660266.db2.gz MWQDMUFLWXXICZ-IUCAKERBSA-N 1 3 194.282 0.779 10 0 ACAEHO CCC[C@H]([NH3+])C1(CN)COC1 259617685 573660297 /nfs/dbraw/zinc/66/02/97/573660297.db2.gz XSFROBBRAXXEMC-ZETCQYMHSA-N 1 3 158.245 0.089 10 0 ACAEHO C[C@@H]([NH2+]CC1(C)COC1)C1CNC1 686248391 573660329 /nfs/dbraw/zinc/66/03/29/573660329.db2.gz NCMALGFOTXQORS-MRVPVSSYSA-N 1 3 184.283 0.220 10 0 ACAEHO C[C@@H](NCC1(C)COC1)C1C[NH2+]C1 686248391 573660340 /nfs/dbraw/zinc/66/03/40/573660340.db2.gz NCMALGFOTXQORS-MRVPVSSYSA-N 1 3 184.283 0.220 10 0 ACAEHO Cc1ncc(C[NH3+])c(CN)c1Cl 238471793 573660344 /nfs/dbraw/zinc/66/03/44/573660344.db2.gz CVVQUHGUUGRSGD-UHFFFAOYSA-N 1 3 185.658 0.961 10 0 ACAEHO CN1CCC[C@H]([C@@]2(C)[NH2+]CCO2)C1 258846839 573660375 /nfs/dbraw/zinc/66/03/75/573660375.db2.gz ZUQOWRXFJRGHRT-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO CC(C)(N)[C@@]1(F)CC[NH2+]C1 258509089 573660629 /nfs/dbraw/zinc/66/06/29/573660629.db2.gz LDKUGSMXCVSTNU-SSDOTTSWSA-N 1 3 146.209 0.425 10 0 ACAEHO CC(C)([NH3+])[C@@]1(F)CCNC1 258509089 573660642 /nfs/dbraw/zinc/66/06/42/573660642.db2.gz LDKUGSMXCVSTNU-SSDOTTSWSA-N 1 3 146.209 0.425 10 0 ACAEHO CC[N@@H+]1CC[C@]2(N)C[C@@H]2C1 258084483 573660862 /nfs/dbraw/zinc/66/08/62/573660862.db2.gz WAQQVLKUCUGJQE-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO CC[N@H+]1CC[C@]2(N)C[C@@H]2C1 258084483 573660871 /nfs/dbraw/zinc/66/08/71/573660871.db2.gz WAQQVLKUCUGJQE-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO CCN1CC[C@]2([NH3+])C[C@@H]2C1 258084483 573660876 /nfs/dbraw/zinc/66/08/76/573660876.db2.gz WAQQVLKUCUGJQE-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO C[C@@H]([NH2+]CCC1CC(O)C1)C1CNC1 686248670 573665077 /nfs/dbraw/zinc/66/50/77/573665077.db2.gz QDCTXGGFCLJTOB-FKTRJACZSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH3+])c1ccnn1[C@@H]1CCN(C)C1 257843301 573662148 /nfs/dbraw/zinc/66/21/48/573662148.db2.gz MWQDMUFLWXXICZ-DTWKUNHWSA-N 1 3 194.282 0.779 10 0 ACAEHO CNc1cc(NCCC[NH3+])nc(C)n1 258849533 573662362 /nfs/dbraw/zinc/66/23/62/573662362.db2.gz BFSKTFFDOHVHDN-UHFFFAOYSA-N 1 3 195.270 0.587 10 0 ACAEHO CN(CCC[NH3+])CCc1ccc[nH]1 258854336 573665001 /nfs/dbraw/zinc/66/50/01/573665001.db2.gz XVUVPIJQMAUVPX-UHFFFAOYSA-N 1 3 181.283 0.838 10 0 ACAEHO Cn1nc(C[C@@H]2CC[NH2+]C2)cc1CN 258413483 573664355 /nfs/dbraw/zinc/66/43/55/573664355.db2.gz DGBSDPRDBGDSAN-QMMMGPOBSA-N 1 3 194.282 0.031 10 0 ACAEHO C[C@H](NCC1(N(C)C)CC1)C1C[NH2+]C1 686248759 573664477 /nfs/dbraw/zinc/66/44/77/573664477.db2.gz QPZJFHJAIYOTPB-VIFPVBQESA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H](C[NH+](C)C)n1cncc1CN 130727290 573665899 /nfs/dbraw/zinc/66/58/99/573665899.db2.gz SSLQDMKPNPNEFJ-MRVPVSSYSA-N 1 3 182.271 0.464 10 0 ACAEHO C[C@H](C1CNC1)[NH+]1CCCC1 258629609 573665961 /nfs/dbraw/zinc/66/59/61/573665961.db2.gz XQZBAPZHCJPQGL-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H](C1C[NH2+]C1)N1CCCC1 258629609 573665968 /nfs/dbraw/zinc/66/59/68/573665968.db2.gz XQZBAPZHCJPQGL-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H](NCC1(N(C)C)CC1)C1C[NH2+]C1 686248758 573666142 /nfs/dbraw/zinc/66/61/42/573666142.db2.gz QPZJFHJAIYOTPB-SECBINFHSA-N 1 3 197.326 0.278 10 0 ACAEHO C[NH2+]CC(C)(C)N[C@@H]1CCN(C)C1 258859586 573666219 /nfs/dbraw/zinc/66/62/19/573666219.db2.gz OHIFAJOOCNLTJP-SECBINFHSA-N 1 3 185.315 0.278 10 0 ACAEHO CN1CCC[C@H](C(=O)[C@@H]2CC[NH2+]C2)C1 259153820 573666440 /nfs/dbraw/zinc/66/64/40/573666440.db2.gz LEBIBBSOJDRCMM-ZJUUUORDSA-N 1 3 196.294 0.507 10 0 ACAEHO COC(=O)C(C)(C)CN[C@@H](C)C[NH3+] 393546688 573666655 /nfs/dbraw/zinc/66/66/55/573666655.db2.gz MAFKTLBMAYBNOV-ZETCQYMHSA-N 1 3 188.271 0.122 10 0 ACAEHO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C1CNC1 686248872 573672419 /nfs/dbraw/zinc/67/24/19/573672419.db2.gz RDZUZTWYYHYMPT-FBIMIBRVSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C1CNC1 686254720 573669492 /nfs/dbraw/zinc/66/94/92/573669492.db2.gz PYXRLZRQRSDYRP-GUBZILKMSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H](C[NH3+])CN[C@@H]1[C@H]2CCCC[C@H]21 308662026 573669717 /nfs/dbraw/zinc/66/97/17/573669717.db2.gz QOFBXYFIIGCSRS-ZNSHCXBVSA-N 1 3 198.310 0.738 10 0 ACAEHO CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N)C1 258862221 573669874 /nfs/dbraw/zinc/66/98/74/573669874.db2.gz FOSQAZKLIBPWGJ-IVZWLZJFSA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 258862221 573669881 /nfs/dbraw/zinc/66/98/81/573669881.db2.gz FOSQAZKLIBPWGJ-IVZWLZJFSA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H](NC(C)(C)CC[NH3+])C1 258867973 573670547 /nfs/dbraw/zinc/67/05/47/573670547.db2.gz OYVTVSVQSBRWOY-VIFPVBQESA-N 1 3 185.315 0.408 10 0 ACAEHO CC(C)(C)[C@@H](N)[C@@H]1CC[NH2+]C1 259154914 573671280 /nfs/dbraw/zinc/67/12/80/573671280.db2.gz DILGXLKANZPONY-SFYZADRCSA-N 1 3 156.273 0.969 10 0 ACAEHO C[NH2+][C@H]1CCCN([C@@H](C)CN(C)C)C1 130720132 573671404 /nfs/dbraw/zinc/67/14/04/573671404.db2.gz BGVPAQKKOUDCAL-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CN1C[C@H]2CC(=O)C[C@@H](C1)C2CC[NH3+] 258077127 573671601 /nfs/dbraw/zinc/67/16/01/573671601.db2.gz LWXQYXDGLCSFLO-SLHIUPAKSA-N 1 3 196.294 0.492 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C1CNC1 686254726 573671712 /nfs/dbraw/zinc/67/17/12/573671712.db2.gz PYXRLZRQRSDYRP-LPEHRKFASA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@@H]([NH3+])CNCCc1cc[nH]c1 258871236 573671879 /nfs/dbraw/zinc/67/18/79/573671879.db2.gz ZVSCUBDDUVCEII-MRVPVSSYSA-N 1 3 167.256 0.494 10 0 ACAEHO CO[C@H]1C[C@H](C[N@@H+]2CC[C@@H](CN)C2)C1 714725700 573671893 /nfs/dbraw/zinc/67/18/93/573671893.db2.gz YXKLPJWRSPDOTO-DCAQKATOSA-N 1 3 198.310 0.692 10 0 ACAEHO CO[C@H]1C[C@H](C[N@H+]2CC[C@@H](CN)C2)C1 714725700 573671898 /nfs/dbraw/zinc/67/18/98/573671898.db2.gz YXKLPJWRSPDOTO-DCAQKATOSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]([NH2+]C[C@]12COC[C@H]1C2)C1CNC1 686254677 573671937 /nfs/dbraw/zinc/67/19/37/573671937.db2.gz PHLOEPQAONFIPL-JMJZKYOTSA-N 1 3 196.294 0.220 10 0 ACAEHO C[C@H](NC[C@]12COC[C@H]1C2)C1C[NH2+]C1 686254677 573671944 /nfs/dbraw/zinc/67/19/44/573671944.db2.gz PHLOEPQAONFIPL-JMJZKYOTSA-N 1 3 196.294 0.220 10 0 ACAEHO C[NH2+][C@H]1CCN([C@@H](C)CN(C)C)C1 130721479 573672070 /nfs/dbraw/zinc/67/20/70/573672070.db2.gz XZIVXWGKOOLZRA-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C1CNC1 686254724 573672107 /nfs/dbraw/zinc/67/21/07/573672107.db2.gz PYXRLZRQRSDYRP-KXUCPTDWSA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@@H](NCC1=CCOCC1)C1C[NH2+]C1 686248865 573672297 /nfs/dbraw/zinc/67/22/97/573672297.db2.gz SQMIKEOEZQHYGW-SECBINFHSA-N 1 3 196.294 0.531 10 0 ACAEHO C[C@@H]([NH2+]CC1=CCOCC1)C1CNC1 686248865 573672302 /nfs/dbraw/zinc/67/23/02/573672302.db2.gz SQMIKEOEZQHYGW-SECBINFHSA-N 1 3 196.294 0.531 10 0 ACAEHO COCCCC[N@H+](C)C[C@@H](C)CN 130812730 573675311 /nfs/dbraw/zinc/67/53/11/573675311.db2.gz RCAUTRKBSVBRNR-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO C[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C1CNC1 686254727 573672682 /nfs/dbraw/zinc/67/26/82/573672682.db2.gz PYXRLZRQRSDYRP-UTLUCORTSA-N 1 3 198.310 0.609 10 0 ACAEHO COCCCC[N@@H+](C)C[C@@H](C)CN 130812730 573675317 /nfs/dbraw/zinc/67/53/17/573675317.db2.gz RCAUTRKBSVBRNR-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC[NH2+][C@H]1CCN([C@@H](C)CN(C)C)C1 130718985 573672755 /nfs/dbraw/zinc/67/27/55/573672755.db2.gz HLVDFMAVYSYQGN-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO COCCCCN(C)C[C@@H](C)C[NH3+] 130812730 573675319 /nfs/dbraw/zinc/67/53/19/573675319.db2.gz RCAUTRKBSVBRNR-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CC(C)(C)[C@H](N)[C@H]1CC[NH2+]C1 259154912 573673050 /nfs/dbraw/zinc/67/30/50/573673050.db2.gz DILGXLKANZPONY-JGVFFNPUSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H]([NH2+]C[C@@]12COC[C@@H]1C2)C1CNC1 686254679 573673109 /nfs/dbraw/zinc/67/31/09/573673109.db2.gz PHLOEPQAONFIPL-LSJOCFKGSA-N 1 3 196.294 0.220 10 0 ACAEHO C[C@H](NC[C@@]12COC[C@@H]1C2)C1C[NH2+]C1 686254679 573673117 /nfs/dbraw/zinc/67/31/17/573673117.db2.gz PHLOEPQAONFIPL-LSJOCFKGSA-N 1 3 196.294 0.220 10 0 ACAEHO C[C@H](C[NH3+])CNCc1ccc[nH]1 258860549 573673617 /nfs/dbraw/zinc/67/36/17/573673617.db2.gz YMQVECMAGZCGCA-MRVPVSSYSA-N 1 3 167.256 0.699 10 0 ACAEHO C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C1CNC1 686248874 573673310 /nfs/dbraw/zinc/67/33/10/573673310.db2.gz RDZUZTWYYHYMPT-LSJOCFKGSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H](CN1CCN(C)CC1)C1([NH3+])CC1 258078948 573673416 /nfs/dbraw/zinc/67/34/16/573673416.db2.gz MBSYTMYDAHOWAI-JTQLQIEISA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@@H](C[NH3+])CNCc1ccc[nH]1 258860550 573673990 /nfs/dbraw/zinc/67/39/90/573673990.db2.gz YMQVECMAGZCGCA-QMMMGPOBSA-N 1 3 167.256 0.699 10 0 ACAEHO CC(C)(C)[C@H](N)[C@@H]1CC[NH2+]C1 259154908 573674088 /nfs/dbraw/zinc/67/40/88/573674088.db2.gz DILGXLKANZPONY-HTQZYQBOSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H](CN1CCN(C)CC1)C1([NH3+])CC1 258078951 573674272 /nfs/dbraw/zinc/67/42/72/573674272.db2.gz MBSYTMYDAHOWAI-SNVBAGLBSA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCN(C)C2)CC[C@@H]1[NH3+] 86884318 573674859 /nfs/dbraw/zinc/67/48/59/573674859.db2.gz YXCRQELKFSYJQI-MXWKQRLJSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]([NH3+])CNCCc1cc[nH]c1 258871238 573674869 /nfs/dbraw/zinc/67/48/69/573674869.db2.gz ZVSCUBDDUVCEII-QMMMGPOBSA-N 1 3 167.256 0.494 10 0 ACAEHO C[C@@H]1CN(CCN(C)C)CC[C@@H]1[NH3+] 86886807 573674907 /nfs/dbraw/zinc/67/49/07/573674907.db2.gz BKEJTGXBFMBTKI-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1CN(CCN(C)C)CC[C@@H]1[NH3+] 86886810 573674939 /nfs/dbraw/zinc/67/49/39/573674939.db2.gz BKEJTGXBFMBTKI-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO CC(C)(C)[C@@H](N)[C@H]1CC[NH2+]C1 259154917 573675392 /nfs/dbraw/zinc/67/53/92/573675392.db2.gz DILGXLKANZPONY-YUMQZZPRSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@H]1CN(CC2([NH3+])CC2)CCN1C 83837478 573676243 /nfs/dbraw/zinc/67/62/43/573676243.db2.gz ZRWKBNYRGVQOAL-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO CCCCC[NH2+]CC1CNC1 258867369 573676514 /nfs/dbraw/zinc/67/65/14/573676514.db2.gz ZFMJURTZTGMZOI-UHFFFAOYSA-N 1 3 156.273 0.986 10 0 ACAEHO C[C@H]1CCCN1CC1([NH3+])CC1 83836915 573676784 /nfs/dbraw/zinc/67/67/84/573676784.db2.gz BTKPLYNGTJGNJK-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CN1CCC[C@H](N(C)CC2([NH3+])CC2)C1 83837353 573676961 /nfs/dbraw/zinc/67/69/61/573676961.db2.gz WEYPNJKRQZCCDM-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@@H](CNC1CC[NH2+]CC1)OC 308413015 573677226 /nfs/dbraw/zinc/67/72/26/573677226.db2.gz PJOZEQQBHYQAPW-JTQLQIEISA-N 1 3 186.299 0.753 10 0 ACAEHO CC[C@@H](C[NH2+]C1CCNCC1)OC 308413015 573677235 /nfs/dbraw/zinc/67/72/35/573677235.db2.gz PJOZEQQBHYQAPW-JTQLQIEISA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@H]1C[N@H+](CC2(N)CC2)CCCO1 83837385 573677326 /nfs/dbraw/zinc/67/73/26/573677326.db2.gz HZLGLQLQJJPQNY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H]1C[N@@H+](CC2(N)CC2)CCCO1 83837385 573677330 /nfs/dbraw/zinc/67/73/30/573677330.db2.gz HZLGLQLQJJPQNY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO CC[N@H+](CCOC)CC1(N)CC1 83837092 573677392 /nfs/dbraw/zinc/67/73/92/573677392.db2.gz ABMCDOYHIVUKSY-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO CC[N@@H+](CCOC)CC1(N)CC1 83837092 573677399 /nfs/dbraw/zinc/67/73/99/573677399.db2.gz ABMCDOYHIVUKSY-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO CN1CCN(CC2([NH3+])CC2)CC1(C)C 83837479 573677548 /nfs/dbraw/zinc/67/75/48/573677548.db2.gz WRSRPJFMIUHLQH-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H](NCC1=CCOCC1)C1C[NH2+]C1 686248883 573677680 /nfs/dbraw/zinc/67/76/80/573677680.db2.gz SQMIKEOEZQHYGW-VIFPVBQESA-N 1 3 196.294 0.531 10 0 ACAEHO C[C@H]([NH2+]CC1=CCOCC1)C1CNC1 686248883 573677687 /nfs/dbraw/zinc/67/76/87/573677687.db2.gz SQMIKEOEZQHYGW-VIFPVBQESA-N 1 3 196.294 0.531 10 0 ACAEHO CN1CCN/C1=C1/C=CC(=[NH2+])C(N)=C1 308414541 573677770 /nfs/dbraw/zinc/67/77/70/573677770.db2.gz NVXDRDHTLNECBZ-YZQSPKDBSA-N 1 3 190.250 0.165 10 0 ACAEHO C[C@@H]1C[C@H]1NCC1([NH3+])CC1 83837346 573677824 /nfs/dbraw/zinc/67/78/24/573677824.db2.gz ILNANHXKBOVDLI-RNFRBKRXSA-N 1 3 140.230 0.476 10 0 ACAEHO C[C@@H]1C[C@@H]1NCC1([NH3+])CC1 83837342 573677891 /nfs/dbraw/zinc/67/78/91/573677891.db2.gz ILNANHXKBOVDLI-RQJHMYQMSA-N 1 3 140.230 0.476 10 0 ACAEHO COCCCC[N@H+](C)C[C@H](C)CN 130812971 573678028 /nfs/dbraw/zinc/67/80/28/573678028.db2.gz RCAUTRKBSVBRNR-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO COCCCC[N@@H+](C)C[C@H](C)CN 130812971 573678031 /nfs/dbraw/zinc/67/80/31/573678031.db2.gz RCAUTRKBSVBRNR-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO COCCCCN(C)C[C@H](C)C[NH3+] 130812971 573678042 /nfs/dbraw/zinc/67/80/42/573678042.db2.gz RCAUTRKBSVBRNR-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO C[C@H]1C[C@@H]1NCC1([NH3+])CC1 83837344 573678226 /nfs/dbraw/zinc/67/82/26/573678226.db2.gz ILNANHXKBOVDLI-BQBZGAKWSA-N 1 3 140.230 0.476 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CN2CCC1CC2 107977803 573678517 /nfs/dbraw/zinc/67/85/17/573678517.db2.gz FXYFKQVZQMWAQX-VXNVDRBHSA-N 1 3 154.257 0.675 10 0 ACAEHO CC[C@@H]1CN(CC2([NH3+])CC2)CCN1C 83837476 573678387 /nfs/dbraw/zinc/67/83/87/573678387.db2.gz ZRWKBNYRGVQOAL-SNVBAGLBSA-N 1 3 197.326 0.504 10 0 ACAEHO CC1(C)C[C@@H]1NCC1([NH3+])CC1 83837275 573680150 /nfs/dbraw/zinc/68/01/50/573680150.db2.gz ACFCDGRUIWZAOJ-ZETCQYMHSA-N 1 3 154.257 0.866 10 0 ACAEHO CN(C)CCc1nc(CCC[NH3+])co1 258090202 573680029 /nfs/dbraw/zinc/68/00/29/573680029.db2.gz MWFGQFYBFQEJMR-UHFFFAOYSA-N 1 3 197.282 0.670 10 0 ACAEHO CN1[C@H](C[NH3+])C[C@@H]2[C@@H]1C1CCN2CC1 107981412 573680245 /nfs/dbraw/zinc/68/02/45/573680245.db2.gz NUFLUIHTUJGMIA-AXFHLTTASA-N 1 3 195.310 0.112 10 0 ACAEHO C[C@H]1C[C@H]1NCC1([NH3+])CC1 83837348 573680374 /nfs/dbraw/zinc/68/03/74/573680374.db2.gz ILNANHXKBOVDLI-NKWVEPMBSA-N 1 3 140.230 0.476 10 0 ACAEHO CC1(C)C[C@H]1NCC1([NH3+])CC1 83837277 573680514 /nfs/dbraw/zinc/68/05/14/573680514.db2.gz ACFCDGRUIWZAOJ-SSDOTTSWSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H]1CCCN1CC1([NH3+])CC1 83836913 573680596 /nfs/dbraw/zinc/68/05/96/573680596.db2.gz BTKPLYNGTJGNJK-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO CN1CCC([N@H+](C)CC2(N)CC2)CC1 83836634 573681209 /nfs/dbraw/zinc/68/12/09/573681209.db2.gz WGKVQFRJGFACHR-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC([N@@H+](C)CC2(N)CC2)CC1 83836634 573681213 /nfs/dbraw/zinc/68/12/13/573681213.db2.gz WGKVQFRJGFACHR-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO CCCOCCC[NH2+]C1CC(N)C1 130834158 573681240 /nfs/dbraw/zinc/68/12/40/573681240.db2.gz NDTPEXOHCPXYDX-UHFFFAOYSA-N 1 3 186.299 0.882 10 0 ACAEHO CCCOCCCNC1CC([NH3+])C1 130834158 573681244 /nfs/dbraw/zinc/68/12/44/573681244.db2.gz NDTPEXOHCPXYDX-UHFFFAOYSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H]1CCN(CC2([NH3+])CC2)C1 83836990 573681270 /nfs/dbraw/zinc/68/12/70/573681270.db2.gz CJFDLNJGWOCOQM-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CN1CC[C@H](N2CC[NH2+]CC2(C)C)C1 83842368 573682984 /nfs/dbraw/zinc/68/29/84/573682984.db2.gz CZNBANYCGBYFOA-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CC[C@H](N(C)CC[NH2+]C2CC2)C1 258875081 573682986 /nfs/dbraw/zinc/68/29/86/573682986.db2.gz JVYYHVSNAAFSCJ-NSHDSACASA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCCC[C@@H]1[C@@H](C[NH3+])CO 107993581 573683249 /nfs/dbraw/zinc/68/32/49/573683249.db2.gz ZWKRYNBWJDSLCO-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CN2CCC1CC2 107977793 573683257 /nfs/dbraw/zinc/68/32/57/573683257.db2.gz FXYFKQVZQMWAQX-CBAPKCEASA-N 1 3 154.257 0.675 10 0 ACAEHO CN1CCCC[C@H]1[C@@H](C[NH3+])CO 107993584 573683314 /nfs/dbraw/zinc/68/33/14/573683314.db2.gz ZWKRYNBWJDSLCO-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H](C1C[NH2+]C1)N1CC(N(C)C)C1 716100555 573684458 /nfs/dbraw/zinc/68/44/58/573684458.db2.gz BUMOVBFHOYVXGM-NSHDSACASA-N 1 3 197.326 0.230 10 0 ACAEHO CN(C)CCc1ncc(CC[NH3+])o1 258092274 573684683 /nfs/dbraw/zinc/68/46/83/573684683.db2.gz MYTXMERIWYPHRS-UHFFFAOYSA-N 1 3 183.255 0.280 10 0 ACAEHO CN1CC[C@@H](N2CC[NH2+]CC2(C)C)C1 83842367 573684832 /nfs/dbraw/zinc/68/48/32/573684832.db2.gz CZNBANYCGBYFOA-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H](N[C@H]1C[C@H](O)C1(C)C)C1C[NH2+]C1 686254829 573687244 /nfs/dbraw/zinc/68/72/44/573687244.db2.gz RICSAAGBXWHYKR-HGNGGELXSA-N 1 3 198.310 0.343 10 0 ACAEHO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C1CNC1 686254829 573687248 /nfs/dbraw/zinc/68/72/48/573687248.db2.gz RICSAAGBXWHYKR-HGNGGELXSA-N 1 3 198.310 0.343 10 0 ACAEHO C[NH+](C)CC(C)(C)n1cnc(CN)c1 308672726 573687261 /nfs/dbraw/zinc/68/72/61/573687261.db2.gz CBSACSWQMAFPGK-UHFFFAOYSA-N 1 3 196.298 0.639 10 0 ACAEHO Cc1cc(N[C@@H]2CC[NH2+]C2)nc(N)n1 238485473 573688362 /nfs/dbraw/zinc/68/83/62/573688362.db2.gz YFGSLIYYAMLEOL-SSDOTTSWSA-N 1 3 193.254 0.141 10 0 ACAEHO C[NH2+][C@@H](C1CCN(C)CC1)[C@H](C)O 259157984 573688251 /nfs/dbraw/zinc/68/82/51/573688251.db2.gz GDGNOIPXIZVVGY-WCBMZHEXSA-N 1 3 186.299 0.297 10 0 ACAEHO CCn1c(C[NH2+]C(C)C)cnc1N 258094380 573688386 /nfs/dbraw/zinc/68/83/86/573688386.db2.gz IFHKPCOVKWOLKB-UHFFFAOYSA-N 1 3 182.271 0.983 10 0 ACAEHO CCn1c(CNC(C)C)c[nH+]c1N 258094380 573688390 /nfs/dbraw/zinc/68/83/90/573688390.db2.gz IFHKPCOVKWOLKB-UHFFFAOYSA-N 1 3 182.271 0.983 10 0 ACAEHO CC1CC([NH2+][C@@H](C)C2CNC2)C1 686249504 573688801 /nfs/dbraw/zinc/68/88/01/573688801.db2.gz JFDGYAKWSLPSDJ-ZCUBBSJVSA-N 1 3 168.284 0.982 10 0 ACAEHO CC1CC(N[C@@H](C)C2C[NH2+]C2)C1 686249504 573688809 /nfs/dbraw/zinc/68/88/09/573688809.db2.gz JFDGYAKWSLPSDJ-ZCUBBSJVSA-N 1 3 168.284 0.982 10 0 ACAEHO CN1CCC[NH+]=C1N[C@@H]1CCCNC1 258085030 573689015 /nfs/dbraw/zinc/68/90/15/573689015.db2.gz MPUGJHYMWDQBIF-SECBINFHSA-N 1 3 196.298 0.020 10 0 ACAEHO CN(C)CC1(CC(N)=[NH2+])CC1 83855958 573689347 /nfs/dbraw/zinc/68/93/47/573689347.db2.gz YWVPJGSVDFNMSU-UHFFFAOYSA-N 1 3 155.245 0.654 10 0 ACAEHO C[NH2+][C@H](C1CCN(C)CC1)[C@H](C)O 259157987 573689525 /nfs/dbraw/zinc/68/95/25/573689525.db2.gz GDGNOIPXIZVVGY-WPRPVWTQSA-N 1 3 186.299 0.297 10 0 ACAEHO C[C@H](NCC1(O)CCC1)[C@H]1CC[NH2+]C1 400398742 573690086 /nfs/dbraw/zinc/69/00/86/573690086.db2.gz JZWOKSOGKXRLSO-UWVGGRQHSA-N 1 3 198.310 0.489 10 0 ACAEHO CCN(CC)[C@]1(CN)C[C@@H](C)[N@H+](C)C1 126835218 573690312 /nfs/dbraw/zinc/69/03/12/573690312.db2.gz JRKFHWMCFWYGOH-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC)[C@]1(CN)C[C@@H](C)[N@@H+](C)C1 126835218 573690314 /nfs/dbraw/zinc/69/03/14/573690314.db2.gz JRKFHWMCFWYGOH-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C[C@H]2CNCCO2)C1 259163690 573690494 /nfs/dbraw/zinc/69/04/94/573690494.db2.gz OZABUAIAEGLQOW-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@@H](C[C@H]2CNCCO2)C1 259163690 573690497 /nfs/dbraw/zinc/69/04/97/573690497.db2.gz OZABUAIAEGLQOW-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H](NCC1(O)CCC1)[C@@H]1CC[NH2+]C1 400398743 573690391 /nfs/dbraw/zinc/69/03/91/573690391.db2.gz JZWOKSOGKXRLSO-VHSXEESVSA-N 1 3 198.310 0.489 10 0 ACAEHO [NH3+]C1(CNCCc2cccnc2)CC1 259162848 573690396 /nfs/dbraw/zinc/69/03/96/573690396.db2.gz TVCXQWXTOUCYOT-UHFFFAOYSA-N 1 3 191.278 0.705 10 0 ACAEHO C[C@@H]1CCC[C@@](CO)(NCC[NH3+])C1 393588884 573691179 /nfs/dbraw/zinc/69/11/79/573691179.db2.gz IAPJJINWWQJIFU-NXEZZACHSA-N 1 3 186.299 0.476 10 0 ACAEHO CNCc1cncn1[C@H](C)C[NH+](C)C 130728541 573691416 /nfs/dbraw/zinc/69/14/16/573691416.db2.gz OEYXOSYCMHDPCV-SECBINFHSA-N 1 3 196.298 0.725 10 0 ACAEHO CN(CCO)CC1(CC(N)=[NH2+])CC1 83856024 573691499 /nfs/dbraw/zinc/69/14/99/573691499.db2.gz KHGUZWVFEUIKQY-UHFFFAOYSA-N 1 3 185.271 0.017 10 0 ACAEHO C[N@@H+]1CCC[C@H](C[C@H]2CNCCO2)C1 259163684 573691586 /nfs/dbraw/zinc/69/15/86/573691586.db2.gz OZABUAIAEGLQOW-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@H](C[C@H]2CNCCO2)C1 259163684 573691592 /nfs/dbraw/zinc/69/15/92/573691592.db2.gz OZABUAIAEGLQOW-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CC[C@@H]1C[C@@H]1N[C@H](C)C1C[NH2+]C1 686249398 573692494 /nfs/dbraw/zinc/69/24/94/573692494.db2.gz DQPQIZKWEOTOBR-MRTMQBJTSA-N 1 3 168.284 0.982 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CNC1 686249398 573692497 /nfs/dbraw/zinc/69/24/97/573692497.db2.gz DQPQIZKWEOTOBR-MRTMQBJTSA-N 1 3 168.284 0.982 10 0 ACAEHO CC(C)[NH2+]CCN(C)[C@@H]1CCN(C)C1 258883265 573692652 /nfs/dbraw/zinc/69/26/52/573692652.db2.gz KOWJMBRNWNLYDG-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]1CN(C2(C[NH3+])CC2)C[C@H](C)N1C 235638134 573692658 /nfs/dbraw/zinc/69/26/58/573692658.db2.gz TTYJCBSQGUYFDS-UWVGGRQHSA-N 1 3 197.326 0.502 10 0 ACAEHO CN(CC1CCCCC1)C[C@@H](N)C[NH3+] 259163137 573693834 /nfs/dbraw/zinc/69/38/34/573693834.db2.gz VLTDNZYTUUPSHR-NSHDSACASA-N 1 3 199.342 0.785 10 0 ACAEHO [NH3+]CC[C@]1(c2cccc(O)c2)CCN1 258414458 573693869 /nfs/dbraw/zinc/69/38/69/573693869.db2.gz ZSXJLAKLXHCGHX-LLVKDONJSA-N 1 3 192.262 0.930 10 0 ACAEHO CCCCC[N@@H+]1CCN(C)[C@H](CN)C1 259170509 573693888 /nfs/dbraw/zinc/69/38/88/573693888.db2.gz GSNNMZYRSARTOK-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCCCC[N@H+]1CCN(C)[C@H](CN)C1 259170509 573693895 /nfs/dbraw/zinc/69/38/95/573693895.db2.gz GSNNMZYRSARTOK-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[C@@H]1C[C@@H]1N[C@@H](C)C1C[NH2+]C1 686249401 573693978 /nfs/dbraw/zinc/69/39/78/573693978.db2.gz DQPQIZKWEOTOBR-XKSSXDPKSA-N 1 3 168.284 0.982 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C1CNC1 686249401 573693981 /nfs/dbraw/zinc/69/39/81/573693981.db2.gz DQPQIZKWEOTOBR-XKSSXDPKSA-N 1 3 168.284 0.982 10 0 ACAEHO CCN(CC)[C@]1(CN)C[C@H](C)[N@H+](C)C1 126834716 573694148 /nfs/dbraw/zinc/69/41/48/573694148.db2.gz JRKFHWMCFWYGOH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC1C[C@H]2CNC[C@@H](C1)C2[NH3+] 259165645 573694149 /nfs/dbraw/zinc/69/41/49/573694149.db2.gz HOQSSKNITPBYHQ-VGKQMMLZSA-N 1 3 154.257 0.579 10 0 ACAEHO CCN(CC)[C@]1(CN)C[C@H](C)[N@@H+](C)C1 126834716 573694154 /nfs/dbraw/zinc/69/41/54/573694154.db2.gz JRKFHWMCFWYGOH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC1C[C@H]2C[NH2+]C[C@@H](C1)C2N 259165645 573694155 /nfs/dbraw/zinc/69/41/55/573694155.db2.gz HOQSSKNITPBYHQ-VGKQMMLZSA-N 1 3 154.257 0.579 10 0 ACAEHO [NH3+]CC[C@@]1(c2cccc(O)c2)CCN1 258414463 573694284 /nfs/dbraw/zinc/69/42/84/573694284.db2.gz ZSXJLAKLXHCGHX-NSHDSACASA-N 1 3 192.262 0.930 10 0 ACAEHO CC[C@@H]1C[C@H]1N[C@H](C)C1C[NH2+]C1 686249399 573694308 /nfs/dbraw/zinc/69/43/08/573694308.db2.gz DQPQIZKWEOTOBR-NQMVMOMDSA-N 1 3 168.284 0.982 10 0 ACAEHO CC[C@@H]1C[C@H]1[NH2+][C@H](C)C1CNC1 686249399 573694322 /nfs/dbraw/zinc/69/43/22/573694322.db2.gz DQPQIZKWEOTOBR-NQMVMOMDSA-N 1 3 168.284 0.982 10 0 ACAEHO CN(CC1CCCCC1)C[C@H](N)C[NH3+] 259163133 573695196 /nfs/dbraw/zinc/69/51/96/573695196.db2.gz VLTDNZYTUUPSHR-LLVKDONJSA-N 1 3 199.342 0.785 10 0 ACAEHO CCC[C@@H](N)C1C[NH2+]C1 259160259 573695284 /nfs/dbraw/zinc/69/52/84/573695284.db2.gz DMIUBYDLBZSCOK-SSDOTTSWSA-N 1 3 128.219 0.333 10 0 ACAEHO CNCc1cncn1[C@@H](C)C[NH+](C)C 130728344 573695340 /nfs/dbraw/zinc/69/53/40/573695340.db2.gz OEYXOSYCMHDPCV-VIFPVBQESA-N 1 3 196.298 0.725 10 0 ACAEHO C[C@@H]1CCC[C@](CO)(NCC[NH3+])C1 393588891 573695359 /nfs/dbraw/zinc/69/53/59/573695359.db2.gz IAPJJINWWQJIFU-ZJUUUORDSA-N 1 3 186.299 0.476 10 0 ACAEHO C[NH2+]CCCC(=O)[C@@H]1CCN(C)C1 259170404 573695450 /nfs/dbraw/zinc/69/54/50/573695450.db2.gz MJEBHTFULSCWHU-SECBINFHSA-N 1 3 184.283 0.507 10 0 ACAEHO CC(C)[NH2+]CC(=O)[C@@H]1CCN(C)C1 259170439 573695725 /nfs/dbraw/zinc/69/57/25/573695725.db2.gz MJIWSZGEFFNHAY-SECBINFHSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]1CCC[C@](CO)(NCC[NH3+])C1 393588888 573695870 /nfs/dbraw/zinc/69/58/70/573695870.db2.gz IAPJJINWWQJIFU-UWVGGRQHSA-N 1 3 186.299 0.476 10 0 ACAEHO C[NH2+]CCC(=O)[C@@H]1CCN(C)C1 259163851 573695888 /nfs/dbraw/zinc/69/58/88/573695888.db2.gz LWHMZYNQCNSXFF-MRVPVSSYSA-N 1 3 170.256 0.117 10 0 ACAEHO CC(=O)C[NH2+]CCC1CCN(C)CC1 258885765 573695901 /nfs/dbraw/zinc/69/59/01/573695901.db2.gz IOXIFHWFVWYXQF-UHFFFAOYSA-N 1 3 198.310 0.897 10 0 ACAEHO Cc1cc(C[NH3+])c(CN)c(C)n1 238483166 573700726 /nfs/dbraw/zinc/70/07/26/573700726.db2.gz JDDVJUZQCAZCIA-UHFFFAOYSA-N 1 3 165.240 0.616 10 0 ACAEHO CC(C)(CC[NH3+])NC1CC1 258886351 573701433 /nfs/dbraw/zinc/70/14/33/573701433.db2.gz FETGNTABGCRUCC-UHFFFAOYSA-N 1 3 142.246 0.866 10 0 ACAEHO CN[C@]1(C[NH3+])CC(C)(C)OC1(C)C 86927633 573699234 /nfs/dbraw/zinc/69/92/34/573699234.db2.gz DFTXDHROABCSDE-JTQLQIEISA-N 1 3 186.299 0.881 10 0 ACAEHO CN1CC[NH2+][C@H]([C@H](N)C2CCC2)C1 259171754 573699382 /nfs/dbraw/zinc/69/93/82/573699382.db2.gz CIRBYGOQPKTOBX-VHSXEESVSA-N 1 3 183.299 0.017 10 0 ACAEHO CNC(=[NH2+])N1C[C@H]2CCCN2C[C@@H]1C 86932823 573699698 /nfs/dbraw/zinc/69/96/98/573699698.db2.gz PFDXPMSIZLRTIP-DTWKUNHWSA-N 1 3 196.298 0.309 10 0 ACAEHO Cn1nc([C@H]2CCC[NH2+]C2)cc1CN 259171295 573700170 /nfs/dbraw/zinc/70/01/70/573700170.db2.gz JCLILUJVTFUJCU-QMMMGPOBSA-N 1 3 194.282 0.346 10 0 ACAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(N)=[NH2+] 86932825 573700921 /nfs/dbraw/zinc/70/09/21/573700921.db2.gz WSYLKZCPVNNDAQ-HTQZYQBOSA-N 1 3 182.271 0.048 10 0 ACAEHO C[NH2+][C@@H](C1CCOCC1)[C@@H](C)CN 259171732 573700510 /nfs/dbraw/zinc/70/05/10/573700510.db2.gz CIFRMEMPHFEGSK-WCBMZHEXSA-N 1 3 186.299 0.596 10 0 ACAEHO CN1CC[NH2+][C@H]([C@@H](N)C2CCC2)C1 259171752 573701126 /nfs/dbraw/zinc/70/11/26/573701126.db2.gz CIRBYGOQPKTOBX-UWVGGRQHSA-N 1 3 183.299 0.017 10 0 ACAEHO C[C@@H]([NH3+])Cc1cnc(CCN(C)C)o1 258099624 573701282 /nfs/dbraw/zinc/70/12/82/573701282.db2.gz NKYHUBOKIXETGB-MRVPVSSYSA-N 1 3 197.282 0.668 10 0 ACAEHO CC(C)(CCN)[NH2+]C1CC1 258886351 573701427 /nfs/dbraw/zinc/70/14/27/573701427.db2.gz FETGNTABGCRUCC-UHFFFAOYSA-N 1 3 142.246 0.866 10 0 ACAEHO CN[C@@H](C1CCC1)N1CC[NH2+]CC1 259166484 573701445 /nfs/dbraw/zinc/70/14/45/573701445.db2.gz DBZIVBGMARATLB-SNVBAGLBSA-N 1 3 183.299 0.237 10 0 ACAEHO CCN[C@]1(C[NH3+])CS[C@@H](C)C1 86936779 573703494 /nfs/dbraw/zinc/70/34/94/573703494.db2.gz HRUWMDSWGCMJKO-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO CCSCCC[NH2+]C(CN)CN 393552858 573701539 /nfs/dbraw/zinc/70/15/39/573701539.db2.gz FNKFFSPNHBJICO-UHFFFAOYSA-N 1 3 191.344 0.005 10 0 ACAEHO CCCN(C)[C@]1(CN)C[C@H](C)[N@H+](C)C1 126871071 573701572 /nfs/dbraw/zinc/70/15/72/573701572.db2.gz KHBLVMCSCJIJMH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CCCN(C)[C@]1(CN)C[C@H](C)[N@@H+](C)C1 126871071 573701578 /nfs/dbraw/zinc/70/15/78/573701578.db2.gz KHBLVMCSCJIJMH-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])Cc1cnc(CCN(C)C)o1 258099625 573701647 /nfs/dbraw/zinc/70/16/47/573701647.db2.gz NKYHUBOKIXETGB-QMMMGPOBSA-N 1 3 197.282 0.668 10 0 ACAEHO CN[C@H](C)C1=CCC[NH2+]C1 258088757 573701744 /nfs/dbraw/zinc/70/17/44/573701744.db2.gz NHHIYCBZASUBNN-SSDOTTSWSA-N 1 3 140.230 0.514 10 0 ACAEHO C[NH2+][C@H](C)C1=CCCNC1 258088757 573701749 /nfs/dbraw/zinc/70/17/49/573701749.db2.gz NHHIYCBZASUBNN-SSDOTTSWSA-N 1 3 140.230 0.514 10 0 ACAEHO CC1(C)C[C@@H](NCC[NH3+])C(C)(C)O1 86927211 573701840 /nfs/dbraw/zinc/70/18/40/573701840.db2.gz CFNQHDHUQAHQCO-MRVPVSSYSA-N 1 3 186.299 0.881 10 0 ACAEHO CCN1CC[NH+]=C1N[C@H]1CCCNC1 257847921 573701996 /nfs/dbraw/zinc/70/19/96/573701996.db2.gz DGFGHEKFGKBNMM-VIFPVBQESA-N 1 3 196.298 0.020 10 0 ACAEHO CNC(=[NH2+])N1C[C@H]2CCCN2C[C@H]1C 86932822 573702153 /nfs/dbraw/zinc/70/21/53/573702153.db2.gz PFDXPMSIZLRTIP-RKDXNWHRSA-N 1 3 196.298 0.309 10 0 ACAEHO CCN1CC[NH+]=C1N[C@@H]1CCCNC1 257847920 573702244 /nfs/dbraw/zinc/70/22/44/573702244.db2.gz DGFGHEKFGKBNMM-SECBINFHSA-N 1 3 196.298 0.020 10 0 ACAEHO CN[C@@]1(C[NH3+])CS[C@@H](C)C1 86936775 573703134 /nfs/dbraw/zinc/70/31/34/573703134.db2.gz UNMXDHHUJHQKNM-BQBZGAKWSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CCCN)CS1 86935252 573703297 /nfs/dbraw/zinc/70/32/97/573703297.db2.gz UHPHUWTWBUSOAV-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1C[C@H](NCCC[NH3+])CS1 86935252 573703301 /nfs/dbraw/zinc/70/33/01/573703301.db2.gz UHPHUWTWBUSOAV-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1C[C@@H](NCC[NH3+])CS1 86935251 573703367 /nfs/dbraw/zinc/70/33/67/573703367.db2.gz XWZVFGWEJRKVBG-NKWVEPMBSA-N 1 3 160.286 0.429 10 0 ACAEHO CN[C@]1(C[NH3+])CS[C@@H](C)C1 86936777 573703380 /nfs/dbraw/zinc/70/33/80/573703380.db2.gz UNMXDHHUJHQKNM-NKWVEPMBSA-N 1 3 160.286 0.429 10 0 ACAEHO C[NH+](C)CC(C)(C)n1cncc1CN 308690928 573705235 /nfs/dbraw/zinc/70/52/35/573705235.db2.gz ZOLZAQRSTCGEMY-UHFFFAOYSA-N 1 3 196.298 0.639 10 0 ACAEHO CC(C)(N)CC1=[NH+]CCN1 108263848 573704436 /nfs/dbraw/zinc/70/44/36/573704436.db2.gz IUINPZPNLRTEHN-UHFFFAOYSA-N 1 3 141.218 0.116 10 0 ACAEHO C[C@@H]1C[C@](CN)([NH+](C)C)CS1 86936580 573704686 /nfs/dbraw/zinc/70/46/86/573704686.db2.gz OBBPEATWKDTELD-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO CCN[C@@]1(C[NH3+])CS[C@@H](C)C1 86936778 573704865 /nfs/dbraw/zinc/70/48/65/573704865.db2.gz HRUWMDSWGCMJKO-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO CCOCCN1C[C@H]2CC[NH2+]C[C@@H]2C1 308690612 573705592 /nfs/dbraw/zinc/70/55/92/573705592.db2.gz RHJHRWXCJVZMLP-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO CCOCC[N@@H+]1C[C@H]2CCNC[C@@H]2C1 308690612 573705596 /nfs/dbraw/zinc/70/55/96/573705596.db2.gz RHJHRWXCJVZMLP-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO CCOCC[N@H+]1C[C@H]2CCNC[C@@H]2C1 308690612 573705599 /nfs/dbraw/zinc/70/55/99/573705599.db2.gz RHJHRWXCJVZMLP-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO C[C@H]1C[C@@H]([N@H+](C)CCN)CS1 86937579 573705633 /nfs/dbraw/zinc/70/56/33/573705633.db2.gz FBNDDXIOKXAXRV-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@H]1C[C@@H]([N@@H+](C)CCN)CS1 86937579 573705637 /nfs/dbraw/zinc/70/56/37/573705637.db2.gz FBNDDXIOKXAXRV-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@]1(C[NH3+])CCNC[C@@H]1F 238477696 573707990 /nfs/dbraw/zinc/70/79/90/573707990.db2.gz RQNZBDRXQKJZBG-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO Cn1nc([C@@H]2CCC[NH2+]C2)cc1CN 259171292 573707304 /nfs/dbraw/zinc/70/73/04/573707304.db2.gz JCLILUJVTFUJCU-MRVPVSSYSA-N 1 3 194.282 0.346 10 0 ACAEHO C[C@]1(C[NH3+])CCNC[C@H]1F 238477712 573707384 /nfs/dbraw/zinc/70/73/84/573707384.db2.gz RQNZBDRXQKJZBG-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO CCOCCN1C[C@H]2CC[NH2+]C[C@H]2C1 308690613 573707399 /nfs/dbraw/zinc/70/73/99/573707399.db2.gz RHJHRWXCJVZMLP-MNOVXSKESA-N 1 3 198.310 0.564 10 0 ACAEHO CCOCC[N@@H+]1C[C@H]2CCNC[C@H]2C1 308690613 573707402 /nfs/dbraw/zinc/70/74/02/573707402.db2.gz RHJHRWXCJVZMLP-MNOVXSKESA-N 1 3 198.310 0.564 10 0 ACAEHO CCOCC[N@H+]1C[C@H]2CCNC[C@H]2C1 308690613 573707409 /nfs/dbraw/zinc/70/74/09/573707409.db2.gz RHJHRWXCJVZMLP-MNOVXSKESA-N 1 3 198.310 0.564 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]CCCN)CS1 86935255 573707467 /nfs/dbraw/zinc/70/74/67/573707467.db2.gz UHPHUWTWBUSOAV-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1C[C@@H](NCCC[NH3+])CS1 86935255 573707470 /nfs/dbraw/zinc/70/74/70/573707470.db2.gz UHPHUWTWBUSOAV-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CCCN)CS1 86935254 573707637 /nfs/dbraw/zinc/70/76/37/573707637.db2.gz UHPHUWTWBUSOAV-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1C[C@@H](NCCC[NH3+])CS1 86935254 573707641 /nfs/dbraw/zinc/70/76/41/573707641.db2.gz UHPHUWTWBUSOAV-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO Cc1noc(C2CC[NH2+]CC2)c1CN 257850482 573708043 /nfs/dbraw/zinc/70/80/43/573708043.db2.gz OSSRSXPKTWEGTO-UHFFFAOYSA-N 1 3 195.266 0.909 10 0 ACAEHO CNCCC[NH2+]CCCn1ccnc1 308687988 573708260 /nfs/dbraw/zinc/70/82/60/573708260.db2.gz QMCVPTLUKPGNPJ-UHFFFAOYSA-N 1 3 196.298 0.472 10 0 ACAEHO C[NH2+]CCCNCCCn1ccnc1 308687988 573708263 /nfs/dbraw/zinc/70/82/63/573708263.db2.gz QMCVPTLUKPGNPJ-UHFFFAOYSA-N 1 3 196.298 0.472 10 0 ACAEHO CN[C@]1(C[NH3+])CCCS[C@@H]1C 86946230 573708390 /nfs/dbraw/zinc/70/83/90/573708390.db2.gz KUGDSIYGDNFOCK-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO NCC1(C[NH2+]CC2CCOCC2)CC1 258888482 573708600 /nfs/dbraw/zinc/70/86/00/573708600.db2.gz JSRKKPMDRCCAGP-UHFFFAOYSA-N 1 3 198.310 0.742 10 0 ACAEHO C[C@H]([NH2+]CCC1CC1)C1CNC1 686249732 573708877 /nfs/dbraw/zinc/70/88/77/573708877.db2.gz LNAXJUQFLZVNGC-QMMMGPOBSA-N 1 3 168.284 0.984 10 0 ACAEHO CN[C@@]1(C[NH3+])CCCS[C@H]1C 86946228 573709420 /nfs/dbraw/zinc/70/94/20/573709420.db2.gz KUGDSIYGDNFOCK-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO CCOCCN1C[C@@H]2C[NH2+]CC[C@H]2C1 308690614 573709564 /nfs/dbraw/zinc/70/95/64/573709564.db2.gz RHJHRWXCJVZMLP-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO CCOCC[N@H+]1C[C@@H]2CNCC[C@H]2C1 308690614 573709567 /nfs/dbraw/zinc/70/95/67/573709567.db2.gz RHJHRWXCJVZMLP-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO CCOCC[N@@H+]1C[C@@H]2CNCC[C@H]2C1 308690614 573709577 /nfs/dbraw/zinc/70/95/77/573709577.db2.gz RHJHRWXCJVZMLP-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO C[C@H](O)[C@H]([NH3+])c1ccc(CN)c(F)c1 238490909 573709670 /nfs/dbraw/zinc/70/96/70/573709670.db2.gz DWVSCYWGQNJFKI-WKEGUHRASA-N 1 3 198.241 0.665 10 0 ACAEHO C[C@@H]1SCCC[C@@]1(N)C[NH3+] 86946125 573710218 /nfs/dbraw/zinc/71/02/18/573710218.db2.gz ISZIXGOQVNYXNR-NKWVEPMBSA-N 1 3 160.286 0.558 10 0 ACAEHO C[C@@H]1SCCC[C@@H]1NCC[NH3+] 86943856 573710511 /nfs/dbraw/zinc/71/05/11/573710511.db2.gz GNEDVQASANPQKF-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1SCCC[C@@]1(N)C[NH3+] 86946122 573712402 /nfs/dbraw/zinc/71/24/02/573712402.db2.gz ISZIXGOQVNYXNR-RNFRBKRXSA-N 1 3 160.286 0.558 10 0 ACAEHO CN[C@@]1(C[NH3+])CCCS[C@@H]1C 86946225 573712442 /nfs/dbraw/zinc/71/24/42/573712442.db2.gz KUGDSIYGDNFOCK-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1SCCC[C@@H]1NCC[NH3+] 86943853 573712634 /nfs/dbraw/zinc/71/26/34/573712634.db2.gz GNEDVQASANPQKF-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1SCCC[C@]1(N)C[NH3+] 86946127 573712669 /nfs/dbraw/zinc/71/26/69/573712669.db2.gz ISZIXGOQVNYXNR-RQJHMYQMSA-N 1 3 160.286 0.558 10 0 ACAEHO CC(C)[NH2+]C[C@H](O)CCN1CCC1 393554635 573712776 /nfs/dbraw/zinc/71/27/76/573712776.db2.gz ZXWQTMRKZJRFFA-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO NC[C@@H](C[NH2+]C1CC1)C1CCOCC1 258096426 573712882 /nfs/dbraw/zinc/71/28/82/573712882.db2.gz KANQHVGTSCWPCT-JTQLQIEISA-N 1 3 198.310 0.740 10 0 ACAEHO [NH3+]C[C@@H](CNC1CC1)C1CCOCC1 258096426 573712883 /nfs/dbraw/zinc/71/28/83/573712883.db2.gz KANQHVGTSCWPCT-JTQLQIEISA-N 1 3 198.310 0.740 10 0 ACAEHO C[C@H]([NH3+])CCN1CCC1 108280281 573712901 /nfs/dbraw/zinc/71/29/01/573712901.db2.gz OHZSTJMOROQXKT-ZETCQYMHSA-N 1 3 128.219 0.429 10 0 ACAEHO CN1CCC[C@@H]1NCC1CC[NH2+]CC1 257855003 573717414 /nfs/dbraw/zinc/71/74/14/573717414.db2.gz PSSFAIKACVLEEC-LLVKDONJSA-N 1 3 197.326 0.627 10 0 ACAEHO [NH3+]CCOCCNCc1ccoc1 130802401 573715980 /nfs/dbraw/zinc/71/59/80/573715980.db2.gz WAABKEQREOOQMV-UHFFFAOYSA-N 1 3 184.239 0.345 10 0 ACAEHO C[C@@]1(C[NH3+])CCNC[C@@H]1F 238492319 573716171 /nfs/dbraw/zinc/71/61/71/573716171.db2.gz RQNZBDRXQKJZBG-BQBZGAKWSA-N 1 3 146.209 0.283 10 0 ACAEHO C[NH2+]Cc1ccnn1[C@@H]1CCN(C)C1 257855043 573716299 /nfs/dbraw/zinc/71/62/99/573716299.db2.gz PTUASMUCSSCSKQ-SNVBAGLBSA-N 1 3 194.282 0.479 10 0 ACAEHO C[C@H](C[NH3+])CC(=O)C1CCN(C)CC1 259172896 573716301 /nfs/dbraw/zinc/71/63/01/573716301.db2.gz MNXLWDJMIZFCIT-VIFPVBQESA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@H](C1CNC1)[NH+]1CCC1 716118381 573716369 /nfs/dbraw/zinc/71/63/69/573716369.db2.gz ALGPETFJPAVMFI-SECBINFHSA-N 1 3 154.257 0.690 10 0 ACAEHO C[NH2+]Cc1ccnn1[C@H]1CCN(C)C1 257855041 573716391 /nfs/dbraw/zinc/71/63/91/573716391.db2.gz PTUASMUCSSCSKQ-JTQLQIEISA-N 1 3 194.282 0.479 10 0 ACAEHO C[C@@H](C[NH3+])CC(=O)C1CCN(C)CC1 259172892 573716498 /nfs/dbraw/zinc/71/64/98/573716498.db2.gz MNXLWDJMIZFCIT-SECBINFHSA-N 1 3 198.310 0.882 10 0 ACAEHO CN1CCC[C@H]1NCC1CC[NH2+]CC1 257855004 573717139 /nfs/dbraw/zinc/71/71/39/573717139.db2.gz PSSFAIKACVLEEC-NSHDSACASA-N 1 3 197.326 0.627 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCC2)C1 108281037 573717626 /nfs/dbraw/zinc/71/76/26/573717626.db2.gz RXBSFSVINGNCTM-HTQZYQBOSA-N 1 3 140.230 0.572 10 0 ACAEHO C[NH2+][C@H](C)C1=CCN(C)CC1 258097738 573717638 /nfs/dbraw/zinc/71/76/38/573717638.db2.gz NTHXKPUSLQVHMC-MRVPVSSYSA-N 1 3 154.257 0.856 10 0 ACAEHO C[NH2+]CC(C)(C)NCCN(C)C 258889861 573717674 /nfs/dbraw/zinc/71/76/74/573717674.db2.gz FLBDTMCSVKCHRA-UHFFFAOYSA-N 1 3 173.304 0.136 10 0 ACAEHO CC[C@@H](C1CNC1)[NH+]1CCC1 716118384 573717994 /nfs/dbraw/zinc/71/79/94/573717994.db2.gz ALGPETFJPAVMFI-VIFPVBQESA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1OCC[C@@H]1[N@@H+]1CCCNCC1 122296783 573718036 /nfs/dbraw/zinc/71/80/36/573718036.db2.gz IGAHFWFYJBEMSX-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]1OCC[C@@H]1[N@H+]1CCCNCC1 122296783 573718040 /nfs/dbraw/zinc/71/80/40/573718040.db2.gz IGAHFWFYJBEMSX-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CCC2)C1 108281040 573718268 /nfs/dbraw/zinc/71/82/68/573718268.db2.gz RXBSFSVINGNCTM-SFYZADRCSA-N 1 3 140.230 0.572 10 0 ACAEHO C[NH2+][C@@H](C)C1=CCN(C)CC1 258097739 573718309 /nfs/dbraw/zinc/71/83/09/573718309.db2.gz NTHXKPUSLQVHMC-QMMMGPOBSA-N 1 3 154.257 0.856 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@H+]1CCCNCC1 122296562 573718579 /nfs/dbraw/zinc/71/85/79/573718579.db2.gz IGAHFWFYJBEMSX-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@@H+]1CCCNCC1 122296562 573718571 /nfs/dbraw/zinc/71/85/71/573718571.db2.gz IGAHFWFYJBEMSX-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO CN1CC[C@H](c2coc(CC[NH3+])n2)C1 258097329 573718647 /nfs/dbraw/zinc/71/86/47/573718647.db2.gz NRLKASNQDHFLSJ-QMMMGPOBSA-N 1 3 195.266 0.595 10 0 ACAEHO COCC1(NC[C@H](C)C[NH3+])CCC1 393555630 573718678 /nfs/dbraw/zinc/71/86/78/573718678.db2.gz LKQWPVJFIKEETJ-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO COCC1([NH2+]C[C@H](C)CN)CCC1 393555630 573718679 /nfs/dbraw/zinc/71/86/79/573718679.db2.gz LKQWPVJFIKEETJ-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO CN1CC[C@@H](c2coc(CC[NH3+])n2)C1 258097326 573718733 /nfs/dbraw/zinc/71/87/33/573718733.db2.gz NRLKASNQDHFLSJ-MRVPVSSYSA-N 1 3 195.266 0.595 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N2CCC2)C1 108282881 573719697 /nfs/dbraw/zinc/71/96/97/573719697.db2.gz JGCAYHGXJHAICT-BDAKNGLRSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@@H+]1CCCNCC1 122296963 573719907 /nfs/dbraw/zinc/71/99/07/573719907.db2.gz IGAHFWFYJBEMSX-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@H+]1CCCNCC1 122296963 573719914 /nfs/dbraw/zinc/71/99/14/573719914.db2.gz IGAHFWFYJBEMSX-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](N2CCC2)C1 108282875 573720734 /nfs/dbraw/zinc/72/07/34/573720734.db2.gz JGCAYHGXJHAICT-RKDXNWHRSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](N2CCC2)C1 108282878 573720267 /nfs/dbraw/zinc/72/02/67/573720267.db2.gz JGCAYHGXJHAICT-IUCAKERBSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1N1CCC1 108282935 573722559 /nfs/dbraw/zinc/72/25/59/573722559.db2.gz OAAKCDHSHAQFBB-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]1C[C@@H](C)N(CCNC(N)=[NH2+])C1 238495322 573721800 /nfs/dbraw/zinc/72/18/00/573721800.db2.gz YIIQOMFNLPCRBU-JGVFFNPUSA-N 1 3 184.287 0.200 10 0 ACAEHO C[C@@H](CCN(C)C)[NH2+]CCN1CCC1 308681469 573722340 /nfs/dbraw/zinc/72/23/40/573722340.db2.gz XRRXKJHKZOZTCW-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H](CC[NH+](C)C)NCCN1CCC1 308681469 573722348 /nfs/dbraw/zinc/72/23/48/573722348.db2.gz XRRXKJHKZOZTCW-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+]C[C@@H]1CCC[C@@H]1N(C)C 108283803 573722390 /nfs/dbraw/zinc/72/23/90/573722390.db2.gz BBPLDYUQQRHYIU-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH+]1CCC1 108282935 573722565 /nfs/dbraw/zinc/72/25/65/573722565.db2.gz OAAKCDHSHAQFBB-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO C[NH2+]C[C@H]1CCC[C@H]1N(C)C 108283812 573723079 /nfs/dbraw/zinc/72/30/79/573723079.db2.gz BBPLDYUQQRHYIU-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H](CCN(C)C)[NH2+]CCN1CCC1 308681466 573724713 /nfs/dbraw/zinc/72/47/13/573724713.db2.gz XRRXKJHKZOZTCW-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CC1CN(CC(C)(C)C[NH3+])C1 108283836 573724434 /nfs/dbraw/zinc/72/44/34/573724434.db2.gz IRTLQXZHQNZAGJ-UHFFFAOYSA-N 1 3 156.273 0.923 10 0 ACAEHO CC1C[NH+](CC(C)(C)CN)C1 108283836 573724436 /nfs/dbraw/zinc/72/44/36/573724436.db2.gz IRTLQXZHQNZAGJ-UHFFFAOYSA-N 1 3 156.273 0.923 10 0 ACAEHO CC1CN([C@@H]2CC[C@H]([NH3+])C2)C1 108282905 573724680 /nfs/dbraw/zinc/72/46/80/573724680.db2.gz STRPZFTUJYIJPQ-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](CC[NH+](C)C)NCCN1CCC1 308681466 573724719 /nfs/dbraw/zinc/72/47/19/573724719.db2.gz XRRXKJHKZOZTCW-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[NH+]1CCC1 108282917 573725811 /nfs/dbraw/zinc/72/58/11/573725811.db2.gz DQXYPYVWWCRBHO-RKDXNWHRSA-N 1 3 154.257 0.962 10 0 ACAEHO CCC1=[NH+][C@H]2CCNC[C@H]2N1 258107918 573725978 /nfs/dbraw/zinc/72/59/78/573725978.db2.gz VLKBHJHWJJQFRB-NKWVEPMBSA-N 1 3 153.229 0.129 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[NH+]1CCC1 108282914 573726220 /nfs/dbraw/zinc/72/62/20/573726220.db2.gz DQXYPYVWWCRBHO-BDAKNGLRSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CCC1 108282941 573726253 /nfs/dbraw/zinc/72/62/53/573726253.db2.gz OAAKCDHSHAQFBB-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CCC1 108282941 573726256 /nfs/dbraw/zinc/72/62/56/573726256.db2.gz OAAKCDHSHAQFBB-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCCO 126941008 573726273 /nfs/dbraw/zinc/72/62/73/573726273.db2.gz GZVBKHBFRSUWOV-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCCO 126941008 573726277 /nfs/dbraw/zinc/72/62/77/573726277.db2.gz GZVBKHBFRSUWOV-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1C[N@H+](C)CC[C@H]1NC/C=C\CO 717547183 573726302 /nfs/dbraw/zinc/72/63/02/573726302.db2.gz JYNONXUPPUVQET-ANDSXOESSA-N 1 3 198.310 0.465 10 0 ACAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC/C=C\CO 717547183 573726307 /nfs/dbraw/zinc/72/63/07/573726307.db2.gz JYNONXUPPUVQET-ANDSXOESSA-N 1 3 198.310 0.465 10 0 ACAEHO N[C@H]1CCCC[C@@H]1[NH+]1CCC1 108282921 573726327 /nfs/dbraw/zinc/72/63/27/573726327.db2.gz DQXYPYVWWCRBHO-IUCAKERBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCCO 126940506 573726455 /nfs/dbraw/zinc/72/64/55/573726455.db2.gz GZVBKHBFRSUWOV-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@H+]1CCCCO 126940506 573726462 /nfs/dbraw/zinc/72/64/62/573726462.db2.gz GZVBKHBFRSUWOV-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC1=[NH+][C@@H]2CCNC[C@H]2N1 258107921 573727664 /nfs/dbraw/zinc/72/76/64/573727664.db2.gz VLKBHJHWJJQFRB-RNFRBKRXSA-N 1 3 153.229 0.129 10 0 ACAEHO C[NH2+]C[C@H]1CCC[C@@H]1N(C)C 108283806 573726535 /nfs/dbraw/zinc/72/65/35/573726535.db2.gz BBPLDYUQQRHYIU-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCCO 126940761 573726679 /nfs/dbraw/zinc/72/66/79/573726679.db2.gz GZVBKHBFRSUWOV-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCCO 126940761 573726685 /nfs/dbraw/zinc/72/66/85/573726685.db2.gz GZVBKHBFRSUWOV-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO COC[C@H](C)[C@H](C)N1CC[C@@H]([NH3+])C1 393556563 573726896 /nfs/dbraw/zinc/72/68/96/573726896.db2.gz OYZUHZZARAKUOR-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@H]([NH3+])Cc1noc(CCN(C)C)n1 258106118 573727416 /nfs/dbraw/zinc/72/74/16/573727416.db2.gz SKXIJUOQDHAWTK-ZETCQYMHSA-N 1 3 198.270 0.063 10 0 ACAEHO COC[C@H](C)[C@@H](C)N1CC[C@H]([NH3+])C1 393556559 573728699 /nfs/dbraw/zinc/72/86/99/573728699.db2.gz OYZUHZZARAKUOR-AEJSXWLSSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)[C@@H](C)N1CC[C@@H]([NH3+])C1 393556562 573728918 /nfs/dbraw/zinc/72/89/18/573728918.db2.gz OYZUHZZARAKUOR-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO CN1CCN(CC/C=C\C[NH3+])CC1 258107927 573729040 /nfs/dbraw/zinc/72/90/40/573729040.db2.gz YPOLUVMDKIFABA-IHWYPQMZSA-N 1 3 183.299 0.139 10 0 ACAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC/C=C\CO 717547187 573729286 /nfs/dbraw/zinc/72/92/86/573729286.db2.gz JYNONXUPPUVQET-CJOPTALJSA-N 1 3 198.310 0.465 10 0 ACAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC/C=C\CO 717547187 573729294 /nfs/dbraw/zinc/72/92/94/573729294.db2.gz JYNONXUPPUVQET-CJOPTALJSA-N 1 3 198.310 0.465 10 0 ACAEHO CCC1=[NH+][C@H]2CCNC[C@@H]2N1 258107913 573729433 /nfs/dbraw/zinc/72/94/33/573729433.db2.gz VLKBHJHWJJQFRB-BQBZGAKWSA-N 1 3 153.229 0.129 10 0 ACAEHO C[C@@H]1C[N@H+](C)CC[C@H]1NC/C=C/CO 717547192 573729486 /nfs/dbraw/zinc/72/94/86/573729486.db2.gz JYNONXUPPUVQET-YIZUVKHSSA-N 1 3 198.310 0.465 10 0 ACAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC/C=C/CO 717547192 573729498 /nfs/dbraw/zinc/72/94/98/573729498.db2.gz JYNONXUPPUVQET-YIZUVKHSSA-N 1 3 198.310 0.465 10 0 ACAEHO COCCCCN(C)CCC(N)=[NH2+] 130914240 573729661 /nfs/dbraw/zinc/72/96/61/573729661.db2.gz NFAZZAXZVXYODH-UHFFFAOYSA-N 1 3 187.287 0.671 10 0 ACAEHO C[C@@H](O)CC[N@@H+]1CCCNCC1 108290149 573732701 /nfs/dbraw/zinc/73/27/01/573732701.db2.gz OXHMCHDHJANUFV-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@@H](O)CC[N@H+]1CCCNCC1 108290149 573732706 /nfs/dbraw/zinc/73/27/06/573732706.db2.gz OXHMCHDHJANUFV-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@@H]([NH3+])c1cnn([C@H]2CCN(C)C2)c1 257851922 573732727 /nfs/dbraw/zinc/73/27/27/573732727.db2.gz PEZZDDUNQOUTHN-SCZZXKLOSA-N 1 3 194.282 0.779 10 0 ACAEHO CCC[C@](N)(CC)C[NH3+] 144776128 573733314 /nfs/dbraw/zinc/73/33/14/573733314.db2.gz HWNQPFFOPXRWGZ-SSDOTTSWSA-N 1 3 130.235 0.853 10 0 ACAEHO CC(C)[C@H]1CNC[C@@H](C)NCC[NH2+]1 223427970 573733768 /nfs/dbraw/zinc/73/37/68/573733768.db2.gz UEVCEPSTYGZGBM-NXEZZACHSA-N 1 3 185.315 0.182 10 0 ACAEHO CC(C)[C@H]1C[NH2+]C[C@@H](C)NCCN1 223427970 573733772 /nfs/dbraw/zinc/73/37/72/573733772.db2.gz UEVCEPSTYGZGBM-NXEZZACHSA-N 1 3 185.315 0.182 10 0 ACAEHO CC[C@@H](CN)[C@H]([NH3+])C(C)C 259563233 573733848 /nfs/dbraw/zinc/73/38/48/573733848.db2.gz VFBMXJCWMDULFC-JGVFFNPUSA-N 1 3 144.262 0.955 10 0 ACAEHO CC[N@@H+]1CC[C@@H](n2nccc2CN)C1 257853438 573734345 /nfs/dbraw/zinc/73/43/45/573734345.db2.gz PMSYVBXCYCEQKG-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO CC[N@H+]1CC[C@@H](n2nccc2CN)C1 257853438 573734349 /nfs/dbraw/zinc/73/43/49/573734349.db2.gz PMSYVBXCYCEQKG-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO CC(C)([NH3+])CNCCc1ccc[nH]1 258894593 573734389 /nfs/dbraw/zinc/73/43/89/573734389.db2.gz RKHYPADFSTZOHP-UHFFFAOYSA-N 1 3 181.283 0.884 10 0 ACAEHO NC[C@@]1(F)CC[NH+]2CCC1CC2 108290066 573734417 /nfs/dbraw/zinc/73/44/17/573734417.db2.gz WFDDBIFXNFBIQS-VIFPVBQESA-N 1 3 172.247 0.769 10 0 ACAEHO CC[C@@H](CN)[C@@H]([NH3+])C(C)C 259563235 573734590 /nfs/dbraw/zinc/73/45/90/573734590.db2.gz VFBMXJCWMDULFC-YUMQZZPRSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@H](O)CC[N@@H+]1CCCNCC1 108290146 573734859 /nfs/dbraw/zinc/73/48/59/573734859.db2.gz OXHMCHDHJANUFV-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H](O)CC[N@H+]1CCCNCC1 108290146 573734862 /nfs/dbraw/zinc/73/48/62/573734862.db2.gz OXHMCHDHJANUFV-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC[C@H](CN)[C@H]([NH3+])C(C)C 259563231 573735732 /nfs/dbraw/zinc/73/57/32/573735732.db2.gz VFBMXJCWMDULFC-HTQZYQBOSA-N 1 3 144.262 0.955 10 0 ACAEHO CC[C@H](CN)[C@@H]([NH3+])C(C)C 259563234 573735784 /nfs/dbraw/zinc/73/57/84/573735784.db2.gz VFBMXJCWMDULFC-SFYZADRCSA-N 1 3 144.262 0.955 10 0 ACAEHO CC(C)C1=[NH+][C@@H]2CCNC[C@H]2N1 258114753 573735861 /nfs/dbraw/zinc/73/58/61/573735861.db2.gz VVSIWCAQCRSKGO-HTQZYQBOSA-N 1 3 167.256 0.375 10 0 ACAEHO C[C@H](N)c1coc([C@H]2CC[NH2+]C2)n1 258113341 573736862 /nfs/dbraw/zinc/73/68/62/573736862.db2.gz OHCLOCFPCJJZOY-BQBZGAKWSA-N 1 3 181.239 0.771 10 0 ACAEHO CC(C)C1=[NH+][C@@H]2CCNC[C@@H]2N1 258114760 573736914 /nfs/dbraw/zinc/73/69/14/573736914.db2.gz VVSIWCAQCRSKGO-SFYZADRCSA-N 1 3 167.256 0.375 10 0 ACAEHO CC[C@@H](C1C[NH2+]C1)N1CC[C@@H](CO)C1 716144991 573737227 /nfs/dbraw/zinc/73/72/27/573737227.db2.gz OMFJLWUFXNIMBH-KOLCDFICSA-N 1 3 198.310 0.299 10 0 ACAEHO CCOCCN[C@@H](CC)C1C[NH2+]C1 716144251 573737201 /nfs/dbraw/zinc/73/72/01/573737201.db2.gz LQDSXPGNBAXFNG-JTQLQIEISA-N 1 3 186.299 0.611 10 0 ACAEHO CCOCC[NH2+][C@@H](CC)C1CNC1 716144251 573737205 /nfs/dbraw/zinc/73/72/05/573737205.db2.gz LQDSXPGNBAXFNG-JTQLQIEISA-N 1 3 186.299 0.611 10 0 ACAEHO CC[C@@H](C1CNC1)[N@@H+]1CC[C@@H](CO)C1 716144991 573737222 /nfs/dbraw/zinc/73/72/22/573737222.db2.gz OMFJLWUFXNIMBH-KOLCDFICSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](C1CNC1)[N@H+]1CC[C@@H](CO)C1 716144991 573737223 /nfs/dbraw/zinc/73/72/23/573737223.db2.gz OMFJLWUFXNIMBH-KOLCDFICSA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 715006852 573737238 /nfs/dbraw/zinc/73/72/38/573737238.db2.gz LBURTEIUYLNHOK-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@@H]2CNCC[C@H]21 715006852 573737241 /nfs/dbraw/zinc/73/72/41/573737241.db2.gz LBURTEIUYLNHOK-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@@H]2CNCC[C@H]21 715006852 573737244 /nfs/dbraw/zinc/73/72/44/573737244.db2.gz LBURTEIUYLNHOK-HBNTYKKESA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]([NH3+])Cc1coc(CCN(C)C)n1 258113258 573737279 /nfs/dbraw/zinc/73/72/79/573737279.db2.gz OGISTGQDOGMXGP-MRVPVSSYSA-N 1 3 197.282 0.668 10 0 ACAEHO CC(C)C1=[NH+][C@H]2CCNC[C@H]2N1 258114756 573737300 /nfs/dbraw/zinc/73/73/00/573737300.db2.gz VVSIWCAQCRSKGO-JGVFFNPUSA-N 1 3 167.256 0.375 10 0 ACAEHO CCn1c(C[NH2+]C2CC2)cnc1N 258113915 573737340 /nfs/dbraw/zinc/73/73/40/573737340.db2.gz JFSFROXDIBSRLM-UHFFFAOYSA-N 1 3 180.255 0.737 10 0 ACAEHO C[C@H](N)c1coc([C@@H]2CC[NH2+]C2)n1 258113344 573737356 /nfs/dbraw/zinc/73/73/56/573737356.db2.gz OHCLOCFPCJJZOY-NKWVEPMBSA-N 1 3 181.239 0.771 10 0 ACAEHO CCOCCN[C@H](CC)C1C[NH2+]C1 716144253 573737424 /nfs/dbraw/zinc/73/74/24/573737424.db2.gz LQDSXPGNBAXFNG-SNVBAGLBSA-N 1 3 186.299 0.611 10 0 ACAEHO CCOCC[NH2+][C@H](CC)C1CNC1 716144253 573737431 /nfs/dbraw/zinc/73/74/31/573737431.db2.gz LQDSXPGNBAXFNG-SNVBAGLBSA-N 1 3 186.299 0.611 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)C[C@H](C)OC 393559713 573737783 /nfs/dbraw/zinc/73/77/83/573737783.db2.gz YCCXYYOLROCMBJ-VHSXEESVSA-N 1 3 188.315 0.938 10 0 ACAEHO CO[C@H](CN)C[N@H+](C)CCCF 716773645 573737601 /nfs/dbraw/zinc/73/76/01/573737601.db2.gz VRHXUENHPVKCOY-MRVPVSSYSA-N 1 3 178.251 0.252 10 0 ACAEHO C[C@@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 715006894 573737602 /nfs/dbraw/zinc/73/76/02/573737602.db2.gz LBURTEIUYLNHOK-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO CO[C@H](CN)C[N@@H+](C)CCCF 716773645 573737605 /nfs/dbraw/zinc/73/76/05/573737605.db2.gz VRHXUENHPVKCOY-MRVPVSSYSA-N 1 3 178.251 0.252 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCC[C@H]2CNCC[C@@H]21 715006894 573737609 /nfs/dbraw/zinc/73/76/09/573737609.db2.gz LBURTEIUYLNHOK-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCC[C@H]2CNCC[C@@H]21 715006894 573737614 /nfs/dbraw/zinc/73/76/14/573737614.db2.gz LBURTEIUYLNHOK-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH2+]CC1([C@@H](C)N)CCC1 259174416 573737727 /nfs/dbraw/zinc/73/77/27/573737727.db2.gz CMMUHWBUAWSSKL-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]([NH2+]CC1CCC1)C1CNC1 686250214 573737729 /nfs/dbraw/zinc/73/77/29/573737729.db2.gz XYBQXAMSXLNRFR-MRVPVSSYSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)C[C@@H](C)OC 393559710 573737813 /nfs/dbraw/zinc/73/78/13/573737813.db2.gz YCCXYYOLROCMBJ-NXEZZACHSA-N 1 3 188.315 0.938 10 0 ACAEHO CC[N@@H+]1CC[C@H](n2nccc2CN)C1 257853434 573737862 /nfs/dbraw/zinc/73/78/62/573737862.db2.gz PMSYVBXCYCEQKG-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO CC[N@H+]1CC[C@H](n2nccc2CN)C1 257853434 573737866 /nfs/dbraw/zinc/73/78/66/573737866.db2.gz PMSYVBXCYCEQKG-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO C[NH2+]CC1([C@H](C)N)CCC1 259174422 573740939 /nfs/dbraw/zinc/74/09/39/573740939.db2.gz CMMUHWBUAWSSKL-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCO 126914542 573740983 /nfs/dbraw/zinc/74/09/83/573740983.db2.gz URPPKUJQZMVPLD-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCO 126914542 573740987 /nfs/dbraw/zinc/74/09/87/573740987.db2.gz URPPKUJQZMVPLD-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO O[C@@H]1CC[NH2+]C[C@H]1CN1CCCCC1 257858930 573739894 /nfs/dbraw/zinc/73/98/94/573739894.db2.gz OHGLZZCWRAFREY-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCO 126915006 573739969 /nfs/dbraw/zinc/73/99/69/573739969.db2.gz URPPKUJQZMVPLD-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCO 126915006 573739975 /nfs/dbraw/zinc/73/99/75/573739975.db2.gz URPPKUJQZMVPLD-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@H](C1CNC1)[N@@H+]1CC[C@@H](CO)C1 716144993 573740177 /nfs/dbraw/zinc/74/01/77/573740177.db2.gz OMFJLWUFXNIMBH-MWLCHTKSSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@H](C1CNC1)[N@H+]1CC[C@@H](CO)C1 716144993 573740183 /nfs/dbraw/zinc/74/01/83/573740183.db2.gz OMFJLWUFXNIMBH-MWLCHTKSSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@H](C1C[NH2+]C1)N1CC[C@@H](CO)C1 716144993 573740186 /nfs/dbraw/zinc/74/01/86/573740186.db2.gz OMFJLWUFXNIMBH-MWLCHTKSSA-N 1 3 198.310 0.299 10 0 ACAEHO NCc1cc(CC[NH+]2CCCC2)n[nH]1 258420379 573740303 /nfs/dbraw/zinc/74/03/03/573740303.db2.gz DTHFEDQTEMORSY-UHFFFAOYSA-N 1 3 194.282 0.507 10 0 ACAEHO CC[C@@H]([NH3+])C[C@H]1CN(C)CCN1 259619837 573740343 /nfs/dbraw/zinc/74/03/43/573740343.db2.gz XWCNPEJFIFDNKW-BDAKNGLRSA-N 1 3 171.288 0.017 10 0 ACAEHO C[NH2+]CCc1coc(CCN(C)C)n1 258115443 573740428 /nfs/dbraw/zinc/74/04/28/573740428.db2.gz OHZMLHYRUUDAJM-UHFFFAOYSA-N 1 3 197.282 0.541 10 0 ACAEHO O[C@H]1CC[NH2+]C[C@H]1CN1CCCCC1 257858929 573740830 /nfs/dbraw/zinc/74/08/30/573740830.db2.gz OHGLZZCWRAFREY-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO CC[C@H]([NH3+])C[C@H]1CN(C)CCN1 259619845 573741373 /nfs/dbraw/zinc/74/13/73/573741373.db2.gz XWCNPEJFIFDNKW-IUCAKERBSA-N 1 3 171.288 0.017 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCO 126914784 573741531 /nfs/dbraw/zinc/74/15/31/573741531.db2.gz URPPKUJQZMVPLD-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@H+]1CCCO 126914784 573741537 /nfs/dbraw/zinc/74/15/37/573741537.db2.gz URPPKUJQZMVPLD-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO N[C@@H](C1CCCC1)C1C[NH2+]C1 259174128 573741618 /nfs/dbraw/zinc/74/16/18/573741618.db2.gz FAXQAEKTAUJMHF-VIFPVBQESA-N 1 3 154.257 0.723 10 0 ACAEHO N[C@H](C1CCCC1)C1C[NH2+]C1 259174126 573741921 /nfs/dbraw/zinc/74/19/21/573741921.db2.gz FAXQAEKTAUJMHF-SECBINFHSA-N 1 3 154.257 0.723 10 0 ACAEHO CC[C@H](C1CNC1)[N@@H+]1CC[C@H](CO)C1 716144988 573741982 /nfs/dbraw/zinc/74/19/82/573741982.db2.gz OMFJLWUFXNIMBH-GXSJLCMTSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@H](C1CNC1)[N@H+]1CC[C@H](CO)C1 716144988 573741988 /nfs/dbraw/zinc/74/19/88/573741988.db2.gz OMFJLWUFXNIMBH-GXSJLCMTSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@H](C1C[NH2+]C1)N1CC[C@H](CO)C1 716144988 573741990 /nfs/dbraw/zinc/74/19/90/573741990.db2.gz OMFJLWUFXNIMBH-GXSJLCMTSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H]([NH3+])C[C@@H]1CN(C)CCN1 259619849 573742009 /nfs/dbraw/zinc/74/20/09/573742009.db2.gz XWCNPEJFIFDNKW-RKDXNWHRSA-N 1 3 171.288 0.017 10 0 ACAEHO CC[C@H]([NH2+]C)[C@H](C)CN 259174403 573742050 /nfs/dbraw/zinc/74/20/50/573742050.db2.gz CMKMPHHTFSJZIN-RQJHMYQMSA-N 1 3 130.235 0.579 10 0 ACAEHO CN1CC[NH+]=C1c1ccccc1CN 108300494 573744058 /nfs/dbraw/zinc/74/40/58/573744058.db2.gz PCBPSDXXMIEUBJ-UHFFFAOYSA-N 1 3 189.262 0.837 10 0 ACAEHO CC[C@@H](C1CNC1)[N@@H+]1CC[C@H](CO)C1 716144997 573744321 /nfs/dbraw/zinc/74/43/21/573744321.db2.gz OMFJLWUFXNIMBH-ONGXEEELSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](C1CNC1)[N@H+]1CC[C@H](CO)C1 716144997 573744327 /nfs/dbraw/zinc/74/43/27/573744327.db2.gz OMFJLWUFXNIMBH-ONGXEEELSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](C1C[NH2+]C1)N1CC[C@H](CO)C1 716144997 573744329 /nfs/dbraw/zinc/74/43/29/573744329.db2.gz OMFJLWUFXNIMBH-ONGXEEELSA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]CCN1CCCCC1 308700755 573746993 /nfs/dbraw/zinc/74/69/93/573746993.db2.gz UVENQKMIKKKJGG-QWRGUYRKSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NCCN1CCCCC1 308700755 573746997 /nfs/dbraw/zinc/74/69/97/573746997.db2.gz UVENQKMIKKKJGG-QWRGUYRKSA-N 1 3 199.342 0.798 10 0 ACAEHO CC[N@H+]1C[C@@H](N)C[C@@H](C)C1 87039941 573746724 /nfs/dbraw/zinc/74/67/24/573746724.db2.gz MMUFRYYUQCJSFE-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039941 573746728 /nfs/dbraw/zinc/74/67/28/573746728.db2.gz MMUFRYYUQCJSFE-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CCn1nc(CN)c2c1CC[N@H+](C)C2 257863127 573746836 /nfs/dbraw/zinc/74/68/36/573746836.db2.gz RLJBHYHVHDMLNJ-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO CCn1nc(CN)c2c1CC[N@@H+](C)C2 257863127 573746841 /nfs/dbraw/zinc/74/68/41/573746841.db2.gz RLJBHYHVHDMLNJ-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO CN(Cc1ccccc1)C[C@H]([NH3+])CN 258901503 573746940 /nfs/dbraw/zinc/74/69/40/573746940.db2.gz GOXAWXMARVAPNL-LLVKDONJSA-N 1 3 193.294 0.404 10 0 ACAEHO C[C@@H]([NH3+])CN1CCCN(C2CC2)CC1 108308945 573748900 /nfs/dbraw/zinc/74/89/00/573748900.db2.gz JUUBXDUIJJEMMG-SNVBAGLBSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@@H](N)C[C@@H](C)C1 87042375 573749861 /nfs/dbraw/zinc/74/98/61/573749861.db2.gz XYTNXGHAWKZPPE-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87042375 573749866 /nfs/dbraw/zinc/74/98/66/573749866.db2.gz XYTNXGHAWKZPPE-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]([NH2+]CCN1CCCCC1)[C@@H](C)N 308700754 573748487 /nfs/dbraw/zinc/74/84/87/573748487.db2.gz UVENQKMIKKKJGG-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H](NCCN1CCCCC1)[C@@H](C)[NH3+] 308700754 573748492 /nfs/dbraw/zinc/74/84/92/573748492.db2.gz UVENQKMIKKKJGG-MNOVXSKESA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+](CCCO)C1 87041619 573748542 /nfs/dbraw/zinc/74/85/42/573748542.db2.gz RWZOHMOFNZYUIW-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+](CCCO)C1 87041619 573748547 /nfs/dbraw/zinc/74/85/47/573748547.db2.gz RWZOHMOFNZYUIW-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CN(CCN(C)C)C1 87042514 573748748 /nfs/dbraw/zinc/74/87/48/573748748.db2.gz KPICAWDJWRSRCV-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]([NH3+])CN1CCCN(C2CC2)CC1 108308943 573748974 /nfs/dbraw/zinc/74/89/74/573748974.db2.gz JUUBXDUIJJEMMG-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO COC[C@H](C)[N@H+]1C[C@@H](N)C[C@@H](C)C1 87039502 573749094 /nfs/dbraw/zinc/74/90/94/573749094.db2.gz FIXQSXSFDHQIBT-UTLUCORTSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039502 573749099 /nfs/dbraw/zinc/74/90/99/573749099.db2.gz FIXQSXSFDHQIBT-UTLUCORTSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 87039506 573749785 /nfs/dbraw/zinc/74/97/85/573749785.db2.gz FIXQSXSFDHQIBT-KXUCPTDWSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@H]([NH2+]CCCCF)C1CNC1 686250348 573749184 /nfs/dbraw/zinc/74/91/84/573749184.db2.gz YITMRVXAWHSPCG-QMMMGPOBSA-N 1 3 174.263 0.934 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+](CCCCO)C1 87041455 573749222 /nfs/dbraw/zinc/74/92/22/573749222.db2.gz YBCKWMCFENICIR-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+](CCCCO)C1 87041455 573749229 /nfs/dbraw/zinc/74/92/29/573749229.db2.gz YBCKWMCFENICIR-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H](N)C1 87042379 573749915 /nfs/dbraw/zinc/74/99/15/573749915.db2.gz XYTNXGHAWKZPPE-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H](N)C1 87042379 573749919 /nfs/dbraw/zinc/74/99/19/573749919.db2.gz XYTNXGHAWKZPPE-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO CC[C@@H](CCO)[NH2+][C@H](C)C1CNC1 686244161 573749534 /nfs/dbraw/zinc/74/95/34/573749534.db2.gz BXGSTHZAPWHJGE-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H](CCO)N[C@H](C)C1C[NH2+]C1 686244161 573749541 /nfs/dbraw/zinc/74/95/41/573749541.db2.gz BXGSTHZAPWHJGE-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CCN1CCC[C@@H]1C[NH2+]CC(C)(C)N 308706557 573749616 /nfs/dbraw/zinc/74/96/16/573749616.db2.gz WYOOFUOIQLGMQI-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO COC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](N)C1 87039504 573749744 /nfs/dbraw/zinc/74/97/44/573749744.db2.gz FIXQSXSFDHQIBT-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)[N@H+]1C[C@@H](C)C[C@H](N)C1 87039504 573749747 /nfs/dbraw/zinc/74/97/47/573749747.db2.gz FIXQSXSFDHQIBT-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO NCC1([C@@H]([NH3+])C2CCC2)CC1 259181521 573749749 /nfs/dbraw/zinc/74/97/49/573749749.db2.gz CRSONSBOQPMLAT-QMMMGPOBSA-N 1 3 154.257 0.853 10 0 ACAEHO COC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](N)C1 87039506 573749782 /nfs/dbraw/zinc/74/97/82/573749782.db2.gz FIXQSXSFDHQIBT-KXUCPTDWSA-N 1 3 186.299 0.690 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)C[C@H](N)C1 87039942 573753119 /nfs/dbraw/zinc/75/31/19/573753119.db2.gz MMUFRYYUQCJSFE-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1C[C@@H](C)C[C@H](N)C1 87039942 573753123 /nfs/dbraw/zinc/75/31/23/573753123.db2.gz MMUFRYYUQCJSFE-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+](CC(C)(C)O)C1 87042724 573753147 /nfs/dbraw/zinc/75/31/47/573753147.db2.gz AKNHDVYCNAYGSR-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+](CC(C)(C)O)C1 87042724 573753152 /nfs/dbraw/zinc/75/31/52/573753152.db2.gz AKNHDVYCNAYGSR-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO CCN1CCC[C@H]1C[NH2+]CC(C)(C)N 308706556 573751584 /nfs/dbraw/zinc/75/15/84/573751584.db2.gz WYOOFUOIQLGMQI-JTQLQIEISA-N 1 3 199.342 0.798 10 0 ACAEHO NCC1([C@H]([NH3+])C2CCC2)CC1 259181520 573751757 /nfs/dbraw/zinc/75/17/57/573751757.db2.gz CRSONSBOQPMLAT-MRVPVSSYSA-N 1 3 154.257 0.853 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+]([C@@H]2CCCOC2)C1 87039652 573751890 /nfs/dbraw/zinc/75/18/90/573751890.db2.gz IETUFVGYIJEUTK-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+]([C@@H]2CCCOC2)C1 87039652 573751893 /nfs/dbraw/zinc/75/18/93/573751893.db2.gz IETUFVGYIJEUTK-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@H](CCO)[NH2+][C@H](C)C1CNC1 686244160 573751916 /nfs/dbraw/zinc/75/19/16/573751916.db2.gz BXGSTHZAPWHJGE-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](CCO)N[C@H](C)C1C[NH2+]C1 686244160 573751922 /nfs/dbraw/zinc/75/19/22/573751922.db2.gz BXGSTHZAPWHJGE-PSASIEDQSA-N 1 3 186.299 0.345 10 0 ACAEHO COC[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H](N)C1 87039508 573751979 /nfs/dbraw/zinc/75/19/79/573751979.db2.gz FIXQSXSFDHQIBT-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](N)C1 87039508 573751987 /nfs/dbraw/zinc/75/19/87/573751987.db2.gz FIXQSXSFDHQIBT-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO CC[C@H](C[NH3+])CN[C@H]1CCCN(C)C1 258919944 573752055 /nfs/dbraw/zinc/75/20/55/573752055.db2.gz GSFCFAYQGUGLOD-MNOVXSKESA-N 1 3 199.342 0.655 10 0 ACAEHO CC[C@@H](CCO)[NH2+][C@@H](C)C1CNC1 686244168 573752094 /nfs/dbraw/zinc/75/20/94/573752094.db2.gz BXGSTHZAPWHJGE-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@@H](CCO)N[C@@H](C)C1C[NH2+]C1 686244168 573752096 /nfs/dbraw/zinc/75/20/96/573752096.db2.gz BXGSTHZAPWHJGE-WPRPVWTQSA-N 1 3 186.299 0.345 10 0 ACAEHO CN1CCC(C(=O)C2(C[NH3+])CC2)CC1 259175682 573752145 /nfs/dbraw/zinc/75/21/45/573752145.db2.gz MWHBFXXIGABFEF-UHFFFAOYSA-N 1 3 196.294 0.636 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+](C[C@@H](C)O)C1 87042377 573752182 /nfs/dbraw/zinc/75/21/82/573752182.db2.gz XYTNXGHAWKZPPE-YIZRAAEISA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+](C[C@@H](C)O)C1 87042377 573752189 /nfs/dbraw/zinc/75/21/89/573752189.db2.gz XYTNXGHAWKZPPE-YIZRAAEISA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]C[C@H]1CCCCN1C 308704217 573753206 /nfs/dbraw/zinc/75/32/06/573753206.db2.gz WDOKBXREPBKRGT-GARJFASQSA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+](CCCO)C1 87041617 573752233 /nfs/dbraw/zinc/75/22/33/573752233.db2.gz RWZOHMOFNZYUIW-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+](CCCO)C1 87041617 573752235 /nfs/dbraw/zinc/75/22/35/573752235.db2.gz RWZOHMOFNZYUIW-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NC[C@H]1CCCCN1C 308704217 573753212 /nfs/dbraw/zinc/75/32/12/573753212.db2.gz WDOKBXREPBKRGT-GARJFASQSA-N 1 3 199.342 0.796 10 0 ACAEHO [NH3+]CCN[C@H]1CCC[C@H]1n1ccnc1 308703765 573752324 /nfs/dbraw/zinc/75/23/24/573752324.db2.gz VXFQNKYDVNIZGG-VHSXEESVSA-N 1 3 194.282 0.525 10 0 ACAEHO [NH3+]CCN[C@@H]1CCC[C@H]1n1ccnc1 308703758 573752428 /nfs/dbraw/zinc/75/24/28/573752428.db2.gz VXFQNKYDVNIZGG-NXEZZACHSA-N 1 3 194.282 0.525 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CN(CCN(C)C)C1 87042520 573752459 /nfs/dbraw/zinc/75/24/59/573752459.db2.gz KPICAWDJWRSRCV-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CN1CCC(C(=O)C(C)(C)C[NH3+])CC1 259175655 573752656 /nfs/dbraw/zinc/75/26/56/573752656.db2.gz MVYTUBHNUUZLHF-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@@H](C[NH3+])CN[C@@H]1CCCN(C)C1 258919952 573752714 /nfs/dbraw/zinc/75/27/14/573752714.db2.gz GSFCFAYQGUGLOD-WDEREUQCSA-N 1 3 199.342 0.655 10 0 ACAEHO [NH3+]CCN[C@@H]1CCC[C@@H]1n1ccnc1 308703768 573752746 /nfs/dbraw/zinc/75/27/46/573752746.db2.gz VXFQNKYDVNIZGG-ZJUUUORDSA-N 1 3 194.282 0.525 10 0 ACAEHO Cc1nc(CC[NH2+][C@H](C)[C@@H](C)N)no1 308706076 573752921 /nfs/dbraw/zinc/75/29/21/573752921.db2.gz WVDLQRZWEUGGOF-RNFRBKRXSA-N 1 3 198.270 0.246 10 0 ACAEHO COCC[N@@H+]1CC[C@H](CN)C1(C)C 259175868 573752965 /nfs/dbraw/zinc/75/29/65/573752965.db2.gz AVAYGYYFMDMXLK-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO COCC[N@H+]1CC[C@H](CN)C1(C)C 259175868 573752969 /nfs/dbraw/zinc/75/29/69/573752969.db2.gz AVAYGYYFMDMXLK-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC[C@@H](C[NH3+])CN[C@H]1CCCN(C)C1 258919947 573753042 /nfs/dbraw/zinc/75/30/42/573753042.db2.gz GSFCFAYQGUGLOD-QWRGUYRKSA-N 1 3 199.342 0.655 10 0 ACAEHO [NH3+][C@H](CNC1CC1)[C@H]1CCOC1 258118980 573757616 /nfs/dbraw/zinc/75/76/16/573757616.db2.gz LGMDQVPZIUZSCV-IONNQARKSA-N 1 3 170.256 0.102 10 0 ACAEHO COC[C@H]1C[C@H](CN2CCCC2)C[NH2+]1 258120907 573757630 /nfs/dbraw/zinc/75/76/30/573757630.db2.gz IHLGACAOPRSIBZ-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO [NH3+][C@@H](CNC1CC1)[C@H]1CCOC1 258118977 573757958 /nfs/dbraw/zinc/75/79/58/573757958.db2.gz LGMDQVPZIUZSCV-CBAPKCEASA-N 1 3 170.256 0.102 10 0 ACAEHO CCC[N@H+](C)CC[C@H]1CN(C)CCN1 258913498 573758132 /nfs/dbraw/zinc/75/81/32/573758132.db2.gz MMVWAFCQGOXTIS-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CCC[N@@H+](C)CC[C@H]1CN(C)CCN1 258913498 573758139 /nfs/dbraw/zinc/75/81/39/573758139.db2.gz MMVWAFCQGOXTIS-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@@H](N)CN(C)C)C1 258121082 573758181 /nfs/dbraw/zinc/75/81/81/573758181.db2.gz LIORAXQSEKQLJA-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@@H](N)CN(C)C)C1 258121082 573758186 /nfs/dbraw/zinc/75/81/86/573758186.db2.gz LIORAXQSEKQLJA-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[N@@H+]1C[C@@H](CN)C[C@@H]1C1CC1 108331466 573758335 /nfs/dbraw/zinc/75/83/35/573758335.db2.gz PUWYAAZSHZUTFZ-VXNVDRBHSA-N 1 3 154.257 0.675 10 0 ACAEHO C[N@H+]1C[C@@H](CN)C[C@@H]1C1CC1 108331466 573758339 /nfs/dbraw/zinc/75/83/39/573758339.db2.gz PUWYAAZSHZUTFZ-VXNVDRBHSA-N 1 3 154.257 0.675 10 0 ACAEHO C[NH2+][C@@H](CCN)C(C)(C)C 259564754 573758360 /nfs/dbraw/zinc/75/83/60/573758360.db2.gz VGVYFRSMVLMJEJ-ZETCQYMHSA-N 1 3 144.262 0.969 10 0 ACAEHO C[NH2+][C@H](C)CN1CCCN(C)[C@@H](C)C1 258120955 573758391 /nfs/dbraw/zinc/75/83/91/573758391.db2.gz LTFRGUQIXYHDEG-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO COC[C@]1([C@H]2CCCC[NH2+]2)CCCN1 258120075 573758717 /nfs/dbraw/zinc/75/87/17/573758717.db2.gz ZUZJFXUYDVGBPU-MNOVXSKESA-N 1 3 198.310 0.897 10 0 ACAEHO CN1CC[C@@H](C(=O)C[C@H]2CCC[NH2+]2)C1 259182824 573758777 /nfs/dbraw/zinc/75/87/77/573758777.db2.gz NIGXPVRDYWYGOQ-NXEZZACHSA-N 1 3 196.294 0.649 10 0 ACAEHO CC(C)(C)C1=[NH+][C@H]2CCNC[C@H]2N1 258119301 573758862 /nfs/dbraw/zinc/75/88/62/573758862.db2.gz WCMHFWWABBBPAE-JGVFFNPUSA-N 1 3 181.283 0.765 10 0 ACAEHO C[NH2+][C@H](CCN)C(C)(C)C 259564750 573759864 /nfs/dbraw/zinc/75/98/64/573759864.db2.gz VGVYFRSMVLMJEJ-SSDOTTSWSA-N 1 3 144.262 0.969 10 0 ACAEHO COC[C@@]1([C@@H]2CCCC[NH2+]2)CCCN1 258120083 573759458 /nfs/dbraw/zinc/75/94/58/573759458.db2.gz ZUZJFXUYDVGBPU-WDEREUQCSA-N 1 3 198.310 0.897 10 0 ACAEHO COC[C@@]1([C@@H]2CC[NH2+]C2)CCCCN1 258120329 573759501 /nfs/dbraw/zinc/75/95/01/573759501.db2.gz ZYRNYZCFXAXAPE-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@H](N)CN(C)C)C1 258121083 573759550 /nfs/dbraw/zinc/75/95/50/573759550.db2.gz LIORAXQSEKQLJA-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@H](N)CN(C)C)C1 258121083 573759554 /nfs/dbraw/zinc/75/95/54/573759554.db2.gz LIORAXQSEKQLJA-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CN1CCC[C@@H](NCC2(C[NH3+])CC2)C1 258914973 573759681 /nfs/dbraw/zinc/75/96/81/573759681.db2.gz MOEPEAQRBCDSNB-SNVBAGLBSA-N 1 3 197.326 0.409 10 0 ACAEHO CN1CCC[C@@H]([NH2+]CC2(CN)CC2)C1 258914973 573759687 /nfs/dbraw/zinc/75/96/87/573759687.db2.gz MOEPEAQRBCDSNB-SNVBAGLBSA-N 1 3 197.326 0.409 10 0 ACAEHO NCc1ccc(C(N)=[NH2+])s1 98207741 573761343 /nfs/dbraw/zinc/76/13/43/573761343.db2.gz BOBPPWFJOKHRKZ-UHFFFAOYSA-N 1 3 155.226 0.491 10 0 in-vitro ACAEHO C[C@@H](C[NH3+])CNC1(CN(C)C)CCC1 393562003 573762360 /nfs/dbraw/zinc/76/23/60/573762360.db2.gz LWJQFTLAKVABCV-JTQLQIEISA-N 1 3 199.342 0.655 10 0 ACAEHO Cc1noc(CC[NH2+]CC(C)(C)N)n1 308709301 573762503 /nfs/dbraw/zinc/76/25/03/573762503.db2.gz XVORDBTUKFUBRK-UHFFFAOYSA-N 1 3 198.270 0.247 10 0 ACAEHO [NH3+][C@H]1C[C@H](C2CC2)N(C2CC2)C1 108332214 573762610 /nfs/dbraw/zinc/76/26/10/573762610.db2.gz ONNJRZNCGHCTKI-WCBMZHEXSA-N 1 3 166.268 0.960 10 0 ACAEHO Cc1cccc([C@@H]2[NH2+]C[C@@H]3[C@@H](N)[C@H]23)n1 238507127 573762779 /nfs/dbraw/zinc/76/27/79/573762779.db2.gz VXTLRMFNRQBRKS-IANFPDNMSA-N 1 3 189.262 0.608 10 0 ACAEHO CN1CCC[C@@H](NC(C)(C)CC[NH3+])C1 258918945 573763159 /nfs/dbraw/zinc/76/31/59/573763159.db2.gz UJERYBDTZSTLCX-SNVBAGLBSA-N 1 3 199.342 0.798 10 0 ACAEHO CN1CCC([NH2+]CC2(CN)CC2)CC1 258919603 573763217 /nfs/dbraw/zinc/76/32/17/573763217.db2.gz NEHFGXUFNKAECT-UHFFFAOYSA-N 1 3 197.326 0.409 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCCN(C)[C@@H](C)C1 258123369 573763272 /nfs/dbraw/zinc/76/32/72/573763272.db2.gz LTFRGUQIXYHDEG-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]1[C@H]([NH3+])CCN1CC 22441485 573763280 /nfs/dbraw/zinc/76/32/80/573763280.db2.gz BNOYCDQDTWFSTL-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CCO[C@@]1(C[NH3+])CCCN(C2CC2)C1 257868838 573763312 /nfs/dbraw/zinc/76/33/12/573763312.db2.gz QBMJQQNVXSHKLP-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@@]1(CN)CCC[N@@H+](C2CC2)C1 257868838 573763314 /nfs/dbraw/zinc/76/33/14/573763314.db2.gz QBMJQQNVXSHKLP-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@@]1(CN)CCC[N@H+](C2CC2)C1 257868838 573763321 /nfs/dbraw/zinc/76/33/21/573763321.db2.gz QBMJQQNVXSHKLP-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H](C[NH3+])CNC1(CN(C)C)CCC1 393562004 573763398 /nfs/dbraw/zinc/76/33/98/573763398.db2.gz LWJQFTLAKVABCV-SNVBAGLBSA-N 1 3 199.342 0.655 10 0 ACAEHO [NH3+][C@@H]1C[C@@H](C2CC2)N(C2CC2)C1 108332217 573764604 /nfs/dbraw/zinc/76/46/04/573764604.db2.gz ONNJRZNCGHCTKI-SCZZXKLOSA-N 1 3 166.268 0.960 10 0 ACAEHO [NH3+][C@@H]1C[C@H](C2CC2)N(C2CC2)C1 108332221 573765065 /nfs/dbraw/zinc/76/50/65/573765065.db2.gz ONNJRZNCGHCTKI-PSASIEDQSA-N 1 3 166.268 0.960 10 0 ACAEHO CCO[C@]1(C[NH3+])CCCN(C2CC2)C1 257868839 573765245 /nfs/dbraw/zinc/76/52/45/573765245.db2.gz QBMJQQNVXSHKLP-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@]1(CN)CCC[N@@H+](C2CC2)C1 257868839 573765248 /nfs/dbraw/zinc/76/52/48/573765248.db2.gz QBMJQQNVXSHKLP-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO CCO[C@]1(CN)CCC[N@H+](C2CC2)C1 257868839 573765254 /nfs/dbraw/zinc/76/52/54/573765254.db2.gz QBMJQQNVXSHKLP-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCCN(C)[C@H](C)C1 258123372 573765447 /nfs/dbraw/zinc/76/54/47/573765447.db2.gz LTFRGUQIXYHDEG-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C1CN[C@@H](C[C@@H]2CC[NH2+]C2)OC1 257870416 573766867 /nfs/dbraw/zinc/76/68/67/573766867.db2.gz APUWEURBHXSETR-DTWKUNHWSA-N 1 3 170.256 0.322 10 0 ACAEHO C[C@H]1CN(C)CCN1CC(C)(C)C[NH3+] 108347669 573765817 /nfs/dbraw/zinc/76/58/17/573765817.db2.gz RUAQJGGAUBULBW-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1CN(C)CCN1C1CC[NH2+]CC1 108343986 573765843 /nfs/dbraw/zinc/76/58/43/573765843.db2.gz VHCBNVSKOFWXLW-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@@H](C[NH2+]C(C)(C)CN)C1 258928182 573766353 /nfs/dbraw/zinc/76/63/53/573766353.db2.gz VDJDFIRTHIXWFH-JTQLQIEISA-N 1 3 199.342 0.655 10 0 ACAEHO CC(C)(C[NH3+])NCCc1ccncc1 258928150 573766316 /nfs/dbraw/zinc/76/63/16/573766316.db2.gz VBIJKRSPCQGDEL-UHFFFAOYSA-N 1 3 193.294 0.951 10 0 ACAEHO C[C@@H]1CN(C)CCN1C1CC[NH2+]CC1 108343984 573766481 /nfs/dbraw/zinc/76/64/81/573766481.db2.gz VHCBNVSKOFWXLW-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@@H]1CCO 393589622 573766630 /nfs/dbraw/zinc/76/66/30/573766630.db2.gz KXBTYWCDLQFRLW-MRVPVSSYSA-N 1 3 185.271 0.159 10 0 ACAEHO CN1CCC[C@H](C[NH2+]C(C)(C)CN)C1 258928183 573766686 /nfs/dbraw/zinc/76/66/86/573766686.db2.gz VDJDFIRTHIXWFH-SNVBAGLBSA-N 1 3 199.342 0.655 10 0 ACAEHO OC1(C[NH2+]C[C@@H]2CCCNC2)CCC1 131147077 573768744 /nfs/dbraw/zinc/76/87/44/573768744.db2.gz WCXQUFSPPYHPIZ-SNVBAGLBSA-N 1 3 198.310 0.491 10 0 ACAEHO C1CN[C@H](C[C@@H]2CC[NH2+]C2)OC1 257870417 573768771 /nfs/dbraw/zinc/76/87/71/573768771.db2.gz APUWEURBHXSETR-IUCAKERBSA-N 1 3 170.256 0.322 10 0 ACAEHO CC(C)(C)N1C[C@@H]2C[NH2+]C[C@H](C1)C2O 257871924 573768973 /nfs/dbraw/zinc/76/89/73/573768973.db2.gz QMYRGEVYKCGOHS-ULKQDVFKSA-N 1 3 198.310 0.297 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCN(C)C[C@@H]1C 108339026 573770173 /nfs/dbraw/zinc/77/01/73/573770173.db2.gz KNAAATXBIJIMIZ-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]CC1(O)CCC1 131138895 573771242 /nfs/dbraw/zinc/77/12/42/573771242.db2.gz XCSQLXCVVHIXET-NXEZZACHSA-N 1 3 198.310 0.618 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCC1 131139103 573771799 /nfs/dbraw/zinc/77/17/99/573771799.db2.gz XCSQLXCVVHIXET-VHSXEESVSA-N 1 3 198.310 0.618 10 0 ACAEHO C[NH2+]Cc1ccc(CN)n1C 108366543 573771284 /nfs/dbraw/zinc/77/12/84/573771284.db2.gz JJXIUJQRVILJSB-UHFFFAOYSA-N 1 3 153.229 0.203 10 0 ACAEHO OC1(CNC[C@H]2CCC[NH2+]C2)CCC1 131146888 573771369 /nfs/dbraw/zinc/77/13/69/573771369.db2.gz WCXQUFSPPYHPIZ-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO OC1(C[NH2+]C[C@H]2CCCNC2)CCC1 131146888 573771376 /nfs/dbraw/zinc/77/13/76/573771376.db2.gz WCXQUFSPPYHPIZ-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 131139306 573771390 /nfs/dbraw/zinc/77/13/90/573771390.db2.gz XCSQLXCVVHIXET-ZJUUUORDSA-N 1 3 198.310 0.618 10 0 ACAEHO C[C@H](N[C@@H](C)C(C)(C)O)C1C[NH2+]C1 686250685 573771887 /nfs/dbraw/zinc/77/18/87/573771887.db2.gz BENNQCXQQIJQMF-YUMQZZPRSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)C(C)(C)O)C1CNC1 686250685 573771895 /nfs/dbraw/zinc/77/18/95/573771895.db2.gz BENNQCXQQIJQMF-YUMQZZPRSA-N 1 3 186.299 0.343 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 131139517 573771896 /nfs/dbraw/zinc/77/18/96/573771896.db2.gz XCSQLXCVVHIXET-UWVGGRQHSA-N 1 3 198.310 0.618 10 0 ACAEHO CNCc1cc(C[NH3+])co1 108366182 573772048 /nfs/dbraw/zinc/77/20/48/573772048.db2.gz NWIAZORKAWSVKM-UHFFFAOYSA-N 1 3 140.186 0.458 10 0 ACAEHO CN(C)Cc1c[nH]c(C[NH3+])c1 108366536 573775796 /nfs/dbraw/zinc/77/57/96/573775796.db2.gz WOCRNPGGXPHHBY-UHFFFAOYSA-N 1 3 153.229 0.535 10 0 ACAEHO C[C@H](C[NH3+])CCCN1CCN(C)CC1 131162146 573776230 /nfs/dbraw/zinc/77/62/30/573776230.db2.gz GHFMVKZTPAXUSN-NSHDSACASA-N 1 3 199.342 0.609 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@H]2NCCO2)C1 258128289 573776029 /nfs/dbraw/zinc/77/60/29/573776029.db2.gz NNCLWBPSRHCECB-IUCAKERBSA-N 1 3 170.256 0.274 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@H]2NCCO2)C1 258128289 573776032 /nfs/dbraw/zinc/77/60/32/573776032.db2.gz NNCLWBPSRHCECB-IUCAKERBSA-N 1 3 170.256 0.274 10 0 ACAEHO C[C@H](N[C@H](C)C(C)(C)O)C1C[NH2+]C1 686250683 573776201 /nfs/dbraw/zinc/77/62/01/573776201.db2.gz BENNQCXQQIJQMF-JGVFFNPUSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H]([NH2+][C@H](C)C(C)(C)O)C1CNC1 686250683 573776205 /nfs/dbraw/zinc/77/62/05/573776205.db2.gz BENNQCXQQIJQMF-JGVFFNPUSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@@H]([NH3+])CO[C@H]1CCN(C)C1 108366958 573777422 /nfs/dbraw/zinc/77/74/22/573777422.db2.gz APJKVZPPOWLBNB-SFYZADRCSA-N 1 3 158.245 0.054 10 0 ACAEHO C[NH2+]Cc1cc(CN)cs1 108366727 573777280 /nfs/dbraw/zinc/77/72/80/573777280.db2.gz HPVFJUBLVFTELB-UHFFFAOYSA-N 1 3 156.254 0.926 10 0 ACAEHO C[C@H](C[NH3+])O[C@@H]1CCN(C)C1 108367019 573777394 /nfs/dbraw/zinc/77/73/94/573777394.db2.gz TXGUNILWGGZGQM-HTQZYQBOSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[C@H](NC1CC(OC)C1)C1C[NH2+]C1 716169823 573777360 /nfs/dbraw/zinc/77/73/60/573777360.db2.gz YLSIFBNJRIAFMY-ILDUYXDCSA-N 1 3 198.310 0.751 10 0 ACAEHO CC[C@H]([NH2+]C1CC(OC)C1)C1CNC1 716169823 573777365 /nfs/dbraw/zinc/77/73/65/573777365.db2.gz YLSIFBNJRIAFMY-ILDUYXDCSA-N 1 3 198.310 0.751 10 0 ACAEHO CC(C)[C@@H](C[NH3+])N(C)[C@H]1CCN(C)C1 258941298 573777907 /nfs/dbraw/zinc/77/79/07/573777907.db2.gz WEGNTVNKWZLGEV-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H](CN)[N@H+](C)[C@H]1CCN(C)C1 258941298 573777914 /nfs/dbraw/zinc/77/79/14/573777914.db2.gz WEGNTVNKWZLGEV-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H](CN)[N@@H+](C)[C@H]1CCN(C)C1 258941298 573777918 /nfs/dbraw/zinc/77/79/18/573777918.db2.gz WEGNTVNKWZLGEV-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H](C[NH3+])N(C)[C@@H]1CCN(C)C1 258941293 573778039 /nfs/dbraw/zinc/77/80/39/573778039.db2.gz WEGNTVNKWZLGEV-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H](CN)[N@H+](C)[C@@H]1CCN(C)C1 258941293 573778046 /nfs/dbraw/zinc/77/80/46/573778046.db2.gz WEGNTVNKWZLGEV-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H](CN)[N@@H+](C)[C@@H]1CCN(C)C1 258941293 573778052 /nfs/dbraw/zinc/77/80/52/573778052.db2.gz WEGNTVNKWZLGEV-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO Cn1cccc1[C@@H]1[NH2+]C[C@@H]2[C@@H](N)[C@H]12 238512313 573779316 /nfs/dbraw/zinc/77/93/16/573779316.db2.gz RPWDRTJEEQCLGB-ZQNVIIHSSA-N 1 3 177.251 0.243 10 0 ACAEHO Cn1cccc1[C@@H]1NC[C@@H]2[C@@H]([NH3+])[C@H]12 238512313 573779319 /nfs/dbraw/zinc/77/93/19/573779319.db2.gz RPWDRTJEEQCLGB-ZQNVIIHSSA-N 1 3 177.251 0.243 10 0 ACAEHO [NH3+]CCCc1ncc2cccc(O)n12 257876314 573779320 /nfs/dbraw/zinc/77/93/20/573779320.db2.gz UPZWPSJVEPJPRZ-UHFFFAOYSA-N 1 3 191.234 0.931 10 0 ACAEHO COC[C@@H]1C[C@@H](CN2CCCC2)C[NH2+]1 258118582 573779407 /nfs/dbraw/zinc/77/94/07/573779407.db2.gz IHLGACAOPRSIBZ-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO Cc1cc(NCC[NH+](C)C)nc(N)n1 84148481 573779624 /nfs/dbraw/zinc/77/96/24/573779624.db2.gz HUHBNYSOOJVVFX-UHFFFAOYSA-N 1 3 195.270 0.341 10 0 ACAEHO NCc1csc(CC[NH3+])c1 108366724 573779780 /nfs/dbraw/zinc/77/97/80/573779780.db2.gz YRXQHQMHBVWGBS-UHFFFAOYSA-N 1 3 156.254 0.708 10 0 ACAEHO C[C@@H]([NH3+])CO[C@@H]1CCN(C)C1 108366952 573780933 /nfs/dbraw/zinc/78/09/33/573780933.db2.gz APJKVZPPOWLBNB-HTQZYQBOSA-N 1 3 158.245 0.054 10 0 ACAEHO CN1CC[C@H](OCCC[NH3+])C1 108366936 573779878 /nfs/dbraw/zinc/77/98/78/573779878.db2.gz OHTBRARAUCBWKJ-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CN1CCN[C@H](CC[NH2+]C2CCC2)C1 258938122 573780936 /nfs/dbraw/zinc/78/09/36/573780936.db2.gz PHAOIIJLCOHWIQ-LLVKDONJSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@@H](OCCC[NH3+])C1 108366939 573780210 /nfs/dbraw/zinc/78/02/10/573780210.db2.gz OHTBRARAUCBWKJ-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO NCc1cc(C[NH3+])c(Cl)[nH]1 108367197 573780286 /nfs/dbraw/zinc/78/02/86/573780286.db2.gz XOPCLRRXDFZBGH-UHFFFAOYSA-N 1 3 159.620 0.586 10 0 ACAEHO C[C@]12CCC[N@@H+]1CC[C@@H]2CN 238512943 573780600 /nfs/dbraw/zinc/78/06/00/573780600.db2.gz KHZWMOVINUNPPU-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@]12CCC[N@H+]1CC[C@@H]2CN 238512943 573780606 /nfs/dbraw/zinc/78/06/06/573780606.db2.gz KHZWMOVINUNPPU-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H](C[NH3+])O[C@H]1CCN(C)C1 108367025 573780755 /nfs/dbraw/zinc/78/07/55/573780755.db2.gz TXGUNILWGGZGQM-SFYZADRCSA-N 1 3 158.245 0.054 10 0 ACAEHO CN1CC[C@@H](NCC2(C[NH3+])CCC2)C1 258939955 573780805 /nfs/dbraw/zinc/78/08/05/573780805.db2.gz PPQYRTULHBATRJ-SNVBAGLBSA-N 1 3 197.326 0.409 10 0 ACAEHO CN1CC[C@@H]([NH2+]CC2(CN)CCC2)C1 258939955 573780811 /nfs/dbraw/zinc/78/08/11/573780811.db2.gz PPQYRTULHBATRJ-SNVBAGLBSA-N 1 3 197.326 0.409 10 0 ACAEHO NCc1cc(CC[NH3+])oc1Cl 108368738 573780814 /nfs/dbraw/zinc/78/08/14/573780814.db2.gz XYZLQQSEFLIXOZ-UHFFFAOYSA-N 1 3 174.631 0.893 10 0 ACAEHO CN(C)Cc1cc(C[NH3+])n(C)c1 108367562 573780829 /nfs/dbraw/zinc/78/08/29/573780829.db2.gz ZNDYRRNZICAHQP-UHFFFAOYSA-N 1 3 167.256 0.545 10 0 ACAEHO C[C@H]([NH3+])CO[C@@H]1CCN(C)C1 108366948 573780904 /nfs/dbraw/zinc/78/09/04/573780904.db2.gz APJKVZPPOWLBNB-JGVFFNPUSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C1CCOCC1 258947110 573785535 /nfs/dbraw/zinc/78/55/35/573785535.db2.gz JGVZSNWNHJRZDY-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO C[N@@H+]1CCC[C@H](C[C@H]2COCCN2)C1 259186658 573784836 /nfs/dbraw/zinc/78/48/36/573784836.db2.gz QWAQWLICLVMSLV-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@H](C[C@H]2COCCN2)C1 259186658 573784841 /nfs/dbraw/zinc/78/48/41/573784841.db2.gz QWAQWLICLVMSLV-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CC[C@H](CN)C[NH2+]C1CCOCC1 258947107 573785228 /nfs/dbraw/zinc/78/52/28/573785228.db2.gz JGVZSNWNHJRZDY-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@](N)(C[NH3+])C1CCOCC1 258946888 573785262 /nfs/dbraw/zinc/78/52/62/573785262.db2.gz AQCAPXATRJNTOG-QMMMGPOBSA-N 1 3 158.245 0.089 10 0 ACAEHO C[C@@](N)(C[NH3+])C1CCOCC1 258946887 573785502 /nfs/dbraw/zinc/78/55/02/573785502.db2.gz AQCAPXATRJNTOG-MRVPVSSYSA-N 1 3 158.245 0.089 10 0 ACAEHO CO[C@@H]1CN(C/C=C\C[NH3+])CC[C@H]1C 308432377 573785645 /nfs/dbraw/zinc/78/56/45/573785645.db2.gz FSHMQPOBYMFZBC-ANDSXOESSA-N 1 3 198.310 0.858 10 0 ACAEHO CCO[C@@H](CN)C[N@H+](C)C1CCC1 127188714 573785791 /nfs/dbraw/zinc/78/57/91/573785791.db2.gz YPYHGRLVWYBIQD-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@@H](CN)C[N@@H+](C)C1CCC1 127188714 573785799 /nfs/dbraw/zinc/78/57/99/573785799.db2.gz YPYHGRLVWYBIQD-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@@H](C[NH3+])CN(C)C1CCC1 127188714 573785808 /nfs/dbraw/zinc/78/58/08/573785808.db2.gz YPYHGRLVWYBIQD-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C[C@H]2COCCN2)C1 259186661 573785852 /nfs/dbraw/zinc/78/58/52/573785852.db2.gz QWAQWLICLVMSLV-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@@H](C[C@H]2COCCN2)C1 259186661 573785858 /nfs/dbraw/zinc/78/58/58/573785858.db2.gz QWAQWLICLVMSLV-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H](N)c1ccnn1C1C[NH2+]C1 258426083 573786276 /nfs/dbraw/zinc/78/62/76/573786276.db2.gz CJQDNIGVOBEESH-LURJTMIESA-N 1 3 166.228 0.047 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C[C@@H]2COCCN2)C1 259186665 573786012 /nfs/dbraw/zinc/78/60/12/573786012.db2.gz QWAQWLICLVMSLV-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@@H](C[C@@H]2COCCN2)C1 259186665 573786018 /nfs/dbraw/zinc/78/60/18/573786018.db2.gz QWAQWLICLVMSLV-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CC(C)(C1(N)CC1)C1([NH3+])CC1 258426154 573786035 /nfs/dbraw/zinc/78/60/35/573786035.db2.gz CKGCTQPCVWEFAD-UHFFFAOYSA-N 1 3 154.257 0.995 10 0 ACAEHO Cc1nc(C)c([C@@H]2NC[C@@H]3[C@@H]([NH3+])[C@H]23)[nH]1 238518195 573789519 /nfs/dbraw/zinc/78/95/19/573789519.db2.gz ABHJQQKTJXGISG-OKJYPTKPSA-N 1 3 192.266 0.244 10 0 ACAEHO Cc1nc(C)c([C@@H]2[NH2+]C[C@@H]3[C@@H](N)[C@H]23)[nH]1 238518195 573789526 /nfs/dbraw/zinc/78/95/26/573789526.db2.gz ABHJQQKTJXGISG-OKJYPTKPSA-N 1 3 192.266 0.244 10 0 ACAEHO [NH3+][C@@H](C[C@H]1CNCCO1)c1ccc[nH]1 259568442 573788075 /nfs/dbraw/zinc/78/80/75/573788075.db2.gz VLXRFOZQINDHOH-IUCAKERBSA-N 1 3 195.266 0.393 10 0 ACAEHO CC(C)(CO)N1CCC([NH3+])CC1 238114713 573788090 /nfs/dbraw/zinc/78/80/90/573788090.db2.gz LBSDKIZPBUIMDY-UHFFFAOYSA-N 1 3 172.272 0.180 10 0 ACAEHO CCO[C@H](CN)C[N@H+](C)C1CCC1 127188966 573788112 /nfs/dbraw/zinc/78/81/12/573788112.db2.gz YPYHGRLVWYBIQD-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO [NH3+][C@@H](C[C@@H]1CNCCO1)c1ccc[nH]1 259568436 573788117 /nfs/dbraw/zinc/78/81/17/573788117.db2.gz VLXRFOZQINDHOH-BDAKNGLRSA-N 1 3 195.266 0.393 10 0 ACAEHO CCO[C@H](CN)C[N@@H+](C)C1CCC1 127188966 573788118 /nfs/dbraw/zinc/78/81/18/573788118.db2.gz YPYHGRLVWYBIQD-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@H](C[NH3+])CN(C)C1CCC1 127188966 573788121 /nfs/dbraw/zinc/78/81/21/573788121.db2.gz YPYHGRLVWYBIQD-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CCO[C@@H](C)CN[C@@H](C)C1C[NH2+]C1 686244258 573788309 /nfs/dbraw/zinc/78/83/09/573788309.db2.gz FBWCJHUYUNEAKE-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO CCO[C@@H](C)C[NH2+][C@@H](C)C1CNC1 686244258 573788315 /nfs/dbraw/zinc/78/83/15/573788315.db2.gz FBWCJHUYUNEAKE-IUCAKERBSA-N 1 3 186.299 0.609 10 0 ACAEHO CCO[C@H](C)CN[C@H](C)C1C[NH2+]C1 686244261 573788395 /nfs/dbraw/zinc/78/83/95/573788395.db2.gz FBWCJHUYUNEAKE-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CCO[C@H](C)C[NH2+][C@H](C)C1CNC1 686244261 573788402 /nfs/dbraw/zinc/78/84/02/573788402.db2.gz FBWCJHUYUNEAKE-RKDXNWHRSA-N 1 3 186.299 0.609 10 0 ACAEHO CC(C)(CO)C[N@@H+]1CC[C@H](N)C1 238113426 573788469 /nfs/dbraw/zinc/78/84/69/573788469.db2.gz FTONSRVKQWKCRT-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CO)C[N@H+]1CC[C@H](N)C1 238113426 573788473 /nfs/dbraw/zinc/78/84/73/573788473.db2.gz FTONSRVKQWKCRT-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO [NH3+]CCCCN1CCO[C@H]2CCC[C@@H]21 43424312 573788493 /nfs/dbraw/zinc/78/84/93/573788493.db2.gz DZJHGXAQQDFAKG-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CN(CN1CC[NH2+]CC1)C1CCCC1 258944132 573788497 /nfs/dbraw/zinc/78/84/97/573788497.db2.gz QRBSTYZDZZMFSJ-UHFFFAOYSA-N 1 3 197.326 0.724 10 0 ACAEHO [NH3+]CCCCN1CCO[C@@H]2CCC[C@@H]21 43424310 573788621 /nfs/dbraw/zinc/78/86/21/573788621.db2.gz DZJHGXAQQDFAKG-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H](N)c1ccnn1C1C[NH2+]C1 258426088 573789100 /nfs/dbraw/zinc/78/91/00/573789100.db2.gz CJQDNIGVOBEESH-ZCFIWIBFSA-N 1 3 166.228 0.047 10 0 ACAEHO CC(C)CCC[N@H+](C)C[C@H](N)CN 259189535 573790121 /nfs/dbraw/zinc/79/01/21/573790121.db2.gz WNJRFPSHIPOCED-SNVBAGLBSA-N 1 3 187.331 0.640 10 0 ACAEHO CC(C)CCC[N@@H+](C)C[C@H](N)CN 259189535 573790132 /nfs/dbraw/zinc/79/01/32/573790132.db2.gz WNJRFPSHIPOCED-SNVBAGLBSA-N 1 3 187.331 0.640 10 0 ACAEHO CC(C)CCCN(C)C[C@H](N)C[NH3+] 259189535 573790137 /nfs/dbraw/zinc/79/01/37/573790137.db2.gz WNJRFPSHIPOCED-SNVBAGLBSA-N 1 3 187.331 0.640 10 0 ACAEHO CCO[C@@H](C)CN[C@H](C)C1C[NH2+]C1 686244257 573791052 /nfs/dbraw/zinc/79/10/52/573791052.db2.gz FBWCJHUYUNEAKE-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO CCO[C@@H](C)C[NH2+][C@H](C)C1CNC1 686244257 573791057 /nfs/dbraw/zinc/79/10/57/573791057.db2.gz FBWCJHUYUNEAKE-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@](C)(N)C[NH2+]C[C@H](C)OC 224282392 573791307 /nfs/dbraw/zinc/79/13/07/573791307.db2.gz ZGRPITLCHPEPES-IUCAKERBSA-N 1 3 174.288 0.738 10 0 ACAEHO CC[C@H](C)N(CCO)C(C)(C)C[NH3+] 393589962 573791553 /nfs/dbraw/zinc/79/15/53/573791553.db2.gz LGSSKBYCXWIFEB-VIFPVBQESA-N 1 3 188.315 0.817 10 0 ACAEHO CO[C@@H](C)CNCCC(C)(C)[NH3+] 224305902 573793340 /nfs/dbraw/zinc/79/33/40/573793340.db2.gz MTLFYXPVFUKMTP-QMMMGPOBSA-N 1 3 174.288 0.738 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H](CN)C1 87140484 573796325 /nfs/dbraw/zinc/79/63/25/573796325.db2.gz NEGIXHNQPCNKCR-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](CN)C1 87140484 573796331 /nfs/dbraw/zinc/79/63/31/573796331.db2.gz NEGIXHNQPCNKCR-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@H](C)N1CCC[C@H](C[NH3+])C1 87140484 573796334 /nfs/dbraw/zinc/79/63/34/573796334.db2.gz NEGIXHNQPCNKCR-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO [NH3+][C@@H](C[C@H]1CNCCO1)C1CCC1 259189078 573796545 /nfs/dbraw/zinc/79/65/45/573796545.db2.gz DAOLVAUOORACSM-UWVGGRQHSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H](C[NH3+])C1=CCN(C)CC1 78196125 573796591 /nfs/dbraw/zinc/79/65/91/573796591.db2.gz HYZYJYLVRQCDAU-QMMMGPOBSA-N 1 3 154.257 0.843 10 0 ACAEHO CC[NH2+][C@@H]1CCC[C@H]1CN 84214372 573796606 /nfs/dbraw/zinc/79/66/06/573796606.db2.gz GMDIQBPMHPCNRP-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO Cn1ccnc1N[C@H]1CCC[C@H]1C[NH3+] 84212820 573796664 /nfs/dbraw/zinc/79/66/64/573796664.db2.gz WSSZRBZFBNNGQL-IUCAKERBSA-N 1 3 194.282 0.959 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOC1 84221991 573798840 /nfs/dbraw/zinc/79/88/40/573798840.db2.gz ACOHNHXNVSHVNP-AXFHLTTASA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 87140488 573796717 /nfs/dbraw/zinc/79/67/17/573796717.db2.gz NEGIXHNQPCNKCR-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+]1CCC[C@H](CN)C1 87140488 573796723 /nfs/dbraw/zinc/79/67/23/573796723.db2.gz NEGIXHNQPCNKCR-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@@H](C)N1CCC[C@H](C[NH3+])C1 87140488 573796729 /nfs/dbraw/zinc/79/67/29/573796729.db2.gz NEGIXHNQPCNKCR-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CCC[C@H](N)C1 87140466 573796985 /nfs/dbraw/zinc/79/69/85/573796985.db2.gz PDXAKUDWLZBPMA-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+]1CCC[C@H](N)C1 87140466 573796992 /nfs/dbraw/zinc/79/69/92/573796992.db2.gz PDXAKUDWLZBPMA-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO O[C@@H]1CCC[C@H]1C[NH2+]C1CCNCC1 84225232 573797053 /nfs/dbraw/zinc/79/70/53/573797053.db2.gz XWMKZZRTIRWQCV-GXSJLCMTSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@@H]1CCC[C@H]1CNC1CC[NH2+]CC1 84225232 573797057 /nfs/dbraw/zinc/79/70/57/573797057.db2.gz XWMKZZRTIRWQCV-GXSJLCMTSA-N 1 3 198.310 0.489 10 0 ACAEHO COCC[N@H+](C[C@@H](C)N)C(C)C 131234376 573797072 /nfs/dbraw/zinc/79/70/72/573797072.db2.gz BMIGCCMEQSIOMN-SECBINFHSA-N 1 3 174.288 0.690 10 0 ACAEHO COCC[N@@H+](C[C@@H](C)N)C(C)C 131234376 573797077 /nfs/dbraw/zinc/79/70/77/573797077.db2.gz BMIGCCMEQSIOMN-SECBINFHSA-N 1 3 174.288 0.690 10 0 ACAEHO C[C@@H]([NH3+])CC(=O)[C@H]1CCN(C)C1 259190409 573797118 /nfs/dbraw/zinc/79/71/18/573797118.db2.gz NUWGFPCIYSADPU-SFYZADRCSA-N 1 3 170.256 0.245 10 0 ACAEHO CC[C@@H](CO)N(C)[C@@H](C)C1C[NH2+]C1 686255443 573797320 /nfs/dbraw/zinc/79/73/20/573797320.db2.gz JWWCRGUDCNNMAN-WPRPVWTQSA-N 1 3 186.299 0.297 10 0 ACAEHO CC[C@@H](CO)[N@H+](C)[C@@H](C)C1CNC1 686255443 573797324 /nfs/dbraw/zinc/79/73/24/573797324.db2.gz JWWCRGUDCNNMAN-WPRPVWTQSA-N 1 3 186.299 0.297 10 0 ACAEHO CC[C@@H](CO)[N@@H+](C)[C@@H](C)C1CNC1 686255443 573797329 /nfs/dbraw/zinc/79/73/29/573797329.db2.gz JWWCRGUDCNNMAN-WPRPVWTQSA-N 1 3 186.299 0.297 10 0 ACAEHO C[C@H]([NH3+])CC(=O)[C@H]1CCN(C)C1 259190411 573798152 /nfs/dbraw/zinc/79/81/52/573798152.db2.gz NUWGFPCIYSADPU-YUMQZZPRSA-N 1 3 170.256 0.245 10 0 ACAEHO Cn1ccnc1N[C@H]1CCC[C@@H]1C[NH3+] 84212818 573797518 /nfs/dbraw/zinc/79/75/18/573797518.db2.gz WSSZRBZFBNNGQL-BDAKNGLRSA-N 1 3 194.282 0.959 10 0 ACAEHO [NH3+][C@@H](C[C@@H]1CNCCO1)C1CCC1 259189082 573797584 /nfs/dbraw/zinc/79/75/84/573797584.db2.gz DAOLVAUOORACSM-ZJUUUORDSA-N 1 3 184.283 0.492 10 0 ACAEHO O[C@@H]1CCC[C@@H]1C[NH2+]C1CCNCC1 84225227 573797609 /nfs/dbraw/zinc/79/76/09/573797609.db2.gz XWMKZZRTIRWQCV-MWLCHTKSSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@@H]1CCC[C@@H]1CNC1CC[NH2+]CC1 84225227 573797614 /nfs/dbraw/zinc/79/76/14/573797614.db2.gz XWMKZZRTIRWQCV-MWLCHTKSSA-N 1 3 198.310 0.489 10 0 ACAEHO c1cc([C@H]2CNC[C@@]23CC[NH2+]C3)co1 238125312 573797638 /nfs/dbraw/zinc/79/76/38/573797638.db2.gz CKHHTWBFXKEFCU-MNOVXSKESA-N 1 3 192.262 0.946 10 0 ACAEHO [NH3+][C@H](C[C@H]1CNCCO1)C1CCC1 259189080 573797663 /nfs/dbraw/zinc/79/76/63/573797663.db2.gz DAOLVAUOORACSM-VHSXEESVSA-N 1 3 184.283 0.492 10 0 ACAEHO CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]1O 323231484 573797693 /nfs/dbraw/zinc/79/76/93/573797693.db2.gz ATSZEXWEMZUEMT-BDAKNGLRSA-N 1 3 186.299 0.617 10 0 ACAEHO CC[NH2+][C@H]1CCC[C@@H]1CN 84214371 573797794 /nfs/dbraw/zinc/79/77/94/573797794.db2.gz GMDIQBPMHPCNRP-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCOCC1 84219122 573797825 /nfs/dbraw/zinc/79/78/25/573797825.db2.gz ZEYAEPNTGKJKEP-ONGXEEELSA-N 1 3 198.310 0.882 10 0 ACAEHO O[C@H]1CCC[C@H]1C[NH2+]C1CCNCC1 84225239 573797842 /nfs/dbraw/zinc/79/78/42/573797842.db2.gz XWMKZZRTIRWQCV-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@@H]([C@@H](C)O)[N@H+](C)C1CCNCC1 87140360 573797845 /nfs/dbraw/zinc/79/78/45/573797845.db2.gz SNJBSSOUGCNAOF-DTWKUNHWSA-N 1 3 186.299 0.440 10 0 ACAEHO O[C@H]1CCC[C@H]1CNC1CC[NH2+]CC1 84225239 573797847 /nfs/dbraw/zinc/79/78/47/573797847.db2.gz XWMKZZRTIRWQCV-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@@H]([C@@H](C)O)[N@@H+](C)C1CCNCC1 87140360 573797853 /nfs/dbraw/zinc/79/78/53/573797853.db2.gz SNJBSSOUGCNAOF-DTWKUNHWSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@@H]([C@@H](C)O)N(C)C1CC[NH2+]CC1 87140360 573797858 /nfs/dbraw/zinc/79/78/58/573797858.db2.gz SNJBSSOUGCNAOF-DTWKUNHWSA-N 1 3 186.299 0.440 10 0 ACAEHO c1cc([C@@H]2CNC[C@@]23CC[NH2+]C3)co1 238125521 573797861 /nfs/dbraw/zinc/79/78/61/573797861.db2.gz CKHHTWBFXKEFCU-QWRGUYRKSA-N 1 3 192.262 0.946 10 0 ACAEHO CC[C@@H](CN)[C@@H](CC)[NH2+]C 259189474 573797959 /nfs/dbraw/zinc/79/79/59/573797959.db2.gz KHPBDGCCZHWCCI-JGVFFNPUSA-N 1 3 144.262 0.969 10 0 ACAEHO Cn1nc([C@@H]2CCC[NH2+]2)cc1CN 259191528 573798225 /nfs/dbraw/zinc/79/82/25/573798225.db2.gz KENWMNMMJCTFQP-QMMMGPOBSA-N 1 3 180.255 0.303 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]C1CCOCC1 84219105 573798244 /nfs/dbraw/zinc/79/82/44/573798244.db2.gz ZEYAEPNTGKJKEP-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO CN([C@@H]1CCOC1)[C@@H]1CCC[C@@H]1C[NH3+] 84213614 573798351 /nfs/dbraw/zinc/79/83/51/573798351.db2.gz VHYDBCIRFGKIRB-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCOCC1 84219113 573798495 /nfs/dbraw/zinc/79/84/95/573798495.db2.gz ZEYAEPNTGKJKEP-GXSJLCMTSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]([NH3+])CC(=O)[C@@H]1CCN(C)C1 259190406 573798550 /nfs/dbraw/zinc/79/85/50/573798550.db2.gz NUWGFPCIYSADPU-JGVFFNPUSA-N 1 3 170.256 0.245 10 0 ACAEHO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1CN 84222787 573798620 /nfs/dbraw/zinc/79/86/20/573798620.db2.gz SQDQGOIWAJRAPT-RKDXNWHRSA-N 1 3 186.299 0.474 10 0 ACAEHO c1coc([C@H]2CNC[C@@]23CC[NH2+]C3)c1 238125281 573798637 /nfs/dbraw/zinc/79/86/37/573798637.db2.gz RVCXJGVBBJAMKY-KOLCDFICSA-N 1 3 192.262 0.946 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H](N)C1 87140462 573798846 /nfs/dbraw/zinc/79/88/46/573798846.db2.gz PDXAKUDWLZBPMA-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](N)C1 87140462 573798853 /nfs/dbraw/zinc/79/88/53/573798853.db2.gz PDXAKUDWLZBPMA-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO NC1CC([N@@H+]2CCCCC[C@H]2CO)C1 125139221 573800765 /nfs/dbraw/zinc/80/07/65/573800765.db2.gz OPZDTSHAMJYMSQ-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1CC([N@H+]2CCCCC[C@H]2CO)C1 125139221 573800770 /nfs/dbraw/zinc/80/07/70/573800770.db2.gz OPZDTSHAMJYMSQ-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C1CC(N2CCCCC[C@H]2CO)C1 125139221 573800774 /nfs/dbraw/zinc/80/07/74/573800774.db2.gz OPZDTSHAMJYMSQ-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO CN1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 84248191 573801626 /nfs/dbraw/zinc/80/16/26/573801626.db2.gz MUFSVXMAMFSAOG-SFYZADRCSA-N 1 3 154.257 0.546 10 0 ACAEHO C[N@@H+]1CCC[C@@H](N)C1(C)C 84237361 573801708 /nfs/dbraw/zinc/80/17/08/573801708.db2.gz GXOOLIBQWPFUOT-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO C[N@H+]1CCC[C@@H](N)C1(C)C 84237361 573801711 /nfs/dbraw/zinc/80/17/11/573801711.db2.gz GXOOLIBQWPFUOT-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1OCCN1CCCC1 131253957 573801832 /nfs/dbraw/zinc/80/18/32/573801832.db2.gz CHWSXDDIQUBUGW-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CN(CC1CCC1)C[C@H](N)C[NH3+] 258956077 573808599 /nfs/dbraw/zinc/80/85/99/573808599.db2.gz KRSGKHODBGDKOV-SECBINFHSA-N 1 3 171.288 0.004 10 0 ACAEHO CN(C)CCO[C@H]1CCC[C@@H]1C[NH3+] 84240777 573805390 /nfs/dbraw/zinc/80/53/90/573805390.db2.gz XYQISKIFHVXQLQ-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO [NH3+]C1CCN(CCCCO)CC1 43444758 573805740 /nfs/dbraw/zinc/80/57/40/573805740.db2.gz UIMYLUZKHPRKEE-UHFFFAOYSA-N 1 3 172.272 0.182 10 0 ACAEHO CC(C)[N@@H+](CCCN)CCCCO 43445212 573805758 /nfs/dbraw/zinc/80/57/58/573805758.db2.gz UMQKDHDZPSJEJS-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO CC(C)N(CCC[NH3+])CCCCO 43445212 573805763 /nfs/dbraw/zinc/80/57/63/573805763.db2.gz UMQKDHDZPSJEJS-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO NCc1cnoc1[C@@H]1CC[NH2+]C1 258428121 573805551 /nfs/dbraw/zinc/80/55/51/573805551.db2.gz CRCNEKODWZPULP-ZCFIWIBFSA-N 1 3 167.212 0.210 10 0 ACAEHO CC[C@@H](C[NH3+])C(=O)[C@@H]1CCCN(C)C1 259191749 573805552 /nfs/dbraw/zinc/80/55/52/573805552.db2.gz RETKATRCPGEHFE-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO CCCN(CCC[NH3+])CCCO 43444069 573805573 /nfs/dbraw/zinc/80/55/73/573805573.db2.gz VGKHEPSDERWBLV-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CCC[N@H+](CCCN)CCCO 43444069 573805579 /nfs/dbraw/zinc/80/55/79/573805579.db2.gz VGKHEPSDERWBLV-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CCC[N@@H+](CCCN)CCCO 43444069 573805581 /nfs/dbraw/zinc/80/55/81/573805581.db2.gz VGKHEPSDERWBLV-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CC[N@H+](CCCN)CCCO 43444068 573805622 /nfs/dbraw/zinc/80/56/22/573805622.db2.gz WFDGGUFITBBOEN-UHFFFAOYSA-N 1 3 160.261 0.040 10 0 ACAEHO CC[N@@H+](CCCN)CCCO 43444068 573805624 /nfs/dbraw/zinc/80/56/24/573805624.db2.gz WFDGGUFITBBOEN-UHFFFAOYSA-N 1 3 160.261 0.040 10 0 ACAEHO CC(C)[N@H+](CCCN)CCCCO 43445212 573805754 /nfs/dbraw/zinc/80/57/54/573805754.db2.gz UMQKDHDZPSJEJS-UHFFFAOYSA-N 1 3 188.315 0.818 10 0 ACAEHO C[C@@H]1C[N@H+](CCCO)CCCN1 258132150 573805719 /nfs/dbraw/zinc/80/57/19/573805719.db2.gz MGKCNKMFJQLHOY-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@@H]1C[N@@H+](CCCO)CCCN1 258132150 573805726 /nfs/dbraw/zinc/80/57/26/573805726.db2.gz MGKCNKMFJQLHOY-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CC[C@H](NC[C@@H](C)N(C)C)C1C[NH2+]C1 716193608 573805728 /nfs/dbraw/zinc/80/57/28/573805728.db2.gz LGGMQMZTORVNHJ-KOLCDFICSA-N 1 3 199.342 0.524 10 0 ACAEHO c1cncc(CC[NH2+]CC2CNC2)c1 258956445 573809004 /nfs/dbraw/zinc/80/90/04/573809004.db2.gz RZCVSTUPSUVCNE-UHFFFAOYSA-N 1 3 191.278 0.433 10 0 ACAEHO COC1CCC([NH2+]CCCN)CC1 131282650 573809206 /nfs/dbraw/zinc/80/92/06/573809206.db2.gz WFZJNGCKSIFDNM-UHFFFAOYSA-N 1 3 186.299 0.882 10 0 ACAEHO CCNC[C@@H](O)C[N@H+](C)C1CCC1 127286375 573809210 /nfs/dbraw/zinc/80/92/10/573809210.db2.gz GFGXDRPPRGWIEZ-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO CCNC[C@@H](O)C[N@@H+](C)C1CCC1 127286375 573809214 /nfs/dbraw/zinc/80/92/14/573809214.db2.gz GFGXDRPPRGWIEZ-SNVBAGLBSA-N 1 3 186.299 0.441 10 0 ACAEHO COCCC[NH2+]C(C)(C)CCN 258956031 573808420 /nfs/dbraw/zinc/80/84/20/573808420.db2.gz MDYUPBWBIHVSBV-UHFFFAOYSA-N 1 3 174.288 0.740 10 0 ACAEHO CC(C)N1CCN([C@H](C)CC[NH3+])CC1 41042630 573808530 /nfs/dbraw/zinc/80/85/30/573808530.db2.gz VEFFAPCHOIZAEI-LLVKDONJSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CC[C@@H](c2c[nH]c(CC[NH3+])n2)C1 259195676 573808757 /nfs/dbraw/zinc/80/87/57/573808757.db2.gz XFLNISOOEAVPHL-MRVPVSSYSA-N 1 3 194.282 0.330 10 0 ACAEHO c1cncc(CCNCC2C[NH2+]C2)c1 258956445 573808999 /nfs/dbraw/zinc/80/89/99/573808999.db2.gz RZCVSTUPSUVCNE-UHFFFAOYSA-N 1 3 191.278 0.433 10 0 ACAEHO F[C@@H]1CCN[C@@H]([C@@H]2CC[NH2+]C2)C1 238528826 573809027 /nfs/dbraw/zinc/80/90/27/573809027.db2.gz OEWKDDRUXYBCEG-IWSPIJDZSA-N 1 3 172.247 0.686 10 0 ACAEHO CCNC[C@H](O)C[N@H+](C)C1CCC1 127286207 573811217 /nfs/dbraw/zinc/81/12/17/573811217.db2.gz GFGXDRPPRGWIEZ-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CCNC[C@H](O)C[N@@H+](C)C1CCC1 127286207 573811220 /nfs/dbraw/zinc/81/12/20/573811220.db2.gz GFGXDRPPRGWIEZ-JTQLQIEISA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@H](O)C[N@H+](C)C1CCC1 127287078 573811316 /nfs/dbraw/zinc/81/13/16/573811316.db2.gz GSPPIYPVTCGYQK-VIFPVBQESA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@H](O)C[N@@H+](C)C1CCC1 127287078 573811322 /nfs/dbraw/zinc/81/13/22/573811322.db2.gz GSPPIYPVTCGYQK-VIFPVBQESA-N 1 3 172.272 0.051 10 0 ACAEHO CC(C)(C)[C@@H](N)C1C[NH2+]C1 259196243 573811366 /nfs/dbraw/zinc/81/13/66/573811366.db2.gz FWXPACJDBSHHRJ-ZETCQYMHSA-N 1 3 142.246 0.579 10 0 ACAEHO Cc1ccc(C)c([C@@H]([NH3+])[C@H](O)CN)c1 259622141 573811432 /nfs/dbraw/zinc/81/14/32/573811432.db2.gz XYORPKJDYLSLCJ-GHMZBOCLSA-N 1 3 194.278 0.623 10 0 ACAEHO Cc1cc([C@H]([NH3+])[C@@H](O)CN)ccc1F 259198651 573812589 /nfs/dbraw/zinc/81/25/89/573812589.db2.gz DHXHAKWHKSIQOC-UWVGGRQHSA-N 1 3 198.241 0.454 10 0 ACAEHO Cc1cc([C@@H]([NH3+])[C@@H](O)CN)ccc1F 259198652 573813006 /nfs/dbraw/zinc/81/30/06/573813006.db2.gz DHXHAKWHKSIQOC-VHSXEESVSA-N 1 3 198.241 0.454 10 0 ACAEHO Cc1cc([C@@H]([NH3+])[C@H](O)CN)ccc1F 259198649 573813342 /nfs/dbraw/zinc/81/33/42/573813342.db2.gz DHXHAKWHKSIQOC-NXEZZACHSA-N 1 3 198.241 0.454 10 0 ACAEHO OC[C@H]1C[C@H](CN2CCCCC2)C[NH2+]1 258140698 573813576 /nfs/dbraw/zinc/81/35/76/573813576.db2.gz JQHOEPGDKDQEQS-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](NC[C@@H]1CCC=CO1)C1C[NH2+]C1 686250940 573815597 /nfs/dbraw/zinc/81/55/97/573815597.db2.gz OQAUSHZCQVKKCY-ONGXEEELSA-N 1 3 196.294 0.877 10 0 ACAEHO OC[C@@H]1C[C@@H](CN2CCCCC2)C[NH2+]1 258140692 573815819 /nfs/dbraw/zinc/81/58/19/573815819.db2.gz JQHOEPGDKDQEQS-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CNCc1cc(C[NH3+])ccc1OC 257880015 573814688 /nfs/dbraw/zinc/81/46/88/573814688.db2.gz LTWGJOVKVAGWOQ-UHFFFAOYSA-N 1 3 180.251 0.873 10 0 ACAEHO C[N@H+](CCC(C)(C)C)C[C@H](N)CN 259199704 573814747 /nfs/dbraw/zinc/81/47/47/573814747.db2.gz WUMWLNZJBMDKRV-SECBINFHSA-N 1 3 187.331 0.640 10 0 ACAEHO C[N@@H+](CCC(C)(C)C)C[C@H](N)CN 259199704 573814753 /nfs/dbraw/zinc/81/47/53/573814753.db2.gz WUMWLNZJBMDKRV-SECBINFHSA-N 1 3 187.331 0.640 10 0 ACAEHO CN(CCC(C)(C)C)C[C@H](N)C[NH3+] 259199704 573814755 /nfs/dbraw/zinc/81/47/55/573814755.db2.gz WUMWLNZJBMDKRV-SECBINFHSA-N 1 3 187.331 0.640 10 0 ACAEHO CCC[C@H](C)NC[C@]1(O)CC[NH2+]C1 393591325 573814855 /nfs/dbraw/zinc/81/48/55/573814855.db2.gz QZWRJHBBQBGMDA-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CCC[C@H](N)C1([NH3+])CC1 259200719 573814980 /nfs/dbraw/zinc/81/49/80/573814980.db2.gz DLCFFKASBFLJQZ-LURJTMIESA-N 1 3 128.219 0.605 10 0 ACAEHO C[NH2+]C[C@H](CN)Cc1ccco1 258141242 573815224 /nfs/dbraw/zinc/81/52/24/573815224.db2.gz GXFZUMUIAPKEAY-QMMMGPOBSA-N 1 3 168.240 0.616 10 0 ACAEHO CNC[C@H](C[NH3+])Cc1ccco1 258141242 573815230 /nfs/dbraw/zinc/81/52/30/573815230.db2.gz GXFZUMUIAPKEAY-QMMMGPOBSA-N 1 3 168.240 0.616 10 0 ACAEHO CCNCC1=CCC[NH2+]C1 257880513 573815252 /nfs/dbraw/zinc/81/52/52/573815252.db2.gz FGOJGZMSPIFZPB-UHFFFAOYSA-N 1 3 140.230 0.516 10 0 ACAEHO CC[NH2+]CC1=CCCNC1 257880513 573815260 /nfs/dbraw/zinc/81/52/60/573815260.db2.gz FGOJGZMSPIFZPB-UHFFFAOYSA-N 1 3 140.230 0.516 10 0 ACAEHO CNC[C@@H](C[NH3+])c1ccc(O)cc1 258140923 573815409 /nfs/dbraw/zinc/81/54/09/573815409.db2.gz GTKFZJIHTBLWOE-SECBINFHSA-N 1 3 180.251 0.654 10 0 ACAEHO C[C@H](NCC(C)(C)CO)C1C[NH2+]C1 686243638 573815529 /nfs/dbraw/zinc/81/55/29/573815529.db2.gz RAVFDXCGORLGGJ-QMMMGPOBSA-N 1 3 186.299 0.202 10 0 ACAEHO C[C@H]([NH2+]CC(C)(C)CO)C1CNC1 686243638 573815536 /nfs/dbraw/zinc/81/55/36/573815536.db2.gz RAVFDXCGORLGGJ-QMMMGPOBSA-N 1 3 186.299 0.202 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CNC1 686250940 573815603 /nfs/dbraw/zinc/81/56/03/573815603.db2.gz OQAUSHZCQVKKCY-ONGXEEELSA-N 1 3 196.294 0.877 10 0 ACAEHO [NH3+]CCc1coc([C@H]2CCCN2)n1 257881404 573815613 /nfs/dbraw/zinc/81/56/13/573815613.db2.gz AIUFIJAIBFFPKF-MRVPVSSYSA-N 1 3 181.239 0.600 10 0 ACAEHO C[C@@H](NC[C@@H]1CCC=CO1)C1C[NH2+]C1 686250938 573815644 /nfs/dbraw/zinc/81/56/44/573815644.db2.gz OQAUSHZCQVKKCY-KOLCDFICSA-N 1 3 196.294 0.877 10 0 ACAEHO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CNC1 686250938 573815650 /nfs/dbraw/zinc/81/56/50/573815650.db2.gz OQAUSHZCQVKKCY-KOLCDFICSA-N 1 3 196.294 0.877 10 0 ACAEHO C[C@@H](NC[C@H]1CCC=CO1)C1C[NH2+]C1 686250939 573815733 /nfs/dbraw/zinc/81/57/33/573815733.db2.gz OQAUSHZCQVKKCY-MWLCHTKSSA-N 1 3 196.294 0.877 10 0 ACAEHO C[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CNC1 686250939 573815740 /nfs/dbraw/zinc/81/57/40/573815740.db2.gz OQAUSHZCQVKKCY-MWLCHTKSSA-N 1 3 196.294 0.877 10 0 ACAEHO CNC[C@H](C[NH3+])c1ccc(O)cc1 258140925 573816169 /nfs/dbraw/zinc/81/61/69/573816169.db2.gz GTKFZJIHTBLWOE-VIFPVBQESA-N 1 3 180.251 0.654 10 0 ACAEHO CCC[C@@H](C)NC[C@]1(O)CC[NH2+]C1 393591327 573816398 /nfs/dbraw/zinc/81/63/98/573816398.db2.gz QZWRJHBBQBGMDA-ZJUUUORDSA-N 1 3 186.299 0.489 10 0 ACAEHO N=C(NC(N)=[NH2+])Nc1cccc(N)c1 100723816 573816568 /nfs/dbraw/zinc/81/65/68/573816568.db2.gz AJXBJVQLFFTMJA-UHFFFAOYSA-N 1 3 192.226 0.099 10 0 ACAEHO C[NH2+]C[C@@H](CN)CC(C)C 87187371 573816650 /nfs/dbraw/zinc/81/66/50/573816650.db2.gz RBBVUVMGNDBMLZ-MRVPVSSYSA-N 1 3 144.262 0.827 10 0 ACAEHO C[C@H](NC[C@H]1CCC=CO1)C1C[NH2+]C1 686250937 573816942 /nfs/dbraw/zinc/81/69/42/573816942.db2.gz OQAUSHZCQVKKCY-GXSJLCMTSA-N 1 3 196.294 0.877 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CCC=CO1)C1CNC1 686250937 573816946 /nfs/dbraw/zinc/81/69/46/573816946.db2.gz OQAUSHZCQVKKCY-GXSJLCMTSA-N 1 3 196.294 0.877 10 0 ACAEHO C[C@@H](NCC(C)(C)CO)C1C[NH2+]C1 686243637 573816972 /nfs/dbraw/zinc/81/69/72/573816972.db2.gz RAVFDXCGORLGGJ-MRVPVSSYSA-N 1 3 186.299 0.202 10 0 ACAEHO C[C@@H]([NH2+]CC(C)(C)CO)C1CNC1 686243637 573816976 /nfs/dbraw/zinc/81/69/76/573816976.db2.gz RAVFDXCGORLGGJ-MRVPVSSYSA-N 1 3 186.299 0.202 10 0 ACAEHO CCn1nc2c(c1CN)C[N@@H+](C)CC2 257880215 573817140 /nfs/dbraw/zinc/81/71/40/573817140.db2.gz VHPTUGPIZLZVGR-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO CCn1nc2c(c1CN)C[N@H+](C)CC2 257880215 573817146 /nfs/dbraw/zinc/81/71/46/573817146.db2.gz VHPTUGPIZLZVGR-UHFFFAOYSA-N 1 3 194.282 0.350 10 0 ACAEHO COCC[C@H](CN)C[NH2+]C1CC1 258146768 573817646 /nfs/dbraw/zinc/81/76/46/573817646.db2.gz MSTGWVOKWHEXQQ-MRVPVSSYSA-N 1 3 172.272 0.350 10 0 ACAEHO COCC[C@H](C[NH3+])CNC1CC1 258146768 573817649 /nfs/dbraw/zinc/81/76/49/573817649.db2.gz MSTGWVOKWHEXQQ-MRVPVSSYSA-N 1 3 172.272 0.350 10 0 ACAEHO NCc1cnoc1C[C@@H]1CCCC[NH2+]1 259201590 573817883 /nfs/dbraw/zinc/81/78/83/573817883.db2.gz KUZXVUWHQWPBTJ-VIFPVBQESA-N 1 3 195.266 0.818 10 0 ACAEHO NCc1cnoc1C[C@H]1CCCC[NH2+]1 259201583 573818004 /nfs/dbraw/zinc/81/80/04/573818004.db2.gz KUZXVUWHQWPBTJ-SECBINFHSA-N 1 3 195.266 0.818 10 0 ACAEHO c1cn(CC[NH2+]C2CCNCC2)cn1 41050980 573818159 /nfs/dbraw/zinc/81/81/59/573818159.db2.gz DVLMMWJXJSGTIP-UHFFFAOYSA-N 1 3 194.282 0.225 10 0 ACAEHO c1cn(CCNC2CC[NH2+]CC2)cn1 41050980 573818165 /nfs/dbraw/zinc/81/81/65/573818165.db2.gz DVLMMWJXJSGTIP-UHFFFAOYSA-N 1 3 194.282 0.225 10 0 ACAEHO C[C@H](NC1COC1)C1CC[NH+](C)CC1 87194710 573818860 /nfs/dbraw/zinc/81/88/60/573818860.db2.gz SOQAUVDISNUFAF-VIFPVBQESA-N 1 3 198.310 0.705 10 0 ACAEHO C[NH2+]C[C@H](CN)CC(C)C 87187369 573818553 /nfs/dbraw/zinc/81/85/53/573818553.db2.gz RBBVUVMGNDBMLZ-QMMMGPOBSA-N 1 3 144.262 0.827 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1CN1CCOCC1 84311487 573818571 /nfs/dbraw/zinc/81/85/71/573818571.db2.gz VHIXEDSYSGQYSE-WDEREUQCSA-N 1 3 198.310 0.694 10 0 ACAEHO CN1CCN(C/C=C2\CC[NH2+]C2)CC1 258147321 573818657 /nfs/dbraw/zinc/81/86/57/573818657.db2.gz RRKBJEKRRQIOBL-QDEBKDIKSA-N 1 3 195.310 0.154 10 0 ACAEHO C[NH2+]Cc1cccnc1CN 258435387 573819649 /nfs/dbraw/zinc/81/96/49/573819649.db2.gz DLWXJASASQSHMP-UHFFFAOYSA-N 1 3 151.213 0.260 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1CN1CCOCC1 84311479 573820157 /nfs/dbraw/zinc/82/01/57/573820157.db2.gz VHIXEDSYSGQYSE-MNOVXSKESA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@@H](NC1COC1)C1CC[NH+](C)CC1 87194711 573820435 /nfs/dbraw/zinc/82/04/35/573820435.db2.gz SOQAUVDISNUFAF-SECBINFHSA-N 1 3 198.310 0.705 10 0 ACAEHO COCC[C@@H](CN)C[NH2+]C1CC1 258146772 573821441 /nfs/dbraw/zinc/82/14/41/573821441.db2.gz MSTGWVOKWHEXQQ-QMMMGPOBSA-N 1 3 172.272 0.350 10 0 ACAEHO COCC[C@@H](C[NH3+])CNC1CC1 258146772 573821445 /nfs/dbraw/zinc/82/14/45/573821445.db2.gz MSTGWVOKWHEXQQ-QMMMGPOBSA-N 1 3 172.272 0.350 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1CN1CCOCC1 84311484 573821642 /nfs/dbraw/zinc/82/16/42/573821642.db2.gz VHIXEDSYSGQYSE-GHMZBOCLSA-N 1 3 198.310 0.694 10 0 ACAEHO CC1(C[NH2+][C@H]2CC[C@H](N)C2)COC1 87197384 573822090 /nfs/dbraw/zinc/82/20/90/573822090.db2.gz DAUQSSBALMMLND-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO CC1(CN[C@H]2CC[C@H]([NH3+])C2)COC1 87197384 573822099 /nfs/dbraw/zinc/82/20/99/573822099.db2.gz DAUQSSBALMMLND-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO CC1(C[NH2+][C@@H]2CC[C@@H](N)C2)COC1 87197385 573822230 /nfs/dbraw/zinc/82/22/30/573822230.db2.gz DAUQSSBALMMLND-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC1(CN[C@@H]2CC[C@@H]([NH3+])C2)COC1 87197385 573822236 /nfs/dbraw/zinc/82/22/36/573822236.db2.gz DAUQSSBALMMLND-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO CN(C)CCO[C@@H]1CCC[C@H]1[NH3+] 131383831 573826948 /nfs/dbraw/zinc/82/69/48/573826948.db2.gz CIUAGQPNBDHGIF-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO NC[C@@H](F)C[C@@H]1CC[NH2+]C1 258431807 573827912 /nfs/dbraw/zinc/82/79/12/573827912.db2.gz DBFXBZITJJHPBS-BQBZGAKWSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@H](C[NH3+])N(CCO)C1CCCC1 43513871 573828172 /nfs/dbraw/zinc/82/81/72/573828172.db2.gz JXNZKUIVODPQPX-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO CN(C)CCO[C@@H]1CCC[C@@H]1[NH3+] 131383446 573828376 /nfs/dbraw/zinc/82/83/76/573828376.db2.gz CIUAGQPNBDHGIF-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO CCC(CC)N(CCO)[C@H](C)C[NH3+] 43513859 573828453 /nfs/dbraw/zinc/82/84/53/573828453.db2.gz NSPLLQSWYYNMEJ-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CN(C)[C@@H](CCO)[C@H]1CC[N@H+](C)C1 259573344 573828632 /nfs/dbraw/zinc/82/86/32/573828632.db2.gz PHSLTJBEGPBSJH-UWVGGRQHSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@@H](CCO)[C@H]1CC[N@@H+](C)C1 259573344 573828637 /nfs/dbraw/zinc/82/86/37/573828637.db2.gz PHSLTJBEGPBSJH-UWVGGRQHSA-N 1 3 186.299 0.251 10 0 ACAEHO CNC[C@H]([NH3+])C1CCSCC1 258151109 573828793 /nfs/dbraw/zinc/82/87/93/573828793.db2.gz MYSVCWHNADMAIJ-QMMMGPOBSA-N 1 3 174.313 0.676 10 0 ACAEHO CNC[C@@H]([NH3+])C1CCSCC1 258151106 573828975 /nfs/dbraw/zinc/82/89/75/573828975.db2.gz MYSVCWHNADMAIJ-MRVPVSSYSA-N 1 3 174.313 0.676 10 0 ACAEHO CC[N@@H+]1CC[C@@H](C[C@@H]2NCCO2)C1 258143960 573829034 /nfs/dbraw/zinc/82/90/34/573829034.db2.gz OVPASZWKKHBFLL-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO CC[N@H+]1CC[C@@H](C[C@@H]2NCCO2)C1 258143960 573829040 /nfs/dbraw/zinc/82/90/40/573829040.db2.gz OVPASZWKKHBFLL-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO NCc1cnn(C2CC[NH2+]CC2)c1F 258142053 573833252 /nfs/dbraw/zinc/83/32/52/573833252.db2.gz REDMOUPOHQCBBB-UHFFFAOYSA-N 1 3 198.245 0.405 10 0 ACAEHO CC(C)[NH2+]CC(=O)C1CCN(C)CC1 259206627 573832796 /nfs/dbraw/zinc/83/27/96/573832796.db2.gz OYYFDTALTMFINJ-UHFFFAOYSA-N 1 3 198.310 0.895 10 0 ACAEHO Nc1ccc2[nH]c(NCC[NH3+])nc2c1 87225408 573832821 /nfs/dbraw/zinc/83/28/21/573832821.db2.gz PJOSUDWHYVHPOE-UHFFFAOYSA-N 1 3 191.238 0.516 10 0 ACAEHO CN(C)[C@H](CCO)[C@@H]1CC[N@H+](C)C1 259573340 573832824 /nfs/dbraw/zinc/83/28/24/573832824.db2.gz PHSLTJBEGPBSJH-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@H](CCO)[C@@H]1CC[N@@H+](C)C1 259573340 573832829 /nfs/dbraw/zinc/83/28/29/573832829.db2.gz PHSLTJBEGPBSJH-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO CC(C)[NH+]1CCC(N)(CC(N)=O)CC1 107239550 573833478 /nfs/dbraw/zinc/83/34/78/573833478.db2.gz CTCLNXSSFOKQSJ-UHFFFAOYSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@H]1CC[C@H](O)CN1[C@H](C)C1C[NH2+]C1 686255494 573833500 /nfs/dbraw/zinc/83/35/00/573833500.db2.gz MEYOSNDTFMRPFH-NGZCFLSTSA-N 1 3 198.310 0.440 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@H+]1[C@H](C)C1CNC1 686255494 573833504 /nfs/dbraw/zinc/83/35/04/573833504.db2.gz MEYOSNDTFMRPFH-NGZCFLSTSA-N 1 3 198.310 0.440 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@@H+]1[C@H](C)C1CNC1 686255494 573833509 /nfs/dbraw/zinc/83/35/09/573833509.db2.gz MEYOSNDTFMRPFH-NGZCFLSTSA-N 1 3 198.310 0.440 10 0 ACAEHO CCCN1CCN([C@H](C)C(N)=[NH2+])CC1 43528437 573833663 /nfs/dbraw/zinc/83/36/63/573833663.db2.gz FDNQLKQZFPLPSY-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@@H](C[NH3+])CNCCOC(C)(C)C 308762878 573834393 /nfs/dbraw/zinc/83/43/93/573834393.db2.gz YWABBSBMJAMWIJ-VIFPVBQESA-N 1 3 188.315 0.986 10 0 ACAEHO CC[C@@H](C[C@H]1CN(C)CCN1)[NH+](C)C 259573595 573837284 /nfs/dbraw/zinc/83/72/84/573837284.db2.gz PKHXWTWMSZLMDJ-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CCCN1CCN([C@@H](C)C(N)=[NH2+])CC1 43528436 573836190 /nfs/dbraw/zinc/83/61/90/573836190.db2.gz FDNQLKQZFPLPSY-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO CC(C)C[NH2+]C[C@]1(F)CCNC1 257887250 573836667 /nfs/dbraw/zinc/83/66/67/573836667.db2.gz MSZLIBOJAUIMGD-VIFPVBQESA-N 1 3 174.263 0.934 10 0 ACAEHO C[C@H]1CC[C@H](O)CN1[C@@H](C)C1C[NH2+]C1 686255495 573836871 /nfs/dbraw/zinc/83/68/71/573836871.db2.gz MEYOSNDTFMRPFH-QXEWZRGKSA-N 1 3 198.310 0.440 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@H+]1[C@@H](C)C1CNC1 686255495 573836879 /nfs/dbraw/zinc/83/68/79/573836879.db2.gz MEYOSNDTFMRPFH-QXEWZRGKSA-N 1 3 198.310 0.440 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@@H+]1[C@@H](C)C1CNC1 686255495 573836886 /nfs/dbraw/zinc/83/68/86/573836886.db2.gz MEYOSNDTFMRPFH-QXEWZRGKSA-N 1 3 198.310 0.440 10 0 ACAEHO C[C@H]1C[C@H](N(C)[C@@H]2CC[NH2+]C2)CN1C 127345897 573837018 /nfs/dbraw/zinc/83/70/18/573837018.db2.gz SVLHKSCNSSSJBY-AXFHLTTASA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@H]1C[C@@H](N(C)[C@@H]2CC[NH2+]C2)CN1C 127346356 573837050 /nfs/dbraw/zinc/83/70/50/573837050.db2.gz SVLHKSCNSSSJBY-HBNTYKKESA-N 1 3 197.326 0.373 10 0 ACAEHO CC[C@H](C[C@@H]1CN(C)CCN1)[NH+](C)C 259573590 573837053 /nfs/dbraw/zinc/83/70/53/573837053.db2.gz PKHXWTWMSZLMDJ-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)[C@H](CO)[N@@H+]1CCC[C@@H](N)C1 238155000 573837172 /nfs/dbraw/zinc/83/71/72/573837172.db2.gz BEXJQBMZWXRYBJ-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@H](CO)[N@H+]1CCC[C@@H](N)C1 238155000 573837176 /nfs/dbraw/zinc/83/71/76/573837176.db2.gz BEXJQBMZWXRYBJ-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H](C[C@@H]1CN(C)CCN1)[NH+](C)C 259573593 573837247 /nfs/dbraw/zinc/83/72/47/573837247.db2.gz PKHXWTWMSZLMDJ-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](C[NH3+])N1CCC[C@@H]1CO 43539985 573838127 /nfs/dbraw/zinc/83/81/27/573838127.db2.gz ALZYHZHJBKXAPD-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](C[NH3+])CNCCOC(C)(C)C 308762877 573838431 /nfs/dbraw/zinc/83/84/31/573838431.db2.gz YWABBSBMJAMWIJ-SECBINFHSA-N 1 3 188.315 0.986 10 0 ACAEHO CCCNC[C@@]1(O)CCC[NH2+]C1 257887301 573840762 /nfs/dbraw/zinc/84/07/62/573840762.db2.gz MVBSFVPZGJGHSJ-VIFPVBQESA-N 1 3 172.272 0.101 10 0 ACAEHO CC[C@@H](C[NH3+])N1CCC[C@@H]1CO 43539984 573841338 /nfs/dbraw/zinc/84/13/38/573841338.db2.gz ALZYHZHJBKXAPD-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO c1cc(CCNC[C@H]2CC[NH2+]C2)c[nH]1 258968310 573841472 /nfs/dbraw/zinc/84/14/72/573841472.db2.gz SZORBLGMUBIATI-LLVKDONJSA-N 1 3 193.294 0.756 10 0 ACAEHO C[NH2+]CC(C)(C)N[C@@H]1CCCN(C)C1 258966941 573842950 /nfs/dbraw/zinc/84/29/50/573842950.db2.gz YKKZZNTXJGQXMX-SNVBAGLBSA-N 1 3 199.342 0.668 10 0 ACAEHO CN1CCC([C@@]2(O)CC[NH2+]C2)CC1 84344961 573843668 /nfs/dbraw/zinc/84/36/68/573843668.db2.gz USMAGHHMKMKHEA-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO CN1CCC[C@@H](c2c[nH]c(N)[nH+]2)C1 259211530 573843450 /nfs/dbraw/zinc/84/34/50/573843450.db2.gz YKHJGYBUJAKVQQ-SSDOTTSWSA-N 1 3 180.255 0.801 10 0 ACAEHO C[N@@H+]1CCC[C@@H](c2c[nH]c(N)n2)C1 259211530 573843455 /nfs/dbraw/zinc/84/34/55/573843455.db2.gz YKHJGYBUJAKVQQ-SSDOTTSWSA-N 1 3 180.255 0.801 10 0 ACAEHO C[N@H+]1CCC[C@@H](c2c[nH]c(N)n2)C1 259211530 573843461 /nfs/dbraw/zinc/84/34/61/573843461.db2.gz YKHJGYBUJAKVQQ-SSDOTTSWSA-N 1 3 180.255 0.801 10 0 ACAEHO CN[C@H](C1CCCC1)N1CC[NH2+]CC1 259209906 573843934 /nfs/dbraw/zinc/84/39/34/573843934.db2.gz FTUIIDOWTILQRM-NSHDSACASA-N 1 3 197.326 0.627 10 0 ACAEHO CNCc1cnc([C@@H]2CC[N@H+](C)C2)o1 257886051 573843784 /nfs/dbraw/zinc/84/37/84/573843784.db2.gz AQRVGANTLSXFNO-MRVPVSSYSA-N 1 3 195.266 0.813 10 0 ACAEHO CNCc1cnc([C@@H]2CC[N@@H+](C)C2)o1 257886051 573843793 /nfs/dbraw/zinc/84/37/93/573843793.db2.gz AQRVGANTLSXFNO-MRVPVSSYSA-N 1 3 195.266 0.813 10 0 ACAEHO CCC1(C[NH2+][C@@H](C)C2CNC2)COC1 686251022 573844777 /nfs/dbraw/zinc/84/47/77/573844777.db2.gz RCVYIFLBFMYEAP-VIFPVBQESA-N 1 3 198.310 0.611 10 0 ACAEHO CN[C@@H](C1CCCC1)N1CC[NH2+]CC1 259209900 573844779 /nfs/dbraw/zinc/84/47/79/573844779.db2.gz FTUIIDOWTILQRM-LLVKDONJSA-N 1 3 197.326 0.627 10 0 ACAEHO CCC1(CN[C@@H](C)C2C[NH2+]C2)COC1 686251022 573844787 /nfs/dbraw/zinc/84/47/87/573844787.db2.gz RCVYIFLBFMYEAP-VIFPVBQESA-N 1 3 198.310 0.611 10 0 ACAEHO CCN1CCC[C@H]1N1CC[NH2+]CC1 258160318 573845066 /nfs/dbraw/zinc/84/50/66/573845066.db2.gz NQADFPAXRSTANZ-SNVBAGLBSA-N 1 3 183.299 0.333 10 0 ACAEHO CC[N@@H+]1CCC[C@](CNC)(OC)C1 257888147 573845270 /nfs/dbraw/zinc/84/52/70/573845270.db2.gz MYHDHUOZQPZAGU-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC[N@H+]1CCC[C@](CNC)(OC)C1 257888147 573845274 /nfs/dbraw/zinc/84/52/74/573845274.db2.gz MYHDHUOZQPZAGU-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@]1(C[NH2+]C2CCNCC2)CCCO1 87233926 573848794 /nfs/dbraw/zinc/84/87/94/573848794.db2.gz NGOURAVKPAGTOK-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO C[C@@H]1C[NH2+]CCN([C@@H]2CCCCN2)C1 258160430 573848643 /nfs/dbraw/zinc/84/86/43/573848643.db2.gz NRNFNLMBMWHPBZ-GHMZBOCLSA-N 1 3 197.326 0.627 10 0 ACAEHO CCN1CCC[C@@H]1N1CC[NH2+]CC1 258160315 573847964 /nfs/dbraw/zinc/84/79/64/573847964.db2.gz NQADFPAXRSTANZ-JTQLQIEISA-N 1 3 183.299 0.333 10 0 ACAEHO C[C@@]1(CNC2CC[NH2+]CC2)CCCO1 87233926 573848798 /nfs/dbraw/zinc/84/87/98/573848798.db2.gz NGOURAVKPAGTOK-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO CC(C)=CCN1CCC(O)(C[NH3+])CC1 238151381 573849994 /nfs/dbraw/zinc/84/99/94/573849994.db2.gz WHRYFYUIGMJGDE-UHFFFAOYSA-N 1 3 198.310 0.738 10 0 ACAEHO C[C@]1(C[N@@H+]2CC[C@H](N)C2)CCCO1 87254430 573850587 /nfs/dbraw/zinc/85/05/87/573850587.db2.gz RSGCVQPNDHVJGJ-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@]1(C[N@H+]2CC[C@H](N)C2)CCCO1 87254430 573850593 /nfs/dbraw/zinc/85/05/93/573850593.db2.gz RSGCVQPNDHVJGJ-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO CC(C)[C@@H](CO)[N@@H+]1CCC[C@@H](N)C1 238151910 573851853 /nfs/dbraw/zinc/85/18/53/573851853.db2.gz BEXJQBMZWXRYBJ-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](CO)[N@H+]1CCC[C@@H](N)C1 238151910 573851860 /nfs/dbraw/zinc/85/18/60/573851860.db2.gz BEXJQBMZWXRYBJ-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC1(C)CCN(CC[C@H]([NH3+])CO)C1 87259851 573851876 /nfs/dbraw/zinc/85/18/76/573851876.db2.gz SHLYXBXJDJLABT-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](O)CN 259212105 573852281 /nfs/dbraw/zinc/85/22/81/573852281.db2.gz FUNSIGAIIBLGDK-MNOVXSKESA-N 1 3 194.278 0.575 10 0 ACAEHO C[C@H]([NH2+]CCc1cn[nH]c1)C1CNC1 686251187 573854339 /nfs/dbraw/zinc/85/43/39/573854339.db2.gz WAJOLYOATMOYDI-QMMMGPOBSA-N 1 3 194.282 0.150 10 0 ACAEHO COC[C@H](C[NH3+])N[C@@H]1CC[C@H](C)C1 393565464 573853667 /nfs/dbraw/zinc/85/36/67/573853667.db2.gz JHZBMJVKTZCLRF-AEJSXWLSSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+][C@H](c1ccc(C)cc1)[C@H](O)CN 259212102 573853727 /nfs/dbraw/zinc/85/37/27/573853727.db2.gz FUNSIGAIIBLGDK-GHMZBOCLSA-N 1 3 194.278 0.575 10 0 ACAEHO C[C@H]([NH3+])CCC(=O)[C@@H]1CCN(C)C1 259211877 573853818 /nfs/dbraw/zinc/85/38/18/573853818.db2.gz PJZUSPGPDJMENG-DTWKUNHWSA-N 1 3 184.283 0.635 10 0 ACAEHO CC(C)[C@@]1(N)CC[N@H+](C)C1 84327713 573853830 /nfs/dbraw/zinc/85/38/30/573853830.db2.gz CWOABVDHUGONSM-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)[C@@]1(N)CC[N@@H+](C)C1 84327713 573853836 /nfs/dbraw/zinc/85/38/36/573853836.db2.gz CWOABVDHUGONSM-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@]1(C[N@@H+]2CC[C@H](N)C2)CCCO1 87254432 573853985 /nfs/dbraw/zinc/85/39/85/573853985.db2.gz RSGCVQPNDHVJGJ-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@]1(C[N@H+]2CC[C@H](N)C2)CCCO1 87254432 573853991 /nfs/dbraw/zinc/85/39/91/573853991.db2.gz RSGCVQPNDHVJGJ-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@H]([NH3+])CCC(=O)[C@H]1CCN(C)C1 259211873 573854074 /nfs/dbraw/zinc/85/40/74/573854074.db2.gz PJZUSPGPDJMENG-BDAKNGLRSA-N 1 3 184.283 0.635 10 0 ACAEHO CC(C)[C@]1(N)CC[N@H+](C)C1 84327712 573854097 /nfs/dbraw/zinc/85/40/97/573854097.db2.gz CWOABVDHUGONSM-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)[C@]1(N)CC[N@@H+](C)C1 84327712 573854100 /nfs/dbraw/zinc/85/41/00/573854100.db2.gz CWOABVDHUGONSM-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](NCCc1cn[nH]c1)C1C[NH2+]C1 686251187 573854330 /nfs/dbraw/zinc/85/43/30/573854330.db2.gz WAJOLYOATMOYDI-QMMMGPOBSA-N 1 3 194.282 0.150 10 0 ACAEHO C[C@@H](NCCc1cn[nH]c1)C1C[NH2+]C1 686251186 573855406 /nfs/dbraw/zinc/85/54/06/573855406.db2.gz WAJOLYOATMOYDI-MRVPVSSYSA-N 1 3 194.282 0.150 10 0 ACAEHO C[C@@H]([NH2+]CCc1cn[nH]c1)C1CNC1 686251186 573855410 /nfs/dbraw/zinc/85/54/10/573855410.db2.gz WAJOLYOATMOYDI-MRVPVSSYSA-N 1 3 194.282 0.150 10 0 ACAEHO COC[C@H](C[NH3+])N[C@H]1CC[C@@H](C)C1 393565472 573855505 /nfs/dbraw/zinc/85/55/05/573855505.db2.gz JHZBMJVKTZCLRF-UTLUCORTSA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](O)CN 259212108 573855755 /nfs/dbraw/zinc/85/57/55/573855755.db2.gz FUNSIGAIIBLGDK-QWRGUYRKSA-N 1 3 194.278 0.575 10 0 ACAEHO C[C@@]1(CN2CC[C@H](C[NH3+])C2)CCCO1 87254682 573856083 /nfs/dbraw/zinc/85/60/83/573856083.db2.gz TYQHDXCEXNUOTF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[N@@H+]2CC[C@H](CN)C2)CCCO1 87254682 573856087 /nfs/dbraw/zinc/85/60/87/573856087.db2.gz TYQHDXCEXNUOTF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[N@H+]2CC[C@H](CN)C2)CCCO1 87254682 573856094 /nfs/dbraw/zinc/85/60/94/573856094.db2.gz TYQHDXCEXNUOTF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO CN1CCC([C@]2(O)CC[N@H+](C)C2)CC1 84362343 573857770 /nfs/dbraw/zinc/85/77/70/573857770.db2.gz NCYJCMQTCCRXNM-NSHDSACASA-N 1 3 198.310 0.395 10 0 ACAEHO CN1CCC([C@]2(O)CC[N@@H+](C)C2)CC1 84362343 573857789 /nfs/dbraw/zinc/85/77/89/573857789.db2.gz NCYJCMQTCCRXNM-NSHDSACASA-N 1 3 198.310 0.395 10 0 ACAEHO CC(C)[C@@H]1[NH2+]CCC[C@@H]1CN 238167778 573857910 /nfs/dbraw/zinc/85/79/10/573857910.db2.gz ZZDZSMAINHTBGB-BDAKNGLRSA-N 1 3 156.273 0.969 10 0 ACAEHO c1cc2c(c[nH+]1)NC[C@@H]1CNCCN21 87262628 573859800 /nfs/dbraw/zinc/85/98/00/573859800.db2.gz FZXOJXIETHSRRV-QMMMGPOBSA-N 1 3 190.250 0.285 10 0 ACAEHO CC[C@H]([NH2+]C)[C@@H]1CCN(C)C1 84329097 573860265 /nfs/dbraw/zinc/86/02/65/573860265.db2.gz XIVMHCAWCLKNQK-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@@H]([NH2+]C)[C@@H]1CCN(C)C1 84329099 573860517 /nfs/dbraw/zinc/86/05/17/573860517.db2.gz XIVMHCAWCLKNQK-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO OC[C@@H]1C[C@H]([C@H]2CCCCN2)C[NH2+]1 258156488 573860626 /nfs/dbraw/zinc/86/06/26/573860626.db2.gz KSIDSBRTHAXLEK-LPEHRKFASA-N 1 3 184.283 0.099 10 0 ACAEHO CC(C)[C@@H]1[NH2+]CCC[C@H]1CN 238167879 573860664 /nfs/dbraw/zinc/86/06/64/573860664.db2.gz ZZDZSMAINHTBGB-IUCAKERBSA-N 1 3 156.273 0.969 10 0 ACAEHO CN1CCC[C@H](n2cc(C[NH3+])cn2)C1 257890843 573860726 /nfs/dbraw/zinc/86/07/26/573860726.db2.gz XBZZSHMRIIFZRJ-JTQLQIEISA-N 1 3 194.282 0.609 10 0 ACAEHO CN1CCC[C@@H](n2cc(C[NH3+])cn2)C1 257890846 573863422 /nfs/dbraw/zinc/86/34/22/573863422.db2.gz XBZZSHMRIIFZRJ-SNVBAGLBSA-N 1 3 194.282 0.609 10 0 ACAEHO NCc1cnoc1[C@H]1CCC[NH2+]C1 257891210 573862512 /nfs/dbraw/zinc/86/25/12/573862512.db2.gz NMBJTHNKKDCFSL-ZETCQYMHSA-N 1 3 181.239 0.600 10 0 ACAEHO C[C@H](N[C@@H]1CCOC1(C)C)C1C[NH2+]C1 686251064 573862591 /nfs/dbraw/zinc/86/25/91/573862591.db2.gz CPDNBFQPFXFIBR-WCBMZHEXSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCOC1(C)C)C1CNC1 686251064 573862596 /nfs/dbraw/zinc/86/25/96/573862596.db2.gz CPDNBFQPFXFIBR-WCBMZHEXSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H](N[C@H]1CCCN(C)C1)C1C[NH2+]C1 686239337 573862807 /nfs/dbraw/zinc/86/28/07/573862807.db2.gz VRFGKPKTFXKMRD-KOLCDFICSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]([NH2+][C@H]1CCOC1(C)C)C1CNC1 686251063 573863240 /nfs/dbraw/zinc/86/32/40/573863240.db2.gz CPDNBFQPFXFIBR-SCZZXKLOSA-N 1 3 198.310 0.751 10 0 ACAEHO CCN(CC)[C@@H](C[NH3+])[C@@H]1CCCCN1 214991615 573863216 /nfs/dbraw/zinc/86/32/16/573863216.db2.gz QLQSGQDFNMVBQZ-QWRGUYRKSA-N 1 3 199.342 0.798 10 0 ACAEHO C[C@@H](N[C@H]1CCOC1(C)C)C1C[NH2+]C1 686251063 573863235 /nfs/dbraw/zinc/86/32/35/573863235.db2.gz CPDNBFQPFXFIBR-SCZZXKLOSA-N 1 3 198.310 0.751 10 0 ACAEHO [NH3+]CCc1cnc([C@@H]2CCCN2)o1 258164942 573863626 /nfs/dbraw/zinc/86/36/26/573863626.db2.gz RFHKZWNDFJGJOV-QMMMGPOBSA-N 1 3 181.239 0.600 10 0 ACAEHO CC[NH2+]CC[C@@H]1CN(C)CCN1C 393566478 573863638 /nfs/dbraw/zinc/86/36/38/573863638.db2.gz LTISTYGALJNCFE-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@@H](NCCN1CC=CC1)C1C[NH2+]C1 686251163 573864124 /nfs/dbraw/zinc/86/41/24/573864124.db2.gz UQTQBAXFAATWFL-SNVBAGLBSA-N 1 3 195.310 0.056 10 0 ACAEHO CCN(CC)[C@H](CN)[C@@H]1CCC[N@@H+]1C 214992193 573863947 /nfs/dbraw/zinc/86/39/47/573863947.db2.gz WXIPNGCWIXKUJG-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC)[C@H](CN)[C@@H]1CCC[N@H+]1C 214992193 573863952 /nfs/dbraw/zinc/86/39/52/573863952.db2.gz WXIPNGCWIXKUJG-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC)[C@@H](CN)[C@@H]1CCC[N@@H+]1C 214992147 573864066 /nfs/dbraw/zinc/86/40/66/573864066.db2.gz WXIPNGCWIXKUJG-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN(CC)[C@@H](CN)[C@@H]1CCC[N@H+]1C 214992147 573864071 /nfs/dbraw/zinc/86/40/71/573864071.db2.gz WXIPNGCWIXKUJG-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO COC[C@@H](C[NH3+])NC[C@H](C)C1CC1 393566588 573867661 /nfs/dbraw/zinc/86/76/61/573867661.db2.gz MRHINFHIXFHOOU-WCBMZHEXSA-N 1 3 186.299 0.596 10 0 ACAEHO COCCN(C(C)C)C1CC([NH3+])C1 131506919 573867674 /nfs/dbraw/zinc/86/76/74/573867674.db2.gz KTAHHCKAKYKMSU-UHFFFAOYSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)[C@@H]1CCN(C)C1 258974690 573868035 /nfs/dbraw/zinc/86/80/35/573868035.db2.gz LPOQTDUGCZQFJA-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)[C@H]1CCN(C)C1 258974694 573868244 /nfs/dbraw/zinc/86/82/44/573868244.db2.gz LPOQTDUGCZQFJA-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 84384435 573868333 /nfs/dbraw/zinc/86/83/33/573868333.db2.gz NRNADPKHJNNFQK-NSHDSACASA-N 1 3 197.326 0.233 10 0 ACAEHO COC[C@H](C[NH3+])NC[C@@H](C)C1CC1 393566586 573868869 /nfs/dbraw/zinc/86/88/69/573868869.db2.gz MRHINFHIXFHOOU-SCZZXKLOSA-N 1 3 186.299 0.596 10 0 ACAEHO CN(C)CCO[C@@H]1CCCC[C@@H]1[NH3+] 131522518 573868918 /nfs/dbraw/zinc/86/89/18/573868918.db2.gz VTFHGCYXTWUPMB-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C1CC(C[NH2+]CC2CNC2)CCO1 258974051 573868951 /nfs/dbraw/zinc/86/89/51/573868951.db2.gz UIXSMYGQTNIDQO-UHFFFAOYSA-N 1 3 184.283 0.222 10 0 ACAEHO F[C@H]1CNC[C@H](C2C[NH2+]C2)C1 238549706 573869335 /nfs/dbraw/zinc/86/93/35/573869335.db2.gz ORVPAKFDEZXTTP-HTRCEHHLSA-N 1 3 158.220 0.153 10 0 ACAEHO CN(C)CCO[C@H]1CCCC[C@H]1[NH3+] 131523165 573870873 /nfs/dbraw/zinc/87/08/73/573870873.db2.gz VTFHGCYXTWUPMB-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CN(C)CCO[C@H]1CCCC[C@@H]1[NH3+] 131522732 573870396 /nfs/dbraw/zinc/87/03/96/573870396.db2.gz VTFHGCYXTWUPMB-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO F[C@H]1CNC[C@H](C2CC[NH2+]CC2)C1 238549687 573871953 /nfs/dbraw/zinc/87/19/53/573871953.db2.gz HWNLCGRQIXPIHI-NXEZZACHSA-N 1 3 186.274 0.934 10 0 ACAEHO F[C@H]1CNC[C@@H](C2CC[NH2+]CC2)C1 238549617 573873195 /nfs/dbraw/zinc/87/31/95/573873195.db2.gz HWNLCGRQIXPIHI-VHSXEESVSA-N 1 3 186.274 0.934 10 0 ACAEHO CCN1CCC[C@H](O[C@H]2CC[NH2+]C2)C1 109689258 573873291 /nfs/dbraw/zinc/87/32/91/573873291.db2.gz HGPFABWOKQKAES-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH2+][C@H](C)CCN1CCCN(C)CC1 43818257 573873586 /nfs/dbraw/zinc/87/35/86/573873586.db2.gz RKZBMECGZLGESD-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@H](CCO)[N@@H+]1CC[C@H](CN)C1 215004781 573873630 /nfs/dbraw/zinc/87/36/30/573873630.db2.gz UILJMCYLZPNOTN-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CCO)[N@H+]1CC[C@H](CN)C1 215004781 573873631 /nfs/dbraw/zinc/87/36/31/573873631.db2.gz UILJMCYLZPNOTN-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CCC([NH2+]C(C)(C)CCN)CC1 258981702 573878764 /nfs/dbraw/zinc/87/87/64/573878764.db2.gz ZVVABHVJYGTFNH-UHFFFAOYSA-N 1 3 199.342 0.798 10 0 ACAEHO CN1CC[C@@H](N(C)CC2(C[NH3+])CC2)C1 258980422 573876601 /nfs/dbraw/zinc/87/66/01/573876601.db2.gz UOGJTVHAIVVHJB-SNVBAGLBSA-N 1 3 197.326 0.361 10 0 ACAEHO CCN1CCC[C@H](NC2C[NH2+]C2)C1 84418520 573876732 /nfs/dbraw/zinc/87/67/32/573876732.db2.gz TYPDEEBOYTVPMC-VIFPVBQESA-N 1 3 183.299 0.032 10 0 ACAEHO C[C@H](CN1CCCCC1)NC1C[NH2+]C1 84418149 573876768 /nfs/dbraw/zinc/87/67/68/573876768.db2.gz DALFNTCGTWTKLY-SNVBAGLBSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCCC[C@@H]1CNC1C[NH2+]C1 84418619 573876993 /nfs/dbraw/zinc/87/69/93/573876993.db2.gz XOZYKKUBENHJOV-SNVBAGLBSA-N 1 3 183.299 0.032 10 0 ACAEHO CC(C)[C@H]1NCCc2[nH+]c(N)[nH]c21 238176329 573879094 /nfs/dbraw/zinc/87/90/94/573879094.db2.gz MWCNKCBFHHVTLZ-SSDOTTSWSA-N 1 3 180.255 0.835 10 0 ACAEHO CN[C@H](CC(C)C)N1CC[NH2+]CC1 259578806 573878784 /nfs/dbraw/zinc/87/87/84/573878784.db2.gz XBQHJGJBDIQREN-JTQLQIEISA-N 1 3 185.315 0.483 10 0 ACAEHO CN1CCCC[C@H]1CNC1C[NH2+]C1 84418620 573878864 /nfs/dbraw/zinc/87/88/64/573878864.db2.gz XOZYKKUBENHJOV-JTQLQIEISA-N 1 3 183.299 0.032 10 0 ACAEHO CC(C)C[C@H](CNC1C[NH2+]C1)N(C)C 84416660 573878928 /nfs/dbraw/zinc/87/89/28/573878928.db2.gz QPDLLTAIKODFFA-LLVKDONJSA-N 1 3 199.342 0.524 10 0 ACAEHO CC(C)(CCN)[NH2+]C[C@H]1CCCO1 258981366 573880202 /nfs/dbraw/zinc/88/02/02/573880202.db2.gz OQPUEXJGKPTNLD-SECBINFHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)(CC[NH3+])NC[C@H]1CCCO1 258981366 573880206 /nfs/dbraw/zinc/88/02/06/573880206.db2.gz OQPUEXJGKPTNLD-SECBINFHSA-N 1 3 186.299 0.882 10 0 ACAEHO [NH3+]C[C@H]1CCCC[C@H]1C1NCCN1 238552909 573881338 /nfs/dbraw/zinc/88/13/38/573881338.db2.gz JMUAHRLVZWKYBW-RKDXNWHRSA-N 1 3 183.299 0.270 10 0 ACAEHO [NH3+]C[C@H]1CCCC[C@@H]1C1NCCN1 238552594 573881409 /nfs/dbraw/zinc/88/14/09/573881409.db2.gz JMUAHRLVZWKYBW-BDAKNGLRSA-N 1 3 183.299 0.270 10 0 ACAEHO C[C@H](C(N)=[NH2+])N1CCC[C@H](N(C)C)C1 84419962 573882928 /nfs/dbraw/zinc/88/29/28/573882928.db2.gz XMAZLGIIPSTAKA-BDAKNGLRSA-N 1 3 198.314 0.337 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(O)C1 84422394 573882425 /nfs/dbraw/zinc/88/24/25/573882425.db2.gz ZXWJPTALPNEODN-NFTFJBJSSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1NC1CC(O)C1 84422394 573882432 /nfs/dbraw/zinc/88/24/32/573882432.db2.gz ZXWJPTALPNEODN-NFTFJBJSSA-N 1 3 184.283 0.227 10 0 ACAEHO NCc1cnc(C[C@@H]2CCC[NH2+]2)s1 258172095 573883170 /nfs/dbraw/zinc/88/31/70/573883170.db2.gz RMNAHZZAVACBDP-ZETCQYMHSA-N 1 3 197.307 0.896 10 0 ACAEHO [NH3+]CCCC12CCCNC1NCCC2 238555434 573885137 /nfs/dbraw/zinc/88/51/37/573885137.db2.gz KGHMATRPIIZLSP-UHFFFAOYSA-N 1 3 197.326 0.805 10 0 ACAEHO CCCN1C[C@@H]2C[C@@H]2[C@H]1C[NH3+] 258445513 573889283 /nfs/dbraw/zinc/88/92/83/573889283.db2.gz FKQWZHGOMJZRSX-XHNCKOQMSA-N 1 3 154.257 0.675 10 0 ACAEHO CC[NH2+]C1[C@@H](C)CNC[C@@H]1C 102252096 573889248 /nfs/dbraw/zinc/88/92/48/573889248.db2.gz QDZDQKRSBWFIAK-YUMQZZPRSA-N 1 3 156.273 0.840 10 0 ACAEHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(O)C1 84442744 573887565 /nfs/dbraw/zinc/88/75/65/573887565.db2.gz PHIQXCSIBYRWKL-SFXRXQKFSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C[C@H]1CCCC[C@@H]1NC1CC(O)C1 84442744 573887568 /nfs/dbraw/zinc/88/75/68/573887568.db2.gz PHIQXCSIBYRWKL-SFXRXQKFSA-N 1 3 198.310 0.617 10 0 ACAEHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(O)C1 84442742 573889352 /nfs/dbraw/zinc/88/93/52/573889352.db2.gz PHIQXCSIBYRWKL-IDWGSYCQSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C[C@@H]1CCCC[C@H]1NC1CC(O)C1 84442742 573889354 /nfs/dbraw/zinc/88/93/54/573889354.db2.gz PHIQXCSIBYRWKL-IDWGSYCQSA-N 1 3 198.310 0.617 10 0 ACAEHO CC(C)(O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238179386 573887782 /nfs/dbraw/zinc/88/77/82/573887782.db2.gz DXWHXXQFELLSSF-OWUUHHOZSA-N 1 3 198.310 0.711 10 0 ACAEHO CC(C)(O)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238179386 573887790 /nfs/dbraw/zinc/88/77/90/573887790.db2.gz DXWHXXQFELLSSF-OWUUHHOZSA-N 1 3 198.310 0.711 10 0 ACAEHO C[NH2+]CC/C=C\CN(C)C 258172866 573888371 /nfs/dbraw/zinc/88/83/71/573888371.db2.gz LPPWKXHIKVARBN-XQRVVYSFSA-N 1 3 142.246 0.714 10 0 ACAEHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC(O)C1 84442745 573888500 /nfs/dbraw/zinc/88/85/00/573888500.db2.gz PHIQXCSIBYRWKL-AGVGLQIMSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C[C@H]1CCCC[C@H]1NC1CC(O)C1 84442745 573888506 /nfs/dbraw/zinc/88/85/06/573888506.db2.gz PHIQXCSIBYRWKL-AGVGLQIMSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[NH2+]C1[C@H](C)CNC[C@H]1C 102252103 573889207 /nfs/dbraw/zinc/88/92/07/573889207.db2.gz QDZDQKRSBWFIAK-HTQZYQBOSA-N 1 3 156.273 0.840 10 0 ACAEHO CC(C)[N@H+](C)CC[C@@H]1CN(C)CCN1 258987691 573893128 /nfs/dbraw/zinc/89/31/28/573893128.db2.gz VHHGYNIVYFRONK-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)[N@@H+](C)CC[C@@H]1CN(C)CCN1 258987691 573893132 /nfs/dbraw/zinc/89/31/32/573893132.db2.gz VHHGYNIVYFRONK-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H]1CN(C)CCCN1C 125386832 573892077 /nfs/dbraw/zinc/89/20/77/573892077.db2.gz YJCKSFJMZZYFCF-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C(C)(C)CNCN)C1 258986007 573892189 /nfs/dbraw/zinc/89/21/89/573892189.db2.gz YOHXQNZWOOWKAW-SNVBAGLBSA-N 1 3 199.342 0.860 10 0 ACAEHO C[N@H+]1CCC[C@@H](C(C)(C)CNCN)C1 258986007 573892190 /nfs/dbraw/zinc/89/21/90/573892190.db2.gz YOHXQNZWOOWKAW-SNVBAGLBSA-N 1 3 199.342 0.860 10 0 ACAEHO Cc1noc([C@@H]2CCC[NH2+]2)c1CN 257894710 573892420 /nfs/dbraw/zinc/89/24/20/573892420.db2.gz NXOPFASFXGHQCK-QMMMGPOBSA-N 1 3 181.239 0.866 10 0 ACAEHO CC[C@@H]([NH3+])[C@H](C)CN 80317083 573892648 /nfs/dbraw/zinc/89/26/48/573892648.db2.gz PGXBLKMCNUKABP-PHDIDXHHSA-N 1 3 116.208 0.319 10 0 ACAEHO Cn1nc(C2CC[NH2+]CC2)cc1CN 259223785 573892728 /nfs/dbraw/zinc/89/27/28/573892728.db2.gz LWWGUNMBEBBBEO-UHFFFAOYSA-N 1 3 194.282 0.346 10 0 ACAEHO CC[C@H]([NH3+])[C@H](C)CN 80317081 573892959 /nfs/dbraw/zinc/89/29/59/573892959.db2.gz PGXBLKMCNUKABP-RITPCOANSA-N 1 3 116.208 0.319 10 0 ACAEHO CC(C)[N@H+](C)CC[C@H]1CN(C)CCN1 258987695 573893006 /nfs/dbraw/zinc/89/30/06/573893006.db2.gz VHHGYNIVYFRONK-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)[N@@H+](C)CC[C@H]1CN(C)CCN1 258987695 573893008 /nfs/dbraw/zinc/89/30/08/573893008.db2.gz VHHGYNIVYFRONK-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO CN1CC[C@H](NCC2(C[NH3+])CC2)C1 258987631 573893044 /nfs/dbraw/zinc/89/30/44/573893044.db2.gz VGKDBEADRYGBNZ-VIFPVBQESA-N 1 3 183.299 0.019 10 0 ACAEHO CN1CC[C@H]([NH2+]CC2(CN)CC2)C1 258987631 573893048 /nfs/dbraw/zinc/89/30/48/573893048.db2.gz VGKDBEADRYGBNZ-VIFPVBQESA-N 1 3 183.299 0.019 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCCOCC1)C1CNC1 686251104 573894902 /nfs/dbraw/zinc/89/49/02/573894902.db2.gz DOKWUTBVAHZPKZ-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO NC[C@H](F)C[C@H]1CCC[NH2+]C1 258443216 573894762 /nfs/dbraw/zinc/89/47/62/573894762.db2.gz FEWAMTRNZDVPDA-HTQZYQBOSA-N 1 3 160.236 0.673 10 0 ACAEHO C[C@H](CN)[C@@H]([NH3+])C(C)(C)C 259224544 573897141 /nfs/dbraw/zinc/89/71/41/573897141.db2.gz GZAKQMGRXCXUDH-RNFRBKRXSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](N)C(C)(C)C 259224544 573897146 /nfs/dbraw/zinc/89/71/46/573897146.db2.gz GZAKQMGRXCXUDH-RNFRBKRXSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1CCCOCC1)C1CNC1 686251101 573897352 /nfs/dbraw/zinc/89/73/52/573897352.db2.gz DOKWUTBVAHZPKZ-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO NCC1([C@@H]([NH3+])C2CCOCC2)CC1 259578450 573896830 /nfs/dbraw/zinc/89/68/30/573896830.db2.gz WAGDISSQQSKHMC-VIFPVBQESA-N 1 3 184.283 0.479 10 0 ACAEHO Cc1ccsc1CNC[C@H](N)C[NH3+] 258991068 573896851 /nfs/dbraw/zinc/89/68/51/573896851.db2.gz MNOBAIOAUMEZGT-MRVPVSSYSA-N 1 3 199.323 0.432 10 0 ACAEHO Cc1ccsc1CNC[C@H]([NH3+])CN 258991068 573896859 /nfs/dbraw/zinc/89/68/59/573896859.db2.gz MNOBAIOAUMEZGT-MRVPVSSYSA-N 1 3 199.323 0.432 10 0 ACAEHO CC(C)N1CCC[C@H]1N1CC[NH2+]CC1 258175412 573897037 /nfs/dbraw/zinc/89/70/37/573897037.db2.gz OMJLOAVMWYEXSH-NSHDSACASA-N 1 3 197.326 0.722 10 0 ACAEHO C[NH2+][C@@H](C(C)C)[C@H](C)CN 259228026 573899662 /nfs/dbraw/zinc/89/96/62/573899662.db2.gz FKJRIABVPDDGFT-SFYZADRCSA-N 1 3 144.262 0.825 10 0 ACAEHO CC(C)[NH+]1CCC(OC2CNC2)CC1 238189323 573899483 /nfs/dbraw/zinc/89/94/83/573899483.db2.gz MYTQZUMVVKUDNH-UHFFFAOYSA-N 1 3 198.310 0.848 10 0 ACAEHO CO[C@]1(C[NH3+])CCCN(C(C)C)C1 257902681 573899535 /nfs/dbraw/zinc/89/95/35/573899535.db2.gz PBDYEQSMTKCCRI-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)N1CCC[C@@H]1N1CC[NH2+]CC1 258175405 573899918 /nfs/dbraw/zinc/89/99/18/573899918.db2.gz OMJLOAVMWYEXSH-LLVKDONJSA-N 1 3 197.326 0.722 10 0 ACAEHO Cc1ccc([C@@H]([NH3+])[C@@H](O)CN)cc1C 259226058 573904061 /nfs/dbraw/zinc/90/40/61/573904061.db2.gz FJDLALFJYMGQJH-WDEREUQCSA-N 1 3 194.278 0.623 10 0 ACAEHO CCCN1CCN(C[C@H](C)[NH2+]C)CC1 44471597 573903542 /nfs/dbraw/zinc/90/35/42/573903542.db2.gz ORCDFGBDDTVKLR-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+][C@@H](C)CN[C@H](C)[C@H]1CCOC1 393569297 573903543 /nfs/dbraw/zinc/90/35/43/573903543.db2.gz SXJKLLOQVUXBIQ-AEJSXWLSSA-N 1 3 186.299 0.609 10 0 ACAEHO CCCN1CCN(C[C@@H](C)[NH2+]C)CC1 44471594 573903624 /nfs/dbraw/zinc/90/36/24/573903624.db2.gz ORCDFGBDDTVKLR-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO NC[C@H](F)C1=CC[NH2+]CC1 258521016 573903710 /nfs/dbraw/zinc/90/37/10/573903710.db2.gz MFYZSYOSHFHVHY-ZETCQYMHSA-N 1 3 144.193 0.203 10 0 ACAEHO CN1CC[C@@H](NCC[NH2+]C2CC2)C1 258997988 573903836 /nfs/dbraw/zinc/90/38/36/573903836.db2.gz WKHAQUKYUSPEGM-SNVBAGLBSA-N 1 3 183.299 0.032 10 0 ACAEHO C[NH2+][C@H](C(C)C)[C@@H](C)CN 259226283 573903965 /nfs/dbraw/zinc/90/39/65/573903965.db2.gz FKJRIABVPDDGFT-JGVFFNPUSA-N 1 3 144.262 0.825 10 0 ACAEHO C[NH2+][C@@H]([C@H]1CCN(C)C1)C(C)(C)CN 259230161 573905185 /nfs/dbraw/zinc/90/51/85/573905185.db2.gz GKHLOILYAKTXOW-UWVGGRQHSA-N 1 3 199.342 0.511 10 0 ACAEHO NCc1cc(CC2CC[NH2+]CC2)n[nH]1 259229847 573905239 /nfs/dbraw/zinc/90/52/39/573905239.db2.gz MMISNJBISXRVKG-UHFFFAOYSA-N 1 3 194.282 0.411 10 0 ACAEHO C[C@@H](C[NH3+])[C@@]1(F)CCN(C)C1 258450275 573905285 /nfs/dbraw/zinc/90/52/85/573905285.db2.gz FXYQYFIHPCZUPH-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO CN(C)C[C@]1(F)CC[C@@H]([NH3+])C1 258450180 573907745 /nfs/dbraw/zinc/90/77/45/573907745.db2.gz FSEQANURTJQCOL-SFYZADRCSA-N 1 3 160.236 0.768 10 0 ACAEHO N[C@@H](C[NH3+])CNCCc1cccs1 259229038 573908293 /nfs/dbraw/zinc/90/82/93/573908293.db2.gz XYGGHBGSRXLUMI-QMMMGPOBSA-N 1 3 199.323 0.166 10 0 ACAEHO NC[C@H](N)C[NH2+]CCc1cccs1 259229038 573908299 /nfs/dbraw/zinc/90/82/99/573908299.db2.gz XYGGHBGSRXLUMI-QMMMGPOBSA-N 1 3 199.323 0.166 10 0 ACAEHO CCN1CCC[C@H]1C1([NH3+])CC1 258179004 573908267 /nfs/dbraw/zinc/90/82/67/573908267.db2.gz XZBZXOYJYVUTCM-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[N@@H+]1CCC[C@@]2(CC1)CNCCO2 76629279 573908069 /nfs/dbraw/zinc/90/80/69/573908069.db2.gz MUQNKGSTLNYLIK-SNVBAGLBSA-N 1 3 184.283 0.461 10 0 ACAEHO C[N@H+]1CCC[C@@]2(CC1)CNCCO2 76629279 573908072 /nfs/dbraw/zinc/90/80/72/573908072.db2.gz MUQNKGSTLNYLIK-SNVBAGLBSA-N 1 3 184.283 0.461 10 0 ACAEHO CN(C)CCN1CCC[C@@H]([NH3+])CC1 76631082 573908203 /nfs/dbraw/zinc/90/82/03/573908203.db2.gz AJMWWBHVGBHOMJ-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[NH2+]CCSCCN(C)C 87417151 573909408 /nfs/dbraw/zinc/90/94/08/573909408.db2.gz GRJUTXGIJYUBIU-UHFFFAOYSA-N 1 3 162.302 0.501 10 0 ACAEHO N[C@H](C[NH3+])CNCCc1cccs1 259229035 573909846 /nfs/dbraw/zinc/90/98/46/573909846.db2.gz XYGGHBGSRXLUMI-MRVPVSSYSA-N 1 3 199.323 0.166 10 0 ACAEHO NC[C@@H](N)C[NH2+]CCc1cccs1 259229035 573909847 /nfs/dbraw/zinc/90/98/47/573909847.db2.gz XYGGHBGSRXLUMI-MRVPVSSYSA-N 1 3 199.323 0.166 10 0 ACAEHO CN(C)CCN1CCC[C@H]([NH3+])CC1 76631077 573911587 /nfs/dbraw/zinc/91/15/87/573911587.db2.gz AJMWWBHVGBHOMJ-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[NH2+]C[C@H](CN)C1CC1 258454403 573912252 /nfs/dbraw/zinc/91/22/52/573912252.db2.gz XOFIOXYWMZHCHM-ZETCQYMHSA-N 1 3 128.219 0.191 10 0 ACAEHO COCCN1CCC[C@H]1CC[NH3+] 259236283 573912301 /nfs/dbraw/zinc/91/23/01/573912301.db2.gz LJDWPDMNOPNDJZ-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO COCC[N@@H+]1CCC[C@H]1CCN 259236283 573912306 /nfs/dbraw/zinc/91/23/06/573912306.db2.gz LJDWPDMNOPNDJZ-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO COCC[N@H+]1CCC[C@H]1CCN 259236283 573912311 /nfs/dbraw/zinc/91/23/11/573912311.db2.gz LJDWPDMNOPNDJZ-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[NH2+][C@H]1COC[C@H]1CN(C)C1CCC1 127559139 573915967 /nfs/dbraw/zinc/91/59/67/573915967.db2.gz AAZXMCADCOBLAD-KOLCDFICSA-N 1 3 198.310 0.705 10 0 ACAEHO CN(C)CCN(C)c1cc[nH+]cc1N 42141547 573916189 /nfs/dbraw/zinc/91/61/89/573916189.db2.gz NAEDXDJYWQZRLF-UHFFFAOYSA-N 1 3 194.282 0.662 10 0 ACAEHO CN1CCC[C@@H]1[C@H]1C[NH2+][C@H](CO)C1 258180733 573916260 /nfs/dbraw/zinc/91/62/60/573916260.db2.gz MADZCIZZMXZWFH-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[NH2+][C@@H]1COC[C@@H]1CN(C)C1CCC1 127558587 573916304 /nfs/dbraw/zinc/91/63/04/573916304.db2.gz AAZXMCADCOBLAD-GXSJLCMTSA-N 1 3 198.310 0.705 10 0 ACAEHO NC[C@@H](N)C[NH2+]CCc1ccccc1 259007935 573918242 /nfs/dbraw/zinc/91/82/42/573918242.db2.gz QWSHFXHAZAGEIE-LLVKDONJSA-N 1 3 193.294 0.105 10 0 ACAEHO N[C@H](C[NH3+])CNCCc1ccccc1 259007935 573918246 /nfs/dbraw/zinc/91/82/46/573918246.db2.gz QWSHFXHAZAGEIE-LLVKDONJSA-N 1 3 193.294 0.105 10 0 ACAEHO CC[NH2+]CCN(C)[C@H]1CCN(C)C1 259006582 573917800 /nfs/dbraw/zinc/91/78/00/573917800.db2.gz XHPCDVZSWCQFQQ-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO [NH3+]C1(CNCCc2cc[nH]c2)CC1 259007512 573917995 /nfs/dbraw/zinc/91/79/95/573917995.db2.gz FSSKKWHGOYVDEU-UHFFFAOYSA-N 1 3 179.267 0.638 10 0 ACAEHO C[C@@H]1C[NH2+][C@@](C)([C@H]2CCN(C)C2)OC1 258455990 573919276 /nfs/dbraw/zinc/91/92/76/573919276.db2.gz KHTUMSLBWAJVRF-OUAUKWLOSA-N 1 3 198.310 0.910 10 0 ACAEHO CN1CCC[C@@H]1[C@@H]1C[NH2+][C@H](CO)C1 258180736 573919364 /nfs/dbraw/zinc/91/93/64/573919364.db2.gz MADZCIZZMXZWFH-LPEHRKFASA-N 1 3 184.283 0.051 10 0 ACAEHO COCCCCN[C@H]1CCC[NH2+]C1 44658363 573919581 /nfs/dbraw/zinc/91/95/81/573919581.db2.gz DQKCGGDDHIDRNI-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1N1CCCN(C)CC1 123074184 573920197 /nfs/dbraw/zinc/92/01/97/573920197.db2.gz XJKWZRUAYURFII-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1N1CCCN(C)CC1 123073734 573921385 /nfs/dbraw/zinc/92/13/85/573921385.db2.gz XJKWZRUAYURFII-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1N1CCCN(C)CC1 123073539 573921437 /nfs/dbraw/zinc/92/14/37/573921437.db2.gz XJKWZRUAYURFII-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@H]([NH2+]CC1CSC1)C1CNC1 686251258 573921524 /nfs/dbraw/zinc/92/15/24/573921524.db2.gz JDVVWUHHHLBIJO-ZETCQYMHSA-N 1 3 186.324 0.547 10 0 ACAEHO CO[C@](C)(CNCC1C[NH2+]C1)C1CC1 308464092 573921925 /nfs/dbraw/zinc/92/19/25/573921925.db2.gz FLILMNFPDLHWIG-LLVKDONJSA-N 1 3 198.310 0.611 10 0 ACAEHO CO[C@](C)(C[NH2+]CC1CNC1)C1CC1 308464092 573921933 /nfs/dbraw/zinc/92/19/33/573921933.db2.gz FLILMNFPDLHWIG-LLVKDONJSA-N 1 3 198.310 0.611 10 0 ACAEHO CC(C)(O)[C@@H]1CN2CCC[C@@H]2[C@@H]1[NH3+] 238187353 573925007 /nfs/dbraw/zinc/92/50/07/573925007.db2.gz XMDZLBYPXNERLR-IWSPIJDZSA-N 1 3 184.283 0.179 10 0 ACAEHO NCc1ccccc1[C@]1(O)CC[NH2+]C1 257900497 573925115 /nfs/dbraw/zinc/92/51/15/573925115.db2.gz YSBVSQNWVAZFKX-NSHDSACASA-N 1 3 192.262 0.326 10 0 ACAEHO CC[C@H](N)C[NH2+][C@H]1CCN(C2CC2)C1 44679543 573925321 /nfs/dbraw/zinc/92/53/21/573925321.db2.gz OEERWSYTTZXNLD-UWVGGRQHSA-N 1 3 197.326 0.550 10 0 ACAEHO CC[C@H]([NH3+])CN[C@H]1CCN(C2CC2)C1 44679543 573925327 /nfs/dbraw/zinc/92/53/27/573925327.db2.gz OEERWSYTTZXNLD-UWVGGRQHSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@H](N(C)C)C(C)(C)C[NH3+] 259241738 573925611 /nfs/dbraw/zinc/92/56/11/573925611.db2.gz KSJCMEOGQVINTB-ZETCQYMHSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@H](N)C[NH2+][C@H]1CCN(C2CC2)C1 44679427 573925656 /nfs/dbraw/zinc/92/56/56/573925656.db2.gz LGOWFMGAWHZNEL-IUCAKERBSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@H]([NH3+])CN[C@H]1CCN(C2CC2)C1 44679427 573925657 /nfs/dbraw/zinc/92/56/57/573925657.db2.gz LGOWFMGAWHZNEL-IUCAKERBSA-N 1 3 183.299 0.160 10 0 ACAEHO CCCC[N@H+](C)C[C@@H](N)CN 259011172 573925979 /nfs/dbraw/zinc/92/59/79/573925979.db2.gz RGCCPESVSOEXOU-QMMMGPOBSA-N 1 3 159.277 0.004 10 0 ACAEHO CCCC[N@@H+](C)C[C@@H](N)CN 259011172 573925983 /nfs/dbraw/zinc/92/59/83/573925983.db2.gz RGCCPESVSOEXOU-QMMMGPOBSA-N 1 3 159.277 0.004 10 0 ACAEHO CCCCN(C)C[C@@H](N)C[NH3+] 259011172 573925988 /nfs/dbraw/zinc/92/59/88/573925988.db2.gz RGCCPESVSOEXOU-QMMMGPOBSA-N 1 3 159.277 0.004 10 0 ACAEHO C[C@@H](N)c1ccnn1[C@@H]1CC[NH2+]C1 257901463 573925994 /nfs/dbraw/zinc/92/59/94/573925994.db2.gz OYZBZRILEJVHQE-HTQZYQBOSA-N 1 3 180.255 0.437 10 0 ACAEHO C[N@@H+]1C[C@@H]2CNC[C@H](C1)C2F 258458967 573925999 /nfs/dbraw/zinc/92/59/99/573925999.db2.gz GUWCHAJJXRGEOH-DHBOJHSNSA-N 1 3 158.220 0.106 10 0 ACAEHO C[N@H+]1C[C@@H]2CNC[C@H](C1)C2F 258458967 573926002 /nfs/dbraw/zinc/92/60/02/573926002.db2.gz GUWCHAJJXRGEOH-DHBOJHSNSA-N 1 3 158.220 0.106 10 0 ACAEHO CN1C[C@@H]2C[NH2+]C[C@H](C1)C2F 258458967 573926005 /nfs/dbraw/zinc/92/60/05/573926005.db2.gz GUWCHAJJXRGEOH-DHBOJHSNSA-N 1 3 158.220 0.106 10 0 ACAEHO C[NH2+]CCCN[C@@H]1CCN(C2CC2)C1 44679485 573926010 /nfs/dbraw/zinc/92/60/10/573926010.db2.gz CNGNTPBDMUOKPR-SNVBAGLBSA-N 1 3 197.326 0.422 10 0 ACAEHO CC1(C)CC([NH3+])(CO)CC(C)(C)N1 238188679 573926035 /nfs/dbraw/zinc/92/60/35/573926035.db2.gz UBERAYMPBVOWDL-UHFFFAOYSA-N 1 3 186.299 0.617 10 0 ACAEHO c1c[nH]c(CCNCC2C[NH2+]C2)c1 259012896 573926085 /nfs/dbraw/zinc/92/60/85/573926085.db2.gz XXAUMOMQFQHJIC-UHFFFAOYSA-N 1 3 179.267 0.366 10 0 ACAEHO c1c[nH]c(CC[NH2+]CC2CNC2)c1 259012896 573926092 /nfs/dbraw/zinc/92/60/92/573926092.db2.gz XXAUMOMQFQHJIC-UHFFFAOYSA-N 1 3 179.267 0.366 10 0 ACAEHO C[C@H](N)c1ccnn1[C@@H]1CC[NH2+]C1 257901464 573926193 /nfs/dbraw/zinc/92/61/93/573926193.db2.gz OYZBZRILEJVHQE-JGVFFNPUSA-N 1 3 180.255 0.437 10 0 ACAEHO CN[C@](C[NH3+])(COC)C(C)C 87482588 573926274 /nfs/dbraw/zinc/92/62/74/573926274.db2.gz CDUURXJPJCKTMY-MRVPVSSYSA-N 1 3 160.261 0.206 10 0 ACAEHO CN1CCC[C@@H]1c1oncc1C[NH3+] 257901439 573927238 /nfs/dbraw/zinc/92/72/38/573927238.db2.gz OYTGAYVEJJUYAN-MRVPVSSYSA-N 1 3 181.239 0.900 10 0 ACAEHO C[C@H]([NH3+])CCN[C@H]1CCN(C2CC2)C1 44679557 573927555 /nfs/dbraw/zinc/92/75/55/573927555.db2.gz MKAGCEZRSQRUKM-UWVGGRQHSA-N 1 3 197.326 0.550 10 0 ACAEHO CC[N@@H+]1CCC=C(CNC)C1 258182578 573927811 /nfs/dbraw/zinc/92/78/11/573927811.db2.gz SUGPCWOPEZNKNJ-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO CC[N@H+]1CCC=C(CNC)C1 258182578 573927816 /nfs/dbraw/zinc/92/78/16/573927816.db2.gz SUGPCWOPEZNKNJ-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO CCOC[C@H](C)[N@@H+]1CCCNCC1 44727789 573927880 /nfs/dbraw/zinc/92/78/80/573927880.db2.gz KCPJURNGDFTUGV-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CCOC[C@H](C)[N@H+]1CCCNCC1 44727789 573927886 /nfs/dbraw/zinc/92/78/86/573927886.db2.gz KCPJURNGDFTUGV-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@@H](N)c1ccnn1[C@H]1CC[NH2+]C1 257901465 573927941 /nfs/dbraw/zinc/92/79/41/573927941.db2.gz OYZBZRILEJVHQE-SFYZADRCSA-N 1 3 180.255 0.437 10 0 ACAEHO C[C@H]([NH3+])CCN[C@@H]1CCN(C2CC2)C1 44679553 573927948 /nfs/dbraw/zinc/92/79/48/573927948.db2.gz MKAGCEZRSQRUKM-VHSXEESVSA-N 1 3 197.326 0.550 10 0 ACAEHO CCCN1C2CC(C2)[C@@H]1C[NH3+] 258522671 573928021 /nfs/dbraw/zinc/92/80/21/573928021.db2.gz MJMBXJVJJUPPCA-HACHORDNSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)[N@H+]1C[C@H]2[C@H](N)CS[C@H]2C1 238199345 573928520 /nfs/dbraw/zinc/92/85/20/573928520.db2.gz FKZYOIYGWKXBSF-YIZRAAEISA-N 1 3 186.324 0.769 10 0 ACAEHO C[NH2+]C[C@H]1CCCCCN1 81038165 573928525 /nfs/dbraw/zinc/92/85/25/573928525.db2.gz YATBPSBWOZAQAG-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CC(C)[N@@H+]1C[C@H]2[C@H](N)CS[C@H]2C1 238199345 573928526 /nfs/dbraw/zinc/92/85/26/573928526.db2.gz FKZYOIYGWKXBSF-YIZRAAEISA-N 1 3 186.324 0.769 10 0 ACAEHO CC(C)N1C[C@H]2[C@H]([NH3+])CS[C@H]2C1 238199345 573928528 /nfs/dbraw/zinc/92/85/28/573928528.db2.gz FKZYOIYGWKXBSF-YIZRAAEISA-N 1 3 186.324 0.769 10 0 ACAEHO CC(C)(N)C[NH2+][C@@H]1CCN(C2CC2)C1 44679466 573928692 /nfs/dbraw/zinc/92/86/92/573928692.db2.gz KUSYGSDXMOTXIE-SECBINFHSA-N 1 3 197.326 0.550 10 0 ACAEHO CC(C)([NH3+])CN[C@@H]1CCN(C2CC2)C1 44679466 573928696 /nfs/dbraw/zinc/92/86/96/573928696.db2.gz KUSYGSDXMOTXIE-SECBINFHSA-N 1 3 197.326 0.550 10 0 ACAEHO CC(C)C[C@H](N)C1([NH3+])CC1 259585601 573928899 /nfs/dbraw/zinc/92/88/99/573928899.db2.gz WJIWWWOGVPDIHV-ZETCQYMHSA-N 1 3 142.246 0.851 10 0 ACAEHO C[C@H](CCO)[N@@H+]1CCC[C@H](CN)C1 215005005 573928947 /nfs/dbraw/zinc/92/89/47/573928947.db2.gz KQBHRFJOAIWSHX-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCO)[N@H+]1CCC[C@H](CN)C1 215005005 573928951 /nfs/dbraw/zinc/92/89/51/573928951.db2.gz KQBHRFJOAIWSHX-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCO)N1CCC[C@H](C[NH3+])C1 215005005 573928957 /nfs/dbraw/zinc/92/89/57/573928957.db2.gz KQBHRFJOAIWSHX-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCOC[C@@H](C)[N@@H+]1CCCNCC1 44727788 573928990 /nfs/dbraw/zinc/92/89/90/573928990.db2.gz KCPJURNGDFTUGV-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CCOC[C@@H](C)[N@H+]1CCCNCC1 44727788 573928994 /nfs/dbraw/zinc/92/89/94/573928994.db2.gz KCPJURNGDFTUGV-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CC(C)(N)C[NH2+][C@H]1CCN(C2CC2)C1 44679467 573929113 /nfs/dbraw/zinc/92/91/13/573929113.db2.gz KUSYGSDXMOTXIE-VIFPVBQESA-N 1 3 197.326 0.550 10 0 ACAEHO CC(C)([NH3+])CN[C@H]1CCN(C2CC2)C1 44679467 573929118 /nfs/dbraw/zinc/92/91/18/573929118.db2.gz KUSYGSDXMOTXIE-VIFPVBQESA-N 1 3 197.326 0.550 10 0 ACAEHO C[NH2+]CCCN[C@H]1CCN(C2CC2)C1 44679487 573929186 /nfs/dbraw/zinc/92/91/86/573929186.db2.gz CNGNTPBDMUOKPR-JTQLQIEISA-N 1 3 197.326 0.422 10 0 ACAEHO CC[C@H](N)C[NH2+][C@@H]1CCN(C2CC2)C1 44679540 573929459 /nfs/dbraw/zinc/92/94/59/573929459.db2.gz OEERWSYTTZXNLD-VHSXEESVSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H](N(C)C)C(C)(C)C[NH3+] 259241726 573929280 /nfs/dbraw/zinc/92/92/80/573929280.db2.gz KSJCMEOGQVINTB-SSDOTTSWSA-N 1 3 144.262 0.921 10 0 ACAEHO C[NH2+]CCN[C@@H]1CCN(C2CC2)C1 44679432 573929316 /nfs/dbraw/zinc/92/93/16/573929316.db2.gz FEOIRBIVNVCWEH-SECBINFHSA-N 1 3 183.299 0.032 10 0 ACAEHO CC[C@H]([NH3+])CN[C@@H]1CCN(C2CC2)C1 44679540 573929463 /nfs/dbraw/zinc/92/94/63/573929463.db2.gz OEERWSYTTZXNLD-VHSXEESVSA-N 1 3 197.326 0.550 10 0 ACAEHO CN[C@H](C[NH2+]C1CC1)C1CCOCC1 259240911 573929357 /nfs/dbraw/zinc/92/93/57/573929357.db2.gz GVUQSIJOSJYEEA-LLVKDONJSA-N 1 3 198.310 0.753 10 0 ACAEHO CCCN1C2CC(C2)[C@H]1C[NH3+] 258522667 573929381 /nfs/dbraw/zinc/92/93/81/573929381.db2.gz MJMBXJVJJUPPCA-AMDVSUOASA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]([C@@H](C)[NH3+])N(CCO)C(C)(C)C 690013683 573929479 /nfs/dbraw/zinc/92/94/79/573929479.db2.gz BDKYGUILHVDOMJ-BDAKNGLRSA-N 1 3 188.315 0.815 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)N(CCO)C(C)(C)C 690013720 573929543 /nfs/dbraw/zinc/92/95/43/573929543.db2.gz BDKYGUILHVDOMJ-RKDXNWHRSA-N 1 3 188.315 0.815 10 0 ACAEHO CN[C@@H](C[NH2+]C1CC1)C1CCOCC1 259240913 573929623 /nfs/dbraw/zinc/92/96/23/573929623.db2.gz GVUQSIJOSJYEEA-NSHDSACASA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](N)C[NH2+][C@@H]1CCN(C2CC2)C1 44679425 573929736 /nfs/dbraw/zinc/92/97/36/573929736.db2.gz LGOWFMGAWHZNEL-DTWKUNHWSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@H]([NH3+])CN[C@@H]1CCN(C2CC2)C1 44679425 573929740 /nfs/dbraw/zinc/92/97/40/573929740.db2.gz LGOWFMGAWHZNEL-DTWKUNHWSA-N 1 3 183.299 0.160 10 0 ACAEHO CC[C@@H](N)C[NH2+][C@@H]1CCN(C2CC2)C1 44679542 573929801 /nfs/dbraw/zinc/92/98/01/573929801.db2.gz OEERWSYTTZXNLD-NXEZZACHSA-N 1 3 197.326 0.550 10 0 ACAEHO CC[C@@H]([NH3+])CN[C@@H]1CCN(C2CC2)C1 44679542 573929804 /nfs/dbraw/zinc/92/98/04/573929804.db2.gz OEERWSYTTZXNLD-NXEZZACHSA-N 1 3 197.326 0.550 10 0 ACAEHO CC[C@@H](N)C[NH2+][C@H]1CCN(C2CC2)C1 44679545 573929822 /nfs/dbraw/zinc/92/98/22/573929822.db2.gz OEERWSYTTZXNLD-ZJUUUORDSA-N 1 3 197.326 0.550 10 0 ACAEHO CC[C@@H]([NH3+])CN[C@H]1CCN(C2CC2)C1 44679545 573929825 /nfs/dbraw/zinc/92/98/25/573929825.db2.gz OEERWSYTTZXNLD-ZJUUUORDSA-N 1 3 197.326 0.550 10 0 ACAEHO C[NH2+]C[C@@H]1CCCCCN1 81038162 573929883 /nfs/dbraw/zinc/92/98/83/573929883.db2.gz YATBPSBWOZAQAG-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO C[NH2+]CCN[C@H]1CCN(C2CC2)C1 44679433 573929928 /nfs/dbraw/zinc/92/99/28/573929928.db2.gz FEOIRBIVNVCWEH-VIFPVBQESA-N 1 3 183.299 0.032 10 0 ACAEHO CNCC1([C@@H](C)[NH2+]C)CCC1 259243716 573930704 /nfs/dbraw/zinc/93/07/04/573930704.db2.gz GXANLIOJTXFSIX-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CN[C@H](C)C1(C[NH2+]C)CCC1 259243716 573930710 /nfs/dbraw/zinc/93/07/10/573930710.db2.gz GXANLIOJTXFSIX-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N(CCO)C(C)(C)C 690013718 573930818 /nfs/dbraw/zinc/93/08/18/573930818.db2.gz BDKYGUILHVDOMJ-IUCAKERBSA-N 1 3 188.315 0.815 10 0 ACAEHO CCN1CCC12CC[NH2+]CC2 103475583 573931048 /nfs/dbraw/zinc/93/10/48/573931048.db2.gz QRTUXOAVWNSYRC-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO CC[N@@H+]1CCC12CCNCC2 103475583 573931053 /nfs/dbraw/zinc/93/10/53/573931053.db2.gz QRTUXOAVWNSYRC-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO CC[N@H+]1CCC12CCNCC2 103475583 573931057 /nfs/dbraw/zinc/93/10/57/573931057.db2.gz QRTUXOAVWNSYRC-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N(CCO)C(C)(C)C 690013714 573931410 /nfs/dbraw/zinc/93/14/10/573931410.db2.gz BDKYGUILHVDOMJ-DTWKUNHWSA-N 1 3 188.315 0.815 10 0 ACAEHO CNCC1([C@H](C)[NH2+]C)CCC1 259243718 573931716 /nfs/dbraw/zinc/93/17/16/573931716.db2.gz GXANLIOJTXFSIX-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO CN[C@@H](C)C1(C[NH2+]C)CCC1 259243718 573931719 /nfs/dbraw/zinc/93/17/19/573931719.db2.gz GXANLIOJTXFSIX-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(C)[C@H]1C 259243474 573931760 /nfs/dbraw/zinc/93/17/60/573931760.db2.gz LULRSIFBVPRBIJ-YUMQZZPRSA-N 1 3 142.246 0.546 10 0 ACAEHO Cc1[nH]c(N)[nH+]c1[C@@H]1CCN(C)C1 259243800 573932670 /nfs/dbraw/zinc/93/26/70/573932670.db2.gz SOXZYYDLDCSHRQ-SSDOTTSWSA-N 1 3 180.255 0.719 10 0 ACAEHO C[C@H]([NH+]1CCC1)C1(CN)CC1 259245665 573936351 /nfs/dbraw/zinc/93/63/51/573936351.db2.gz KTLOSCUCRBSXMH-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CN(C)CC1(NCCC[NH3+])CCC1 393573324 573934864 /nfs/dbraw/zinc/93/48/64/573934864.db2.gz MKMZSZIPVSXYFT-UHFFFAOYSA-N 1 3 185.315 0.409 10 0 ACAEHO CCC[C@@H](C[C@H]1CNCCO1)[NH2+]C 259585931 573934899 /nfs/dbraw/zinc/93/48/99/573934899.db2.gz XMLOGUDGDZZWPP-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO CN(C)CC1([NH2+]CC(C)(C)N)CCC1 393573241 573935426 /nfs/dbraw/zinc/93/54/26/573935426.db2.gz YSPXTEUQXXSPIG-UHFFFAOYSA-N 1 3 199.342 0.798 10 0 ACAEHO C[NH2+]C[C@]1(OC)CCN(C(C)C)C1 257905101 573935736 /nfs/dbraw/zinc/93/57/36/573935736.db2.gz POCQJFMKLDIIRU-SNVBAGLBSA-N 1 3 186.299 0.705 10 0 ACAEHO CNC[C@]1(OC)CC[N@@H+](C(C)C)C1 257905101 573935740 /nfs/dbraw/zinc/93/57/40/573935740.db2.gz POCQJFMKLDIIRU-SNVBAGLBSA-N 1 3 186.299 0.705 10 0 ACAEHO CNC[C@]1(OC)CC[N@H+](C(C)C)C1 257905101 573935742 /nfs/dbraw/zinc/93/57/42/573935742.db2.gz POCQJFMKLDIIRU-SNVBAGLBSA-N 1 3 186.299 0.705 10 0 ACAEHO [NH3+]CC1CN(CCC2CC2)C1 84988032 573935791 /nfs/dbraw/zinc/93/57/91/573935791.db2.gz LHWSDCDXRPMZSG-UHFFFAOYSA-N 1 3 154.257 0.677 10 0 ACAEHO CCC[C@H](C[C@@H]1CNCCO1)[NH2+]C 259585930 573935934 /nfs/dbraw/zinc/93/59/34/573935934.db2.gz XMLOGUDGDZZWPP-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@H](N1CCC1)C1(C[NH3+])CC1 259245665 573936344 /nfs/dbraw/zinc/93/63/44/573936344.db2.gz KTLOSCUCRBSXMH-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H](N1CCC1)C1(C[NH3+])CC1 259245661 573936331 /nfs/dbraw/zinc/93/63/31/573936331.db2.gz KTLOSCUCRBSXMH-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H]([NH+]1CCC1)C1(CN)CC1 259245661 573936335 /nfs/dbraw/zinc/93/63/35/573936335.db2.gz KTLOSCUCRBSXMH-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CO[C@H]1CCC[C@@H](N2CC(C[NH3+])C2)C1 84987655 573938084 /nfs/dbraw/zinc/93/80/84/573938084.db2.gz XGMBQMIOZOIJKI-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1CCC[C@@H]([NH+]2CC(CN)C2)C1 84987655 573938088 /nfs/dbraw/zinc/93/80/88/573938088.db2.gz XGMBQMIOZOIJKI-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H](NC[C@@](C)(O)C1CC1)C1C[NH2+]C1 686251338 573939697 /nfs/dbraw/zinc/93/96/97/573939697.db2.gz LPRPGLVVFSTCME-LDYMZIIASA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)C1CNC1 686251338 573939701 /nfs/dbraw/zinc/93/97/01/573939701.db2.gz LPRPGLVVFSTCME-LDYMZIIASA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 222816489 573939259 /nfs/dbraw/zinc/93/92/59/573939259.db2.gz GHNHLWUHEKCXFC-AXFHLTTASA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@H]([NH3+])CCN1CCN(CC)CC1 127770252 573939341 /nfs/dbraw/zinc/93/93/41/573939341.db2.gz QJSQMTOHYLOECR-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC(C)[C@@](C)(CN)[NH2+]Cc1cn[nH]c1 308468827 573939390 /nfs/dbraw/zinc/93/93/90/573939390.db2.gz INCMUNUWEKJXQM-SNVBAGLBSA-N 1 3 196.298 0.873 10 0 ACAEHO CC(C)CN1CC(C[NH3+])C1 84987785 573939675 /nfs/dbraw/zinc/93/96/75/573939675.db2.gz AEJWROJRURVUHI-UHFFFAOYSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H](N[C@@H]1CO[C@@H](C)[C@@H]1C)C1C[NH2+]C1 686251416 573939476 /nfs/dbraw/zinc/93/94/76/573939476.db2.gz HSJXKRVXJRSLLR-FTYOSLGDSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)C1CNC1 686251416 573939484 /nfs/dbraw/zinc/93/94/84/573939484.db2.gz HSJXKRVXJRSLLR-FTYOSLGDSA-N 1 3 198.310 0.607 10 0 ACAEHO CCCCN1CC(C[NH3+])C1 84987592 573939637 /nfs/dbraw/zinc/93/96/37/573939637.db2.gz BUBDEXMNCPPTOH-UHFFFAOYSA-N 1 3 142.246 0.677 10 0 ACAEHO CC(C)(C)[N@H+](CCO)C1CC(N)C1 690016639 573941888 /nfs/dbraw/zinc/94/18/88/573941888.db2.gz SQVAALAOWPSFJD-UHFFFAOYSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)(C)[N@@H+](CCO)C1CC(N)C1 690016639 573941891 /nfs/dbraw/zinc/94/18/91/573941891.db2.gz SQVAALAOWPSFJD-UHFFFAOYSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)(C)N(CCO)C1CC([NH3+])C1 690016639 573941897 /nfs/dbraw/zinc/94/18/97/573941897.db2.gz SQVAALAOWPSFJD-UHFFFAOYSA-N 1 3 186.299 0.569 10 0 ACAEHO CCCNC[C@@H]1C[C@H](OC)C[NH2+]1 40637583 573944392 /nfs/dbraw/zinc/94/43/92/573944392.db2.gz VVKGZHUUUCYRJI-IUCAKERBSA-N 1 3 172.272 0.363 10 0 ACAEHO C[NH2+]CC[C@H](N)C1CCOCC1 259246529 573943936 /nfs/dbraw/zinc/94/39/36/573943936.db2.gz HXSCWNJVBGKUNI-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO CNCC[C@H]([NH3+])C1CCOCC1 259246529 573943942 /nfs/dbraw/zinc/94/39/42/573943942.db2.gz HXSCWNJVBGKUNI-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO CCCNC[C@@H](O)[C@@H]1CCC[NH2+]1 84993224 573944151 /nfs/dbraw/zinc/94/41/51/573944151.db2.gz MWNZGIDJBSHNNJ-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CNC[C@@H](O)[C@@H]1CCCCC[NH2+]1 84992133 573944214 /nfs/dbraw/zinc/94/42/14/573944214.db2.gz HWRUISCQBZUKHM-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@@H](O)[C@@H]1CCCCCN1 84992133 573944218 /nfs/dbraw/zinc/94/42/18/573944218.db2.gz HWRUISCQBZUKHM-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CCCCNC[C@@H]1C[C@@H](OC)C[NH2+]1 40637633 573944336 /nfs/dbraw/zinc/94/43/36/573944336.db2.gz ZEVKCHVRVIPODP-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO CC[C@H]([NH3+])[C@@H](CN)C(C)C 259247591 573945299 /nfs/dbraw/zinc/94/52/99/573945299.db2.gz GGKNQNGNXTVDNB-YUMQZZPRSA-N 1 3 144.262 0.955 10 0 ACAEHO CN1CCN(CC2=CC[NH2+]CC2)CC1 257915423 573946818 /nfs/dbraw/zinc/94/68/18/573946818.db2.gz JINQSCXUYGDAST-UHFFFAOYSA-N 1 3 195.310 0.154 10 0 ACAEHO C[C@@](F)(CN)C[C@@H]1CC[NH2+]C1 258522761 573948266 /nfs/dbraw/zinc/94/82/66/573948266.db2.gz MKWBULOLIDDEPZ-YUMQZZPRSA-N 1 3 160.236 0.673 10 0 ACAEHO NC[C@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1CO 42432781 573948795 /nfs/dbraw/zinc/94/87/95/573948795.db2.gz KZFPLLFRIOTBGB-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@H]1[N@H+]1CCC[C@@H]1CO 42432781 573948798 /nfs/dbraw/zinc/94/87/98/573948798.db2.gz KZFPLLFRIOTBGB-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCCC[C@@H]1CO 42432178 573949216 /nfs/dbraw/zinc/94/92/16/573949216.db2.gz PLUWDCWUPPFBBI-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CC[NH3+])N1CCCC[C@@H]1CO 42432178 573949223 /nfs/dbraw/zinc/94/92/23/573949223.db2.gz PLUWDCWUPPFBBI-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCC[C@@H]1CO 42432794 573948335 /nfs/dbraw/zinc/94/83/35/573948335.db2.gz RZFRXTKPCIDBCH-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCC[C@@H]1CO 42432794 573948337 /nfs/dbraw/zinc/94/83/37/573948337.db2.gz RZFRXTKPCIDBCH-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)(C)N[C@@]1(C[NH3+])CCCOC1 257913974 573948490 /nfs/dbraw/zinc/94/84/90/573948490.db2.gz QQTZAHYYYBBJHV-SNVBAGLBSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@H](CN1CCC[C@@H]1CO)C(N)=[NH2+] 42432935 573948594 /nfs/dbraw/zinc/94/85/94/573948594.db2.gz XZQWMGXVNWXCPC-HTQZYQBOSA-N 1 3 185.271 0.015 10 0 ACAEHO CC[C@@]([NH3+])(CO)[C@H]1CCN(C)C1 215019405 573950424 /nfs/dbraw/zinc/95/04/24/573950424.db2.gz NXIHYRFPKKXVHO-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C1COC[C@H](NC[C@@H]2CC[NH2+]C2)C1 257913930 573948762 /nfs/dbraw/zinc/94/87/62/573948762.db2.gz QQHOVIGXKYKVTP-NXEZZACHSA-N 1 3 184.283 0.365 10 0 ACAEHO CC[C@]([NH3+])(CO)[C@@H]1CCN(C)C1 215019354 573948953 /nfs/dbraw/zinc/94/89/53/573948953.db2.gz NXIHYRFPKKXVHO-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1CO 42432783 573948974 /nfs/dbraw/zinc/94/89/74/573948974.db2.gz KZFPLLFRIOTBGB-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]1CO 42432783 573948979 /nfs/dbraw/zinc/94/89/79/573948979.db2.gz KZFPLLFRIOTBGB-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO CC(C)(C)N[C@]1(C[NH3+])CCCOC1 257913971 573949010 /nfs/dbraw/zinc/94/90/10/573949010.db2.gz QQTZAHYYYBBJHV-JTQLQIEISA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@](F)(CN)C[C@@H]1CC[NH2+]C1 258522755 573949096 /nfs/dbraw/zinc/94/90/96/573949096.db2.gz MKWBULOLIDDEPZ-JGVFFNPUSA-N 1 3 160.236 0.673 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCCC[C@@H]1CO 42432178 573949210 /nfs/dbraw/zinc/94/92/10/573949210.db2.gz PLUWDCWUPPFBBI-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCC[C@@H]1CO 42432937 573949436 /nfs/dbraw/zinc/94/94/36/573949436.db2.gz XTOVITAKSWSQHZ-HTQZYQBOSA-N 1 3 185.271 0.158 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCC[C@@H]1CO 42432936 573949467 /nfs/dbraw/zinc/94/94/67/573949467.db2.gz XTOVITAKSWSQHZ-JGVFFNPUSA-N 1 3 185.271 0.158 10 0 ACAEHO CC[C@H](CCN)[N@@H+]1CCC[C@@H]1CO 42432750 573949561 /nfs/dbraw/zinc/94/95/61/573949561.db2.gz HASYYQIHGOAEGQ-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@H](CCN)[N@H+]1CCC[C@@H]1CO 42432750 573949565 /nfs/dbraw/zinc/94/95/65/573949565.db2.gz HASYYQIHGOAEGQ-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@](F)(CN)C[C@H]1CC[NH2+]C1 258522759 573949577 /nfs/dbraw/zinc/94/95/77/573949577.db2.gz MKWBULOLIDDEPZ-SFYZADRCSA-N 1 3 160.236 0.673 10 0 ACAEHO CC[C@@H](CCN)[N@@H+]1CCC[C@@H]1CO 42432749 573949648 /nfs/dbraw/zinc/94/96/48/573949648.db2.gz HASYYQIHGOAEGQ-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC[C@@H](CCN)[N@H+]1CCC[C@@H]1CO 42432749 573949653 /nfs/dbraw/zinc/94/96/53/573949653.db2.gz HASYYQIHGOAEGQ-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C1COC[C@@H](NC[C@H]2CC[NH2+]C2)C1 257913931 573949765 /nfs/dbraw/zinc/94/97/65/573949765.db2.gz QQHOVIGXKYKVTP-UWVGGRQHSA-N 1 3 184.283 0.365 10 0 ACAEHO NC1(c2cnn([C@@H]3CC[NH2+]C3)c2)CC1 257907777 573949864 /nfs/dbraw/zinc/94/98/64/573949864.db2.gz ZTVCOYLMVQKNKB-SECBINFHSA-N 1 3 192.266 0.365 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCCC[C@@H]1CO 42432300 573949878 /nfs/dbraw/zinc/94/98/78/573949878.db2.gz NUNQAVOBQHVCBW-RKDXNWHRSA-N 1 3 199.298 0.548 10 0 ACAEHO NC1(c2cnn([C@H]3CC[NH2+]C3)c2)CC1 257907779 573950018 /nfs/dbraw/zinc/95/00/18/573950018.db2.gz ZTVCOYLMVQKNKB-VIFPVBQESA-N 1 3 192.266 0.365 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CCCC[C@@H]1CO 42432120 573950026 /nfs/dbraw/zinc/95/00/26/573950026.db2.gz DSXBFDMIMSKCLS-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[N@H+]1CCCC[C@@H]1CO 42432120 573950029 /nfs/dbraw/zinc/95/00/29/573950029.db2.gz DSXBFDMIMSKCLS-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](C[NH3+])CN1CCCC[C@@H]1CO 42432120 573950033 /nfs/dbraw/zinc/95/00/33/573950033.db2.gz DSXBFDMIMSKCLS-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[NH+](C)C[C@@H](O)CN[C@H]1CC1(C)C 45119265 573950288 /nfs/dbraw/zinc/95/02/88/573950288.db2.gz BIHNFLZKEUTEPE-IUCAKERBSA-N 1 3 186.299 0.297 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@](C)(F)CN)C1 258461978 573950395 /nfs/dbraw/zinc/95/03/95/573950395.db2.gz HEECORQAVYUUFP-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@](C)(F)CN)C1 258461978 573950398 /nfs/dbraw/zinc/95/03/98/573950398.db2.gz HEECORQAVYUUFP-HTQZYQBOSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@@H](CN1CCCC[C@@H]1CO)C(N)=[NH2+] 42432297 573950404 /nfs/dbraw/zinc/95/04/04/573950404.db2.gz LZCFOOWHDZIHHF-DTWKUNHWSA-N 1 3 199.298 0.405 10 0 ACAEHO C[C@H](CN1CCCC[C@@H]1CO)C(N)=[NH2+] 42432298 573950529 /nfs/dbraw/zinc/95/05/29/573950529.db2.gz LZCFOOWHDZIHHF-RKDXNWHRSA-N 1 3 199.298 0.405 10 0 ACAEHO C[N@@H+]1CC[C@H]([C@](C)(F)CN)C1 258461981 573950662 /nfs/dbraw/zinc/95/06/62/573950662.db2.gz HEECORQAVYUUFP-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO C[N@H+]1CC[C@H]([C@](C)(F)CN)C1 258461981 573950667 /nfs/dbraw/zinc/95/06/67/573950667.db2.gz HEECORQAVYUUFP-JGVFFNPUSA-N 1 3 160.236 0.625 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H](CNCCO)C1 45134693 573950690 /nfs/dbraw/zinc/95/06/90/573950690.db2.gz YGNHGRLPEYDRBP-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H](CNCCO)C1 45134693 573950693 /nfs/dbraw/zinc/95/06/93/573950693.db2.gz YGNHGRLPEYDRBP-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)N1CC[C@@H](C[NH2+]CCO)C1 45134693 573950698 /nfs/dbraw/zinc/95/06/98/573950698.db2.gz YGNHGRLPEYDRBP-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH+](C)C[C@H](O)CN[C@H]1CC1(C)C 45119269 573950727 /nfs/dbraw/zinc/95/07/27/573950727.db2.gz BIHNFLZKEUTEPE-BDAKNGLRSA-N 1 3 186.299 0.297 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](CN2CCOCC2)C1 85014239 573950882 /nfs/dbraw/zinc/95/08/82/573950882.db2.gz GKDOJCSFNDFOAJ-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@](F)(CN)C[C@H]1CC[NH2+]C1 258522753 573950957 /nfs/dbraw/zinc/95/09/57/573950957.db2.gz MKWBULOLIDDEPZ-HTQZYQBOSA-N 1 3 160.236 0.673 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H](CNCCO)C1 45134692 573953092 /nfs/dbraw/zinc/95/30/92/573953092.db2.gz YGNHGRLPEYDRBP-SNVBAGLBSA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)[N@H+]1CC[C@H](CNCCO)C1 45134692 573953094 /nfs/dbraw/zinc/95/30/94/573953094.db2.gz YGNHGRLPEYDRBP-SNVBAGLBSA-N 1 3 186.299 0.299 10 0 ACAEHO CC(C)N1CC[C@H](C[NH2+]CCO)C1 45134692 573953105 /nfs/dbraw/zinc/95/31/05/573953105.db2.gz YGNHGRLPEYDRBP-SNVBAGLBSA-N 1 3 186.299 0.299 10 0 ACAEHO [NH3+][C@H]1CC[C@H](CN2CCOCC2)C1 85014244 573953107 /nfs/dbraw/zinc/95/31/07/573953107.db2.gz GKDOJCSFNDFOAJ-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO CN(C)CCN(CC[NH3+])C1CCCC1 42428266 573952955 /nfs/dbraw/zinc/95/29/55/573952955.db2.gz FFQIYLOHNCBGLS-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[N@H+](CCCOC)C[C@H](C)CN 42443072 573954077 /nfs/dbraw/zinc/95/40/77/573954077.db2.gz YCOVENUMELJZEP-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CC[N@@H+](CCCOC)C[C@H](C)CN 42443072 573954080 /nfs/dbraw/zinc/95/40/80/573954080.db2.gz YCOVENUMELJZEP-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CCN(CCCOC)C[C@H](C)C[NH3+] 42443072 573954086 /nfs/dbraw/zinc/95/40/86/573954086.db2.gz YCOVENUMELJZEP-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCN(CC)C[C@H](C)C[NH3+] 42443001 573954238 /nfs/dbraw/zinc/95/42/38/573954238.db2.gz CJMFWRMPNRSRPD-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CNC[C@@H](F)C[C@H]1CC[NH2+]C1 257909830 573954357 /nfs/dbraw/zinc/95/43/57/573954357.db2.gz AIGOVNXSMDPYPT-SFYZADRCSA-N 1 3 160.236 0.544 10 0 ACAEHO CCOC1CC(N[C@@H](C)C2C[NH2+]C2)C1 686251490 573957032 /nfs/dbraw/zinc/95/70/32/573957032.db2.gz NANPQTCOUTVOIR-PUSIOWJLSA-N 1 3 198.310 0.751 10 0 ACAEHO CCOC1CC([NH2+][C@@H](C)C2CNC2)C1 686251490 573957036 /nfs/dbraw/zinc/95/70/36/573957036.db2.gz NANPQTCOUTVOIR-PUSIOWJLSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CO)C1CNC1 686251493 573956214 /nfs/dbraw/zinc/95/62/14/573956214.db2.gz NBNMENNBPGYUSM-ATZCPNFKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](N[C@@H]1CCC[C@H]1CO)C1C[NH2+]C1 686251493 573956217 /nfs/dbraw/zinc/95/62/17/573956217.db2.gz NBNMENNBPGYUSM-ATZCPNFKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[NH2+]CCCN[C@@H]1CC1(C)C 45137815 573956241 /nfs/dbraw/zinc/95/62/41/573956241.db2.gz AWDAVADKDLZTSH-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO [NH3+]C[C@@H]1C2CC(C2)N1C1CCC1 257911508 573956275 /nfs/dbraw/zinc/95/62/75/573956275.db2.gz AKZWMYKPKRUBBY-YXGXMSFMSA-N 1 3 166.268 0.960 10 0 ACAEHO CCCN(CCO)C[C@@H](C)C(N)=[NH2+] 42452858 573956341 /nfs/dbraw/zinc/95/63/41/573956341.db2.gz XBRYJBQYUKQFHX-MRVPVSSYSA-N 1 3 187.287 0.263 10 0 ACAEHO CCCN(CCO)CCC[NH2+]C 42453232 573956387 /nfs/dbraw/zinc/95/63/87/573956387.db2.gz FRQKTRZVMGPQIP-UHFFFAOYSA-N 1 3 174.288 0.300 10 0 ACAEHO CCC[N@H+](CCO)C[C@H](C)CN 42452541 573956824 /nfs/dbraw/zinc/95/68/24/573956824.db2.gz BYRHKUHUOWJCSX-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CO)C1CNC1 686251495 573956640 /nfs/dbraw/zinc/95/66/40/573956640.db2.gz NBNMENNBPGYUSM-NGZCFLSTSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](N[C@H]1CCC[C@@H]1CO)C1C[NH2+]C1 686251495 573956647 /nfs/dbraw/zinc/95/66/47/573956647.db2.gz NBNMENNBPGYUSM-NGZCFLSTSA-N 1 3 198.310 0.345 10 0 ACAEHO CCC[N@@H+](CCO)C[C@H](C)CN 42452541 573956829 /nfs/dbraw/zinc/95/68/29/573956829.db2.gz BYRHKUHUOWJCSX-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO CCCN(CCO)C[C@H](C)C[NH3+] 42452541 573956832 /nfs/dbraw/zinc/95/68/32/573956832.db2.gz BYRHKUHUOWJCSX-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO CCC[N@H+](CCO)[C@H](CC)CCN 42452545 573956679 /nfs/dbraw/zinc/95/66/79/573956679.db2.gz WRYMFOQYKJCMSM-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCC[N@@H+](CCO)[C@H](CC)CCN 42452545 573956683 /nfs/dbraw/zinc/95/66/83/573956683.db2.gz WRYMFOQYKJCMSM-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO C[NH2+][C@H](C)[C@@H](CN)C(C)C 259250370 573956840 /nfs/dbraw/zinc/95/68/40/573956840.db2.gz NRKCVKPTIRKRNG-SFYZADRCSA-N 1 3 144.262 0.825 10 0 ACAEHO CCC[N@H+](CCO)[C@@H](CC)CCN 42452543 573956913 /nfs/dbraw/zinc/95/69/13/573956913.db2.gz WRYMFOQYKJCMSM-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCC[N@@H+](CCO)[C@@H](CC)CCN 42452543 573956916 /nfs/dbraw/zinc/95/69/16/573956916.db2.gz WRYMFOQYKJCMSM-JTQLQIEISA-N 1 3 188.315 0.818 10 0 ACAEHO CCC[N@H+](CCO)C[C@@H](C)CN 42452539 573956931 /nfs/dbraw/zinc/95/69/31/573956931.db2.gz BYRHKUHUOWJCSX-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO CCC[N@@H+](CCO)C[C@@H](C)CN 42452539 573956934 /nfs/dbraw/zinc/95/69/34/573956934.db2.gz BYRHKUHUOWJCSX-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO CCCN(CCO)C[C@@H](C)C[NH3+] 42452539 573956939 /nfs/dbraw/zinc/95/69/39/573956939.db2.gz BYRHKUHUOWJCSX-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO C[NH2+][C@@H](C)[C@@H](CN)C(C)C 259250371 573958107 /nfs/dbraw/zinc/95/81/07/573958107.db2.gz NRKCVKPTIRKRNG-YUMQZZPRSA-N 1 3 144.262 0.825 10 0 ACAEHO C[N@@H+]1CCC[C@H]1Cc1cc(CN)[nH]n1 259249921 573958253 /nfs/dbraw/zinc/95/82/53/573958253.db2.gz NQBDUHAIVYDENE-JTQLQIEISA-N 1 3 194.282 0.505 10 0 ACAEHO C[C@H]1CN(C)CCCN1[C@@H]1CC[NH2+]C1 235675486 573958133 /nfs/dbraw/zinc/95/81/33/573958133.db2.gz SEXLHQYKCLXEST-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]([NH3+])c1c[nH]c(CN)c1 257911522 573958154 /nfs/dbraw/zinc/95/81/54/573958154.db2.gz ALNQPGAXWNXUEV-YFKPBYRVSA-N 1 3 139.202 0.493 10 0 ACAEHO C[N@H+]1CCC[C@H]1Cc1cc(CN)[nH]n1 259249921 573958257 /nfs/dbraw/zinc/95/82/57/573958257.db2.gz NQBDUHAIVYDENE-JTQLQIEISA-N 1 3 194.282 0.505 10 0 ACAEHO CC[C@@H](CC[NH3+])N(C)CCOC 42458442 573958185 /nfs/dbraw/zinc/95/81/85/573958185.db2.gz RVUZAMRZGKBMST-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO [NH3+]C[C@H]1C2CC(C2)N1C1CCC1 257911506 573958211 /nfs/dbraw/zinc/95/82/11/573958211.db2.gz AKZWMYKPKRUBBY-GDRRJGKNSA-N 1 3 166.268 0.960 10 0 ACAEHO C[C@H]1CNCC[N@@H+]([C@]2(C)CCOC2)C1 123196206 573958213 /nfs/dbraw/zinc/95/82/13/573958213.db2.gz JCMJHADDAFOTLB-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CNCC[N@H+]([C@]2(C)CCOC2)C1 123196206 573958217 /nfs/dbraw/zinc/95/82/17/573958217.db2.gz JCMJHADDAFOTLB-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H]([C@@H](N)CN(C)C)C1 258191094 573958278 /nfs/dbraw/zinc/95/82/78/573958278.db2.gz PAFOKJFIENCPQY-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H]([C@@H](N)CN(C)C)C1 258191094 573958284 /nfs/dbraw/zinc/95/82/84/573958284.db2.gz PAFOKJFIENCPQY-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)C2CNC2)C1 686251526 573958345 /nfs/dbraw/zinc/95/83/45/573958345.db2.gz NVULTVOSKOIWTP-DVVUODLYSA-N 1 3 198.310 0.751 10 0 ACAEHO CN(C)C1([C@@H]2CC[NH2+]C2)CC1 259249934 573958400 /nfs/dbraw/zinc/95/84/00/573958400.db2.gz LCUQBMGLFQIPIB-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO CC[C@H](N)CC[NH2+]C[C@H]1CCOC1 127880835 573958420 /nfs/dbraw/zinc/95/84/20/573958420.db2.gz LPRZWQGIMMWRAH-ZJUUUORDSA-N 1 3 186.299 0.740 10 0 ACAEHO CC[C@H](CN)[N@H+](C)C[C@@H]1CCCO1 42463590 573960514 /nfs/dbraw/zinc/96/05/14/573960514.db2.gz JHWOGPUNRZIYLH-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H](CN)[N@@H+](C)C[C@@H]1CCCO1 42463590 573960517 /nfs/dbraw/zinc/96/05/17/573960517.db2.gz JHWOGPUNRZIYLH-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)[N@H+](CCCO)[C@H](C)CCN 42499094 573959594 /nfs/dbraw/zinc/95/95/94/573959594.db2.gz VNVQCQYLDSSTLA-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)[N@@H+](CCCO)[C@H](C)CCN 42499094 573959599 /nfs/dbraw/zinc/95/95/99/573959599.db2.gz VNVQCQYLDSSTLA-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO CC(C)N(CCCO)[C@H](C)CC[NH3+] 42499094 573959602 /nfs/dbraw/zinc/95/96/02/573959602.db2.gz VNVQCQYLDSSTLA-SNVBAGLBSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[C@@H](CN)[N@H+](C)C[C@@H]1CCCO1 42463589 573959879 /nfs/dbraw/zinc/95/98/79/573959879.db2.gz JHWOGPUNRZIYLH-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@@H](CN)[N@@H+](C)C[C@@H]1CCCO1 42463589 573959882 /nfs/dbraw/zinc/95/98/82/573959882.db2.gz JHWOGPUNRZIYLH-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO [NH3+]CC12CCN(CC1)CC2(F)F 257922305 573960127 /nfs/dbraw/zinc/96/01/27/573960127.db2.gz RQCPPIWDMLMLNP-UHFFFAOYSA-N 1 3 176.210 0.676 10 0 ACAEHO CC1(C)COCCN1CCCC[NH3+] 42461243 573960200 /nfs/dbraw/zinc/96/02/00/573960200.db2.gz FVONEZCTXMQZMP-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO COC(C)(C)CN(C)C[C@@H](C)C[NH3+] 393600153 573960224 /nfs/dbraw/zinc/96/02/24/573960224.db2.gz QPHHKSQFDWATBB-VIFPVBQESA-N 1 3 188.315 0.938 10 0 ACAEHO COC(C)(C)C[N@H+](C)C[C@@H](C)CN 393600153 573960228 /nfs/dbraw/zinc/96/02/28/573960228.db2.gz QPHHKSQFDWATBB-VIFPVBQESA-N 1 3 188.315 0.938 10 0 ACAEHO COC(C)(C)C[N@@H+](C)C[C@@H](C)CN 393600153 573960232 /nfs/dbraw/zinc/96/02/32/573960232.db2.gz QPHHKSQFDWATBB-VIFPVBQESA-N 1 3 188.315 0.938 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H]([C@H](N)CN(C)C)C1 258191091 573960342 /nfs/dbraw/zinc/96/03/42/573960342.db2.gz PAFOKJFIENCPQY-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H]([C@H](N)CN(C)C)C1 258191091 573960346 /nfs/dbraw/zinc/96/03/46/573960346.db2.gz PAFOKJFIENCPQY-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H]([C@@H](N)CN(C)C)C1 258191097 573960497 /nfs/dbraw/zinc/96/04/97/573960497.db2.gz PAFOKJFIENCPQY-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[N@H+]1CC[C@H]([C@@H](N)CN(C)C)C1 258191097 573960498 /nfs/dbraw/zinc/96/04/98/573960498.db2.gz PAFOKJFIENCPQY-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO COC1(CN[C@H](C)C2C[NH2+]C2)CCC1 686251593 573960813 /nfs/dbraw/zinc/96/08/13/573960813.db2.gz QOYYWLAXUVKNDT-SECBINFHSA-N 1 3 198.310 0.753 10 0 ACAEHO COC1(C[NH2+][C@H](C)C2CNC2)CCC1 686251593 573960819 /nfs/dbraw/zinc/96/08/19/573960819.db2.gz QOYYWLAXUVKNDT-SECBINFHSA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@@H]([NH3+])CCNCCOC 127877828 573960822 /nfs/dbraw/zinc/96/08/22/573960822.db2.gz ZVNXGDOXPJPABF-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO CC(C)[N@@H+]1CC[C@H]([C@H](N)CN(C)C)C1 258191098 573960832 /nfs/dbraw/zinc/96/08/32/573960832.db2.gz PAFOKJFIENCPQY-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[N@H+]1CC[C@H]([C@H](N)CN(C)C)C1 258191098 573960838 /nfs/dbraw/zinc/96/08/38/573960838.db2.gz PAFOKJFIENCPQY-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO C[NH2+]CCN1CCN(C(C)(C)C)CC1 42462872 573960851 /nfs/dbraw/zinc/96/08/51/573960851.db2.gz SMSPICFYPIAYTK-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[C@@H](N)CC[NH2+]C[C@@H]1CCOC1 127880625 573960938 /nfs/dbraw/zinc/96/09/38/573960938.db2.gz LPRZWQGIMMWRAH-VHSXEESVSA-N 1 3 186.299 0.740 10 0 ACAEHO CC1(C)COCCN1CCCC(N)=[NH2+] 42462277 573961049 /nfs/dbraw/zinc/96/10/49/573961049.db2.gz WSPZDWOVGSEMQU-UHFFFAOYSA-N 1 3 199.298 0.813 10 0 ACAEHO C[N@H+](C[C@H]1CCCO1)C(C)(C)CN 42463646 573961195 /nfs/dbraw/zinc/96/11/95/573961195.db2.gz DUXMSGIBQYSLDJ-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[N@@H+](C[C@H]1CCCO1)C(C)(C)CN 42463646 573961199 /nfs/dbraw/zinc/96/11/99/573961199.db2.gz DUXMSGIBQYSLDJ-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCCC[N@H+](CCO)[C@H](C)CCN 42492053 573961276 /nfs/dbraw/zinc/96/12/76/573961276.db2.gz KIADKTWIISZJMD-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCCC[N@@H+](CCO)[C@H](C)CCN 42492053 573961280 /nfs/dbraw/zinc/96/12/80/573961280.db2.gz KIADKTWIISZJMD-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCCCN(CCO)[C@H](C)CC[NH3+] 42492053 573961286 /nfs/dbraw/zinc/96/12/86/573961286.db2.gz KIADKTWIISZJMD-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CC[C@H](N)CC[NH2+]C[C@@H]1CCOC1 127880369 573961297 /nfs/dbraw/zinc/96/12/97/573961297.db2.gz LPRZWQGIMMWRAH-UWVGGRQHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[N@H+](C[C@@H]1CCCO1)C(C)(C)CN 42463645 573961530 /nfs/dbraw/zinc/96/15/30/573961530.db2.gz DUXMSGIBQYSLDJ-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[N@@H+](C[C@@H]1CCCO1)C(C)(C)CN 42463645 573961533 /nfs/dbraw/zinc/96/15/33/573961533.db2.gz DUXMSGIBQYSLDJ-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO F[C@]1(C[NH2+]C2CCC2)CCNC1 257920234 573962181 /nfs/dbraw/zinc/96/21/81/573962181.db2.gz RITQIBNDGZBTSK-SECBINFHSA-N 1 3 172.247 0.830 10 0 ACAEHO CC[C@@H](CN)[N@H+](C)CCOC 42458696 573961682 /nfs/dbraw/zinc/96/16/82/573961682.db2.gz KWBRTYURNALLTQ-QMMMGPOBSA-N 1 3 160.261 0.302 10 0 ACAEHO CC[C@@H](CN)[N@@H+](C)CCOC 42458696 573961688 /nfs/dbraw/zinc/96/16/88/573961688.db2.gz KWBRTYURNALLTQ-QMMMGPOBSA-N 1 3 160.261 0.302 10 0 ACAEHO C[C@H](CN(C)C[C@@H]1CCOC1)C(N)=[NH2+] 42459887 573961822 /nfs/dbraw/zinc/96/18/22/573961822.db2.gz NRWAGXBZOYARET-BDAKNGLRSA-N 1 3 199.298 0.527 10 0 ACAEHO F[C@@]1(C[NH2+]C2CCC2)CCNC1 257920237 573961841 /nfs/dbraw/zinc/96/18/41/573961841.db2.gz RITQIBNDGZBTSK-VIFPVBQESA-N 1 3 172.247 0.830 10 0 ACAEHO CC[NH2+]CC(=O)[C@@H]1CCCN(C)C1 259250912 573961865 /nfs/dbraw/zinc/96/18/65/573961865.db2.gz SCFNGGGSYQSSDT-SECBINFHSA-N 1 3 184.283 0.507 10 0 ACAEHO CC[NH2+]CC(=O)[C@H]1CCCN(C)C1 259250919 573961896 /nfs/dbraw/zinc/96/18/96/573961896.db2.gz SCFNGGGSYQSSDT-VIFPVBQESA-N 1 3 184.283 0.507 10 0 ACAEHO CCCC[N@H+](CCO)C[C@@H](C)CN 42492030 573961920 /nfs/dbraw/zinc/96/19/20/573961920.db2.gz VNCYQSKEQXTZEV-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCCC[N@@H+](CCO)C[C@@H](C)CN 42492030 573961929 /nfs/dbraw/zinc/96/19/29/573961929.db2.gz VNCYQSKEQXTZEV-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCCCN(CCO)C[C@@H](C)C[NH3+] 42492030 573961933 /nfs/dbraw/zinc/96/19/33/573961933.db2.gz VNCYQSKEQXTZEV-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCCC[N@H+](CCO)C[C@H](C)CN 42492031 573961947 /nfs/dbraw/zinc/96/19/47/573961947.db2.gz VNCYQSKEQXTZEV-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CCCC[N@@H+](CCO)C[C@H](C)CN 42492031 573961950 /nfs/dbraw/zinc/96/19/50/573961950.db2.gz VNCYQSKEQXTZEV-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CCCCN(CCO)C[C@H](C)C[NH3+] 42492031 573961954 /nfs/dbraw/zinc/96/19/54/573961954.db2.gz VNCYQSKEQXTZEV-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CN(CCCC(N)=[NH2+])C[C@@H]1CCCO1 42464294 573962053 /nfs/dbraw/zinc/96/20/53/573962053.db2.gz OXUDAIAMSBWHLQ-VIFPVBQESA-N 1 3 199.298 0.813 10 0 ACAEHO CN1CCN(C/C=C/C[NH3+])CC1(C)C 85055122 573964201 /nfs/dbraw/zinc/96/42/01/573964201.db2.gz DQXGRPFABKWQOP-SNAWJCMRSA-N 1 3 197.326 0.527 10 0 ACAEHO CC[C@H]([NH3+])CCN(C)CCN(C)C 127897140 573964224 /nfs/dbraw/zinc/96/42/24/573964224.db2.gz XTIBLCOVKPDOAT-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO CN1CC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258191510 573964537 /nfs/dbraw/zinc/96/45/37/573964537.db2.gz ULSQRTNFAXYHJG-RKDXNWHRSA-N 1 3 170.256 0.274 10 0 ACAEHO C[C@@H]1CN(C/C=C/C[NH3+])CCCO1 85055019 573964628 /nfs/dbraw/zinc/96/46/28/573964628.db2.gz UCCIYIBHMHIFKB-VMZHVLLKSA-N 1 3 184.283 0.612 10 0 ACAEHO CC[C@H](C[NH3+])C(=O)C1CCN(C)CC1 259252267 573964764 /nfs/dbraw/zinc/96/47/64/573964764.db2.gz WUQWPVMKJUYANR-SECBINFHSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@H](C)N(C)CC[C@@H](C)[NH3+] 42518057 573964925 /nfs/dbraw/zinc/96/49/25/573964925.db2.gz YOJRPMWIPXXMNI-BDAKNGLRSA-N 1 3 174.288 0.690 10 0 ACAEHO CN(C)CCN1CCC[C@H]([NH3+])C1(C)C 259588295 573965493 /nfs/dbraw/zinc/96/54/93/573965493.db2.gz ZURGXEIOOIITED-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@@H]([NH3+])CCN1CCN(C)[C@H](C)C1 127893402 573965289 /nfs/dbraw/zinc/96/52/89/573965289.db2.gz ZBJBBNIEZJIFHE-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CC[C@@H]([C@H]2[NH2+]CCCO2)C1 258191500 573966327 /nfs/dbraw/zinc/96/63/27/573966327.db2.gz ULSQRTNFAXYHJG-BDAKNGLRSA-N 1 3 170.256 0.274 10 0 ACAEHO COCCN(CCCC(N)=[NH2+])C1CC1 42518458 573966902 /nfs/dbraw/zinc/96/69/02/573966902.db2.gz MLUUDOXSFXGJEU-UHFFFAOYSA-N 1 3 199.298 0.813 10 0 ACAEHO CN1CC[C@H]([C@@H]2[NH2+]CCCO2)C1 258191504 573967080 /nfs/dbraw/zinc/96/70/80/573967080.db2.gz ULSQRTNFAXYHJG-DTWKUNHWSA-N 1 3 170.256 0.274 10 0 ACAEHO CC[C@@H]([NH3+])CCN(C)CCN(C)C 127897356 573967157 /nfs/dbraw/zinc/96/71/57/573967157.db2.gz XTIBLCOVKPDOAT-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO CN(C)CCN1CCC[C@@H]([NH3+])C1(C)C 259588298 573967215 /nfs/dbraw/zinc/96/72/15/573967215.db2.gz ZURGXEIOOIITED-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CNC[C@@](C)(O)[C@H]1CCCCC[NH2+]1 85075219 573968599 /nfs/dbraw/zinc/96/85/99/573968599.db2.gz VVDQVNJWWBQPSL-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO COC[C@H](C)N(C)C[C@@H](C)C[NH3+] 42517495 573968367 /nfs/dbraw/zinc/96/83/67/573968367.db2.gz LGMLKBKMOMLSAT-IUCAKERBSA-N 1 3 174.288 0.548 10 0 ACAEHO C[NH2+]C[C@@](C)(O)[C@H]1CCCCCN1 85075219 573968602 /nfs/dbraw/zinc/96/86/02/573968602.db2.gz VVDQVNJWWBQPSL-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO COC[C@H](C)N(C)[C@@H](C)CC[NH3+] 42517542 573968398 /nfs/dbraw/zinc/96/83/98/573968398.db2.gz MCZPZDAEJAQPCO-IUCAKERBSA-N 1 3 174.288 0.690 10 0 ACAEHO CC[C@@H]1CCN[C@@H]([C@](C)(O)C[NH3+])C1 85075008 573968483 /nfs/dbraw/zinc/96/84/83/573968483.db2.gz KMBXOVBDQWRVTB-OPRDCNLKSA-N 1 3 186.299 0.474 10 0 ACAEHO CC[C@H]([NH3+])CCNC[C@@H]1CCCO1 127807016 573968494 /nfs/dbraw/zinc/96/84/94/573968494.db2.gz ADASWJJTLAJANJ-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO CC(C)CN(C[C@@H](O)C[NH3+])C1CC1 42556020 573968806 /nfs/dbraw/zinc/96/88/06/573968806.db2.gz GAVUKVIRRSPTBT-JTQLQIEISA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@](C)(O)C[NH3+])C1 85074806 573970170 /nfs/dbraw/zinc/97/01/70/573970170.db2.gz GTQIMDMWUZDELL-IWSPIJDZSA-N 1 3 172.272 0.084 10 0 ACAEHO CNC[C@](C)(O)[C@H]1CCCC[NH2+]1 85075514 573970413 /nfs/dbraw/zinc/97/04/13/573970413.db2.gz JIHNYEGWGVQCJU-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@](C)(O)[C@H]1CCCCN1 85075514 573970417 /nfs/dbraw/zinc/97/04/17/573970417.db2.gz JIHNYEGWGVQCJU-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@@](C)(O)[C@@H]1CCCCCN1 85075215 573970837 /nfs/dbraw/zinc/97/08/37/573970837.db2.gz VVDQVNJWWBQPSL-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@](C)(O)C[NH3+])C1 85074802 573970483 /nfs/dbraw/zinc/97/04/83/573970483.db2.gz GTQIMDMWUZDELL-HRDYMLBCSA-N 1 3 172.272 0.084 10 0 ACAEHO CC[C@@H]([NH3+])CCNC[C@@H]1CCCO1 127807243 573970637 /nfs/dbraw/zinc/97/06/37/573970637.db2.gz ADASWJJTLAJANJ-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO CCN[C@@H](C)[C@](C)(O)C[NH2+]C1CC1 85078090 573970702 /nfs/dbraw/zinc/97/07/02/573970702.db2.gz GRWKOZUKSFXLEO-WCBMZHEXSA-N 1 3 186.299 0.487 10 0 ACAEHO CNC[C@](C)(O)[C@@H]1CCCCC[NH2+]1 85075217 573970808 /nfs/dbraw/zinc/97/08/08/573970808.db2.gz VVDQVNJWWBQPSL-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO C[NH2+]C[C@](C)(O)[C@@H]1CCCCCN1 85075217 573970813 /nfs/dbraw/zinc/97/08/13/573970813.db2.gz VVDQVNJWWBQPSL-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO CNC[C@@](C)(O)[C@@H]1CCCCC[NH2+]1 85075215 573970832 /nfs/dbraw/zinc/97/08/32/573970832.db2.gz VVDQVNJWWBQPSL-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CCN1CCCC[C@@H]1CNC(N)=[NH2+] 238228555 573970894 /nfs/dbraw/zinc/97/08/94/573970894.db2.gz YDJWSILJCGOUFB-MRVPVSSYSA-N 1 3 184.287 0.344 10 0 ACAEHO C[NH2+]C[C@H](CN)C1CCOCC1 258193175 573970977 /nfs/dbraw/zinc/97/09/77/573970977.db2.gz PEKFXKWZPWCXJF-VIFPVBQESA-N 1 3 172.272 0.207 10 0 ACAEHO CNC[C@@](C)(O)[C@@H]1CCCC[NH2+]1 85075510 573971158 /nfs/dbraw/zinc/97/11/58/573971158.db2.gz JIHNYEGWGVQCJU-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@@](C)(O)[C@@H]1CCCCN1 85075510 573971163 /nfs/dbraw/zinc/97/11/63/573971163.db2.gz JIHNYEGWGVQCJU-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@H]([C@@H](C)CN)[NH+](C)C 259590394 573973161 /nfs/dbraw/zinc/97/31/61/573973161.db2.gz QFSJRZBCSLOSAQ-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@H]([C@@H](C)C[NH3+])N(C)C 259590394 573973167 /nfs/dbraw/zinc/97/31/67/573973167.db2.gz QFSJRZBCSLOSAQ-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@@](N)(CCC[NH+]1CCCC1)C(N)=O 45375360 573973252 /nfs/dbraw/zinc/97/32/52/573973252.db2.gz ZZPOFJXHEHRZFW-SNVBAGLBSA-N 1 3 199.298 0.065 10 0 ACAEHO CCC[C@H](CCO)NCC[NH3+] 716883937 573973476 /nfs/dbraw/zinc/97/34/76/573973476.db2.gz GQURTSPSXCUAPJ-MRVPVSSYSA-N 1 3 160.261 0.086 10 0 ACAEHO CC[C@H]([C@H](C)CN)[NH+](C)C 259590392 573974331 /nfs/dbraw/zinc/97/43/31/573974331.db2.gz QFSJRZBCSLOSAQ-HTQZYQBOSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@H]([C@H](C)C[NH3+])N(C)C 259590392 573974335 /nfs/dbraw/zinc/97/43/35/573974335.db2.gz QFSJRZBCSLOSAQ-HTQZYQBOSA-N 1 3 144.262 0.921 10 0 ACAEHO CCC[C@H](N(C)C)C1(C[NH3+])COC1 259588432 573974476 /nfs/dbraw/zinc/97/44/76/573974476.db2.gz QDFUTMYBUUMUGG-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CN(C)CC1([NH2+]CCN)CCC1 393575622 573977649 /nfs/dbraw/zinc/97/76/49/573977649.db2.gz QLUSNSIRRRSZMZ-UHFFFAOYSA-N 1 3 171.288 0.019 10 0 ACAEHO CN(C[C@@]1(C[NH3+])CCOC1)C1CCC1 127831649 573981017 /nfs/dbraw/zinc/98/10/17/573981017.db2.gz XJHZKDHVOGDSTC-NSHDSACASA-N 1 3 198.310 0.836 10 0 ACAEHO CC(F)(F)CCNCC1C[NH2+]C1 393600828 573980764 /nfs/dbraw/zinc/98/07/64/573980764.db2.gz RYOQUKZXERYUBA-UHFFFAOYSA-N 1 3 178.226 0.841 10 0 ACAEHO CCC1(CC)C(=N)NC(=[NH2+])NC1=N 238223676 573981567 /nfs/dbraw/zinc/98/15/67/573981567.db2.gz HHSAXNLRAGLXSZ-UHFFFAOYSA-N 1 3 181.243 0.456 10 0 ACAEHO CN(C[C@]1(C[NH3+])CCOC1)C1CCC1 127831392 573982028 /nfs/dbraw/zinc/98/20/28/573982028.db2.gz XJHZKDHVOGDSTC-LLVKDONJSA-N 1 3 198.310 0.836 10 0 ACAEHO NCC1(C[NH2+]C2CCOCC2)CC1 259032262 573982081 /nfs/dbraw/zinc/98/20/81/573982081.db2.gz ZOWJWYZJRXELJZ-UHFFFAOYSA-N 1 3 184.283 0.494 10 0 ACAEHO NCc1csc([C@H]2CC[NH2+]C2)n1 258195613 573983039 /nfs/dbraw/zinc/98/30/39/573983039.db2.gz STPNJMOEDLTKJM-LURJTMIESA-N 1 3 183.280 0.679 10 0 ACAEHO C1C[C@H]([C@@H]2C3CCN2CC3)C[NH2+]1 104456141 573987792 /nfs/dbraw/zinc/98/77/92/573987792.db2.gz LRRZEOUUOZOTAA-UWVGGRQHSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H]([C@H]2C3CCN2CC3)C[NH2+]1 104456145 573987832 /nfs/dbraw/zinc/98/78/32/573987832.db2.gz LRRZEOUUOZOTAA-NXEZZACHSA-N 1 3 166.268 0.690 10 0 ACAEHO CC[C@@H]([C@H](C)CN)[NH+](C)C 259592243 573988263 /nfs/dbraw/zinc/98/82/63/573988263.db2.gz QFSJRZBCSLOSAQ-SFYZADRCSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[C@@H]([C@H](C)C[NH3+])N(C)C 259592243 573988269 /nfs/dbraw/zinc/98/82/69/573988269.db2.gz QFSJRZBCSLOSAQ-SFYZADRCSA-N 1 3 144.262 0.921 10 0 ACAEHO N[C@]1(CO)CCC[N@@H+](C2CCC2)CC1 258196684 573989861 /nfs/dbraw/zinc/98/98/61/573989861.db2.gz WNOWGYSNMSFKLE-LLVKDONJSA-N 1 3 198.310 0.715 10 0 ACAEHO N[C@]1(CO)CCC[N@H+](C2CCC2)CC1 258196684 573989867 /nfs/dbraw/zinc/98/98/67/573989867.db2.gz WNOWGYSNMSFKLE-LLVKDONJSA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@]1(CO)CCCN(C2CCC2)CC1 258196684 573989868 /nfs/dbraw/zinc/98/98/68/573989868.db2.gz WNOWGYSNMSFKLE-LLVKDONJSA-N 1 3 198.310 0.715 10 0 ACAEHO C1C[C@H]([C@H]2C3CCN2CC3)C[NH2+]1 104456150 573990003 /nfs/dbraw/zinc/99/00/03/573990003.db2.gz LRRZEOUUOZOTAA-VHSXEESVSA-N 1 3 166.268 0.690 10 0 ACAEHO [NH3+]C1CC(NCC2(O)CCCC2)C1 87652062 573993388 /nfs/dbraw/zinc/99/33/88/573993388.db2.gz UMURZCGCLRJIFY-UHFFFAOYSA-N 1 3 184.283 0.371 10 0 ACAEHO C1C[NH2+]C[C@@H](CN[C@@H]2CCCOC2)C1 87647216 573991831 /nfs/dbraw/zinc/99/18/31/573991831.db2.gz YPKARCVLFDEOKH-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 87647216 573991835 /nfs/dbraw/zinc/99/18/35/573991835.db2.gz YPKARCVLFDEOKH-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO CCCN(CCN(C)C)[C@@H](C)C[NH3+] 45664228 573992290 /nfs/dbraw/zinc/99/22/90/573992290.db2.gz YCELEMBSMBDAQE-JTQLQIEISA-N 1 3 187.331 0.607 10 0 ACAEHO NC1CC([NH2+]CC2(O)CCCC2)C1 87652062 573993392 /nfs/dbraw/zinc/99/33/92/573993392.db2.gz UMURZCGCLRJIFY-UHFFFAOYSA-N 1 3 184.283 0.371 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCN(C3CC3)C2)C1 87651812 573993302 /nfs/dbraw/zinc/99/33/02/573993302.db2.gz UCFFKNNJRXCTFN-KYHHOPLUSA-N 1 3 195.310 0.302 10 0 ACAEHO NC1CC([NH2+]C2CCC2)C1 87651872 573993328 /nfs/dbraw/zinc/99/33/28/573993328.db2.gz OEFOEQOJXKPJDM-UHFFFAOYSA-N 1 3 140.230 0.618 10 0 ACAEHO [NH3+]C1CC(NC2CCC2)C1 87651872 573993333 /nfs/dbraw/zinc/99/33/33/573993333.db2.gz OEFOEQOJXKPJDM-UHFFFAOYSA-N 1 3 140.230 0.618 10 0 ACAEHO [NH3+]C1CC(NCC2(O)CCCCC2)C1 87652063 573994526 /nfs/dbraw/zinc/99/45/26/573994526.db2.gz USVYKQISLXHRFC-UHFFFAOYSA-N 1 3 198.310 0.761 10 0 ACAEHO NC1CC([NH2+]CC2(O)CCCCC2)C1 87652063 573994528 /nfs/dbraw/zinc/99/45/28/573994528.db2.gz USVYKQISLXHRFC-UHFFFAOYSA-N 1 3 198.310 0.761 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCCC[C@@H]2O)C1 87652040 573994411 /nfs/dbraw/zinc/99/44/11/573994411.db2.gz SZXMULFCUXBQJT-PMUOWJKOSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CN3CCC2CC3)C1 87651133 573994092 /nfs/dbraw/zinc/99/40/92/573994092.db2.gz DSZKKUXWXBOAFX-VQXHTEKXSA-N 1 3 195.310 0.160 10 0 ACAEHO CC(C)N1CC[C@@H](NCCC[NH3+])C1 45654840 573994102 /nfs/dbraw/zinc/99/41/02/573994102.db2.gz ZXMUAMFZQLQOQA-SNVBAGLBSA-N 1 3 185.315 0.408 10 0 ACAEHO CCN(CC)C1CN(CC[C@@H](C)[NH3+])C1 715112700 573994105 /nfs/dbraw/zinc/99/41/05/573994105.db2.gz ASGBDEIKPXZRRE-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCCC[C@H]2O)C1 87652041 573994124 /nfs/dbraw/zinc/99/41/24/573994124.db2.gz SZXMULFCUXBQJT-IDWGSYCQSA-N 1 3 198.310 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCCC[C@H]2O)C1 87652041 573994128 /nfs/dbraw/zinc/99/41/28/573994128.db2.gz SZXMULFCUXBQJT-IDWGSYCQSA-N 1 3 198.310 0.617 10 0 ACAEHO C[N@H+](C[C@@](C)(O)CN)C1CCC1 128021584 573994147 /nfs/dbraw/zinc/99/41/47/573994147.db2.gz WGSKZKSFYOCUPD-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO C[N@@H+](C[C@@](C)(O)CN)C1CCC1 128021584 573994151 /nfs/dbraw/zinc/99/41/51/573994151.db2.gz WGSKZKSFYOCUPD-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO CN(C[C@@](C)(O)C[NH3+])C1CCC1 128021584 573994156 /nfs/dbraw/zinc/99/41/56/573994156.db2.gz WGSKZKSFYOCUPD-VIFPVBQESA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](NC1CC([NH3+])C1)[C@@H]1CCCO1 87651282 573994177 /nfs/dbraw/zinc/99/41/77/573994177.db2.gz DMSPPZABTCMLIR-NFTFJBJSSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H]1C[C@@H]1NC1CC([NH3+])C1 87651874 573994294 /nfs/dbraw/zinc/99/42/94/573994294.db2.gz CEHZEQLVVZBQOH-UMULYZNJSA-N 1 3 140.230 0.474 10 0 ACAEHO C[C@H]1C[C@@H]1[NH2+]C1CC(N)C1 87651874 573994300 /nfs/dbraw/zinc/99/43/00/573994300.db2.gz CEHZEQLVVZBQOH-UMULYZNJSA-N 1 3 140.230 0.474 10 0 ACAEHO CCCC[NH2+]C1CC(N)C1 87651079 573994367 /nfs/dbraw/zinc/99/43/67/573994367.db2.gz PHPCVEZEVWOKOU-UHFFFAOYSA-N 1 3 142.246 0.866 10 0 ACAEHO CCCCNC1CC([NH3+])C1 87651079 573994370 /nfs/dbraw/zinc/99/43/70/573994370.db2.gz PHPCVEZEVWOKOU-UHFFFAOYSA-N 1 3 142.246 0.866 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 87652040 573994417 /nfs/dbraw/zinc/99/44/17/573994417.db2.gz SZXMULFCUXBQJT-PMUOWJKOSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCC[C@H](O)C2)C1 87651593 573994441 /nfs/dbraw/zinc/99/44/41/573994441.db2.gz MONYMVJTKGWZFD-LRHRNSLUSA-N 1 3 184.283 0.369 10 0 ACAEHO CCC12CNCCC1CC[NH2+]C2 238234193 573994514 /nfs/dbraw/zinc/99/45/14/573994514.db2.gz AUYMTAGLPCOARK-UHFFFAOYSA-N 1 3 168.284 0.986 10 0 ACAEHO NC1CC([NH2+][C@H]2CCC[C@H](O)C2)C1 87651593 573994447 /nfs/dbraw/zinc/99/44/47/573994447.db2.gz MONYMVJTKGWZFD-LRHRNSLUSA-N 1 3 184.283 0.369 10 0 ACAEHO CC(C)N1CC[C@H]([NH2+]CCN)C1 45654835 573994451 /nfs/dbraw/zinc/99/44/51/573994451.db2.gz GCZHUZZYKNDRPZ-VIFPVBQESA-N 1 3 171.288 0.017 10 0 ACAEHO CSCCNC1CC([NH3+])C1 87651966 573994456 /nfs/dbraw/zinc/99/44/56/573994456.db2.gz WCIDEHXAZPNEGD-UHFFFAOYSA-N 1 3 160.286 0.429 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]C1CC(N)C1 87651830 573994493 /nfs/dbraw/zinc/99/44/93/573994493.db2.gz ALSITQIELMOESL-RRQHEKLDSA-N 1 3 154.257 0.864 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]C1CC(N)C1 87651831 573994506 /nfs/dbraw/zinc/99/45/06/573994506.db2.gz ALSITQIELMOESL-KAVNDROISA-N 1 3 154.257 0.864 10 0 ACAEHO CC[NH2+]C1CC(N)C1 87651022 573997461 /nfs/dbraw/zinc/99/74/61/573997461.db2.gz QFLQAISUQUHZJX-UHFFFAOYSA-N 1 3 114.192 0.086 10 0 ACAEHO CCNC1CC([NH3+])C1 87651022 573997463 /nfs/dbraw/zinc/99/74/63/573997463.db2.gz QFLQAISUQUHZJX-UHFFFAOYSA-N 1 3 114.192 0.086 10 0 ACAEHO C[C@@H](CC[NH3+])C(=O)[C@@H]1CCCN(C)C1 259264229 573997432 /nfs/dbraw/zinc/99/74/32/573997432.db2.gz SXGIOYXDFAUXNY-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO CCN1CCC[C@H](NC2CC([NH3+])C2)C1 87651716 573995984 /nfs/dbraw/zinc/99/59/84/573995984.db2.gz MZGQNTCWZFRQFW-YVNMAJEFSA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H](NC2CC([NH3+])C2)C1 87651726 573996006 /nfs/dbraw/zinc/99/60/06/573996006.db2.gz QFHXUPKMFYSOJL-KYHHOPLUSA-N 1 3 183.299 0.160 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCOC2)C1 87651628 573996050 /nfs/dbraw/zinc/99/60/50/573996050.db2.gz DCCLTBSOIHLOIT-UEJVZZJDSA-N 1 3 170.256 0.102 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCOC2)C1 87651628 573996054 /nfs/dbraw/zinc/99/60/54/573996054.db2.gz DCCLTBSOIHLOIT-UEJVZZJDSA-N 1 3 170.256 0.102 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCCOC2)C1 87651947 573996082 /nfs/dbraw/zinc/99/60/82/573996082.db2.gz ZDQFSCBPKVXXPK-QJAFJHJLSA-N 1 3 170.256 0.245 10 0 ACAEHO NC1CC([NH2+]CC2CCOCC2)C1 87651952 573996100 /nfs/dbraw/zinc/99/61/00/573996100.db2.gz UVYOBKOVJIEMPM-UHFFFAOYSA-N 1 3 184.283 0.492 10 0 ACAEHO NC1CC([NH2+]CC2CCC2)C1 87651320 573996169 /nfs/dbraw/zinc/99/61/69/573996169.db2.gz LWBSQADDSQGTOJ-UHFFFAOYSA-N 1 3 154.257 0.866 10 0 ACAEHO [NH3+]C1CC(NCC2CCC2)C1 87651320 573996174 /nfs/dbraw/zinc/99/61/74/573996174.db2.gz LWBSQADDSQGTOJ-UHFFFAOYSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H]1C[C@H]1NC1CC([NH3+])C1 87651875 573996288 /nfs/dbraw/zinc/99/62/88/573996288.db2.gz CEHZEQLVVZBQOH-LFHVAVFRSA-N 1 3 140.230 0.474 10 0 ACAEHO C[C@@H]1C[C@H]1[NH2+]C1CC(N)C1 87651875 573996291 /nfs/dbraw/zinc/99/62/91/573996291.db2.gz CEHZEQLVVZBQOH-LFHVAVFRSA-N 1 3 140.230 0.474 10 0 ACAEHO CN1CCC[C@@H](NC2CC([NH3+])C2)C1 87651727 573996376 /nfs/dbraw/zinc/99/63/76/573996376.db2.gz QFHXUPKMFYSOJL-HWOCKDDLSA-N 1 3 183.299 0.160 10 0 ACAEHO NC1CC([NH2+]CCC2CC2)C1 87652087 573996414 /nfs/dbraw/zinc/99/64/14/573996414.db2.gz DJBVWNCPWZNXKF-UHFFFAOYSA-N 1 3 154.257 0.866 10 0 ACAEHO [NH3+]C1CC(NCCC2CC2)C1 87652087 573996417 /nfs/dbraw/zinc/99/64/17/573996417.db2.gz DJBVWNCPWZNXKF-UHFFFAOYSA-N 1 3 154.257 0.866 10 0 ACAEHO N[C@@H](CC[NH3+])c1ccc2[nH]cnc2c1 259263018 573996539 /nfs/dbraw/zinc/99/65/39/573996539.db2.gz IPHQUKRURCUCAD-QMMMGPOBSA-N 1 3 190.250 0.912 10 0 ACAEHO N[C@@H](CC[NH3+])c1ccc2nc[nH]c2c1 259263018 573996544 /nfs/dbraw/zinc/99/65/44/573996544.db2.gz IPHQUKRURCUCAD-QMMMGPOBSA-N 1 3 190.250 0.912 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCC[C@H]2O)C1 87652101 573996587 /nfs/dbraw/zinc/99/65/87/573996587.db2.gz NKLBAPHKBXXOHI-AUXWQGHOSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCC[C@H]2O)C1 87652101 573996589 /nfs/dbraw/zinc/99/65/89/573996589.db2.gz NKLBAPHKBXXOHI-AUXWQGHOSA-N 1 3 184.283 0.227 10 0 ACAEHO COC[C@H](C)NC1CC([NH3+])C1 87651066 573997491 /nfs/dbraw/zinc/99/74/91/573997491.db2.gz BBWLXCAQZBRERW-KKMMWDRVSA-N 1 3 158.245 0.101 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCCOC2)C1 87651946 573996632 /nfs/dbraw/zinc/99/66/32/573996632.db2.gz ZDQFSCBPKVXXPK-MGURRDGZSA-N 1 3 170.256 0.245 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCCC[C@H]2O)C1 87651870 573996877 /nfs/dbraw/zinc/99/68/77/573996877.db2.gz XLRDEAIMGFNOJP-HORUIINNSA-N 1 3 184.283 0.369 10 0 ACAEHO NC1CC([NH2+][C@H]2CCCC[C@H]2O)C1 87651870 573996880 /nfs/dbraw/zinc/99/68/80/573996880.db2.gz XLRDEAIMGFNOJP-HORUIINNSA-N 1 3 184.283 0.369 10 0 ACAEHO C[C@@H](NC1CC([NH3+])C1)[C@H]1CCCO1 87651285 573996909 /nfs/dbraw/zinc/99/69/09/573996909.db2.gz DMSPPZABTCMLIR-SEZDTBSWSA-N 1 3 184.283 0.633 10 0 ACAEHO NC1CC([NH2+]C2CCC(O)CC2)C1 87651113 573997024 /nfs/dbraw/zinc/99/70/24/573997024.db2.gz GTRQFFDCHRUCSK-UHFFFAOYSA-N 1 3 184.283 0.369 10 0 ACAEHO [NH3+]C1CC(NC2CCC(O)CC2)C1 87651113 573997030 /nfs/dbraw/zinc/99/70/30/573997030.db2.gz GTRQFFDCHRUCSK-UHFFFAOYSA-N 1 3 184.283 0.369 10 0 ACAEHO C[C@H]([NH2+]C1CC(N)C1)C1CC1 87651343 573997057 /nfs/dbraw/zinc/99/70/57/573997057.db2.gz DHRIOJXANUKOGY-GVWIPJJGSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@H](NC1CC([NH3+])C1)C1CC1 87651343 573997060 /nfs/dbraw/zinc/99/70/60/573997060.db2.gz DHRIOJXANUKOGY-GVWIPJJGSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@H](NC1CC([NH3+])C1)[C@H]1CCCO1 87651284 573997073 /nfs/dbraw/zinc/99/70/73/573997073.db2.gz DMSPPZABTCMLIR-AUXWQGHOSA-N 1 3 184.283 0.633 10 0 ACAEHO [NH3+]C1CC(NCCN2CCCC2)C1 87651207 573997125 /nfs/dbraw/zinc/99/71/25/573997125.db2.gz JSHMJTWXNOYKST-UHFFFAOYSA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCC[C@@H]2O)C1 87652103 573997160 /nfs/dbraw/zinc/99/71/60/573997160.db2.gz NKLBAPHKBXXOHI-NFTFJBJSSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCC[C@@H]2O)C1 87652103 573997165 /nfs/dbraw/zinc/99/71/65/573997165.db2.gz NKLBAPHKBXXOHI-NFTFJBJSSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCC[C@@H]2O)C1 87652102 573997221 /nfs/dbraw/zinc/99/72/21/573997221.db2.gz NKLBAPHKBXXOHI-WOOKNIGNSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCC[C@@H]2O)C1 87652102 573997226 /nfs/dbraw/zinc/99/72/26/573997226.db2.gz NKLBAPHKBXXOHI-WOOKNIGNSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CN3CCC2CC3)C1 87651134 573997242 /nfs/dbraw/zinc/99/72/42/573997242.db2.gz DSZKKUXWXBOAFX-ILDUYXDCSA-N 1 3 195.310 0.160 10 0 ACAEHO CCN1CCC[C@@H](NC2CC([NH3+])C2)C1 87651717 573997263 /nfs/dbraw/zinc/99/72/63/573997263.db2.gz MZGQNTCWZFRQFW-HSOILSAZSA-N 1 3 197.326 0.550 10 0 ACAEHO CNC(C)(C)[C@@H]([NH3+])C1CCOCC1 259262870 573997297 /nfs/dbraw/zinc/99/72/97/573997297.db2.gz IOAMDHBFTFSXLE-VIFPVBQESA-N 1 3 186.299 0.738 10 0 ACAEHO C[NH2+][C@H](c1cc[nH]c1)C1(CN)COC1 259262807 573998348 /nfs/dbraw/zinc/99/83/48/573998348.db2.gz OHZYDQGOPBSGLZ-SECBINFHSA-N 1 3 195.266 0.251 10 0 ACAEHO CCN[C@H](C)[C@@]1(O)CC[N@@H+]2CCC[C@@H]21 123341558 573998427 /nfs/dbraw/zinc/99/84/27/573998427.db2.gz YUVYISUTNDOKNY-MXWKQRLJSA-N 1 3 198.310 0.584 10 0 ACAEHO CCN[C@H](C)[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123341558 573998431 /nfs/dbraw/zinc/99/84/31/573998431.db2.gz YUVYISUTNDOKNY-MXWKQRLJSA-N 1 3 198.310 0.584 10 0 ACAEHO CC[NH2+][C@H](C)[C@@]1(O)CCN2CCC[C@@H]21 123341558 573998435 /nfs/dbraw/zinc/99/84/35/573998435.db2.gz YUVYISUTNDOKNY-MXWKQRLJSA-N 1 3 198.310 0.584 10 0 ACAEHO CC[C@@H]1CN(C2CC([NH3+])C2)CCN1C 87653552 573998658 /nfs/dbraw/zinc/99/86/58/573998658.db2.gz BUOCJIVHOXOZIP-HSOILSAZSA-N 1 3 197.326 0.502 10 0 ACAEHO [NH3+]C1CC(N2CCCC[C@@H]2CO)C1 87653297 573998674 /nfs/dbraw/zinc/99/86/74/573998674.db2.gz XZVKSQCVBVRSLM-HWOCKDDLSA-N 1 3 184.283 0.323 10 0 ACAEHO CC(C)N1CCN(C2CC([NH3+])C2)CC1 87653256 573998724 /nfs/dbraw/zinc/99/87/24/573998724.db2.gz WAHNYFBZPLWTAC-UHFFFAOYSA-N 1 3 197.326 0.502 10 0 ACAEHO CN1CCC[C@@H](N(C)C2CC([NH3+])C2)C1 87653484 573998737 /nfs/dbraw/zinc/99/87/37/573998737.db2.gz MGPFDDSHFCBCAN-HSOILSAZSA-N 1 3 197.326 0.502 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@H]1CCSC1 87653206 573998751 /nfs/dbraw/zinc/99/87/51/573998751.db2.gz RYKUDWFIHZSJSE-MGURRDGZSA-N 1 3 186.324 0.913 10 0 ACAEHO C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CNC1 686251930 573999964 /nfs/dbraw/zinc/99/99/64/573999964.db2.gz AAKFAFGPFGJNBB-NXEZZACHSA-N 1 3 198.310 0.611 10 0 ACAEHO NC1CC([N@@H+]2CCCC[C@H]2CCO)C1 87653156 573998920 /nfs/dbraw/zinc/99/89/20/573998920.db2.gz OIOWJRCMFBDMEM-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1CC([N@H+]2CCCC[C@H]2CCO)C1 87653156 573998922 /nfs/dbraw/zinc/99/89/22/573998922.db2.gz OIOWJRCMFBDMEM-YVNMAJEFSA-N 1 3 198.310 0.713 10 0 ACAEHO COCC1CCN(C2CC([NH3+])C2)CC1 87653573 573999012 /nfs/dbraw/zinc/99/90/12/573999012.db2.gz HCXRZUGEFUXJJQ-UHFFFAOYSA-N 1 3 198.310 0.835 10 0 ACAEHO O[C@]1([C@H]2CCC[NH2+]2)CCN2CCC[C@@H]21 123343706 573999019 /nfs/dbraw/zinc/99/90/19/573999019.db2.gz NEQBXLQBSFSQQH-MXWKQRLJSA-N 1 3 196.294 0.338 10 0 ACAEHO N[C@H](CC[NH3+])c1ccc2[nH]cnc2c1 259263016 573999090 /nfs/dbraw/zinc/99/90/90/573999090.db2.gz IPHQUKRURCUCAD-MRVPVSSYSA-N 1 3 190.250 0.912 10 0 ACAEHO N[C@H](CC[NH3+])c1ccc2nc[nH]c2c1 259263016 573999098 /nfs/dbraw/zinc/99/90/98/573999098.db2.gz IPHQUKRURCUCAD-MRVPVSSYSA-N 1 3 190.250 0.912 10 0 ACAEHO [NH3+]C1CC(N2CCC(CO)CC2)C1 87653185 573999137 /nfs/dbraw/zinc/99/91/37/573999137.db2.gz UDCRBPSDIAGFFH-UHFFFAOYSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@@H]([NH2+]CC[C@H]1CCOC1)C1CNC1 686251938 573999215 /nfs/dbraw/zinc/99/92/15/573999215.db2.gz AAKFAFGPFGJNBB-ZJUUUORDSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@H](CC[NH3+])C(=O)[C@H]1CCCN(C)C1 259264232 573999416 /nfs/dbraw/zinc/99/94/16/573999416.db2.gz SXGIOYXDFAUXNY-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO CN(C1CCOCC1)C1CC([NH3+])C1 87653271 573999991 /nfs/dbraw/zinc/99/99/91/573999991.db2.gz DMWOELKOCNTJLE-UHFFFAOYSA-N 1 3 184.283 0.587 10 0 ACAEHO CC(C)N(C)C1CC([NH3+])C1 87653138 573999472 /nfs/dbraw/zinc/99/94/72/573999472.db2.gz YIVRLFFBUDBHSI-UHFFFAOYSA-N 1 3 142.246 0.816 10 0 ACAEHO CC(C)[N@H+](C)C1CC(N)C1 87653138 573999475 /nfs/dbraw/zinc/99/94/75/573999475.db2.gz YIVRLFFBUDBHSI-UHFFFAOYSA-N 1 3 142.246 0.816 10 0 ACAEHO CC(C)[N@@H+](C)C1CC(N)C1 87653138 573999477 /nfs/dbraw/zinc/99/94/77/573999477.db2.gz YIVRLFFBUDBHSI-UHFFFAOYSA-N 1 3 142.246 0.816 10 0 ACAEHO CN1CCCN(C2CC([NH3+])C2)CC1 87653175 573999590 /nfs/dbraw/zinc/99/95/90/573999590.db2.gz JTJKXGVFOJEMLR-UHFFFAOYSA-N 1 3 183.299 0.114 10 0 ACAEHO CCCN(CCN(C)C)CC(N)=[NH2+] 45694602 573999694 /nfs/dbraw/zinc/99/96/94/573999694.db2.gz OOGNEXQKZPZILK-UHFFFAOYSA-N 1 3 186.303 0.196 10 0 ACAEHO CCN(C)C1CC([NH3+])C1 87653186 573999696 /nfs/dbraw/zinc/99/96/96/573999696.db2.gz MDTOIYVIBFNJHV-UHFFFAOYSA-N 1 3 128.219 0.428 10 0 ACAEHO CN(CC(C)(C)O)C1CC([NH3+])C1 87653643 573999715 /nfs/dbraw/zinc/99/97/15/573999715.db2.gz ASVVIERKSPQHDH-UHFFFAOYSA-N 1 3 172.272 0.179 10 0 ACAEHO CCCN1CCN(C2CC([NH3+])C2)CC1 87653143 573999778 /nfs/dbraw/zinc/99/97/78/573999778.db2.gz LJZSDYHGVBBLCZ-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]([NH2+]CC[C@@H]1CCOC1)C1CNC1 686251936 573999794 /nfs/dbraw/zinc/99/97/94/573999794.db2.gz AAKFAFGPFGJNBB-VHSXEESVSA-N 1 3 198.310 0.611 10 0 ACAEHO CN1CCN(C2CC([NH3+])C2)CC1(C)C 87653554 574000064 /nfs/dbraw/zinc/00/00/64/574000064.db2.gz RWFOEUFYCUZXPK-UHFFFAOYSA-N 1 3 197.326 0.502 10 0 ACAEHO CNC(C)(C)[C@H]([NH3+])C1CCOCC1 259262866 574000144 /nfs/dbraw/zinc/00/01/44/574000144.db2.gz IOAMDHBFTFSXLE-SECBINFHSA-N 1 3 186.299 0.738 10 0 ACAEHO C[C@@H](CC[NH3+])C(=O)[C@H]1CCCN(C)C1 259264227 574000232 /nfs/dbraw/zinc/00/02/32/574000232.db2.gz SXGIOYXDFAUXNY-UWVGGRQHSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]([NH2+]CC[C@H]1CCOC1)C1CNC1 686251932 574000237 /nfs/dbraw/zinc/00/02/37/574000237.db2.gz AAKFAFGPFGJNBB-UWVGGRQHSA-N 1 3 198.310 0.611 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@@H]1CCSC1 87653205 574000256 /nfs/dbraw/zinc/00/02/56/574000256.db2.gz RYKUDWFIHZSJSE-QJAFJHJLSA-N 1 3 186.324 0.913 10 0 ACAEHO CN(C[C@@](O)(C[NH3+])C1CC1)C1CCC1 128024124 574001764 /nfs/dbraw/zinc/00/17/64/574001764.db2.gz LWCNEPJQLXKVSP-NSHDSACASA-N 1 3 198.310 0.571 10 0 ACAEHO COC[C@H]1CC[N@@H+](C2CC(N)C2)C1 87653595 574001829 /nfs/dbraw/zinc/00/18/29/574001829.db2.gz ZJECHLPSCNZVAW-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO COC[C@H]1CC[N@H+](C2CC(N)C2)C1 87653595 574001835 /nfs/dbraw/zinc/00/18/35/574001835.db2.gz ZJECHLPSCNZVAW-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO COC[C@H]1CCN(C2CC([NH3+])C2)C1 87653595 574001840 /nfs/dbraw/zinc/00/18/40/574001840.db2.gz ZJECHLPSCNZVAW-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO NC1CC([N@@H+]2CCCC[C@@H]2CCO)C1 87653157 574001887 /nfs/dbraw/zinc/00/18/87/574001887.db2.gz OIOWJRCMFBDMEM-HSOILSAZSA-N 1 3 198.310 0.713 10 0 ACAEHO NC1CC([N@H+]2CCCC[C@@H]2CCO)C1 87653157 574001892 /nfs/dbraw/zinc/00/18/92/574001892.db2.gz OIOWJRCMFBDMEM-HSOILSAZSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CNC1 686252054 574002063 /nfs/dbraw/zinc/00/20/63/574002063.db2.gz CDRSUEGUAZLITD-ATZCPNFKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](NC[C@@H]1CCC[C@H]1O)C1C[NH2+]C1 686252054 574002068 /nfs/dbraw/zinc/00/20/68/574002068.db2.gz CDRSUEGUAZLITD-ATZCPNFKSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H](NC[C@H]1CCC[C@H]1O)C1C[NH2+]C1 686252057 574003658 /nfs/dbraw/zinc/00/36/58/574003658.db2.gz CDRSUEGUAZLITD-IQJOONFLSA-N 1 3 198.310 0.345 10 0 ACAEHO [NH3+][C@@]1(CO)CCCN(C2CCC2)CC1 258198522 574003040 /nfs/dbraw/zinc/00/30/40/574003040.db2.gz WNOWGYSNMSFKLE-NSHDSACASA-N 1 3 198.310 0.715 10 0 ACAEHO C[C@@H]1CCN1C[C@@H]1CC[NH2+]C1 87655447 574003365 /nfs/dbraw/zinc/00/33/65/574003365.db2.gz MOMNDPKZPWXPCP-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)C1CNC1 686252057 574003653 /nfs/dbraw/zinc/00/36/53/574003653.db2.gz CDRSUEGUAZLITD-IQJOONFLSA-N 1 3 198.310 0.345 10 0 ACAEHO Nc1ccncc1[C@@]1(O)CC[C@@H]([NH3+])C1 87654485 574003508 /nfs/dbraw/zinc/00/35/08/574003508.db2.gz FJEIMZCEDGLPQM-GMSGAONNSA-N 1 3 193.250 0.363 10 0 ACAEHO CCC1CN(C[C@@H]2CC[NH2+]C2)C1 87655435 574004562 /nfs/dbraw/zinc/00/45/62/574004562.db2.gz WWBXHYIANQETFJ-SNVBAGLBSA-N 1 3 168.284 0.938 10 0 ACAEHO Cn1ccnc1NC[C@H]1CC[NH2+]C1 87655400 574006175 /nfs/dbraw/zinc/00/61/75/574006175.db2.gz NLDMUZDOALFAGD-QMMMGPOBSA-N 1 3 180.255 0.442 10 0 ACAEHO C[C@H]1CN(C[C@@H]2C[C@@H]2C[NH3+])C[C@@H](C)O1 715115095 574006288 /nfs/dbraw/zinc/00/62/88/574006288.db2.gz OFMCKZOTUIIBNA-YTWAJWBKSA-N 1 3 198.310 0.690 10 0 ACAEHO Cn1c(C[NH2+]C2CC2)cnc1N 258200786 574006312 /nfs/dbraw/zinc/00/63/12/574006312.db2.gz ODCDVZIBUJXYLD-UHFFFAOYSA-N 1 3 166.228 0.254 10 0 ACAEHO C[C@H](CCN)[N@H+](C)C1CCN(C)CC1 48247965 574006739 /nfs/dbraw/zinc/00/67/39/574006739.db2.gz ZHKZJOBPLYDXQT-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)C1CCN(C)CC1 48247965 574006744 /nfs/dbraw/zinc/00/67/44/574006744.db2.gz ZHKZJOBPLYDXQT-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCCS2)C1 87667868 574009025 /nfs/dbraw/zinc/00/90/25/574009025.db2.gz OKWZMTCNEQIQFT-AMDVSUOASA-N 1 3 186.324 0.961 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCCS2)C1 87667868 574009029 /nfs/dbraw/zinc/00/90/29/574009029.db2.gz OKWZMTCNEQIQFT-AMDVSUOASA-N 1 3 186.324 0.961 10 0 ACAEHO C[C@H]1CN([C@H](C)N)CCC[N@@H+]1C 258201174 574009998 /nfs/dbraw/zinc/00/99/98/574009998.db2.gz PUYSKQZNTUKLGY-DTWKUNHWSA-N 1 3 171.288 0.317 10 0 ACAEHO C[C@H]1CN([C@H](C)N)CCC[N@H+]1C 258201174 574010002 /nfs/dbraw/zinc/01/00/02/574010002.db2.gz PUYSKQZNTUKLGY-DTWKUNHWSA-N 1 3 171.288 0.317 10 0 ACAEHO C[C@@H](N)N1CCC[N@H+](C)[C@H](C)C1 258201171 574010056 /nfs/dbraw/zinc/01/00/56/574010056.db2.gz PUYSKQZNTUKLGY-BDAKNGLRSA-N 1 3 171.288 0.317 10 0 ACAEHO C[C@@H](N)N1CCC[N@@H+](C)[C@H](C)C1 258201171 574010060 /nfs/dbraw/zinc/01/00/60/574010060.db2.gz PUYSKQZNTUKLGY-BDAKNGLRSA-N 1 3 171.288 0.317 10 0 ACAEHO C[C@H](N)N1CCC[N@H+](C)[C@H](C)C1 258201179 574010191 /nfs/dbraw/zinc/01/01/91/574010191.db2.gz PUYSKQZNTUKLGY-RKDXNWHRSA-N 1 3 171.288 0.317 10 0 ACAEHO C[C@H](N)N1CCC[N@@H+](C)[C@H](C)C1 258201179 574010196 /nfs/dbraw/zinc/01/01/96/574010196.db2.gz PUYSKQZNTUKLGY-RKDXNWHRSA-N 1 3 171.288 0.317 10 0 ACAEHO C[N@@H+]1CCC[C@@H](n2cncc2CN)C1 85197412 574010207 /nfs/dbraw/zinc/01/02/07/574010207.db2.gz LFHHFOGNSLWVEW-SECBINFHSA-N 1 3 194.282 0.609 10 0 ACAEHO C[N@H+]1CCC[C@@H](n2cncc2CN)C1 85197412 574010212 /nfs/dbraw/zinc/01/02/12/574010212.db2.gz LFHHFOGNSLWVEW-SECBINFHSA-N 1 3 194.282 0.609 10 0 ACAEHO C[N@@H+]1CC[C@H](Cc2cc(CN)[nH]n2)C1 259272696 574010729 /nfs/dbraw/zinc/01/07/29/574010729.db2.gz PCZVCNFPCBYTAA-MRVPVSSYSA-N 1 3 194.282 0.363 10 0 ACAEHO C[N@H+]1CC[C@H](Cc2cc(CN)[nH]n2)C1 259272696 574010732 /nfs/dbraw/zinc/01/07/32/574010732.db2.gz PCZVCNFPCBYTAA-MRVPVSSYSA-N 1 3 194.282 0.363 10 0 ACAEHO C[N@@H+]1CC[C@@H](Cc2cc(CN)[nH]n2)C1 259272700 574011562 /nfs/dbraw/zinc/01/15/62/574011562.db2.gz PCZVCNFPCBYTAA-QMMMGPOBSA-N 1 3 194.282 0.363 10 0 ACAEHO C[N@H+]1CC[C@@H](Cc2cc(CN)[nH]n2)C1 259272700 574011565 /nfs/dbraw/zinc/01/15/65/574011565.db2.gz PCZVCNFPCBYTAA-QMMMGPOBSA-N 1 3 194.282 0.363 10 0 ACAEHO CC(C)[NH2+]CC(=O)[C@@H]1CCCN(C)C1 259274018 574012802 /nfs/dbraw/zinc/01/28/02/574012802.db2.gz UJVRIWCUPHZPGK-SNVBAGLBSA-N 1 3 198.310 0.895 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H](CO)C1CCC1 717583444 574013810 /nfs/dbraw/zinc/01/38/10/574013810.db2.gz NDYOGTOEJDWDSW-OYNCUSHFSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@@H](CO)C1CCC1 717583447 574013820 /nfs/dbraw/zinc/01/38/20/574013820.db2.gz NDYOGTOEJDWDSW-XKSSXDPKSA-N 1 3 186.299 0.473 10 0 ACAEHO NC1(c2cccc(C3([NH3+])CC3)n2)CC1 104503610 574017103 /nfs/dbraw/zinc/01/71/03/574017103.db2.gz OTVZXOYGWOBBMC-UHFFFAOYSA-N 1 3 189.262 0.977 10 0 ACAEHO C[C@H]([NH3+])CC(=O)[C@H]1CCCN(C)C1 259274143 574019523 /nfs/dbraw/zinc/01/95/23/574019523.db2.gz UMVJRPRPNPRKBJ-IUCAKERBSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H]([NH3+])CC(=O)[C@@H]1CCCN(C)C1 259274141 574021081 /nfs/dbraw/zinc/02/10/81/574021081.db2.gz UMVJRPRPNPRKBJ-DTWKUNHWSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@@H]([NH3+])CC(=O)[C@@H]1CCCN(C)C1 259274145 574021136 /nfs/dbraw/zinc/02/11/36/574021136.db2.gz UMVJRPRPNPRKBJ-RKDXNWHRSA-N 1 3 184.283 0.635 10 0 ACAEHO NCc1cc(C[C@@H]2CCC[NH2+]2)n[nH]1 259277207 574023449 /nfs/dbraw/zinc/02/34/49/574023449.db2.gz PKDHFBPMBZMXLV-ZETCQYMHSA-N 1 3 180.255 0.163 10 0 ACAEHO NCc1cc(C[C@@H]2CCC[NH2+]2)[nH]n1 259277207 574023451 /nfs/dbraw/zinc/02/34/51/574023451.db2.gz PKDHFBPMBZMXLV-ZETCQYMHSA-N 1 3 180.255 0.163 10 0 ACAEHO C[NH2+][C@H](c1cccs1)[C@H](O)CN 259278946 574023328 /nfs/dbraw/zinc/02/33/28/574023328.db2.gz IFLJEZIGDMLNLJ-SVRRBLITSA-N 1 3 186.280 0.328 10 0 ACAEHO CN(c1ccncc1)C1C[NH2+]C1 85258481 574023198 /nfs/dbraw/zinc/02/31/98/574023198.db2.gz MPWNESZZOYZOCB-UHFFFAOYSA-N 1 3 163.224 0.490 10 0 ACAEHO NCc1cc(C[C@H]2CCC[NH2+]2)n[nH]1 259277201 574023228 /nfs/dbraw/zinc/02/32/28/574023228.db2.gz PKDHFBPMBZMXLV-SSDOTTSWSA-N 1 3 180.255 0.163 10 0 ACAEHO NCc1cc(C[C@H]2CCC[NH2+]2)[nH]n1 259277201 574023229 /nfs/dbraw/zinc/02/32/29/574023229.db2.gz PKDHFBPMBZMXLV-SSDOTTSWSA-N 1 3 180.255 0.163 10 0 ACAEHO C[C@H](O)C(C)(C)[NH2+]CCCN 128150645 574023231 /nfs/dbraw/zinc/02/32/31/574023231.db2.gz NSMHWZDJRHVCBD-ZETCQYMHSA-N 1 3 160.261 0.084 10 0 ACAEHO CCN(c1ccncc1)C1C[NH2+]C1 85270511 574024191 /nfs/dbraw/zinc/02/41/91/574024191.db2.gz OLOGOMHDBRINML-UHFFFAOYSA-N 1 3 177.251 0.880 10 0 ACAEHO CN1CCC([C@@H](O)C2([NH3+])CC2)CC1 259277422 574024424 /nfs/dbraw/zinc/02/44/24/574024424.db2.gz VKNHHSJTPYXBBQ-SECBINFHSA-N 1 3 184.283 0.180 10 0 ACAEHO CC[C@H](C)N1CC(N2CC[NH2+]CC2)C1 85279779 574027549 /nfs/dbraw/zinc/02/75/49/574027549.db2.gz HOSBRUCTUULZFB-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C 85287295 574027518 /nfs/dbraw/zinc/02/75/18/574027518.db2.gz UQPGZGIIDFYVHD-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1CC 85286570 574026817 /nfs/dbraw/zinc/02/68/17/574026817.db2.gz BOXYGQHOKABVGF-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284039 574026850 /nfs/dbraw/zinc/02/68/50/574026850.db2.gz MISIOWVQOKRPQS-XHNCKOQMSA-N 1 3 154.257 0.546 10 0 ACAEHO CNCc1ncccc1C[NH3+] 258467076 574027028 /nfs/dbraw/zinc/02/70/28/574027028.db2.gz HUHSNVQXBIWDQE-UHFFFAOYSA-N 1 3 151.213 0.260 10 0 ACAEHO CC(C)N1C2CC(C2)[C@@H]1C[NH3+] 258467096 574027075 /nfs/dbraw/zinc/02/70/75/574027075.db2.gz HULRYZQPICTNBF-HACHORDNSA-N 1 3 154.257 0.816 10 0 ACAEHO CC[C@@H](C)N1CC(N2CC[NH2+]CC2)C1 85279777 574027216 /nfs/dbraw/zinc/02/72/16/574027216.db2.gz HOSBRUCTUULZFB-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CC(C)(C)O 85285594 574027317 /nfs/dbraw/zinc/02/73/17/574027317.db2.gz MDIBXCSRMIYLSS-OPRDCNLKSA-N 1 3 198.310 0.297 10 0 ACAEHO CC1(C)CC[C@](N)(C[NH3+])C1 87772531 574027328 /nfs/dbraw/zinc/02/73/28/574027328.db2.gz JNGHFKXSCWPSBL-MRVPVSSYSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1CCN(C)C 85286020 574027404 /nfs/dbraw/zinc/02/74/04/574027404.db2.gz FGRRDKMHLPVCKE-GMTAPVOTSA-N 1 3 197.326 0.088 10 0 ACAEHO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1CCCO 85289347 574028987 /nfs/dbraw/zinc/02/89/87/574028987.db2.gz QHSJTDXPHAHFMS-VHSXEESVSA-N 1 3 198.310 0.299 10 0 ACAEHO CCCN1CCc2[nH+]c(N)[nH]c2C1 85279342 574028579 /nfs/dbraw/zinc/02/85/79/574028579.db2.gz PXQXALVIPFGUMA-UHFFFAOYSA-N 1 3 180.255 0.760 10 0 ACAEHO CCCN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284337 574028598 /nfs/dbraw/zinc/02/85/98/574028598.db2.gz ZGTXLPWOOSVEHG-LPEHRKFASA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1[C@@H]1CCOC1 85284272 574028625 /nfs/dbraw/zinc/02/86/25/574028625.db2.gz FPTNSSNDFMLGDE-DBIOUOCHSA-N 1 3 196.294 0.315 10 0 ACAEHO CCN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288073 574030105 /nfs/dbraw/zinc/03/01/05/574030105.db2.gz JANWFBSAUNNVPZ-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO Cc1nccn1CCN(C)CCC[NH3+] 49329562 574030106 /nfs/dbraw/zinc/03/01/06/574030106.db2.gz DYOCFVPWHZHOTM-UHFFFAOYSA-N 1 3 196.298 0.472 10 0 ACAEHO CN(C)[C@H](C1CCC1)C1(C[NH3+])COC1 259284455 574030279 /nfs/dbraw/zinc/03/02/79/574030279.db2.gz CNSWLTFAZLEMNZ-SNVBAGLBSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H](O)CN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289173 574030405 /nfs/dbraw/zinc/03/04/05/574030405.db2.gz JQZXYQQVMWAYES-GUBZILKMSA-N 1 3 198.310 0.297 10 0 ACAEHO COCCN1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289285 574030457 /nfs/dbraw/zinc/03/04/57/574030457.db2.gz BWODYQZDNNZJKA-UWVGGRQHSA-N 1 3 198.310 0.563 10 0 ACAEHO COCCN1C[C@H]2C[NH2+]C[C@H]2C1(C)C 85289277 574030490 /nfs/dbraw/zinc/03/04/90/574030490.db2.gz BWODYQZDNNZJKA-NXEZZACHSA-N 1 3 198.310 0.563 10 0 ACAEHO CCN1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288076 574030597 /nfs/dbraw/zinc/03/05/97/574030597.db2.gz JANWFBSAUNNVPZ-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H](C[NH3+])SC[C@@H]1CNCCO1 85302097 574030638 /nfs/dbraw/zinc/03/06/38/574030638.db2.gz YYHHVHKCAQFEEM-YUMQZZPRSA-N 1 3 190.312 0.055 10 0 ACAEHO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1CCCO 85289341 574030648 /nfs/dbraw/zinc/03/06/48/574030648.db2.gz QHSJTDXPHAHFMS-NXEZZACHSA-N 1 3 198.310 0.299 10 0 ACAEHO CC1(C)[C@H]2C[NH2+]C[C@@H]2CN1CCCO 85289344 574030784 /nfs/dbraw/zinc/03/07/84/574030784.db2.gz QHSJTDXPHAHFMS-ZJUUUORDSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](C[NH2+]C)[C@@H](C)N 259286747 574030926 /nfs/dbraw/zinc/03/09/26/574030926.db2.gz HPHBYOMSGDCLSA-RQJHMYQMSA-N 1 3 130.235 0.579 10 0 ACAEHO C[C@H](CO)[NH2+]CCCN1CCCC1 49332456 574031085 /nfs/dbraw/zinc/03/10/85/574031085.db2.gz BOZZBOFQMPJTPQ-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@H](CO)NCCC[NH+]1CCCC1 49332456 574031088 /nfs/dbraw/zinc/03/10/88/574031088.db2.gz BOZZBOFQMPJTPQ-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO C[NH+]1CCC(C[C@H]2CNCCO2)CC1 259285769 574031222 /nfs/dbraw/zinc/03/12/22/574031222.db2.gz ZITOJOCKRVVAQE-NSHDSACASA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH+]1CCC(C[C@@H]2CNCCO2)CC1 259285766 574031490 /nfs/dbraw/zinc/03/14/90/574031490.db2.gz ZITOJOCKRVVAQE-LLVKDONJSA-N 1 3 198.310 0.707 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N[C@@H]2CCOC2)C1 87784835 574035200 /nfs/dbraw/zinc/03/52/00/574035200.db2.gz BJKQOVCYUWAQCY-IWSPIJDZSA-N 1 3 170.256 0.245 10 0 ACAEHO O[C@@H]1C[NH2+]C[C@@H]1CNCC1CCCC1 393608892 574035039 /nfs/dbraw/zinc/03/50/39/574035039.db2.gz RLYZVABEIPVHFH-WDEREUQCSA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@@H]1CNC[C@@H]1C[NH2+]CC1CCCC1 393608892 574035043 /nfs/dbraw/zinc/03/50/43/574035043.db2.gz RLYZVABEIPVHFH-WDEREUQCSA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@@H]1C[NH2+]C[C@H]1CNCC1CCCC1 393608886 574035616 /nfs/dbraw/zinc/03/56/16/574035616.db2.gz RLYZVABEIPVHFH-GHMZBOCLSA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@@H]1CNC[C@H]1C[NH2+]CC1CCCC1 393608886 574035619 /nfs/dbraw/zinc/03/56/19/574035619.db2.gz RLYZVABEIPVHFH-GHMZBOCLSA-N 1 3 198.310 0.347 10 0 ACAEHO [NH3+]C1C2(CC2)CNCC12CC2 258469060 574035637 /nfs/dbraw/zinc/03/56/37/574035637.db2.gz IBPVXYOTANQBKI-UHFFFAOYSA-N 1 3 152.241 0.477 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCOC1 87784812 574036316 /nfs/dbraw/zinc/03/63/16/574036316.db2.gz ADTAMIRWIBJSIW-IVZWLZJFSA-N 1 3 184.283 0.492 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 87784812 574036318 /nfs/dbraw/zinc/03/63/18/574036318.db2.gz ADTAMIRWIBJSIW-IVZWLZJFSA-N 1 3 184.283 0.492 10 0 ACAEHO CCN1CCn2cnc(CC[NH3+])c2C1 258469999 574035832 /nfs/dbraw/zinc/03/58/32/574035832.db2.gz AGZBLEJREGKEPM-UHFFFAOYSA-N 1 3 194.282 0.220 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N[C@@H]2CCOC2)C1 87784833 574036328 /nfs/dbraw/zinc/03/63/28/574036328.db2.gz BJKQOVCYUWAQCY-HRDYMLBCSA-N 1 3 170.256 0.245 10 0 ACAEHO O[C@H]1C[NH2+]C[C@@H]1CNCC1CCCC1 393608890 574035958 /nfs/dbraw/zinc/03/59/58/574035958.db2.gz RLYZVABEIPVHFH-QWRGUYRKSA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@H]1CNC[C@@H]1C[NH2+]CC1CCCC1 393608890 574035959 /nfs/dbraw/zinc/03/59/59/574035959.db2.gz RLYZVABEIPVHFH-QWRGUYRKSA-N 1 3 198.310 0.347 10 0 ACAEHO C[N@@H+]1CCC[C@H](N[C@@H]2CCOC2)CC1 87784975 574035989 /nfs/dbraw/zinc/03/59/89/574035989.db2.gz XWISNMLKZHHXTO-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@H+]1CCC[C@H](N[C@@H]2CCOC2)CC1 87784975 574035993 /nfs/dbraw/zinc/03/59/93/574035993.db2.gz XWISNMLKZHHXTO-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCOC1 87784815 574036112 /nfs/dbraw/zinc/03/61/12/574036112.db2.gz ADTAMIRWIBJSIW-AEJSXWLSSA-N 1 3 184.283 0.492 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 87784815 574036114 /nfs/dbraw/zinc/03/61/14/574036114.db2.gz ADTAMIRWIBJSIW-AEJSXWLSSA-N 1 3 184.283 0.492 10 0 ACAEHO CN1CCC[C@@H](C(=O)C2C[NH2+]C2)C1 259292510 574037836 /nfs/dbraw/zinc/03/78/36/574037836.db2.gz VUZPRGHPNXLORU-MRVPVSSYSA-N 1 3 182.267 0.117 10 0 ACAEHO C1CC1[C@@H]1C[C@@H]1NC[C@]12C[NH2+]C[C@H]1C2 716976655 574038200 /nfs/dbraw/zinc/03/82/00/574038200.db2.gz KRSZWFOCSGOLCP-RHYQMDGZSA-N 1 3 192.306 0.984 10 0 ACAEHO CN1CCN[C@H]([C@@H]2CCC[N@H+](C)C2)C1 259296313 574041090 /nfs/dbraw/zinc/04/10/90/574041090.db2.gz QFQFHVWDXSZBAY-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCN[C@H]([C@@H]2CCC[N@@H+](C)C2)C1 259296313 574041093 /nfs/dbraw/zinc/04/10/93/574041093.db2.gz QFQFHVWDXSZBAY-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCN[C@H]([C@H]2CCC[N@H+](C)C2)C1 259296318 574040925 /nfs/dbraw/zinc/04/09/25/574040925.db2.gz QFQFHVWDXSZBAY-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCN[C@H]([C@H]2CCC[N@@H+](C)C2)C1 259296318 574040927 /nfs/dbraw/zinc/04/09/27/574040927.db2.gz QFQFHVWDXSZBAY-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+][C@@H](c1ccccc1)[C@H](O)CN 259296262 574040991 /nfs/dbraw/zinc/04/09/91/574040991.db2.gz IWKVLSFRCDYBPK-ZJUUUORDSA-N 1 3 180.251 0.267 10 0 ACAEHO C[NH2+][C@H](c1ccccc1)[C@H](O)CN 259296246 574042641 /nfs/dbraw/zinc/04/26/41/574042641.db2.gz IWKVLSFRCDYBPK-NXEZZACHSA-N 1 3 180.251 0.267 10 0 ACAEHO CN1CCN[C@@H]([C@@H]2CCC[N@H+](C)C2)C1 259296308 574042333 /nfs/dbraw/zinc/04/23/33/574042333.db2.gz QFQFHVWDXSZBAY-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCN[C@@H]([C@@H]2CCC[N@@H+](C)C2)C1 259296308 574042334 /nfs/dbraw/zinc/04/23/34/574042334.db2.gz QFQFHVWDXSZBAY-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCN[C@@H]([C@H]2CCC[N@H+](C)C2)C1 259296323 574042380 /nfs/dbraw/zinc/04/23/80/574042380.db2.gz QFQFHVWDXSZBAY-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCN[C@@H]([C@H]2CCC[N@@H+](C)C2)C1 259296323 574042383 /nfs/dbraw/zinc/04/23/83/574042383.db2.gz QFQFHVWDXSZBAY-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+][C@H](c1ccccc1)[C@@H](O)CN 259296258 574042782 /nfs/dbraw/zinc/04/27/82/574042782.db2.gz IWKVLSFRCDYBPK-VHSXEESVSA-N 1 3 180.251 0.267 10 0 ACAEHO CC[C@](C)([NH3+])C(C)(C)N 113107812 574045766 /nfs/dbraw/zinc/04/57/66/574045766.db2.gz TZGKDELLIKEUGH-ZETCQYMHSA-N 1 3 130.235 0.851 10 0 ACAEHO CC[C@](C)(N)C(C)(C)[NH3+] 113107812 574045768 /nfs/dbraw/zinc/04/57/68/574045768.db2.gz TZGKDELLIKEUGH-ZETCQYMHSA-N 1 3 130.235 0.851 10 0 ACAEHO CC[C@@](C)([NH3+])C(C)(C)N 113107809 574046061 /nfs/dbraw/zinc/04/60/61/574046061.db2.gz TZGKDELLIKEUGH-SSDOTTSWSA-N 1 3 130.235 0.851 10 0 ACAEHO CC[C@@](C)(N)C(C)(C)[NH3+] 113107809 574046063 /nfs/dbraw/zinc/04/60/63/574046063.db2.gz TZGKDELLIKEUGH-SSDOTTSWSA-N 1 3 130.235 0.851 10 0 ACAEHO CN1CCC[C@H](C(=O)[C@@H]2CCC[NH2+]2)C1 259300576 574046817 /nfs/dbraw/zinc/04/68/17/574046817.db2.gz WFBGBTYBBMRMHY-UWVGGRQHSA-N 1 3 196.294 0.649 10 0 ACAEHO C[N@H+]([C@@H]1CCOC1)C(C)(C)CN 113147866 574046287 /nfs/dbraw/zinc/04/62/87/574046287.db2.gz LOXJWEWVHFZIGT-MRVPVSSYSA-N 1 3 172.272 0.444 10 0 ACAEHO C[N@@H+]([C@@H]1CCOC1)C(C)(C)CN 113147866 574046289 /nfs/dbraw/zinc/04/62/89/574046289.db2.gz LOXJWEWVHFZIGT-MRVPVSSYSA-N 1 3 172.272 0.444 10 0 ACAEHO C[N@H+]([C@H]1CCOC1)C(C)(C)CN 113147868 574046481 /nfs/dbraw/zinc/04/64/81/574046481.db2.gz LOXJWEWVHFZIGT-QMMMGPOBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[N@@H+]([C@H]1CCOC1)C(C)(C)CN 113147868 574046482 /nfs/dbraw/zinc/04/64/82/574046482.db2.gz LOXJWEWVHFZIGT-QMMMGPOBSA-N 1 3 172.272 0.444 10 0 ACAEHO CN(C)CCN(C)[C@@H]1C[NH2+]C(C)(C)C1 131824670 574046683 /nfs/dbraw/zinc/04/66/83/574046683.db2.gz ROCFRKHGBZOIFW-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@@H]1C[NH2+][C@@H]1[C@H]1CCN(C)C1 259300253 574046838 /nfs/dbraw/zinc/04/68/38/574046838.db2.gz SJFRDRQMRKMRFB-VGMNWLOBSA-N 1 3 154.257 0.546 10 0 ACAEHO C[C@@H]1C[NH2+][C@H]1[C@@H]1CCN(C)C1 259300248 574046991 /nfs/dbraw/zinc/04/69/91/574046991.db2.gz SJFRDRQMRKMRFB-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO CC(C)CN1CCN(CCC[NH3+])CC1 19933685 486713020 /nfs/dbraw/zinc/71/30/20/486713020.db2.gz GOYODDGQSSLDKU-UHFFFAOYSA-N 1 3 199.342 0.609 10 0 ACAEHO [NH3+]CCCN1CCN(CC2CC2)CC1 19933687 486713230 /nfs/dbraw/zinc/71/32/30/486713230.db2.gz YKEAIHLJSFEQQU-UHFFFAOYSA-N 1 3 197.326 0.363 10 0 ACAEHO C[NH2+]CCCN(C)C1CCOCC1 42409641 486725122 /nfs/dbraw/zinc/72/51/22/486725122.db2.gz ZOEJAMOPPVVLHO-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO CNCCC[N@H+](C)C1CCOCC1 42409641 486725125 /nfs/dbraw/zinc/72/51/25/486725125.db2.gz ZOEJAMOPPVVLHO-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO CNCCC[N@@H+](C)C1CCOCC1 42409641 486725128 /nfs/dbraw/zinc/72/51/28/486725128.db2.gz ZOEJAMOPPVVLHO-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO CNCCC[NH2+]CC1CC1 43618951 486726343 /nfs/dbraw/zinc/72/63/43/486726343.db2.gz CMJQDDGIRIITAO-UHFFFAOYSA-N 1 3 142.246 0.596 10 0 ACAEHO C[NH2+][C@@H](C)CNCC1CC1 54077089 486754643 /nfs/dbraw/zinc/75/46/43/486754643.db2.gz QDHVUTMHVOWBDO-ZETCQYMHSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+][C@H](C)CNCC1CC1 54077090 486754681 /nfs/dbraw/zinc/75/46/81/486754681.db2.gz QDHVUTMHVOWBDO-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO CN(CC[NH3+])[C@@H]1CCN(C2CC2)C1 61991770 486764037 /nfs/dbraw/zinc/76/40/37/486764037.db2.gz UQUPJCFUZGQBFO-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN(CC[NH3+])[C@H]1CCN(C2CC2)C1 61991771 486764368 /nfs/dbraw/zinc/76/43/68/486764368.db2.gz UQUPJCFUZGQBFO-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO C[NH+](C)CCCN[C@@H]1CCCOC1 70011523 486779779 /nfs/dbraw/zinc/77/97/79/486779779.db2.gz XDKPDSPQLMOISP-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO C[NH+](C)CCCN[C@H]1CCCOC1 70011529 486779840 /nfs/dbraw/zinc/77/98/40/486779840.db2.gz XDKPDSPQLMOISP-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CC(C)[N@H+](CCCN)C[C@@H](C)O 83676372 486839849 /nfs/dbraw/zinc/83/98/49/486839849.db2.gz UYLRYPGWKBEVCG-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)[N@@H+](CCCN)C[C@@H](C)O 83676372 486839852 /nfs/dbraw/zinc/83/98/52/486839852.db2.gz UYLRYPGWKBEVCG-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)N(CCC[NH3+])C[C@@H](C)O 83676372 486839855 /nfs/dbraw/zinc/83/98/55/486839855.db2.gz UYLRYPGWKBEVCG-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)[N@H+](CCCN)C[C@H](C)O 83676374 486840164 /nfs/dbraw/zinc/84/01/64/486840164.db2.gz UYLRYPGWKBEVCG-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)[N@@H+](CCCN)C[C@H](C)O 83676374 486840170 /nfs/dbraw/zinc/84/01/70/486840170.db2.gz UYLRYPGWKBEVCG-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO CC(C)N(CCC[NH3+])C[C@H](C)O 83676374 486840172 /nfs/dbraw/zinc/84/01/72/486840172.db2.gz UYLRYPGWKBEVCG-VIFPVBQESA-N 1 3 174.288 0.426 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCO1 84217929 486855901 /nfs/dbraw/zinc/85/59/01/486855901.db2.gz WNEZNJDWPCHEIS-OUAUKWLOSA-N 1 3 198.310 0.882 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCO1 84217934 486855717 /nfs/dbraw/zinc/85/57/17/486855717.db2.gz WNEZNJDWPCHEIS-VWYCJHECSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](O)CC[NH2+][C@H]1CCC[C@H](N)C1 86404559 486880224 /nfs/dbraw/zinc/88/02/24/486880224.db2.gz GHRMFIUFXJYEJX-GUBZILKMSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CCN[C@H]1CCC[C@H]([NH3+])C1 86404559 486880231 /nfs/dbraw/zinc/88/02/31/486880231.db2.gz GHRMFIUFXJYEJX-GUBZILKMSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CC[NH2+][C@@H]1CCC[C@H](N)C1 86404556 486880779 /nfs/dbraw/zinc/88/07/79/486880779.db2.gz GHRMFIUFXJYEJX-LPEHRKFASA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](O)CCN[C@@H]1CCC[C@H]([NH3+])C1 86404556 486880785 /nfs/dbraw/zinc/88/07/85/486880785.db2.gz GHRMFIUFXJYEJX-LPEHRKFASA-N 1 3 186.299 0.617 10 0 ACAEHO CCN(CC)CCN[C@@H]1CC[NH2+]C1 86724774 486884011 /nfs/dbraw/zinc/88/40/11/486884011.db2.gz YPDUZKKVQNMDKQ-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CCN(CC)CCN[C@H]1CC[NH2+]C1 86724777 486884031 /nfs/dbraw/zinc/88/40/31/486884031.db2.gz YPDUZKKVQNMDKQ-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO CCN1CCC[C@H]1CN[C@@H]1CC[NH2+]C1 86724918 486884156 /nfs/dbraw/zinc/88/41/56/486884156.db2.gz XOUXDPYFHLXSQS-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)CC[NH2+][C@H]1CCNC1 86724668 486884339 /nfs/dbraw/zinc/88/43/39/486884339.db2.gz HSVNEUWZXNCBRX-VIFPVBQESA-N 1 3 156.273 0.984 10 0 ACAEHO CCCC[NH2+][C@@H]1CCNC1 86724578 486884618 /nfs/dbraw/zinc/88/46/18/486884618.db2.gz YNGCZNHIALLNCP-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CCN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1 86724915 486884699 /nfs/dbraw/zinc/88/46/99/486884699.db2.gz XOUXDPYFHLXSQS-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)CC[NH2+][C@@H]1CCNC1 86724665 486884720 /nfs/dbraw/zinc/88/47/20/486884720.db2.gz HSVNEUWZXNCBRX-SECBINFHSA-N 1 3 156.273 0.984 10 0 ACAEHO CCCC[NH2+][C@H]1CCNC1 86724580 486884852 /nfs/dbraw/zinc/88/48/52/486884852.db2.gz YNGCZNHIALLNCP-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO C1CCN(CCN[C@@H]2CC[NH2+]C2)CC1 86729414 486885354 /nfs/dbraw/zinc/88/53/54/486885354.db2.gz ACGWVUSJYYWSJR-LLVKDONJSA-N 1 3 197.326 0.424 10 0 ACAEHO CC(C)N(C)CCN[C@@H]1CC[NH2+]C1 86729833 486885424 /nfs/dbraw/zinc/88/54/24/486885424.db2.gz PISIJFOLYNURRO-SNVBAGLBSA-N 1 3 185.315 0.278 10 0 ACAEHO C1CCN(CCN[C@H]2CC[NH2+]C2)CC1 86729416 486885814 /nfs/dbraw/zinc/88/58/14/486885814.db2.gz ACGWVUSJYYWSJR-NSHDSACASA-N 1 3 197.326 0.424 10 0 ACAEHO CC(C)N(C)CCN[C@H]1CC[NH2+]C1 86729835 486886013 /nfs/dbraw/zinc/88/60/13/486886013.db2.gz PISIJFOLYNURRO-JTQLQIEISA-N 1 3 185.315 0.278 10 0 ACAEHO CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)COC1 87197379 486892387 /nfs/dbraw/zinc/89/23/87/486892387.db2.gz XNMXNCYAFCFRBQ-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO CC1(C[NH2+][C@H]2CCC[C@H](N)C2)COC1 87197380 486892483 /nfs/dbraw/zinc/89/24/83/486892483.db2.gz XNMXNCYAFCFRBQ-UWVGGRQHSA-N 1 3 198.310 0.882 10 0 ACAEHO CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)COC1 87197382 486892727 /nfs/dbraw/zinc/89/27/27/486892727.db2.gz XNMXNCYAFCFRBQ-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)COC1 87197381 486892781 /nfs/dbraw/zinc/89/27/81/486892781.db2.gz XNMXNCYAFCFRBQ-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@@H]([NH2+]CCCN)C(C)C 87479006 486897625 /nfs/dbraw/zinc/89/76/25/486897625.db2.gz MYGFYVBVEHJPTM-SECBINFHSA-N 1 3 174.288 0.596 10 0 ACAEHO COC[C@@H](NCCC[NH3+])C(C)C 87479006 486897627 /nfs/dbraw/zinc/89/76/27/486897627.db2.gz MYGFYVBVEHJPTM-SECBINFHSA-N 1 3 174.288 0.596 10 0 ACAEHO COC[C@H]([NH2+]CCCN)C(C)C 87479010 486897757 /nfs/dbraw/zinc/89/77/57/486897757.db2.gz MYGFYVBVEHJPTM-VIFPVBQESA-N 1 3 174.288 0.596 10 0 ACAEHO COC[C@H](NCCC[NH3+])C(C)C 87479010 486897759 /nfs/dbraw/zinc/89/77/59/486897759.db2.gz MYGFYVBVEHJPTM-VIFPVBQESA-N 1 3 174.288 0.596 10 0 ACAEHO COCCCNC[C@@H]([NH3+])CC(C)C 107785998 486921598 /nfs/dbraw/zinc/92/15/98/486921598.db2.gz JDQZNLQSTJFVSD-JTQLQIEISA-N 1 3 188.315 0.986 10 0 ACAEHO COCCCNC[C@H]([NH3+])CC(C)C 107786002 486921621 /nfs/dbraw/zinc/92/16/21/486921621.db2.gz JDQZNLQSTJFVSD-SNVBAGLBSA-N 1 3 188.315 0.986 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN 134532608 486941354 /nfs/dbraw/zinc/94/13/54/486941354.db2.gz OIHJWUYJNMLJFG-ZRUFSTJUSA-N 1 3 198.310 0.881 10 0 ACAEHO NCCC[NH2+]C1(CO)CCCC1 135301135 486942606 /nfs/dbraw/zinc/94/26/06/486942606.db2.gz CQCCGUWPSVSCJQ-UHFFFAOYSA-N 1 3 172.272 0.230 10 0 ACAEHO COC[C@H]1CCCN1CCC[NH3+] 148179299 486957845 /nfs/dbraw/zinc/95/78/45/486957845.db2.gz LOMHDPATGOUWOP-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COC[C@H]1CCC[N@@H+]1CCCN 148179299 486957850 /nfs/dbraw/zinc/95/78/50/486957850.db2.gz LOMHDPATGOUWOP-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COC[C@H]1CCC[N@H+]1CCCN 148179299 486957854 /nfs/dbraw/zinc/95/78/54/486957854.db2.gz LOMHDPATGOUWOP-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COC[C@@H]1CCCN1CCC[NH3+] 148177458 486958209 /nfs/dbraw/zinc/95/82/09/486958209.db2.gz LOMHDPATGOUWOP-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO COC[C@@H]1CCC[N@@H+]1CCCN 148177458 486958215 /nfs/dbraw/zinc/95/82/15/486958215.db2.gz LOMHDPATGOUWOP-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO COC[C@@H]1CCC[N@H+]1CCCN 148177458 486958220 /nfs/dbraw/zinc/95/82/20/486958220.db2.gz LOMHDPATGOUWOP-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO OC[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 159490313 486973671 /nfs/dbraw/zinc/97/36/71/486973671.db2.gz XMQWPICMELSRLH-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO OC[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 159490313 486973678 /nfs/dbraw/zinc/97/36/78/486973678.db2.gz XMQWPICMELSRLH-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO OC[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 159490313 486973680 /nfs/dbraw/zinc/97/36/80/486973680.db2.gz XMQWPICMELSRLH-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@H]1C[C@@H]1C 167544695 487000206 /nfs/dbraw/zinc/00/02/06/487000206.db2.gz CGLGOEZKSWYABN-DJLDLDEBSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@H]1C[C@H]1C 167544604 487000231 /nfs/dbraw/zinc/00/02/31/487000231.db2.gz CGLGOEZKSWYABN-IWSPIJDZSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@@H]1C[C@H]1C 167544802 487000321 /nfs/dbraw/zinc/00/03/21/487000321.db2.gz CGLGOEZKSWYABN-HLTSFMKQSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+][C@H](C)CNC[C@@H]1C[C@@H]1C 167544909 487000640 /nfs/dbraw/zinc/00/06/40/487000640.db2.gz CGLGOEZKSWYABN-YIZRAAEISA-N 1 3 156.273 0.840 10 0 ACAEHO CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 168609111 487004076 /nfs/dbraw/zinc/00/40/76/487004076.db2.gz XHEXTNRBMKZBAL-LLVKDONJSA-N 1 3 198.310 0.537 10 0 ACAEHO CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 168609213 487004165 /nfs/dbraw/zinc/00/41/65/487004165.db2.gz XHEXTNRBMKZBAL-NSHDSACASA-N 1 3 198.310 0.537 10 0 ACAEHO OCC1(NC[C@H]2CCC[NH2+]C2)CCC1 220391433 487030379 /nfs/dbraw/zinc/03/03/79/487030379.db2.gz ANYZFNNCZBCGDX-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO OCC1([NH2+]C[C@H]2CCCNC2)CCC1 220391433 487030383 /nfs/dbraw/zinc/03/03/83/487030383.db2.gz ANYZFNNCZBCGDX-JTQLQIEISA-N 1 3 198.310 0.491 10 0 ACAEHO COC[C@@H](C)C[N@@H+]1CC[C@@H](CN)C1 223426748 487034904 /nfs/dbraw/zinc/03/49/04/487034904.db2.gz FXHACTJMJWFKPG-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@@H](C)C[N@H+]1CC[C@@H](CN)C1 223426748 487034910 /nfs/dbraw/zinc/03/49/10/487034910.db2.gz FXHACTJMJWFKPG-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H](C)C[N@@H+]1CC[C@@H](CN)C1 223426793 487035087 /nfs/dbraw/zinc/03/50/87/487035087.db2.gz FXHACTJMJWFKPG-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H](C)C[N@H+]1CC[C@@H](CN)C1 223426793 487035093 /nfs/dbraw/zinc/03/50/93/487035093.db2.gz FXHACTJMJWFKPG-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO CO[C@@H](C)CN[C@@H]1CCC[NH2+]CC1 223869240 487035750 /nfs/dbraw/zinc/03/57/50/487035750.db2.gz MEMNRMLWOOYWPJ-VHSXEESVSA-N 1 3 186.299 0.753 10 0 ACAEHO CO[C@@H](C)CN[C@H]1CCC[NH2+]CC1 223869342 487036029 /nfs/dbraw/zinc/03/60/29/487036029.db2.gz MEMNRMLWOOYWPJ-UWVGGRQHSA-N 1 3 186.299 0.753 10 0 ACAEHO CO[C@H](C)CN[C@@H]1CCC[NH2+]CC1 223869301 487036102 /nfs/dbraw/zinc/03/61/02/487036102.db2.gz MEMNRMLWOOYWPJ-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO CO[C@H](C)CN[C@H]1CCC[NH2+]CC1 223869393 487036142 /nfs/dbraw/zinc/03/61/42/487036142.db2.gz MEMNRMLWOOYWPJ-ZJUUUORDSA-N 1 3 186.299 0.753 10 0 ACAEHO CO[C@H](C)CNC1CC[NH2+]CC1 224003559 487038692 /nfs/dbraw/zinc/03/86/92/487038692.db2.gz PUIPAYFHRQTOOJ-MRVPVSSYSA-N 1 3 172.272 0.363 10 0 ACAEHO CO[C@H](C)C[NH2+]C1CCNCC1 224003559 487038700 /nfs/dbraw/zinc/03/87/00/487038700.db2.gz PUIPAYFHRQTOOJ-MRVPVSSYSA-N 1 3 172.272 0.363 10 0 ACAEHO CO[C@@H](C)CNC1CC[NH2+]CC1 224003499 487039021 /nfs/dbraw/zinc/03/90/21/487039021.db2.gz PUIPAYFHRQTOOJ-QMMMGPOBSA-N 1 3 172.272 0.363 10 0 ACAEHO CO[C@@H](C)C[NH2+]C1CCNCC1 224003499 487039024 /nfs/dbraw/zinc/03/90/24/487039024.db2.gz PUIPAYFHRQTOOJ-QMMMGPOBSA-N 1 3 172.272 0.363 10 0 ACAEHO CCN(CCC[NH3+])[C@@H]1CCCOC1 224833003 487040306 /nfs/dbraw/zinc/04/03/06/487040306.db2.gz VYYSJPIAGUUHKJ-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CCN(CCC[NH3+])[C@H]1CCCOC1 224833048 487041044 /nfs/dbraw/zinc/04/10/44/487041044.db2.gz VYYSJPIAGUUHKJ-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO COC[C@@H](C)C[N@@H+]1CCC[C@@H](N)C1 227089106 487053582 /nfs/dbraw/zinc/05/35/82/487053582.db2.gz QGHXGPAPXCLVBZ-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@@H](C)C[N@H+]1CCC[C@@H](N)C1 227089106 487053584 /nfs/dbraw/zinc/05/35/84/487053584.db2.gz QGHXGPAPXCLVBZ-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@H](C)C[N@@H+]1CCC[C@@H](N)C1 227089110 487053911 /nfs/dbraw/zinc/05/39/11/487053911.db2.gz QGHXGPAPXCLVBZ-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@H](C)C[N@H+]1CCC[C@@H](N)C1 227089110 487053918 /nfs/dbraw/zinc/05/39/18/487053918.db2.gz QGHXGPAPXCLVBZ-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@@H]1C[C@@H]1C 228790345 487061957 /nfs/dbraw/zinc/06/19/57/487061957.db2.gz RORSCNCBNBYRKN-CIUDSAMLSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@H]1C[C@@H]1C 228790360 487062345 /nfs/dbraw/zinc/06/23/45/487062345.db2.gz RORSCNCBNBYRKN-XHNCKOQMSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@@H](O)C[NH2+]C1CCNCC1 229962740 487070294 /nfs/dbraw/zinc/07/02/94/487070294.db2.gz AVICVSXEUWODRU-SECBINFHSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@@H](O)CNC1CC[NH2+]CC1 229962740 487070297 /nfs/dbraw/zinc/07/02/97/487070297.db2.gz AVICVSXEUWODRU-SECBINFHSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@@H](O)CN[C@@H]1CCC[NH2+]CC1 229966911 487071074 /nfs/dbraw/zinc/07/10/74/487071074.db2.gz KFJXDRXXSBFSOT-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO CC[C@@H](O)CN[C@H]1CCC[NH2+]CC1 229966923 487071131 /nfs/dbraw/zinc/07/11/31/487071131.db2.gz KFJXDRXXSBFSOT-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CC1(CNC[C@H]2CC[NH2+]C2)CC1 232910900 487086549 /nfs/dbraw/zinc/08/65/49/487086549.db2.gz UOCHWSZGMIMTCY-VIFPVBQESA-N 1 3 168.284 0.986 10 0 ACAEHO CC1(CNC[C@@H]2CC[NH2+]C2)CC1 232892944 487086574 /nfs/dbraw/zinc/08/65/74/487086574.db2.gz UOCHWSZGMIMTCY-SECBINFHSA-N 1 3 168.284 0.986 10 0 ACAEHO C[NH2+][C@@H](C)CNCC1(C)CC1 234431405 487097243 /nfs/dbraw/zinc/09/72/43/487097243.db2.gz GIMMWKUJJVSZCU-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+][C@H](C)CNCC1(C)CC1 234437605 487097360 /nfs/dbraw/zinc/09/73/60/487097360.db2.gz GIMMWKUJJVSZCU-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@H](O)CN(C)C[C@H]1CCC[NH2+]C1 235246945 487102156 /nfs/dbraw/zinc/10/21/56/487102156.db2.gz AIQXMQPQQXFRPH-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@H](O)CN(C)C[C@H]1CCC[NH2+]C1 235541254 487106373 /nfs/dbraw/zinc/10/63/73/487106373.db2.gz AIQXMQPQQXFRPH-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CCN1CCC[C@H]1CN[C@H]1CC[NH2+]C1 250386341 487113424 /nfs/dbraw/zinc/11/34/24/487113424.db2.gz XOUXDPYFHLXSQS-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CCN1CCC[C@@H]1CN[C@H]1CC[NH2+]C1 250386345 487113570 /nfs/dbraw/zinc/11/35/70/487113570.db2.gz XOUXDPYFHLXSQS-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO OC[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 252789110 487127687 /nfs/dbraw/zinc/12/76/87/487127687.db2.gz XMQWPICMELSRLH-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN 252744821 487127340 /nfs/dbraw/zinc/12/73/40/487127340.db2.gz OIHJWUYJNMLJFG-VLEAKVRGSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN 252744820 487127502 /nfs/dbraw/zinc/12/75/02/487127502.db2.gz OIHJWUYJNMLJFG-NAKRPEOUSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN 252744822 487127507 /nfs/dbraw/zinc/12/75/07/487127507.db2.gz OIHJWUYJNMLJFG-XWLWVQCSSA-N 1 3 198.310 0.881 10 0 ACAEHO OC[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 252789110 487127692 /nfs/dbraw/zinc/12/76/92/487127692.db2.gz XMQWPICMELSRLH-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO OC[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 252789110 487127696 /nfs/dbraw/zinc/12/76/96/487127696.db2.gz XMQWPICMELSRLH-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@H]1C[C@H]1C 252965096 487130156 /nfs/dbraw/zinc/13/01/56/487130156.db2.gz RORSCNCBNBYRKN-HRDYMLBCSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H](N)CC[NH2+]C[C@@H]1C[C@H]1C 252965097 487130700 /nfs/dbraw/zinc/13/07/00/487130700.db2.gz RORSCNCBNBYRKN-VGMNWLOBSA-N 1 3 156.273 0.969 10 0 ACAEHO COC[C@@H](C)CN1CCC[C@H]1C[NH3+] 253108641 487131559 /nfs/dbraw/zinc/13/15/59/487131559.db2.gz FDYRNZHUWHEMFK-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@H](C)CN1CCC[C@H]1C[NH3+] 253108642 487131937 /nfs/dbraw/zinc/13/19/37/487131937.db2.gz FDYRNZHUWHEMFK-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@@H]1CN(CCC[NH3+])CC[C@H]1C 299917153 487139978 /nfs/dbraw/zinc/13/99/78/487139978.db2.gz TZBKXXRHDADXEB-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H]1CN(CCC[NH3+])CC[C@H]1C 299917155 487140824 /nfs/dbraw/zinc/14/08/24/487140824.db2.gz TZBKXXRHDADXEB-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](N[C@@H]1CCC[C@H]1O)[C@H]1CC[NH2+]C1 306985711 487171518 /nfs/dbraw/zinc/17/15/18/487171518.db2.gz NUECYSYNKAJZGF-UKKRHICBSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H](N[C@@H]1CCC[C@H]1O)[C@@H]1CC[NH2+]C1 306985709 487171583 /nfs/dbraw/zinc/17/15/83/487171583.db2.gz NUECYSYNKAJZGF-LNFKQOIKSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CC2CNC2)[C@@H]1C 307003042 487172124 /nfs/dbraw/zinc/17/21/24/487172124.db2.gz IPVAIEQOVBDCMT-MRTMQBJTSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@@H]1[C@@H]([NH2+]CC2CNC2)C[C@H]1C 307003047 487172229 /nfs/dbraw/zinc/17/22/29/487172229.db2.gz IPVAIEQOVBDCMT-WEDXCCLWSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]CC1CNC1 307003039 487172279 /nfs/dbraw/zinc/17/22/79/487172279.db2.gz IPVAIEQOVBDCMT-KHQFGBGNSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CC2CNC2)[C@@H]1C 307003044 487172450 /nfs/dbraw/zinc/17/24/50/487172450.db2.gz IPVAIEQOVBDCMT-NQMVMOMDSA-N 1 3 168.284 0.840 10 0 ACAEHO CN(C[C@H](O)C[NH3+])CC1(C)CCC1 308426449 487200658 /nfs/dbraw/zinc/20/06/58/487200658.db2.gz XBOMXRIHYAKUAM-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CN(C[C@@H](O)C[NH3+])CC1(C)CCC1 308426450 487200665 /nfs/dbraw/zinc/20/06/65/487200665.db2.gz XBOMXRIHYAKUAM-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)([NH3+])CNC[C@@H](O)C(C)(C)C 324409627 487225170 /nfs/dbraw/zinc/22/51/70/487225170.db2.gz KAYJREDNVADCJX-MRVPVSSYSA-N 1 3 188.315 0.720 10 0 ACAEHO CC(C)([NH3+])CNC[C@H](O)C(C)(C)C 324409629 487225310 /nfs/dbraw/zinc/22/53/10/487225310.db2.gz KAYJREDNVADCJX-QMMMGPOBSA-N 1 3 188.315 0.720 10 0 ACAEHO CC(C)(C)NCCNC1=[NH+]CCCN1 380010635 487247797 /nfs/dbraw/zinc/24/77/97/487247797.db2.gz RJYOBBKIZPUAOZ-UHFFFAOYSA-N 1 3 198.314 0.313 10 0 ACAEHO C[C@@H](CNC1=[NH+]CCCN1)CN(C)C 386310700 487256302 /nfs/dbraw/zinc/25/63/02/487256302.db2.gz SJHQCIGGLHZZSD-VIFPVBQESA-N 1 3 198.314 0.123 10 0 ACAEHO C[C@H](CNC1=[NH+]CCCN1)CN(C)C 386310699 487256583 /nfs/dbraw/zinc/25/65/83/487256583.db2.gz SJHQCIGGLHZZSD-SECBINFHSA-N 1 3 198.314 0.123 10 0 ACAEHO CCCN1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 389320845 487264314 /nfs/dbraw/zinc/26/43/14/487264314.db2.gz GKAZPAAGMGTLGN-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CCCN1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 389320852 487264464 /nfs/dbraw/zinc/26/44/64/487264464.db2.gz GKAZPAAGMGTLGN-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO CCCN1CC[C@H](N[C@H]2CC[NH2+]C2)C1 389320849 487264480 /nfs/dbraw/zinc/26/44/80/487264480.db2.gz GKAZPAAGMGTLGN-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CCCN1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 389320841 487264538 /nfs/dbraw/zinc/26/45/38/487264538.db2.gz GKAZPAAGMGTLGN-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CCC[C@@H](C)CN(C)C[C@@H](O)C[NH3+] 393592795 487266611 /nfs/dbraw/zinc/26/66/11/487266611.db2.gz YHNJUIXEMJPOER-ZJUUUORDSA-N 1 3 188.315 0.674 10 0 ACAEHO CCC[C@H](C)CN(C)C[C@H](O)C[NH3+] 393592794 487266727 /nfs/dbraw/zinc/26/67/27/487266727.db2.gz YHNJUIXEMJPOER-VHSXEESVSA-N 1 3 188.315 0.674 10 0 ACAEHO CCC[C@H](C)CN(C)C[C@@H](O)C[NH3+] 393592793 487266813 /nfs/dbraw/zinc/26/68/13/487266813.db2.gz YHNJUIXEMJPOER-UWVGGRQHSA-N 1 3 188.315 0.674 10 0 ACAEHO CCC[C@@H](C)CN(C)C[C@H](O)C[NH3+] 393592792 487266768 /nfs/dbraw/zinc/26/67/68/487266768.db2.gz YHNJUIXEMJPOER-NXEZZACHSA-N 1 3 188.315 0.674 10 0 ACAEHO C[C@H](NC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 400335408 487286778 /nfs/dbraw/zinc/28/67/78/487286778.db2.gz FFJSFFQQZCBIRU-DCAQKATOSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](NC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 400335411 487287022 /nfs/dbraw/zinc/28/70/22/487287022.db2.gz FFJSFFQQZCBIRU-GARJFASQSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](NC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 400335412 487287291 /nfs/dbraw/zinc/28/72/91/487287291.db2.gz FFJSFFQQZCBIRU-HBNTYKKESA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H](NC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 400335406 487287213 /nfs/dbraw/zinc/28/72/13/487287213.db2.gz FFJSFFQQZCBIRU-AXFHLTTASA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H](C)CN[C@H](C)[C@@H]1CC[NH2+]C1 400346527 487287692 /nfs/dbraw/zinc/28/76/92/487287692.db2.gz KQMVCPVFVHTOGJ-OPRDCNLKSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H](C)CN[C@@H](C)[C@@H]1CC[NH2+]C1 400346526 487287916 /nfs/dbraw/zinc/28/79/16/487287916.db2.gz KQMVCPVFVHTOGJ-KXUCPTDWSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H](C)CN[C@H](C)[C@H]1CC[NH2+]C1 400346525 487287923 /nfs/dbraw/zinc/28/79/23/487287923.db2.gz KQMVCPVFVHTOGJ-BBBLOLIVSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H](C)CN[C@@H](C)[C@H]1CC[NH2+]C1 400346528 487288002 /nfs/dbraw/zinc/28/80/02/487288002.db2.gz KQMVCPVFVHTOGJ-UTLUCORTSA-N 1 3 186.299 0.609 10 0 ACAEHO CC(C)[N@H+]1C[C@H](CN)[C@@H](C)C1 606246985 487302219 /nfs/dbraw/zinc/30/22/19/487302219.db2.gz YHIKZTBZSNWPGS-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](CN)[C@@H](C)C1 606246985 487302220 /nfs/dbraw/zinc/30/22/20/487302220.db2.gz YHIKZTBZSNWPGS-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)[C@@H](CN)C1 606243505 487302235 /nfs/dbraw/zinc/30/22/35/487302235.db2.gz OYJOXXNMUXYAOI-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[N@H+]1C[C@@H](C)[C@@H](CN)C1 606243505 487302236 /nfs/dbraw/zinc/30/22/36/487302236.db2.gz OYJOXXNMUXYAOI-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[N@H+]1C[C@H](CN)[C@@H](C)C1 606243509 487302245 /nfs/dbraw/zinc/30/22/45/487302245.db2.gz OYJOXXNMUXYAOI-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[N@@H+]1C[C@H](CN)[C@@H](C)C1 606243509 487302246 /nfs/dbraw/zinc/30/22/46/487302246.db2.gz OYJOXXNMUXYAOI-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](CN)C1 606246984 487302271 /nfs/dbraw/zinc/30/22/71/487302271.db2.gz YHIKZTBZSNWPGS-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[N@H+]1C[C@H](C)[C@H](CN)C1 606246984 487302274 /nfs/dbraw/zinc/30/22/74/487302274.db2.gz YHIKZTBZSNWPGS-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](CN)C1 606246986 487302371 /nfs/dbraw/zinc/30/23/71/487302371.db2.gz YHIKZTBZSNWPGS-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](CN)C1 606246986 487302376 /nfs/dbraw/zinc/30/23/76/487302376.db2.gz YHIKZTBZSNWPGS-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 606246977 487302415 /nfs/dbraw/zinc/30/24/15/487302415.db2.gz YHIKZTBZSNWPGS-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](CN)C1 606246977 487302419 /nfs/dbraw/zinc/30/24/19/487302419.db2.gz YHIKZTBZSNWPGS-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO C[NH2+]CCN[C@@H]1CCC[C@@H]1C 666778792 487337019 /nfs/dbraw/zinc/33/70/19/487337019.db2.gz AFQRSHNJLOSGFK-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]CCN[C@H]1CCC[C@@H]1C 666778793 487337059 /nfs/dbraw/zinc/33/70/59/487337059.db2.gz AFQRSHNJLOSGFK-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]CCN[C@H]1CCC[C@H]1C 666778791 487337147 /nfs/dbraw/zinc/33/71/47/487337147.db2.gz AFQRSHNJLOSGFK-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]CCN[C@@H]1CCC[C@H]1C 666778794 487337394 /nfs/dbraw/zinc/33/73/94/487337394.db2.gz AFQRSHNJLOSGFK-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CNCCC[NH2+]C[C@@H](C)COC 666808130 487339566 /nfs/dbraw/zinc/33/95/66/487339566.db2.gz VQMMVEOPCFNKDC-SECBINFHSA-N 1 3 174.288 0.468 10 0 ACAEHO C[NH2+]CCCNC[C@@H](C)COC 666808130 487339571 /nfs/dbraw/zinc/33/95/71/487339571.db2.gz VQMMVEOPCFNKDC-SECBINFHSA-N 1 3 174.288 0.468 10 0 ACAEHO CNCCC[NH2+]C[C@H](C)COC 666808131 487340080 /nfs/dbraw/zinc/34/00/80/487340080.db2.gz VQMMVEOPCFNKDC-VIFPVBQESA-N 1 3 174.288 0.468 10 0 ACAEHO C[NH2+]CCCNC[C@H](C)COC 666808131 487340081 /nfs/dbraw/zinc/34/00/81/487340081.db2.gz VQMMVEOPCFNKDC-VIFPVBQESA-N 1 3 174.288 0.468 10 0 ACAEHO C[C@H]1OCC[C@@H]1NCC[C@H]1CCC[NH2+]1 666848622 487342077 /nfs/dbraw/zinc/34/20/77/487342077.db2.gz QCTGLGJMUIKTTM-MXWKQRLJSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H]1OCC[C@H]1NCC[C@H]1CCC[NH2+]1 666848620 487342258 /nfs/dbraw/zinc/34/22/58/487342258.db2.gz QCTGLGJMUIKTTM-GMTAPVOTSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1OCC[C@@H]1NCC[C@H]1CCC[NH2+]1 666848617 487342451 /nfs/dbraw/zinc/34/24/51/487342451.db2.gz QCTGLGJMUIKTTM-AXFHLTTASA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1OCC[C@H]1NCC[C@H]1CCC[NH2+]1 666848621 487342532 /nfs/dbraw/zinc/34/25/32/487342532.db2.gz QCTGLGJMUIKTTM-HBNTYKKESA-N 1 3 198.310 0.896 10 0 ACAEHO COCC[N@H+]1CCCC12CCNCC2 757129978 582458618 /nfs/dbraw/zinc/45/86/18/582458618.db2.gz NIBARGRVZXSLHF-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO COCC[N@@H+]1CCCC12CCNCC2 757129978 582458616 /nfs/dbraw/zinc/45/86/16/582458616.db2.gz NIBARGRVZXSLHF-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO COCCN1CCCC12CC[NH2+]CC2 757129978 582458620 /nfs/dbraw/zinc/45/86/20/582458620.db2.gz NIBARGRVZXSLHF-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CN(C)CCN1CCC[C@]12CC[NH2+]C2 757132940 582458938 /nfs/dbraw/zinc/45/89/38/582458938.db2.gz SGFPODUBWOZCGZ-LLVKDONJSA-N 1 3 197.326 0.376 10 0 ACAEHO CN(C)CCN1CCC[C@@]12CC[NH2+]C2 757132953 582459229 /nfs/dbraw/zinc/45/92/29/582459229.db2.gz SGFPODUBWOZCGZ-NSHDSACASA-N 1 3 197.326 0.376 10 0 ACAEHO C1C[NH2+]C2(CCN(C3CC3)CC2)OC1 757139252 582461838 /nfs/dbraw/zinc/46/18/38/582461838.db2.gz FGZBKMHLEYFHAD-UHFFFAOYSA-N 1 3 196.294 0.951 10 0 ACAEHO C1CC2(C1)[NH2+]CCC1(CNC1)O2 757142235 582463084 /nfs/dbraw/zinc/46/30/84/582463084.db2.gz BPLPLHYCFGEZOL-UHFFFAOYSA-N 1 3 168.240 0.219 10 0 ACAEHO C1CC2(C1)NCCC1(C[NH2+]C1)O2 757142235 582463085 /nfs/dbraw/zinc/46/30/85/582463085.db2.gz BPLPLHYCFGEZOL-UHFFFAOYSA-N 1 3 168.240 0.219 10 0 ACAEHO C1CCC2(C1)[NH2+]CCC1(CNC1)O2 757142241 582463198 /nfs/dbraw/zinc/46/31/98/582463198.db2.gz BRNCHFLHBGIFCO-UHFFFAOYSA-N 1 3 182.267 0.609 10 0 ACAEHO CCC1(CC)[NH2+]CCC2(CNC2)O1 757143668 582463737 /nfs/dbraw/zinc/46/37/37/582463737.db2.gz FDEBPZISKUWHQA-UHFFFAOYSA-N 1 3 184.283 0.855 10 0 ACAEHO C1CC2(CCN1)[NH2+][C@H](C1CC1)CCO2 757147543 582465091 /nfs/dbraw/zinc/46/50/91/582465091.db2.gz SHXQGRUOIJGTBI-JTQLQIEISA-N 1 3 196.294 0.855 10 0 ACAEHO C1CC2(CCN1)[NH2+][C@@H](C1CC1)CCO2 757147553 582465561 /nfs/dbraw/zinc/46/55/61/582465561.db2.gz SHXQGRUOIJGTBI-SNVBAGLBSA-N 1 3 196.294 0.855 10 0 ACAEHO [NH3+]C[C@@H]1CCN1c1ccncc1 757153005 582467553 /nfs/dbraw/zinc/46/75/53/582467553.db2.gz SGCJKTXOSCRIHA-VIFPVBQESA-N 1 3 163.224 0.619 10 0 ACAEHO N[C@@H]1CCCC[C@H]1C(=[NH2+])NO 757164903 582468915 /nfs/dbraw/zinc/46/89/15/582468915.db2.gz FGDMQXSFVUSFNV-PHDIDXHHSA-N 1 3 157.217 0.460 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1C(=[NH2+])NO 757164892 582469003 /nfs/dbraw/zinc/46/90/03/582469003.db2.gz FGDMQXSFVUSFNV-NTSWFWBYSA-N 1 3 157.217 0.460 10 0 ACAEHO N[C@H]1CCCC[C@@H]1C(=[NH2+])NO 757164914 582469025 /nfs/dbraw/zinc/46/90/25/582469025.db2.gz FGDMQXSFVUSFNV-WDSKDSINSA-N 1 3 157.217 0.460 10 0 ACAEHO N[C@H]1CCCC[C@H]1C(=[NH2+])NO 757164907 582469034 /nfs/dbraw/zinc/46/90/34/582469034.db2.gz FGDMQXSFVUSFNV-RITPCOANSA-N 1 3 157.217 0.460 10 0 ACAEHO C1COC[C@@H](CCC2CC[NH2+]CC2)N1 757169361 582470353 /nfs/dbraw/zinc/47/03/53/582470353.db2.gz FLTVHYSBFFRHQH-LLVKDONJSA-N 1 3 198.310 0.755 10 0 ACAEHO C1COC[C@H](CCC2CC[NH2+]CC2)N1 757169364 582470530 /nfs/dbraw/zinc/47/05/30/582470530.db2.gz FLTVHYSBFFRHQH-NSHDSACASA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC2(C[C@@H]3CC[C@H](C2)[NH2+]3)N1 757172916 582471533 /nfs/dbraw/zinc/47/15/33/582471533.db2.gz UZWLEUFQJMMSCH-JVHMLUBASA-N 1 3 152.241 0.633 10 0 ACAEHO CC(C)C[C@H]1CNC[C@H]([NH3+])C1 757217857 582472986 /nfs/dbraw/zinc/47/29/86/582472986.db2.gz SVCOYVPNILRQQA-RKDXNWHRSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(C)C[C@@H]1CNC[C@H]([NH3+])C1 757217855 582472999 /nfs/dbraw/zinc/47/29/99/582472999.db2.gz SVCOYVPNILRQQA-DTWKUNHWSA-N 1 3 156.273 0.969 10 0 ACAEHO CC(C)C[C@@H]1CNC[C@@H]([NH3+])C1 757217856 582473005 /nfs/dbraw/zinc/47/30/05/582473005.db2.gz SVCOYVPNILRQQA-IUCAKERBSA-N 1 3 156.273 0.969 10 0 ACAEHO CC[C@H]1CNC[C@@H]([NH3+])C1 757219458 582473019 /nfs/dbraw/zinc/47/30/19/582473019.db2.gz XAPRYTSOPXAHTL-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@H]1CNC[C@H]([NH3+])C1 757219454 582473052 /nfs/dbraw/zinc/47/30/52/582473052.db2.gz XAPRYTSOPXAHTL-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@@H]1CNC[C@H]([NH3+])C1 757219452 582473066 /nfs/dbraw/zinc/47/30/66/582473066.db2.gz XAPRYTSOPXAHTL-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CC(C)C[C@H]1CNC[C@@H]([NH3+])C1 757217854 582473079 /nfs/dbraw/zinc/47/30/79/582473079.db2.gz SVCOYVPNILRQQA-BDAKNGLRSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1CC[N@H+](CCn2ccnc2N)C1 702566566 582495112 /nfs/dbraw/zinc/49/51/12/582495112.db2.gz JRDMBBHITRQBAB-SECBINFHSA-N 1 3 194.282 0.807 10 0 ACAEHO C[C@@H]1CC[N@@H+](CCn2ccnc2N)C1 702566566 582495114 /nfs/dbraw/zinc/49/51/14/582495114.db2.gz JRDMBBHITRQBAB-SECBINFHSA-N 1 3 194.282 0.807 10 0 ACAEHO C[N@@H+]1CCC[C@H]1CCn1ccnc1N 702567323 582495271 /nfs/dbraw/zinc/49/52/71/582495271.db2.gz YFRMBCNZFXJPDB-VIFPVBQESA-N 1 3 194.282 0.950 10 0 ACAEHO C[N@H+]1CCC[C@H]1CCn1ccnc1N 702567323 582495272 /nfs/dbraw/zinc/49/52/72/582495272.db2.gz YFRMBCNZFXJPDB-VIFPVBQESA-N 1 3 194.282 0.950 10 0 ACAEHO C[C@H]1CC[N@H+](CCn2ccnc2N)C1 702566567 582495387 /nfs/dbraw/zinc/49/53/87/582495387.db2.gz JRDMBBHITRQBAB-VIFPVBQESA-N 1 3 194.282 0.807 10 0 ACAEHO C[C@H]1CC[N@@H+](CCn2ccnc2N)C1 702566567 582495390 /nfs/dbraw/zinc/49/53/90/582495390.db2.gz JRDMBBHITRQBAB-VIFPVBQESA-N 1 3 194.282 0.807 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1CCn1ccnc1N 702567321 582495461 /nfs/dbraw/zinc/49/54/61/582495461.db2.gz YFRMBCNZFXJPDB-SECBINFHSA-N 1 3 194.282 0.950 10 0 ACAEHO C[N@H+]1CCC[C@@H]1CCn1ccnc1N 702567321 582495463 /nfs/dbraw/zinc/49/54/63/582495463.db2.gz YFRMBCNZFXJPDB-SECBINFHSA-N 1 3 194.282 0.950 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H](CN)C1 146789043 582496511 /nfs/dbraw/zinc/49/65/11/582496511.db2.gz KAPCNGFSQWRNMJ-RNFRBKRXSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](CN)C1 146788871 582496587 /nfs/dbraw/zinc/49/65/87/582496587.db2.gz KAPCNGFSQWRNMJ-NKWVEPMBSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H](CN)C1 146789245 582496616 /nfs/dbraw/zinc/49/66/16/582496616.db2.gz KAPCNGFSQWRNMJ-BQBZGAKWSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H](CN)C1 146789452 582496658 /nfs/dbraw/zinc/49/66/58/582496658.db2.gz KAPCNGFSQWRNMJ-RQJHMYQMSA-N 1 3 128.219 0.191 10 0 ACAEHO C1CC[C@@]2(CC[NH2+]C2)CNC1 142500325 582524730 /nfs/dbraw/zinc/52/47/30/582524730.db2.gz VSCPZQWJUATQIL-SECBINFHSA-N 1 3 154.257 0.740 10 0 ACAEHO C1CC[C@]2(CC[NH2+]C2)CNC1 142500543 582524740 /nfs/dbraw/zinc/52/47/40/582524740.db2.gz VSCPZQWJUATQIL-VIFPVBQESA-N 1 3 154.257 0.740 10 0 ACAEHO N[C@@H](CC[NH3+])Cc1ccccc1 147929517 582533234 /nfs/dbraw/zinc/53/32/34/582533234.db2.gz FMGLFTNJYVXGTB-JTQLQIEISA-N 1 3 164.252 0.905 10 0 ACAEHO N[C@H](CC[NH3+])Cc1ccccc1 147929303 582533280 /nfs/dbraw/zinc/53/32/80/582533280.db2.gz FMGLFTNJYVXGTB-SNVBAGLBSA-N 1 3 164.252 0.905 10 0 ACAEHO C[C@H](C[NH+](C)C)n1ccnc1N 235455104 582545423 /nfs/dbraw/zinc/54/54/23/582545423.db2.gz UGHCDYIMTKFZFX-SSDOTTSWSA-N 1 3 168.244 0.588 10 0 ACAEHO C[C@H](CN(C)C)n1cc[nH+]c1N 235455104 582545426 /nfs/dbraw/zinc/54/54/26/582545426.db2.gz UGHCDYIMTKFZFX-SSDOTTSWSA-N 1 3 168.244 0.588 10 0 ACAEHO C1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CCO1 902465883 582607389 /nfs/dbraw/zinc/60/73/89/582607389.db2.gz GOSAHNLSMUAEGL-VWYCJHECSA-N 1 3 196.294 0.648 10 0 ACAEHO COCCCN1CCC2(CC[NH2+]2)CC1 903460150 582624384 /nfs/dbraw/zinc/62/43/84/582624384.db2.gz YFWJATPZUSFEGK-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CC[NH2+][C@@H]1CCNC12CCC2 903465962 582625357 /nfs/dbraw/zinc/62/53/57/582625357.db2.gz NZJQYBKEDKAZSZ-MRVPVSSYSA-N 1 3 154.257 0.881 10 0 ACAEHO COCCC[NH2+][C@H]1CCNC12CCC2 903472037 582625661 /nfs/dbraw/zinc/62/56/61/582625661.db2.gz PTHYBAVNAIYMOV-JTQLQIEISA-N 1 3 198.310 0.897 10 0 ACAEHO CC[NH2+][C@H]1CCNC12CCC2 903465966 582625781 /nfs/dbraw/zinc/62/57/81/582625781.db2.gz NZJQYBKEDKAZSZ-QMMMGPOBSA-N 1 3 154.257 0.881 10 0 ACAEHO COCCC[NH2+][C@@H]1CCNC12CCC2 903472038 582625906 /nfs/dbraw/zinc/62/59/06/582625906.db2.gz PTHYBAVNAIYMOV-SNVBAGLBSA-N 1 3 198.310 0.897 10 0 ACAEHO C[C@@H]1CNC[C@H]1[NH2+]CC1CC1 903960707 582629464 /nfs/dbraw/zinc/62/94/64/582629464.db2.gz VTRVFNRLOIJXGD-VXNVDRBHSA-N 1 3 154.257 0.594 10 0 ACAEHO CC(C)C[NH2+][C@@H]1CNC[C@H]1C 903960600 582629780 /nfs/dbraw/zinc/62/97/80/582629780.db2.gz QQAYRUQDMZMNOP-RKDXNWHRSA-N 1 3 156.273 0.840 10 0 ACAEHO Nc1ccnc(CNCCC[NH3+])c1 903954784 582630061 /nfs/dbraw/zinc/63/00/61/582630061.db2.gz VNDBIGOHHBYZRE-UHFFFAOYSA-N 1 3 180.255 0.102 10 0 ACAEHO CC(C)([NH3+])CNCc1cc(N)ccn1 903951482 582630213 /nfs/dbraw/zinc/63/02/13/582630213.db2.gz YVWSVBVIRADYSR-UHFFFAOYSA-N 1 3 194.282 0.491 10 0 ACAEHO C[C@@H]1CNC[C@H]1[NH2+]C[C@@H]1C[C@H]1C 903964862 582630649 /nfs/dbraw/zinc/63/06/49/582630649.db2.gz XEVNBAJZHMZYBD-DOLQZWNJSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CNC[C@H]1C 903964865 582630762 /nfs/dbraw/zinc/63/07/62/582630762.db2.gz XEVNBAJZHMZYBD-SGIHWFKDSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CNC[C@H]1C 903964867 582631139 /nfs/dbraw/zinc/63/11/39/582631139.db2.gz XEVNBAJZHMZYBD-ZYUZMQFOSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@H]1C[C@H]1C[NH2+][C@@H]1CNC[C@H]1C 903964863 582631163 /nfs/dbraw/zinc/63/11/63/582631163.db2.gz XEVNBAJZHMZYBD-QCLAVDOMSA-N 1 3 168.284 0.840 10 0 ACAEHO CC1(CN2CCNCC[NH2+]CC2)CC1 904396952 582636861 /nfs/dbraw/zinc/63/68/61/582636861.db2.gz SSTOYPJBMKXNCQ-UHFFFAOYSA-N 1 3 197.326 0.281 10 0 ACAEHO CNCCC[NH2+]C[C@@H]1C[C@@H]1C 163325257 582676944 /nfs/dbraw/zinc/67/69/44/582676944.db2.gz GKGKXXSSIGFRAV-IUCAKERBSA-N 1 3 156.273 0.842 10 0 ACAEHO CNCCC[NH2+]C[C@H]1C[C@H]1C 163325015 582677015 /nfs/dbraw/zinc/67/70/15/582677015.db2.gz GKGKXXSSIGFRAV-RKDXNWHRSA-N 1 3 156.273 0.842 10 0 ACAEHO CNCCC[NH2+]C[C@@H]1C[C@H]1C 163325189 582677021 /nfs/dbraw/zinc/67/70/21/582677021.db2.gz GKGKXXSSIGFRAV-BDAKNGLRSA-N 1 3 156.273 0.842 10 0 ACAEHO CNCCC[NH2+]C[C@H]1C[C@@H]1C 163325096 582677350 /nfs/dbraw/zinc/67/73/50/582677350.db2.gz GKGKXXSSIGFRAV-DTWKUNHWSA-N 1 3 156.273 0.842 10 0 ACAEHO COCCN1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306181435 582689802 /nfs/dbraw/zinc/68/98/02/582689802.db2.gz UTROGLDYSNUHDB-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO COCCN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306181434 582690022 /nfs/dbraw/zinc/69/00/22/582690022.db2.gz UTROGLDYSNUHDB-AEJSXWLSSA-N 1 3 184.283 0.302 10 0 ACAEHO CCN1CC[C@@H]([NH3+])C12CCC2 606245357 582703974 /nfs/dbraw/zinc/70/39/74/582703974.db2.gz XEDKOVBTBZZQNI-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO CCN1CC[C@H]([NH3+])C12CCC2 606245358 582703992 /nfs/dbraw/zinc/70/39/92/582703992.db2.gz XEDKOVBTBZZQNI-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CC(C)[C@H]1C[NH2+]C[C@H]1CN 211372957 582715144 /nfs/dbraw/zinc/71/51/44/582715144.db2.gz PACYURUMNSHKFO-HTQZYQBOSA-N 1 3 142.246 0.437 10 0 ACAEHO CC(C)[C@@H]1C[NH2+]C[C@@H]1CN 211372766 582715276 /nfs/dbraw/zinc/71/52/76/582715276.db2.gz PACYURUMNSHKFO-YUMQZZPRSA-N 1 3 142.246 0.437 10 0 ACAEHO CC(C)[C@H]1C[NH2+]C[C@@H]1CN 211372856 582715315 /nfs/dbraw/zinc/71/53/15/582715315.db2.gz PACYURUMNSHKFO-JGVFFNPUSA-N 1 3 142.246 0.437 10 0 ACAEHO C1CCC2(CC1)[NH2+]CCC1(CNC1)O2 757150760 582944296 /nfs/dbraw/zinc/94/42/96/582944296.db2.gz SDAWWXKFEQDGTP-UHFFFAOYSA-N 1 3 196.294 0.999 10 0 ACAEHO [NH3+]C[C@H]1CCN1c1ccncc1 757153001 582944710 /nfs/dbraw/zinc/94/47/10/582944710.db2.gz SGCJKTXOSCRIHA-SECBINFHSA-N 1 3 163.224 0.619 10 0 ACAEHO [NH3+]C[C@H]1CNC[C@@H](c2cncnc2)C1 757215913 582953178 /nfs/dbraw/zinc/95/31/78/582953178.db2.gz OLQXUMWBUKQUBN-IUCAKERBSA-N 1 3 192.266 0.128 10 0 ACAEHO Nc1cccc([C@H]2CNC[C@H]([NH3+])C2)c1 757212283 582950953 /nfs/dbraw/zinc/95/09/53/582950953.db2.gz HSWWTILYBZKZOZ-MWLCHTKSSA-N 1 3 191.278 0.673 10 0 ACAEHO CC[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 757209491 582951051 /nfs/dbraw/zinc/95/10/51/582951051.db2.gz FNFNOKZYXFFKOD-PRJMDXOYSA-N 1 3 142.246 0.722 10 0 ACAEHO [NH3+][C@H]1CNCC[C@H]1C1CCOCC1 757208816 582951175 /nfs/dbraw/zinc/95/11/75/582951175.db2.gz DPAXZKTVVGVVEP-UWVGGRQHSA-N 1 3 184.283 0.350 10 0 ACAEHO N[C@@H]1CC[NH2+][C@H](C2CCOCC2)C1 757212215 582951202 /nfs/dbraw/zinc/95/12/02/582951202.db2.gz MQOHGGIFKFAEFV-ZJUUUORDSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+][C@@H]1CCN[C@H](C2CCOCC2)C1 757212215 582951207 /nfs/dbraw/zinc/95/12/07/582951207.db2.gz MQOHGGIFKFAEFV-ZJUUUORDSA-N 1 3 184.283 0.492 10 0 ACAEHO CC[C@@H]1C[C@H](C)[C@@H]([NH3+])CN1 757209492 582951365 /nfs/dbraw/zinc/95/13/65/582951365.db2.gz FNFNOKZYXFFKOD-RNJXMRFFSA-N 1 3 142.246 0.722 10 0 ACAEHO N[C@H]1CC[NH2+][C@H](C2CCOCC2)C1 757212213 582951318 /nfs/dbraw/zinc/95/13/18/582951318.db2.gz MQOHGGIFKFAEFV-UWVGGRQHSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+][C@H]1CCN[C@H](C2CCOCC2)C1 757212213 582951321 /nfs/dbraw/zinc/95/13/21/582951321.db2.gz MQOHGGIFKFAEFV-UWVGGRQHSA-N 1 3 184.283 0.492 10 0 ACAEHO N[C@H]1CC[NH2+][C@@H](C2CCOCC2)C1 757212214 582951325 /nfs/dbraw/zinc/95/13/25/582951325.db2.gz MQOHGGIFKFAEFV-VHSXEESVSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+][C@H]1CCN[C@@H](C2CCOCC2)C1 757212214 582951328 /nfs/dbraw/zinc/95/13/28/582951328.db2.gz MQOHGGIFKFAEFV-VHSXEESVSA-N 1 3 184.283 0.492 10 0 ACAEHO Nc1cccc([C@H]2CNCC[C@@H]2[NH3+])c1 757212537 582951356 /nfs/dbraw/zinc/95/13/56/582951356.db2.gz ITRJZWCGEHFDFR-MNOVXSKESA-N 1 3 191.278 0.673 10 0 ACAEHO [NH3+][C@H]1CNCC[C@@H]1C1CCOCC1 757208819 582951386 /nfs/dbraw/zinc/95/13/86/582951386.db2.gz DPAXZKTVVGVVEP-ZJUUUORDSA-N 1 3 184.283 0.350 10 0 ACAEHO Nc1cccc([C@H]2CNCC[C@H]2[NH3+])c1 757212533 582951429 /nfs/dbraw/zinc/95/14/29/582951429.db2.gz ITRJZWCGEHFDFR-GHMZBOCLSA-N 1 3 191.278 0.673 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@@H]1C1CCOCC1 757208813 582951458 /nfs/dbraw/zinc/95/14/58/582951458.db2.gz DPAXZKTVVGVVEP-NXEZZACHSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@H]1C1CCOCC1 757208817 582951488 /nfs/dbraw/zinc/95/14/88/582951488.db2.gz DPAXZKTVVGVVEP-VHSXEESVSA-N 1 3 184.283 0.350 10 0 ACAEHO NC[C@H]1CCC[NH2+][C@@H]1C1CCOCC1 757213773 582951620 /nfs/dbraw/zinc/95/16/20/582951620.db2.gz QZBCEMZJDYUICK-GHMZBOCLSA-N 1 3 198.310 0.740 10 0 ACAEHO [NH3+][C@@H]1CCNC[C@H]1C1CCOCC1 757213906 582951630 /nfs/dbraw/zinc/95/16/30/582951630.db2.gz RUJTVDDTBXDYBN-VHSXEESVSA-N 1 3 184.283 0.350 10 0 ACAEHO N[C@@H]1CC[NH2+]C[C@H]1C1CCOCC1 757213906 582951632 /nfs/dbraw/zinc/95/16/32/582951632.db2.gz RUJTVDDTBXDYBN-VHSXEESVSA-N 1 3 184.283 0.350 10 0 ACAEHO NC[C@@H]1CCC[NH2+][C@H]1C1CCOCC1 757213778 582951668 /nfs/dbraw/zinc/95/16/68/582951668.db2.gz QZBCEMZJDYUICK-QWRGUYRKSA-N 1 3 198.310 0.740 10 0 ACAEHO CC[C@@H]1NCC[C@H](C)[C@H]1[NH3+] 757215248 582951820 /nfs/dbraw/zinc/95/18/20/582951820.db2.gz NKYMVQDWZQCOMU-BIIVOSGPSA-N 1 3 142.246 0.722 10 0 ACAEHO CC[C@@H]1CC[C@H]([NH3+])[C@H](C)N1 757212834 582951887 /nfs/dbraw/zinc/95/18/87/582951887.db2.gz JVYBVUDLLOQXKJ-RNJXMRFFSA-N 1 3 142.246 0.864 10 0 ACAEHO CC[C@@H]1CC[C@H]([NH3+])[C@@H](C)N1 757212829 582952010 /nfs/dbraw/zinc/95/20/10/582952010.db2.gz JVYBVUDLLOQXKJ-PRJMDXOYSA-N 1 3 142.246 0.864 10 0 ACAEHO [NH3+][C@@H]1CCNC[C@@H]1C1CCOCC1 757213902 582952022 /nfs/dbraw/zinc/95/20/22/582952022.db2.gz RUJTVDDTBXDYBN-NXEZZACHSA-N 1 3 184.283 0.350 10 0 ACAEHO N[C@@H]1CC[NH2+]C[C@@H]1C1CCOCC1 757213902 582952025 /nfs/dbraw/zinc/95/20/25/582952025.db2.gz RUJTVDDTBXDYBN-NXEZZACHSA-N 1 3 184.283 0.350 10 0 ACAEHO Nc1cccc([C@@H]2CNCC[C@H]2[NH3+])c1 757212550 582952104 /nfs/dbraw/zinc/95/21/04/582952104.db2.gz ITRJZWCGEHFDFR-WDEREUQCSA-N 1 3 191.278 0.673 10 0 ACAEHO NC[C@H]1CCC[NH2+][C@H]1C1CCOCC1 757213776 582952135 /nfs/dbraw/zinc/95/21/35/582952135.db2.gz QZBCEMZJDYUICK-MNOVXSKESA-N 1 3 198.310 0.740 10 0 ACAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](C)N1 757212828 582952173 /nfs/dbraw/zinc/95/21/73/582952173.db2.gz JVYBVUDLLOQXKJ-BWZBUEFSSA-N 1 3 142.246 0.864 10 0 ACAEHO NC[C@@H]1CCC[NH2+][C@@H]1C1CCOCC1 757213783 582952202 /nfs/dbraw/zinc/95/22/02/582952202.db2.gz QZBCEMZJDYUICK-WDEREUQCSA-N 1 3 198.310 0.740 10 0 ACAEHO CC[C@@H]1CC[C@@H]([NH3+])[C@H](C)N1 757212836 582952296 /nfs/dbraw/zinc/95/22/96/582952296.db2.gz JVYBVUDLLOQXKJ-XLPZGREQSA-N 1 3 142.246 0.864 10 0 ACAEHO [NH3+][C@H]1CCNC[C@H]1C1CCOCC1 757213904 582952382 /nfs/dbraw/zinc/95/23/82/582952382.db2.gz RUJTVDDTBXDYBN-UWVGGRQHSA-N 1 3 184.283 0.350 10 0 ACAEHO N[C@H]1CC[NH2+]C[C@H]1C1CCOCC1 757213904 582952385 /nfs/dbraw/zinc/95/23/85/582952385.db2.gz RUJTVDDTBXDYBN-UWVGGRQHSA-N 1 3 184.283 0.350 10 0 ACAEHO Nc1cccc([C@@H]2CNCC[C@@H]2[NH3+])c1 757212545 582952420 /nfs/dbraw/zinc/95/24/20/582952420.db2.gz ITRJZWCGEHFDFR-QWRGUYRKSA-N 1 3 191.278 0.673 10 0 ACAEHO [NH3+][C@H]1CCNC[C@@H]1C1CCOCC1 757213908 582952451 /nfs/dbraw/zinc/95/24/51/582952451.db2.gz RUJTVDDTBXDYBN-ZJUUUORDSA-N 1 3 184.283 0.350 10 0 ACAEHO N[C@H]1CC[NH2+]C[C@@H]1C1CCOCC1 757213908 582952452 /nfs/dbraw/zinc/95/24/52/582952452.db2.gz RUJTVDDTBXDYBN-ZJUUUORDSA-N 1 3 184.283 0.350 10 0 ACAEHO CC[C@@H]1NCC[C@@H](C)[C@H]1[NH3+] 757215259 582952742 /nfs/dbraw/zinc/95/27/42/582952742.db2.gz NKYMVQDWZQCOMU-GJMOJQLCSA-N 1 3 142.246 0.722 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@H](CN)C1 757215842 582952773 /nfs/dbraw/zinc/95/27/73/582952773.db2.gz OEIMFLWDHQJYDI-YUMQZZPRSA-N 1 3 142.246 0.581 10 0 ACAEHO C[C@H]1C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CN 757216057 582952894 /nfs/dbraw/zinc/95/28/94/582952894.db2.gz OVDXUGRFSFMOOT-UYXSQOIJSA-N 1 3 156.273 0.968 10 0 ACAEHO [NH3+]C[C@@H]1CNC[C@H](c2cncnc2)C1 757215915 582952929 /nfs/dbraw/zinc/95/29/29/582952929.db2.gz OLQXUMWBUKQUBN-RKDXNWHRSA-N 1 3 192.266 0.128 10 0 ACAEHO NC[C@@H]1C[NH2+]C[C@H](c2cncnc2)C1 757215915 582952930 /nfs/dbraw/zinc/95/29/30/582952930.db2.gz OLQXUMWBUKQUBN-RKDXNWHRSA-N 1 3 192.266 0.128 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@@H](CN)C1 757215837 582952935 /nfs/dbraw/zinc/95/29/35/582952935.db2.gz OEIMFLWDHQJYDI-JGVFFNPUSA-N 1 3 142.246 0.581 10 0 ACAEHO [NH3+]C[C@@H]1CNC[C@@H](c2cncnc2)C1 757215909 582952940 /nfs/dbraw/zinc/95/29/40/582952940.db2.gz OLQXUMWBUKQUBN-BDAKNGLRSA-N 1 3 192.266 0.128 10 0 ACAEHO NC[C@@H]1C[NH2+]C[C@@H](c2cncnc2)C1 757215909 582952941 /nfs/dbraw/zinc/95/29/41/582952941.db2.gz OLQXUMWBUKQUBN-BDAKNGLRSA-N 1 3 192.266 0.128 10 0 ACAEHO C[C@H]1C[C@@H](C)[NH2+][C@@H](C)[C@H]1CN 757216050 582952960 /nfs/dbraw/zinc/95/29/60/582952960.db2.gz OVDXUGRFSFMOOT-KZVJFYERSA-N 1 3 156.273 0.968 10 0 ACAEHO NC[C@H]1C[NH2+]C[C@@H](c2cncnc2)C1 757215913 582953179 /nfs/dbraw/zinc/95/31/79/582953179.db2.gz OLQXUMWBUKQUBN-IUCAKERBSA-N 1 3 192.266 0.128 10 0 ACAEHO C[C@H]1C[C@@H](C)[NH2+][C@H](C)[C@@H]1CN 757216048 582953033 /nfs/dbraw/zinc/95/30/33/582953033.db2.gz OVDXUGRFSFMOOT-JQCXWYLXSA-N 1 3 156.273 0.968 10 0 ACAEHO C[C@H]1C[C@@H](C)NC[C@H]1[NH3+] 757216009 582953244 /nfs/dbraw/zinc/95/32/44/582953244.db2.gz OGIBHSYTWRHZNR-RRKCRQDMSA-N 1 3 128.219 0.332 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@@H](CN)C1 757215834 582953268 /nfs/dbraw/zinc/95/32/68/582953268.db2.gz OEIMFLWDHQJYDI-HTQZYQBOSA-N 1 3 142.246 0.581 10 0 ACAEHO CC[C@@H]1CNC[C@@H]([NH3+])C1 757219429 582953308 /nfs/dbraw/zinc/95/33/08/582953308.db2.gz XAPRYTSOPXAHTL-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@H]1C[NH2+]C[C@H](CN)C1 757215840 582953315 /nfs/dbraw/zinc/95/33/15/582953315.db2.gz OEIMFLWDHQJYDI-SFYZADRCSA-N 1 3 142.246 0.581 10 0 ACAEHO CC[C@@H]1NCC[C@@H](C)[C@@H]1[NH3+] 757215254 582953346 /nfs/dbraw/zinc/95/33/46/582953346.db2.gz NKYMVQDWZQCOMU-CSMHCCOUSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]1C[C@@H](C)[NH2+][C@H](C)[C@H]1CN 757216049 582953382 /nfs/dbraw/zinc/95/33/82/582953382.db2.gz OVDXUGRFSFMOOT-KDXUFGMBSA-N 1 3 156.273 0.968 10 0 ACAEHO C[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 757215999 582953456 /nfs/dbraw/zinc/95/34/56/582953456.db2.gz OGIBHSYTWRHZNR-QYNIQEEDSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1C[C@@H](C)[C@H]([NH3+])CN1 757215996 582953467 /nfs/dbraw/zinc/95/34/67/582953467.db2.gz OGIBHSYTWRHZNR-FSDSQADBSA-N 1 3 128.219 0.332 10 0 ACAEHO [NH3+]C[C@H]1CNC[C@H](c2cncnc2)C1 757215911 582953557 /nfs/dbraw/zinc/95/35/57/582953557.db2.gz OLQXUMWBUKQUBN-DTWKUNHWSA-N 1 3 192.266 0.128 10 0 ACAEHO NC[C@H]1C[NH2+]C[C@H](c2cncnc2)C1 757215911 582953558 /nfs/dbraw/zinc/95/35/58/582953558.db2.gz OLQXUMWBUKQUBN-DTWKUNHWSA-N 1 3 192.266 0.128 10 0 ACAEHO CC[C@@H]1NCC[C@H](C)[C@@H]1[NH3+] 757215257 582953561 /nfs/dbraw/zinc/95/35/61/582953561.db2.gz NKYMVQDWZQCOMU-FXQIFTODSA-N 1 3 142.246 0.722 10 0 ACAEHO CC[C@@H]1N[C@H](C)CC[C@H]1[NH3+] 757219295 582954084 /nfs/dbraw/zinc/95/40/84/582954084.db2.gz WQQMAVGOSJKZQV-PRJMDXOYSA-N 1 3 142.246 0.864 10 0 ACAEHO CC[C@@H]1N[C@@H](C)CC[C@H]1[NH3+] 757219296 582954096 /nfs/dbraw/zinc/95/40/96/582954096.db2.gz WQQMAVGOSJKZQV-RNJXMRFFSA-N 1 3 142.246 0.864 10 0 ACAEHO CC[C@@H]1N[C@@H](C)CC[C@@H]1[NH3+] 757219293 582954128 /nfs/dbraw/zinc/95/41/28/582954128.db2.gz WQQMAVGOSJKZQV-FXQIFTODSA-N 1 3 142.246 0.864 10 0 ACAEHO CC[C@@H]1N[C@H](C)CC[C@@H]1[NH3+] 757219292 582954352 /nfs/dbraw/zinc/95/43/52/582954352.db2.gz WQQMAVGOSJKZQV-CSMHCCOUSA-N 1 3 142.246 0.864 10 0 ACAEHO CCn1cc([C@H]2CNCC[C@@H]2[NH3+])cn1 757238429 582955042 /nfs/dbraw/zinc/95/50/42/582955042.db2.gz RZHVABOXOQQEOQ-ZJUUUORDSA-N 1 3 194.282 0.307 10 0 ACAEHO CCn1cc([C@H]2C[NH2+]CC[C@@H]2N)cn1 757238429 582955045 /nfs/dbraw/zinc/95/50/45/582955045.db2.gz RZHVABOXOQQEOQ-ZJUUUORDSA-N 1 3 194.282 0.307 10 0 ACAEHO Cn1cc([C@H]2CNC[C@H](C[NH3+])C2)cn1 757230978 582955108 /nfs/dbraw/zinc/95/51/08/582955108.db2.gz GGCADCUCVJADOT-DTWKUNHWSA-N 1 3 194.282 0.072 10 0 ACAEHO Cn1cc([C@H]2C[NH2+]C[C@H](CN)C2)cn1 757230978 582955111 /nfs/dbraw/zinc/95/51/11/582955111.db2.gz GGCADCUCVJADOT-DTWKUNHWSA-N 1 3 194.282 0.072 10 0 ACAEHO Cn1cc([C@H]2C[C@H](C[NH3+])CCN2)cn1 757237025 582955276 /nfs/dbraw/zinc/95/52/76/582955276.db2.gz PFRQMKXORAPUIP-PSASIEDQSA-N 1 3 194.282 0.420 10 0 ACAEHO Cn1cc([C@H]2CNC[C@@H](C[NH3+])C2)cn1 757230982 582955309 /nfs/dbraw/zinc/95/53/09/582955309.db2.gz GGCADCUCVJADOT-RKDXNWHRSA-N 1 3 194.282 0.072 10 0 ACAEHO Cn1cc([C@H]2C[NH2+]C[C@@H](CN)C2)cn1 757230982 582955312 /nfs/dbraw/zinc/95/53/12/582955312.db2.gz GGCADCUCVJADOT-RKDXNWHRSA-N 1 3 194.282 0.072 10 0 ACAEHO CCn1cc([C@@H]2CNCC[C@@H]2[NH3+])cn1 757238422 582955409 /nfs/dbraw/zinc/95/54/09/582955409.db2.gz RZHVABOXOQQEOQ-UWVGGRQHSA-N 1 3 194.282 0.307 10 0 ACAEHO CCn1cc([C@@H]2C[NH2+]CC[C@@H]2N)cn1 757238422 582955411 /nfs/dbraw/zinc/95/54/11/582955411.db2.gz RZHVABOXOQQEOQ-UWVGGRQHSA-N 1 3 194.282 0.307 10 0 ACAEHO Cn1cc([C@H]2C[C@@H](C[NH3+])CCN2)cn1 757237032 582955448 /nfs/dbraw/zinc/95/54/48/582955448.db2.gz PFRQMKXORAPUIP-WCBMZHEXSA-N 1 3 194.282 0.420 10 0 ACAEHO Cn1cc([C@@H]2C[C@@H](C[NH3+])CCN2)cn1 757237036 582955478 /nfs/dbraw/zinc/95/54/78/582955478.db2.gz PFRQMKXORAPUIP-WPRPVWTQSA-N 1 3 194.282 0.420 10 0 ACAEHO Cn1cc([C@@H]2CNC[C@H](C[NH3+])C2)cn1 757230980 582955507 /nfs/dbraw/zinc/95/55/07/582955507.db2.gz GGCADCUCVJADOT-IUCAKERBSA-N 1 3 194.282 0.072 10 0 ACAEHO Cn1cc([C@@H]2C[NH2+]C[C@H](CN)C2)cn1 757230980 582955510 /nfs/dbraw/zinc/95/55/10/582955510.db2.gz GGCADCUCVJADOT-IUCAKERBSA-N 1 3 194.282 0.072 10 0 ACAEHO CC[C@H]1CC[C@@H]([NH3+])CN1 757220268 582955524 /nfs/dbraw/zinc/95/55/24/582955524.db2.gz XXAJGLYGSDMXOS-RQJHMYQMSA-N 1 3 128.219 0.476 10 0 ACAEHO CCn1cc([C@H]2CNCC[C@H]2[NH3+])cn1 757238387 582955617 /nfs/dbraw/zinc/95/56/17/582955617.db2.gz RZHVABOXOQQEOQ-NXEZZACHSA-N 1 3 194.282 0.307 10 0 ACAEHO CCn1cc([C@H]2C[NH2+]CC[C@H]2N)cn1 757238387 582955619 /nfs/dbraw/zinc/95/56/19/582955619.db2.gz RZHVABOXOQQEOQ-NXEZZACHSA-N 1 3 194.282 0.307 10 0 ACAEHO CC[C@@H]1CC[C@H]([NH3+])CN1 757220263 582955631 /nfs/dbraw/zinc/95/56/31/582955631.db2.gz XXAJGLYGSDMXOS-NKWVEPMBSA-N 1 3 128.219 0.476 10 0 ACAEHO Cn1cc([C@@H]2C[C@H](C[NH3+])CCN2)cn1 757237029 582955676 /nfs/dbraw/zinc/95/56/76/582955676.db2.gz PFRQMKXORAPUIP-SCZZXKLOSA-N 1 3 194.282 0.420 10 0 ACAEHO Cn1cc([C@@H]2CNC[C@@H](C[NH3+])C2)cn1 757230976 582955695 /nfs/dbraw/zinc/95/56/95/582955695.db2.gz GGCADCUCVJADOT-BDAKNGLRSA-N 1 3 194.282 0.072 10 0 ACAEHO Cn1cc([C@@H]2C[NH2+]C[C@@H](CN)C2)cn1 757230976 582955696 /nfs/dbraw/zinc/95/56/96/582955696.db2.gz GGCADCUCVJADOT-BDAKNGLRSA-N 1 3 194.282 0.072 10 0 ACAEHO CC[C@H]1CC[C@H]([NH3+])CN1 757220262 582955838 /nfs/dbraw/zinc/95/58/38/582955838.db2.gz XXAJGLYGSDMXOS-BQBZGAKWSA-N 1 3 128.219 0.476 10 0 ACAEHO CCn1cc([C@@H]2CNCC[C@H]2[NH3+])cn1 757238426 582955851 /nfs/dbraw/zinc/95/58/51/582955851.db2.gz RZHVABOXOQQEOQ-VHSXEESVSA-N 1 3 194.282 0.307 10 0 ACAEHO CCn1cc([C@@H]2C[NH2+]CC[C@H]2N)cn1 757238426 582955855 /nfs/dbraw/zinc/95/58/55/582955855.db2.gz RZHVABOXOQQEOQ-VHSXEESVSA-N 1 3 194.282 0.307 10 0 ACAEHO CC[C@@H]1CC[C@@H]([NH3+])CN1 757220266 582955874 /nfs/dbraw/zinc/95/58/74/582955874.db2.gz XXAJGLYGSDMXOS-RNFRBKRXSA-N 1 3 128.219 0.476 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCN(C)C1 817888158 582998733 /nfs/dbraw/zinc/99/87/33/582998733.db2.gz CEAYJSUXYYQNEQ-GMTAPVOTSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCN(C)C1 817888158 582998736 /nfs/dbraw/zinc/99/87/36/582998736.db2.gz CEAYJSUXYYQNEQ-GMTAPVOTSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCN(C)C1 817888261 582998850 /nfs/dbraw/zinc/99/88/50/582998850.db2.gz CEAYJSUXYYQNEQ-VWYCJHECSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(C)C1 817888261 582998851 /nfs/dbraw/zinc/99/88/51/582998851.db2.gz CEAYJSUXYYQNEQ-VWYCJHECSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCN(C)C1 817888160 582999237 /nfs/dbraw/zinc/99/92/37/582999237.db2.gz CEAYJSUXYYQNEQ-OUAUKWLOSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCN(C)C1 817888160 582999238 /nfs/dbraw/zinc/99/92/38/582999238.db2.gz CEAYJSUXYYQNEQ-OUAUKWLOSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCN(C)C1 817888159 582999306 /nfs/dbraw/zinc/99/93/06/582999306.db2.gz CEAYJSUXYYQNEQ-MXWKQRLJSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(C)C1 817888159 582999308 /nfs/dbraw/zinc/99/93/08/582999308.db2.gz CEAYJSUXYYQNEQ-MXWKQRLJSA-N 1 3 197.326 0.278 10 0 ACAEHO CC1(C)CCCN1CCNC(N)=[NH2+] 849039024 583178233 /nfs/dbraw/zinc/17/82/33/583178233.db2.gz DFDCVAAJUAXRPR-UHFFFAOYSA-N 1 3 184.287 0.344 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCCOC1 863486698 583311008 /nfs/dbraw/zinc/31/10/08/583311008.db2.gz CRADKSAALSEYPE-HBNTYKKESA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCCOC1 863486697 583311325 /nfs/dbraw/zinc/31/13/25/583311325.db2.gz CRADKSAALSEYPE-GARJFASQSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1C[C@H]1NC(=[NH2+])NCCCN(C)C 864450945 583317386 /nfs/dbraw/zinc/31/73/86/583317386.db2.gz BUZSMDPIMBWNOU-RKDXNWHRSA-N 1 3 198.314 0.460 10 0 ACAEHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCN(C)C 864450940 583317752 /nfs/dbraw/zinc/31/77/52/583317752.db2.gz BUZSMDPIMBWNOU-BDAKNGLRSA-N 1 3 198.314 0.460 10 0 ACAEHO C[C@H]1C[C@@H]1NC(=[NH2+])NCCCN(C)C 864450943 583317788 /nfs/dbraw/zinc/31/77/88/583317788.db2.gz BUZSMDPIMBWNOU-IUCAKERBSA-N 1 3 198.314 0.460 10 0 ACAEHO C[C@H]1C[C@H]1NC(=[NH2+])NCCCN(C)C 864450941 583317824 /nfs/dbraw/zinc/31/78/24/583317824.db2.gz BUZSMDPIMBWNOU-DTWKUNHWSA-N 1 3 198.314 0.460 10 0 ACAEHO CC1(C)C[C@H](O)CN(CCC[NH3+])C1 866702658 583332350 /nfs/dbraw/zinc/33/23/50/583332350.db2.gz DPMKKNUEHUATPH-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC1(C)C[C@@H](O)CN(CCC[NH3+])C1 866702643 583332871 /nfs/dbraw/zinc/33/28/71/583332871.db2.gz DPMKKNUEHUATPH-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO COCC1(N(C)CCC[NH3+])CCC1 872157651 583359977 /nfs/dbraw/zinc/35/99/77/583359977.db2.gz PGXUMLZIDGINQS-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO CC[C@H]1[NH2+]CCC[C@@H]1CN 212973853 583456842 /nfs/dbraw/zinc/45/68/42/583456842.db2.gz YJINXYRYPQWDOX-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H]1CC[C@H](CN)C[NH2+]1 212974439 583457081 /nfs/dbraw/zinc/45/70/81/583457081.db2.gz KTESFKZEFYMIQG-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H]1CC[C@H](CN)C[NH2+]1 212974509 583457150 /nfs/dbraw/zinc/45/71/50/583457150.db2.gz KTESFKZEFYMIQG-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@@H]1CC[C@@H](CN)C[NH2+]1 212974570 583457316 /nfs/dbraw/zinc/45/73/16/583457316.db2.gz KTESFKZEFYMIQG-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H]1CC[C@@H](CN)C[NH2+]1 212974633 583457522 /nfs/dbraw/zinc/45/75/22/583457522.db2.gz KTESFKZEFYMIQG-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1CCCCN1CCNC(N)=[NH2+] 2019320 583490475 /nfs/dbraw/zinc/49/04/75/583490475.db2.gz HQUWUDMYZBLEHR-MRVPVSSYSA-N 1 3 184.287 0.344 10 0 ACAEHO C[C@H]1CCCCN1CCNC(N)=[NH2+] 2019319 583490725 /nfs/dbraw/zinc/49/07/25/583490725.db2.gz HQUWUDMYZBLEHR-QMMMGPOBSA-N 1 3 184.287 0.344 10 0 ACAEHO C[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1[NH3+] 300050003 583509440 /nfs/dbraw/zinc/50/94/40/583509440.db2.gz WIQCNXZKTLVSQW-MXWKQRLJSA-N 1 3 198.310 0.692 10 0 ACAEHO CC(C)C[NH2+]CC[C@H](C)N 40408690 490014727 /nfs/dbraw/zinc/01/47/27/490014727.db2.gz ODYCFQJPCVLEFV-QMMMGPOBSA-N 1 3 144.262 0.969 10 0 ACAEHO CC(C)C[NH2+]CC[C@@H](C)N 40408686 490014740 /nfs/dbraw/zinc/01/47/40/490014740.db2.gz ODYCFQJPCVLEFV-MRVPVSSYSA-N 1 3 144.262 0.969 10 0 ACAEHO C[NH+](C)CCCN[C@H]1CCOC1 70964103 490018777 /nfs/dbraw/zinc/01/87/77/490018777.db2.gz FARMOWXABAJINL-VIFPVBQESA-N 1 3 172.272 0.317 10 0 ACAEHO CCN1CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 70967440 490018855 /nfs/dbraw/zinc/01/88/55/490018855.db2.gz BQKKAKNCFDYNRH-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCOC2)C1 70967440 490018857 /nfs/dbraw/zinc/01/88/57/490018857.db2.gz BQKKAKNCFDYNRH-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCOC2)C1 70967440 490018862 /nfs/dbraw/zinc/01/88/62/490018862.db2.gz BQKKAKNCFDYNRH-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC2)C1 70967436 490018984 /nfs/dbraw/zinc/01/89/84/490018984.db2.gz BQKKAKNCFDYNRH-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCOC2)C1 70967436 490018987 /nfs/dbraw/zinc/01/89/87/490018987.db2.gz BQKKAKNCFDYNRH-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@H+]1CC[C@H](CN[C@@H]2CCOC2)C1 70967436 490018989 /nfs/dbraw/zinc/01/89/89/490018989.db2.gz BQKKAKNCFDYNRH-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH+](C)CCCN[C@@H]1CCOC1 70964099 490019066 /nfs/dbraw/zinc/01/90/66/490019066.db2.gz FARMOWXABAJINL-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CNCCC[NH2+]C1CC(C)C1 123556227 490028733 /nfs/dbraw/zinc/02/87/33/490028733.db2.gz GRNILDCFTVYEFV-UHFFFAOYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+]CCCNC1CC(C)C1 123556227 490028735 /nfs/dbraw/zinc/02/87/35/490028735.db2.gz GRNILDCFTVYEFV-UHFFFAOYSA-N 1 3 156.273 0.984 10 0 ACAEHO CO[C@@H]1CN(CCC[NH3+])CC[C@@H]1C 230229561 490084152 /nfs/dbraw/zinc/08/41/52/490084152.db2.gz TZBKXXRHDADXEB-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H]1CN(CCC[NH3+])CC[C@@H]1C 230229564 490084548 /nfs/dbraw/zinc/08/45/48/490084548.db2.gz TZBKXXRHDADXEB-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]([NH3+])CCNC(=O)C1(N)CCCC1 380152354 490141223 /nfs/dbraw/zinc/14/12/23/490141223.db2.gz AWSMECHTPQYWHY-MRVPVSSYSA-N 1 3 199.298 0.111 10 0 ACAEHO C[C@H]1CCC[C@H](C)N1CCNC(N)=[NH2+] 3652734 491020929 /nfs/dbraw/zinc/02/09/29/491020929.db2.gz QGLNJLLUIYNAEO-IUCAKERBSA-N 1 3 198.314 0.732 10 0 ACAEHO C[C@H]1CCC[C@@H](C)N1CCNC(N)=[NH2+] 3652732 491020934 /nfs/dbraw/zinc/02/09/34/491020934.db2.gz QGLNJLLUIYNAEO-DTORHVGOSA-N 1 3 198.314 0.732 10 0 ACAEHO C[C@@H]1CCC[C@@H](C)N1CCNC(N)=[NH2+] 3652733 491020939 /nfs/dbraw/zinc/02/09/39/491020939.db2.gz QGLNJLLUIYNAEO-RKDXNWHRSA-N 1 3 198.314 0.732 10 0 ACAEHO COCC[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 85282102 491027516 /nfs/dbraw/zinc/02/75/16/491027516.db2.gz DHLSRUYHCLXTQM-HBNTYKKESA-N 1 3 198.310 0.563 10 0 ACAEHO CC[C@H](C)N1C[C@H]2C[NH2+]C[C@@H]2C1 85282001 491027614 /nfs/dbraw/zinc/02/76/14/491027614.db2.gz UVKONFGUXGYPFV-IVZWLZJFSA-N 1 3 168.284 0.936 10 0 ACAEHO C[NH2+]CCCN(C)C[C@H](C)COC 163550260 491040046 /nfs/dbraw/zinc/04/00/46/491040046.db2.gz USJLTSYOUWNWBF-JTQLQIEISA-N 1 3 188.315 0.810 10 0 ACAEHO CNCCC[N@H+](C)C[C@H](C)COC 163550260 491040047 /nfs/dbraw/zinc/04/00/47/491040047.db2.gz USJLTSYOUWNWBF-JTQLQIEISA-N 1 3 188.315 0.810 10 0 ACAEHO CNCCC[N@@H+](C)C[C@H](C)COC 163550260 491040048 /nfs/dbraw/zinc/04/00/48/491040048.db2.gz USJLTSYOUWNWBF-JTQLQIEISA-N 1 3 188.315 0.810 10 0 ACAEHO COC[C@@H](C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 163546737 491040054 /nfs/dbraw/zinc/04/00/54/491040054.db2.gz CYETUHBVYPTYRK-GARJFASQSA-N 1 3 198.310 0.420 10 0 ACAEHO COC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@@H]2C1 163546813 491040060 /nfs/dbraw/zinc/04/00/60/491040060.db2.gz CYETUHBVYPTYRK-MXWKQRLJSA-N 1 3 198.310 0.420 10 0 ACAEHO C[NH2+]CCCN(C)C[C@@H](C)COC 163550376 491040063 /nfs/dbraw/zinc/04/00/63/491040063.db2.gz USJLTSYOUWNWBF-SNVBAGLBSA-N 1 3 188.315 0.810 10 0 ACAEHO CNCCC[N@H+](C)C[C@@H](C)COC 163550376 491040064 /nfs/dbraw/zinc/04/00/64/491040064.db2.gz USJLTSYOUWNWBF-SNVBAGLBSA-N 1 3 188.315 0.810 10 0 ACAEHO CNCCC[N@@H+](C)C[C@@H](C)COC 163550376 491040065 /nfs/dbraw/zinc/04/00/65/491040065.db2.gz USJLTSYOUWNWBF-SNVBAGLBSA-N 1 3 188.315 0.810 10 0 ACAEHO COC[C@H](C)CN1CCC[C@@H]1C[NH3+] 163552028 491040070 /nfs/dbraw/zinc/04/00/70/491040070.db2.gz FDYRNZHUWHEMFK-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@@H](C)C[N@H+](C)CCCN 163553129 491040079 /nfs/dbraw/zinc/04/00/79/491040079.db2.gz FKRADQAQIYYNPM-VIFPVBQESA-N 1 3 174.288 0.550 10 0 ACAEHO COC[C@@H](C)C[N@@H+](C)CCCN 163553129 491040080 /nfs/dbraw/zinc/04/00/80/491040080.db2.gz FKRADQAQIYYNPM-VIFPVBQESA-N 1 3 174.288 0.550 10 0 ACAEHO COC[C@@H](C)CN(C)CCC[NH3+] 163553129 491040081 /nfs/dbraw/zinc/04/00/81/491040081.db2.gz FKRADQAQIYYNPM-VIFPVBQESA-N 1 3 174.288 0.550 10 0 ACAEHO COC[C@H](C)C[N@H+](C)CCCN 163553241 491040084 /nfs/dbraw/zinc/04/00/84/491040084.db2.gz FKRADQAQIYYNPM-SECBINFHSA-N 1 3 174.288 0.550 10 0 ACAEHO COC[C@H](C)C[N@@H+](C)CCCN 163553241 491040085 /nfs/dbraw/zinc/04/00/85/491040085.db2.gz FKRADQAQIYYNPM-SECBINFHSA-N 1 3 174.288 0.550 10 0 ACAEHO COC[C@H](C)CN(C)CCC[NH3+] 163553241 491040086 /nfs/dbraw/zinc/04/00/86/491040086.db2.gz FKRADQAQIYYNPM-SECBINFHSA-N 1 3 174.288 0.550 10 0 ACAEHO COC[C@@H](C)CN1CCC[C@@H]1C[NH3+] 163551918 491040094 /nfs/dbraw/zinc/04/00/94/491040094.db2.gz FDYRNZHUWHEMFK-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO OC1(CN2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 306416491 491050396 /nfs/dbraw/zinc/05/03/96/491050396.db2.gz WPIPYIPXQLXSNU-AOOOYVTPSA-N 1 3 196.294 0.053 10 0 ACAEHO OC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 306416493 491050417 /nfs/dbraw/zinc/05/04/17/491050417.db2.gz WPIPYIPXQLXSNU-UWVGGRQHSA-N 1 3 196.294 0.053 10 0 ACAEHO OC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 306416492 491050462 /nfs/dbraw/zinc/05/04/62/491050462.db2.gz WPIPYIPXQLXSNU-NXEZZACHSA-N 1 3 196.294 0.053 10 0 ACAEHO CN1CC[C@H]([NH2+]CCO)[C@@H]2CCC[C@@H]21 306421413 491050540 /nfs/dbraw/zinc/05/05/40/491050540.db2.gz HBRHGGCJHFZZCV-DCAQKATOSA-N 1 3 198.310 0.441 10 0 ACAEHO CN1CC[C@H]([NH2+]CCO)[C@H]2CCC[C@@H]21 306421416 491050565 /nfs/dbraw/zinc/05/05/65/491050565.db2.gz HBRHGGCJHFZZCV-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO CN1CC[C@H]([NH2+]CCO)[C@@H]2CCC[C@H]21 306421414 491050705 /nfs/dbraw/zinc/05/07/05/491050705.db2.gz HBRHGGCJHFZZCV-GARJFASQSA-N 1 3 198.310 0.441 10 0 ACAEHO CN1CC[C@H]([NH2+]CCO)[C@H]2CCC[C@H]21 306421415 491050733 /nfs/dbraw/zinc/05/07/33/491050733.db2.gz HBRHGGCJHFZZCV-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](O)CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 308590620 491113224 /nfs/dbraw/zinc/11/32/24/491113224.db2.gz VDTLEEVDTQOLCX-HBNTYKKESA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@@H](O)CCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 308590621 491113243 /nfs/dbraw/zinc/11/32/43/491113243.db2.gz VDTLEEVDTQOLCX-MXWKQRLJSA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@H](O)CCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 308590618 491113306 /nfs/dbraw/zinc/11/33/06/491113306.db2.gz VDTLEEVDTQOLCX-GARJFASQSA-N 1 3 198.310 0.299 10 0 ACAEHO C[C@H](O)CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 308590617 491113397 /nfs/dbraw/zinc/11/33/97/491113397.db2.gz VDTLEEVDTQOLCX-DCAQKATOSA-N 1 3 198.310 0.299 10 0 ACAEHO OCC1([NH2+]C2CCNCC2)CCCC1 53045733 1188769496 /nfs/dbraw/zinc/76/94/96/1188769496.db2.gz JTLMCVCNFVXICA-UHFFFAOYSA-N 1 3 198.310 0.633 10 0 ACAEHO [NH3+][C@H]1CCCN(C[C@@H]2CCCO2)CC1 75124756 1188774260 /nfs/dbraw/zinc/77/42/60/1188774260.db2.gz YBNXQYZOTSMZCO-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@@H]1CCCN(C[C@@H]2CCCO2)CC1 75124760 1188774868 /nfs/dbraw/zinc/77/48/68/1188774868.db2.gz YBNXQYZOTSMZCO-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H](O)CNC1CC[NH2+]CC1 229962745 1188791835 /nfs/dbraw/zinc/79/18/35/1188791835.db2.gz AVICVSXEUWODRU-VIFPVBQESA-N 1 3 172.272 0.099 10 0 ACAEHO CC[C@H](O)C[NH2+]C1CCNCC1 229962745 1188791832 /nfs/dbraw/zinc/79/18/32/1188791832.db2.gz AVICVSXEUWODRU-VIFPVBQESA-N 1 3 172.272 0.099 10 0 ACAEHO N[C@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 306244709 1188796896 /nfs/dbraw/zinc/79/68/96/1188796896.db2.gz VMUKEQQZIJLCLV-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 306244709 1188796899 /nfs/dbraw/zinc/79/68/99/1188796899.db2.gz VMUKEQQZIJLCLV-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 306244710 1188797057 /nfs/dbraw/zinc/79/70/57/1188797057.db2.gz VMUKEQQZIJLCLV-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 306244710 1188797061 /nfs/dbraw/zinc/79/70/61/1188797061.db2.gz VMUKEQQZIJLCLV-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[NH2+]C1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)O 306241702 1188797076 /nfs/dbraw/zinc/79/70/76/1188797076.db2.gz MFKGKLHCKKUEIW-UBJLHIIHSA-N 1 3 198.310 0.582 10 0 ACAEHO N[C@@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 306244707 1188797084 /nfs/dbraw/zinc/79/70/84/1188797084.db2.gz VMUKEQQZIJLCLV-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 306244707 1188797086 /nfs/dbraw/zinc/79/70/86/1188797086.db2.gz VMUKEQQZIJLCLV-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[NH2+]C1C[C@@H]2CC[C@H](C1)N2C[C@H](C)O 306241701 1188797104 /nfs/dbraw/zinc/79/71/04/1188797104.db2.gz MFKGKLHCKKUEIW-OFLUOSHYSA-N 1 3 198.310 0.582 10 0 ACAEHO N[C@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 306244708 1188797173 /nfs/dbraw/zinc/79/71/73/1188797173.db2.gz VMUKEQQZIJLCLV-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 306244708 1188797174 /nfs/dbraw/zinc/79/71/74/1188797174.db2.gz VMUKEQQZIJLCLV-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)CCO1 306449953 1188798573 /nfs/dbraw/zinc/79/85/73/1188798573.db2.gz YTRGTXNDLJWYFM-GWOFURMSSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1CC[N@H+](CCCO)CCN1 306738644 1188800466 /nfs/dbraw/zinc/80/04/66/1188800466.db2.gz ANNUALWJBODQGC-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@@H]1CC[N@@H+](CCCO)CCN1 306738644 1188800471 /nfs/dbraw/zinc/80/04/71/1188800471.db2.gz ANNUALWJBODQGC-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H]1CC[N@H+](CCCO)CCN1 306738645 1188801102 /nfs/dbraw/zinc/80/11/02/1188801102.db2.gz ANNUALWJBODQGC-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO C[C@H]1CC[N@@H+](CCCO)CCN1 306738645 1188801106 /nfs/dbraw/zinc/80/11/06/1188801106.db2.gz ANNUALWJBODQGC-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CCN1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 307034441 1188804213 /nfs/dbraw/zinc/80/42/13/1188804213.db2.gz MSSKFCODWLAAEH-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO COC1(C)CN(CC2CC[NH2+]CC2)C1 307037376 1188804248 /nfs/dbraw/zinc/80/42/48/1188804248.db2.gz GCVAQNQEGADZDJ-UHFFFAOYSA-N 1 3 198.310 0.707 10 0 ACAEHO CCN1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 307034443 1188804469 /nfs/dbraw/zinc/80/44/69/1188804469.db2.gz MSSKFCODWLAAEH-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO CCN1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 307034440 1188804482 /nfs/dbraw/zinc/80/44/82/1188804482.db2.gz MSSKFCODWLAAEH-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CCN1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 307034442 1188805008 /nfs/dbraw/zinc/80/50/08/1188805008.db2.gz MSSKFCODWLAAEH-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CN(CCF)CCCC[NH3+] 307038661 1188805055 /nfs/dbraw/zinc/80/50/55/1188805055.db2.gz HJQZZAXIBNOQID-UHFFFAOYSA-N 1 3 148.225 0.627 10 0 ACAEHO C[C@H](CN)C[NH2+][C@@H]1CCSC1 307692289 1188808797 /nfs/dbraw/zinc/80/87/97/1188808797.db2.gz REJKZRWEKZAHSN-HTQZYQBOSA-N 1 3 174.313 0.676 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@@H]1CCSC1 307692290 1188809233 /nfs/dbraw/zinc/80/92/33/1188809233.db2.gz REJKZRWEKZAHSN-JGVFFNPUSA-N 1 3 174.313 0.676 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1CCSC1 307692291 1188809328 /nfs/dbraw/zinc/80/93/28/1188809328.db2.gz REJKZRWEKZAHSN-SFYZADRCSA-N 1 3 174.313 0.676 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@H]1CCSC1 307692292 1188809371 /nfs/dbraw/zinc/80/93/71/1188809371.db2.gz REJKZRWEKZAHSN-YUMQZZPRSA-N 1 3 174.313 0.676 10 0 ACAEHO CCCCN1CCNCC[NH2+]CC1 141196784 697649229 /nfs/dbraw/zinc/64/92/29/697649229.db2.gz KKNFVXCMEKWCSF-UHFFFAOYSA-N 1 3 185.315 0.281 10 0 ACAEHO COCC[N@@H+]1CCNCCC1(C)C 219276697 697685569 /nfs/dbraw/zinc/68/55/69/697685569.db2.gz DMZAKFRTDQWYSR-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO COCC[N@H+]1CCNCCC1(C)C 219276697 697685573 /nfs/dbraw/zinc/68/55/73/697685573.db2.gz DMZAKFRTDQWYSR-UHFFFAOYSA-N 1 3 186.299 0.707 10 0 ACAEHO CO[C@H]1C[C@@H](C[N@H+](C)CCCN)C1 721914159 698070185 /nfs/dbraw/zinc/07/01/85/698070185.db2.gz MAOBVMNZVVNEPI-AOOOYVTPSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H]1C[C@@H](C[N@@H+](C)CCCN)C1 721914159 698070189 /nfs/dbraw/zinc/07/01/89/698070189.db2.gz MAOBVMNZVVNEPI-AOOOYVTPSA-N 1 3 186.299 0.692 10 0 ACAEHO CO[C@H]1C[C@@H](CN(C)C2CC([NH3+])C2)C1 721954624 698070408 /nfs/dbraw/zinc/07/04/08/698070408.db2.gz JHDGYZBWZPWSAS-ALIZVPSGSA-N 1 3 198.310 0.833 10 0 ACAEHO CO[C@H]1CC[C@H]1N(C)CCC[NH3+] 724146783 698075066 /nfs/dbraw/zinc/07/50/66/698075066.db2.gz LXZKQTYNHXJQPL-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@H]1CC[C@@H]1N(C)CCC[NH3+] 724146786 698075082 /nfs/dbraw/zinc/07/50/82/698075082.db2.gz LXZKQTYNHXJQPL-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@@H]1CC[C@H]1N(C)CCC[NH3+] 724146788 698075288 /nfs/dbraw/zinc/07/52/88/698075288.db2.gz LXZKQTYNHXJQPL-RKDXNWHRSA-N 1 3 172.272 0.444 10 0 ACAEHO CO[C@@H]1CC[C@@H]1N(C)CCC[NH3+] 724146784 698075395 /nfs/dbraw/zinc/07/53/95/698075395.db2.gz LXZKQTYNHXJQPL-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO N=C1NCN(c2ccccc2)C(=[NH2+])N1 13809241 132184043 /nfs/dbraw/zinc/18/40/43/132184043.db2.gz RLKGBZALMDTISP-UHFFFAOYSA-N 1 3 189.222 0.094 10 0 ACAEHO [NH3+]C[C@H]1CN(c2ccncc2)CCO1 41059067 132190624 /nfs/dbraw/zinc/19/06/24/132190624.db2.gz VHIWIJIQOLKCFF-JTQLQIEISA-N 1 3 193.250 0.246 10 0 ACAEHO [NH3+]C[C@@H]1CN(c2ccncc2)CCO1 41059066 132190897 /nfs/dbraw/zinc/19/08/97/132190897.db2.gz VHIWIJIQOLKCFF-SNVBAGLBSA-N 1 3 193.250 0.246 10 0 ACAEHO CN(CCNC(N)=[NH2+])C1CCCCC1 2019309 342966890 /nfs/dbraw/zinc/96/68/90/342966890.db2.gz ILZNQIXWPJXOCK-UHFFFAOYSA-N 1 3 198.314 0.734 10 0 ACAEHO CC[C@H](N)[C@H](C)[NH+](C)C 23067956 343082930 /nfs/dbraw/zinc/08/29/30/343082930.db2.gz OSNYMGRGGIIETC-BQBZGAKWSA-N 1 3 130.235 0.674 10 0 ACAEHO CN(C1CC1)C1CC([NH3+])C1 23836820 343084540 /nfs/dbraw/zinc/08/45/40/343084540.db2.gz LGXNYOJFLNHZSP-UHFFFAOYSA-N 1 3 140.230 0.570 10 0 ACAEHO CCN[C@@H](C)[C@H]1CC[NH2+]C1 34115228 343110858 /nfs/dbraw/zinc/11/08/58/343110858.db2.gz YAXNZIHOGOMMCQ-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CC[C@H](N)C1 35735976 343137925 /nfs/dbraw/zinc/13/79/25/343137925.db2.gz WKYDTBRYDKVPDG-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CC[C@H](N)C1 35735976 343137926 /nfs/dbraw/zinc/13/79/26/343137926.db2.gz WKYDTBRYDKVPDG-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC[C@H](O)C1 36128457 343140590 /nfs/dbraw/zinc/14/05/90/343140590.db2.gz BHFDWGFPMXJUQZ-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)N1CCN([C@H](C)C[NH3+])CC1 36170836 343141099 /nfs/dbraw/zinc/14/10/99/343141099.db2.gz CGFBYFQHFGRTOT-SNVBAGLBSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@H](C)[N@H+](C)[C@@H]1COCC[C@@H]1N 36305413 343144050 /nfs/dbraw/zinc/14/40/50/343144050.db2.gz GIWILNXFDHORSD-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H](C)[N@@H+](C)[C@@H]1COCC[C@@H]1N 36305413 343144051 /nfs/dbraw/zinc/14/40/51/343144051.db2.gz GIWILNXFDHORSD-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO CN1CCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 37157169 343161687 /nfs/dbraw/zinc/16/16/87/343161687.db2.gz ZDSRWULQADXGPN-GHMZBOCLSA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCC[C@H](NC2CC[NH2+]CC2)C1 40673207 343220876 /nfs/dbraw/zinc/22/08/76/343220876.db2.gz BXLKHAAHJZCUFH-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@H]([NH2+]C2CCNCC2)C1 40673207 343220877 /nfs/dbraw/zinc/22/08/77/343220877.db2.gz BXLKHAAHJZCUFH-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H](N2CCC([NH3+])CC2)C1 40715845 343221224 /nfs/dbraw/zinc/22/12/24/343221224.db2.gz AAJMGUCZDZNQAH-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC[C@H](N2CCC([NH3+])CC2)C1 40715844 343221323 /nfs/dbraw/zinc/22/13/23/343221323.db2.gz AAJMGUCZDZNQAH-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO N[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 41030051 343225793 /nfs/dbraw/zinc/22/57/93/343225793.db2.gz XWJZXHANDMEXQY-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 41030051 343225794 /nfs/dbraw/zinc/22/57/94/343225794.db2.gz XWJZXHANDMEXQY-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](CC[NH3+])N1CCC(O)CC1 41042495 343226147 /nfs/dbraw/zinc/22/61/47/343226147.db2.gz FIODCXIQMADKGW-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1CCCN(C)CC1 41053764 343228672 /nfs/dbraw/zinc/22/86/72/343228672.db2.gz WBFOVWGVDOCNEI-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+](C)C1CC1 41053784 343228792 /nfs/dbraw/zinc/22/87/92/343228792.db2.gz KYFIGAYXKQUICH-NKWVEPMBSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+](C)C1CC1 41053784 343228794 /nfs/dbraw/zinc/22/87/94/343228794.db2.gz KYFIGAYXKQUICH-NKWVEPMBSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH+](C)C 41053748 343228827 /nfs/dbraw/zinc/22/88/27/343228827.db2.gz VCRFEZWLBSZISX-NTSWFWBYSA-N 1 3 116.208 0.284 10 0 ACAEHO CNCC[C@H]1CCC[NH2+]1 42172303 343237613 /nfs/dbraw/zinc/23/76/13/343237613.db2.gz WDWKOHSFJFGUIX-SSDOTTSWSA-N 1 3 128.219 0.348 10 0 ACAEHO N[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@H](O)C1 42470184 343244239 /nfs/dbraw/zinc/24/42/39/343244239.db2.gz VBULDIQCQQYYHO-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](O)C1 42470184 343244241 /nfs/dbraw/zinc/24/42/41/343244241.db2.gz VBULDIQCQQYYHO-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO CN1CC[C@@H](Nc2cc[nH+]cc2N)C1 42544885 343245714 /nfs/dbraw/zinc/24/57/14/343245714.db2.gz HKUGVOPZVRFTAP-MRVPVSSYSA-N 1 3 192.266 0.780 10 0 ACAEHO C[C@H](C[NH3+])NC1CC1 50271234 343280682 /nfs/dbraw/zinc/28/06/82/343280682.db2.gz ZTDQEMQSXIMPFF-RXMQYKEDSA-N 1 3 114.192 0.086 10 0 ACAEHO CC(C)N[C@]1(C[NH3+])CCSC1 50270726 343280724 /nfs/dbraw/zinc/28/07/24/343280724.db2.gz AOHNVBRLWAEENI-QMMMGPOBSA-N 1 3 174.313 0.819 10 0 ACAEHO CC(C)N[C@@]1(C[NH3+])CCSC1 50270727 343280730 /nfs/dbraw/zinc/28/07/30/343280730.db2.gz AOHNVBRLWAEENI-MRVPVSSYSA-N 1 3 174.313 0.819 10 0 ACAEHO CNC1(C[NH3+])Cc2ccccc2C1 50269993 343280621 /nfs/dbraw/zinc/28/06/21/343280621.db2.gz VRSJSWDAKAMLMN-UHFFFAOYSA-N 1 3 176.263 0.702 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 50249302 343280660 /nfs/dbraw/zinc/28/06/60/343280660.db2.gz UEFMVYCSDUGEQP-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 50249302 343280661 /nfs/dbraw/zinc/28/06/61/343280661.db2.gz UEFMVYCSDUGEQP-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO CN(C[C@H]1CC[NH2+]C1)C1CCOCC1 51889536 343295762 /nfs/dbraw/zinc/29/57/62/343295762.db2.gz WTNSTJLDUONVSM-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO NC(=[NH2+])N[C@H]1CCN2CCCC[C@@H]12 52036154 343298556 /nfs/dbraw/zinc/29/85/56/343298556.db2.gz SHYZPFKJPAEEQA-YUMQZZPRSA-N 1 3 182.271 0.096 10 0 ACAEHO CCNC(=[NH2+])N[C@H]1CCN2CCC[C@H]12 52044200 343299472 /nfs/dbraw/zinc/29/94/72/343299472.db2.gz CPASPMCSPSHQAN-DTWKUNHWSA-N 1 3 196.298 0.357 10 0 ACAEHO C[C@@H]1C[C@H]1NC[C@@H]1CCC[NH2+]C1 52294347 343305179 /nfs/dbraw/zinc/30/51/79/343305179.db2.gz KLLUZWDCYZUWPH-OPRDCNLKSA-N 1 3 168.284 0.984 10 0 ACAEHO C[NH2+]CC[C@@H](C)N(C)C 52422708 343306246 /nfs/dbraw/zinc/30/62/46/343306246.db2.gz RPGOGWPIRHVNSS-SSDOTTSWSA-N 1 3 130.235 0.546 10 0 ACAEHO CN(C)C[C@@H]1CC[C@@H](C[NH3+])O1 52422762 343306251 /nfs/dbraw/zinc/30/62/51/343306251.db2.gz CGIDJYJGTIYNLS-YUMQZZPRSA-N 1 3 158.245 0.054 10 0 ACAEHO C[C@H]1C[C@H]1[NH2+]C1CCNCC1 52275100 343303728 /nfs/dbraw/zinc/30/37/28/343303728.db2.gz MJPATPIGSVPUIN-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1C[C@H]1NC1CC[NH2+]CC1 52275100 343303729 /nfs/dbraw/zinc/30/37/29/343303729.db2.gz MJPATPIGSVPUIN-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1C[C@@H]1[NH2+]C1CCNCC1 52275095 343303746 /nfs/dbraw/zinc/30/37/46/343303746.db2.gz MJPATPIGSVPUIN-CBAPKCEASA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1C[C@@H]1NC1CC[NH2+]CC1 52275095 343303747 /nfs/dbraw/zinc/30/37/47/343303747.db2.gz MJPATPIGSVPUIN-CBAPKCEASA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1C[C@H]1N1CCC([NH3+])CC1 52288896 343304113 /nfs/dbraw/zinc/30/41/13/343304113.db2.gz QIQXRCKCLUSWKK-IONNQARKSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@@H]1N1CCC([NH3+])CC1 52288891 343304132 /nfs/dbraw/zinc/30/41/32/343304132.db2.gz QIQXRCKCLUSWKK-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@H]1[N@@H+]1CC[C@H](CN)C1 52289317 343304140 /nfs/dbraw/zinc/30/41/40/343304140.db2.gz DUSIUTWLUZXZQA-IWSPIJDZSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1C[C@H]1[N@H+]1CC[C@H](CN)C1 52289317 343304141 /nfs/dbraw/zinc/30/41/41/343304141.db2.gz DUSIUTWLUZXZQA-IWSPIJDZSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H](C[NH3+])OC1CCN(C)CC1 52596658 343306617 /nfs/dbraw/zinc/30/66/17/343306617.db2.gz ZKWCSUGNOCKPGQ-MRVPVSSYSA-N 1 3 172.272 0.444 10 0 ACAEHO CN1CCC[C@H](N(C)C(C)(C)C[NH3+])C1 53244642 343313299 /nfs/dbraw/zinc/31/32/99/343313299.db2.gz BDPFNCZFQUPMCC-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO CNC(=[NH2+])N(C)[C@@H]1CCCN(C)C1 53247478 343313513 /nfs/dbraw/zinc/31/35/13/343313513.db2.gz CNEGSGBWZCRJFI-MRVPVSSYSA-N 1 3 184.287 0.167 10 0 ACAEHO CCNC(=[NH2+])N(C)[C@@H]1CCCN(C)C1 53247465 343313527 /nfs/dbraw/zinc/31/35/27/343313527.db2.gz OIXOQBZZXDDMNR-SECBINFHSA-N 1 3 198.314 0.557 10 0 ACAEHO CNC(=[NH2+])N(C)[C@H]1CCCN(C)C1 53247480 343313714 /nfs/dbraw/zinc/31/37/14/343313714.db2.gz CNEGSGBWZCRJFI-QMMMGPOBSA-N 1 3 184.287 0.167 10 0 ACAEHO CC[C@H](C)NC[C@@H](C)[NH2+]C 53493248 343314547 /nfs/dbraw/zinc/31/45/47/343314547.db2.gz COBQHFJELLWGDO-JGVFFNPUSA-N 1 3 144.262 0.982 10 0 ACAEHO C[NH2+]CCNc1ccncc1 54244777 343321087 /nfs/dbraw/zinc/32/10/87/343321087.db2.gz PMGUYNADUFMULF-UHFFFAOYSA-N 1 3 151.213 0.713 10 0 ACAEHO C[C@H]1CN(C2CCC([NH3+])CC2)CCO1 55144225 343334263 /nfs/dbraw/zinc/33/42/63/343334263.db2.gz AQOARTAQWQZUFA-WHXUTIOJSA-N 1 3 198.310 0.977 10 0 ACAEHO CN(C)C[C@@H]1CCC[C@@H]1[NH3+] 55483410 343336121 /nfs/dbraw/zinc/33/61/21/343336121.db2.gz DPRDFTIGFKZCPX-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CCC[NH2+][C@@H]1CCNC1 57450231 343337197 /nfs/dbraw/zinc/33/71/97/343337197.db2.gz SYVFICHTUJLWRR-SSDOTTSWSA-N 1 3 128.219 0.348 10 0 ACAEHO C[N@H+](CC1CCC1)[C@H]1COCC[C@@H]1N 61455996 343356617 /nfs/dbraw/zinc/35/66/17/343356617.db2.gz BJBAYSMHNXIKNX-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](CC1CCC1)[C@H]1COCC[C@@H]1N 61455996 343356618 /nfs/dbraw/zinc/35/66/18/343356618.db2.gz BJBAYSMHNXIKNX-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CCNC[C@]1(C)CC[NH2+]C1 62911439 343384554 /nfs/dbraw/zinc/38/45/54/343384554.db2.gz ZENBRLPBZVRDBM-QMMMGPOBSA-N 1 3 142.246 0.596 10 0 ACAEHO CC[C@@]1(C[NH2+]C)CCCNC1 62862260 343383481 /nfs/dbraw/zinc/38/34/81/343383481.db2.gz ZVWMGSLMAXCFKK-VIFPVBQESA-N 1 3 156.273 0.986 10 0 ACAEHO CC[C@]1(C[NH2+]C)CCCNC1 62862259 343383692 /nfs/dbraw/zinc/38/36/92/343383692.db2.gz ZVWMGSLMAXCFKK-SECBINFHSA-N 1 3 156.273 0.986 10 0 ACAEHO CC(=[NH2+])N[C@@H]1CCN2CCC[C@H]12 62987444 343390854 /nfs/dbraw/zinc/39/08/54/343390854.db2.gz JSRTWUSYPIQHCE-RKDXNWHRSA-N 1 3 167.256 0.810 10 0 ACAEHO Cn1ccnc1N[C@@H]1CCC[C@@H]1[NH3+] 63176990 343404864 /nfs/dbraw/zinc/40/48/64/343404864.db2.gz XBZDOFSSSUOELB-JGVFFNPUSA-N 1 3 180.255 0.712 10 0 ACAEHO Cn1ccnc1N[C@H]1CCC[C@@H]1[NH3+] 63176992 343404882 /nfs/dbraw/zinc/40/48/82/343404882.db2.gz XBZDOFSSSUOELB-YUMQZZPRSA-N 1 3 180.255 0.712 10 0 ACAEHO Cn1ccnc1N[C@@H]1CCC[C@H]1[NH3+] 63176994 343404891 /nfs/dbraw/zinc/40/48/91/343404891.db2.gz XBZDOFSSSUOELB-HTQZYQBOSA-N 1 3 180.255 0.712 10 0 ACAEHO Cn1ccnc1N[C@H]1CCC[C@H]1[NH3+] 63176996 343404911 /nfs/dbraw/zinc/40/49/11/343404911.db2.gz XBZDOFSSSUOELB-SFYZADRCSA-N 1 3 180.255 0.712 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1C[C@@H](C)O 69728833 343438618 /nfs/dbraw/zinc/43/86/18/343438618.db2.gz YQRLNDQSWDAFSG-AEJSXWLSSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])CN1C[C@@H](C)O 69728833 343438620 /nfs/dbraw/zinc/43/86/20/343438620.db2.gz YQRLNDQSWDAFSG-AEJSXWLSSA-N 1 3 186.299 0.426 10 0 ACAEHO CO[C@@H]1CCC[C@@H](N2CC[C@H]([NH3+])C2)C1 69849759 343447990 /nfs/dbraw/zinc/44/79/90/343447990.db2.gz LKXSRWGNMFASHG-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1CCC[C@H](N2CC[C@H]([NH3+])C2)C1 69849756 343448065 /nfs/dbraw/zinc/44/80/65/343448065.db2.gz LKXSRWGNMFASHG-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@]1(C)C[C@](N)(C[NH3+])CCO1 69892249 343451381 /nfs/dbraw/zinc/45/13/81/343451381.db2.gz PZXIEPBWINEGMB-BDAKNGLRSA-N 1 3 172.272 0.622 10 0 ACAEHO CC[C@@H]1C[C@@](N)(C[NH3+])CCO1 69892238 343451384 /nfs/dbraw/zinc/45/13/84/343451384.db2.gz IGFNZJZUPGWLON-HTQZYQBOSA-N 1 3 158.245 0.232 10 0 ACAEHO CC(C)[C@H]1C[C@](N)(C[NH3+])CCO1 69892256 343451398 /nfs/dbraw/zinc/45/13/98/343451398.db2.gz QVMLQNGNESEUFN-BDAKNGLRSA-N 1 3 172.272 0.478 10 0 ACAEHO CC(C)[C@H]1C[C@@](N)(C[NH3+])CCO1 69892258 343451401 /nfs/dbraw/zinc/45/14/01/343451401.db2.gz QVMLQNGNESEUFN-RKDXNWHRSA-N 1 3 172.272 0.478 10 0 ACAEHO C[C@@H]1C[C@@](C[NH3+])(NC2CC2)CCO1 69892530 343451410 /nfs/dbraw/zinc/45/14/10/343451410.db2.gz IQGGVQFPNPSDKY-SCZZXKLOSA-N 1 3 184.283 0.635 10 0 ACAEHO CC1(C)C[C@@H](N2CC[C@H]([NH3+])C2)CCO1 69894189 343452906 /nfs/dbraw/zinc/45/29/06/343452906.db2.gz YZGWURYLHYSMPP-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]C[C@H]1CCCN([C@@H]2CCCOC2)C1 70016472 343466590 /nfs/dbraw/zinc/46/65/90/343466590.db2.gz YINLENYYWGVURQ-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CCCOCC1 70046142 343468845 /nfs/dbraw/zinc/46/88/45/343468845.db2.gz UXOCYBRWJPLYII-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CCCOCC1 70046142 343468846 /nfs/dbraw/zinc/46/88/46/343468846.db2.gz UXOCYBRWJPLYII-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[N@@H+]1CCCOCC1 70046140 343468857 /nfs/dbraw/zinc/46/88/57/343468857.db2.gz UXOCYBRWJPLYII-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[N@H+]1CCCOCC1 70046140 343468858 /nfs/dbraw/zinc/46/88/58/343468858.db2.gz UXOCYBRWJPLYII-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CC[C@@](N)(C[NH3+])C1 70644427 343515591 /nfs/dbraw/zinc/51/55/91/343515591.db2.gz QQWWXMWPUZVFTJ-BQBZGAKWSA-N 1 3 128.219 0.463 10 0 ACAEHO CC[C@H]1CC[C@@](N)(C[NH3+])C1 70644423 343515603 /nfs/dbraw/zinc/51/56/03/343515603.db2.gz QWBOLBXPANEODI-YUMQZZPRSA-N 1 3 142.246 0.853 10 0 ACAEHO CC[C@@H]1CC[C@](N)(C[NH3+])C1 70644420 343515616 /nfs/dbraw/zinc/51/56/16/343515616.db2.gz QWBOLBXPANEODI-HTQZYQBOSA-N 1 3 142.246 0.853 10 0 ACAEHO CC(C)N1CCO[C@H](CC[NH3+])C1 70649875 343518601 /nfs/dbraw/zinc/51/86/01/343518601.db2.gz VLGSMIBVGNRUOM-SECBINFHSA-N 1 3 172.272 0.444 10 0 ACAEHO C1COC[C@H](NC2CC[NH2+]CC2)C1 71012561 343548501 /nfs/dbraw/zinc/54/85/01/343548501.db2.gz GHYDPHRIWGTODQ-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO C1COC[C@H]([NH2+]C2CCNCC2)C1 71012561 343548502 /nfs/dbraw/zinc/54/85/02/343548502.db2.gz GHYDPHRIWGTODQ-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO CC(C)N1CC[C@@H]([NH3+])[C@H]1C 84327774 343634101 /nfs/dbraw/zinc/63/41/01/343634101.db2.gz JAUXVWZLVDFGSD-HTQZYQBOSA-N 1 3 142.246 0.816 10 0 ACAEHO CC(C)N1CC[C@H]([NH3+])[C@H]1C 84327776 343634125 /nfs/dbraw/zinc/63/41/25/343634125.db2.gz JAUXVWZLVDFGSD-SFYZADRCSA-N 1 3 142.246 0.816 10 0 ACAEHO C[N@@H+]1CCCCC[C@H](N)C1 98193166 343707271 /nfs/dbraw/zinc/70/72/71/343707271.db2.gz GCWDIPJSRXHHFM-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO C[N@H+]1CCCCC[C@H](N)C1 98193166 343707272 /nfs/dbraw/zinc/70/72/72/343707272.db2.gz GCWDIPJSRXHHFM-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO [NH3+]CCCN1C[C@H]2C[C@H]2C1 107115610 343739998 /nfs/dbraw/zinc/73/99/98/343739998.db2.gz VGPKXNAEZWRERE-OCAPTIKFSA-N 1 3 140.230 0.287 10 0 ACAEHO CC(C)(C[NH3+])N1CCC[C@@H]1CO 107124003 343741956 /nfs/dbraw/zinc/74/19/56/343741956.db2.gz UHPSCVGNLSNLEI-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)(C[NH3+])N1CCC[C@H]1CO 107124007 343742013 /nfs/dbraw/zinc/74/20/13/343742013.db2.gz UHPSCVGNLSNLEI-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO CCN(C)[C@]1(C[NH3+])C[C@H](C)N(C)C1 126865843 343798615 /nfs/dbraw/zinc/79/86/15/343798615.db2.gz RSRVIBMXVFICRK-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](C[NH3+])N1C[C@H](C)N(C)[C@H](C)C1 127666880 343816498 /nfs/dbraw/zinc/81/64/98/343816498.db2.gz HYGCDQVWRVVDQC-LPEHRKFASA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@@H]1CN(CC2C[NH2+]C2)C[C@@H](C)N1C 129338450 343848616 /nfs/dbraw/zinc/84/86/16/343848616.db2.gz RRSHONFBHDULOI-NXEZZACHSA-N 1 3 197.326 0.230 10 0 ACAEHO CN1CC[C@H](n2cncc2CC[NH3+])C1 131320827 343884076 /nfs/dbraw/zinc/88/40/76/343884076.db2.gz LQLJMICADVZUQJ-JTQLQIEISA-N 1 3 194.282 0.261 10 0 ACAEHO Nc1nc2c(C[NH3+])cccc2[nH]1 131456737 343886009 /nfs/dbraw/zinc/88/60/09/343886009.db2.gz OWFARLPULFTLMZ-UHFFFAOYSA-N 1 3 162.196 0.604 10 0 ACAEHO C/C=C/CN1CC[C@@H](C[NH3+])C1 50247386 166063364 /nfs/dbraw/zinc/06/33/64/166063364.db2.gz NKRDUBYARHPYDE-HPOULIHZSA-N 1 3 154.257 0.843 10 0 ACAEHO C/C=C/CN1CC[C@H](C[NH3+])C1 50247385 166064231 /nfs/dbraw/zinc/06/42/31/166064231.db2.gz NKRDUBYARHPYDE-GKQMSVHHSA-N 1 3 154.257 0.843 10 0 ACAEHO C1CC(NC[C@@H]2CC[NH2+]C2)C1 62117143 166082827 /nfs/dbraw/zinc/08/28/27/166082827.db2.gz GONGIVUDKXPIKP-MRVPVSSYSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC(NC[C@H]2CC[NH2+]C2)C1 62117144 166083077 /nfs/dbraw/zinc/08/30/77/166083077.db2.gz GONGIVUDKXPIKP-QMMMGPOBSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC([NH2+][C@H]2CC23CC3)CCN1 335077584 166083417 /nfs/dbraw/zinc/08/34/17/166083417.db2.gz NQCUDKBGHUDJPR-VIFPVBQESA-N 1 3 166.268 0.881 10 0 ACAEHO C1CC(N[C@H]2CC23CC3)CC[NH2+]1 335077584 166083418 /nfs/dbraw/zinc/08/34/18/166083418.db2.gz NQCUDKBGHUDJPR-VIFPVBQESA-N 1 3 166.268 0.881 10 0 ACAEHO C1CC([NH2+][C@@H]2CC23CC3)CCN1 335077583 166083509 /nfs/dbraw/zinc/08/35/09/166083509.db2.gz NQCUDKBGHUDJPR-SECBINFHSA-N 1 3 166.268 0.881 10 0 ACAEHO C1CC(N[C@@H]2CC23CC3)CC[NH2+]1 335077583 166083511 /nfs/dbraw/zinc/08/35/11/166083511.db2.gz NQCUDKBGHUDJPR-SECBINFHSA-N 1 3 166.268 0.881 10 0 ACAEHO C1CC([NH2+]C[C@H]2CCOC2)CCN1 38041471 166084232 /nfs/dbraw/zinc/08/42/32/166084232.db2.gz ZJJOZWZDXMNUDB-SECBINFHSA-N 1 3 184.283 0.365 10 0 ACAEHO C1CC2(CC[NH2+]1)CN(C1CC1)C2 95937463 166085639 /nfs/dbraw/zinc/08/56/39/166085639.db2.gz WCQPYUNTVLULOQ-UHFFFAOYSA-N 1 3 166.268 0.834 10 0 ACAEHO C1CC2CCCN(C1)CC[NH2+]2 39080572 166085741 /nfs/dbraw/zinc/08/57/41/166085741.db2.gz ZYONWCYGYKCGTK-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO C1CC2CCC[NH+](C1)CCN2 39080572 166085745 /nfs/dbraw/zinc/08/57/45/166085745.db2.gz ZYONWCYGYKCGTK-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO C1CC2(CCN(C3CC3)CC2)[NH2+]1 95082672 166085912 /nfs/dbraw/zinc/08/59/12/166085912.db2.gz OAFPWOJFOPFFSK-UHFFFAOYSA-N 1 3 166.268 0.977 10 0 ACAEHO C1CC1C[NH2+]CC1CNC1 21022188 166086473 /nfs/dbraw/zinc/08/64/73/166086473.db2.gz OIFSCXQWAGQHRS-UHFFFAOYSA-N 1 3 140.230 0.205 10 0 ACAEHO C1CC[C@@H](CNC[C@H]2CC[NH2+]C2)OC1 62117097 166091058 /nfs/dbraw/zinc/09/10/58/166091058.db2.gz KUAFJFJPCDYHKC-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC[C@@H](CNC[C@@H]2CCOC2)[NH2+]C1 61147451 166091083 /nfs/dbraw/zinc/09/10/83/166091083.db2.gz BYBYNMXOLYQEPP-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC[C@@H](CNC2CC[NH2+]CC2)OC1 42817550 166091255 /nfs/dbraw/zinc/09/12/55/166091255.db2.gz PESNJUKGEVRZJL-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO C1CC[C@@H](C[NH2+]C2CCNCC2)OC1 42817550 166091258 /nfs/dbraw/zinc/09/12/58/166091258.db2.gz PESNJUKGEVRZJL-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO C1CCC[NH2+]CCNCC1 24126137 166091589 /nfs/dbraw/zinc/09/15/89/166091589.db2.gz KAIRYYCVSCXLHZ-UHFFFAOYSA-N 1 3 142.246 0.740 10 0 ACAEHO C1CCN(CC2C[NH2+]C2)CC1 91356142 166091604 /nfs/dbraw/zinc/09/16/04/166091604.db2.gz PPEXSODXXKAIIK-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO C1CC[NH+](CC2CNC2)CC1 91356142 166091608 /nfs/dbraw/zinc/09/16/08/166091608.db2.gz PPEXSODXXKAIIK-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO C1CC[N@@H+]2CCC[C@H]2CNC1 21106716 166091876 /nfs/dbraw/zinc/09/18/76/166091876.db2.gz BJOCWFVJCBBOES-VIFPVBQESA-N 1 3 154.257 0.834 10 0 ACAEHO C1CC[N@H+]2CCC[C@H]2CNC1 21106716 166091878 /nfs/dbraw/zinc/09/18/78/166091878.db2.gz BJOCWFVJCBBOES-VIFPVBQESA-N 1 3 154.257 0.834 10 0 ACAEHO C1CCN2CCCN(CCC[NH2+]C1)C2 205710480 166092025 /nfs/dbraw/zinc/09/20/25/166092025.db2.gz XGPIMQKTLQNTKZ-UHFFFAOYSA-N 1 3 197.326 0.725 10 0 ACAEHO C1CCNCC[NH2+]CC1 39318775 166092086 /nfs/dbraw/zinc/09/20/86/166092086.db2.gz IMPHZTQBNGCVCV-UHFFFAOYSA-N 1 3 128.219 0.350 10 0 ACAEHO C1CC[C@@H](CNC[C@@H]2CC[NH2+]C2)OC1 62117095 166092094 /nfs/dbraw/zinc/09/20/94/166092094.db2.gz KUAFJFJPCDYHKC-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO C1CCN(CCNC2CC[NH2+]CC2)C1 38040670 166092195 /nfs/dbraw/zinc/09/21/95/166092195.db2.gz VXRDFQVBCZDYBT-UHFFFAOYSA-N 1 3 197.326 0.424 10 0 ACAEHO C1CCN=C(N2CC[NH2+]CC2)CC1 39114547 166092354 /nfs/dbraw/zinc/09/23/54/166092354.db2.gz RPBBHLZJQDEGCZ-UHFFFAOYSA-N 1 3 181.283 0.864 10 0 ACAEHO C1CCNCCC[NH2+]CC1 24126149 166092489 /nfs/dbraw/zinc/09/24/89/166092489.db2.gz QIBCHPNVYOPDTP-UHFFFAOYSA-N 1 3 142.246 0.740 10 0 ACAEHO C1CC[N@@H+]2CCC[C@@H]2CNC1 21106711 166092815 /nfs/dbraw/zinc/09/28/15/166092815.db2.gz BJOCWFVJCBBOES-SECBINFHSA-N 1 3 154.257 0.834 10 0 ACAEHO C1CC[N@H+]2CCC[C@@H]2CNC1 21106711 166092818 /nfs/dbraw/zinc/09/28/18/166092818.db2.gz BJOCWFVJCBBOES-SECBINFHSA-N 1 3 154.257 0.834 10 0 ACAEHO C1CC[NH+](CC[C@H]2CNCCO2)CC1 34449478 166092822 /nfs/dbraw/zinc/09/28/22/166092822.db2.gz YVHBWKPRHCXHBP-NSHDSACASA-N 1 3 198.310 0.851 10 0 ACAEHO C1CC[C@@H](CNC[C@H]2CCOC2)[NH2+]C1 61147453 166092914 /nfs/dbraw/zinc/09/29/14/166092914.db2.gz BYBYNMXOLYQEPP-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC[NH+](CC[C@@H]2CNCCO2)CC1 34449476 166092940 /nfs/dbraw/zinc/09/29/40/166092940.db2.gz YVHBWKPRHCXHBP-LLVKDONJSA-N 1 3 198.310 0.851 10 0 ACAEHO C1CC[C@H](CNC2CC[NH2+]CC2)OC1 42817554 166093934 /nfs/dbraw/zinc/09/39/34/166093934.db2.gz PESNJUKGEVRZJL-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CC[C@H](C[NH2+]C2CCNCC2)OC1 42817554 166093935 /nfs/dbraw/zinc/09/39/35/166093935.db2.gz PESNJUKGEVRZJL-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CC[C@H](CNC[C@@H]2CC[NH2+]C2)OC1 62117096 166094229 /nfs/dbraw/zinc/09/42/29/166094229.db2.gz KUAFJFJPCDYHKC-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC[C@H](CNC[C@H]2CC[NH2+]C2)OC1 62117098 166094399 /nfs/dbraw/zinc/09/43/99/166094399.db2.gz KUAFJFJPCDYHKC-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC[C@H](CNC[C@H]2CCOC2)[NH2+]C1 61147454 166094833 /nfs/dbraw/zinc/09/48/33/166094833.db2.gz BYBYNMXOLYQEPP-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CC[C@H](CNC[C@@H]2CCOC2)[NH2+]C1 61147452 166095114 /nfs/dbraw/zinc/09/51/14/166095114.db2.gz BYBYNMXOLYQEPP-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNC[C@H](C[NH2+]C[C@H]2CCOC2)C1 61147468 166096763 /nfs/dbraw/zinc/09/67/63/166096763.db2.gz CZLGRMXCGBYIQJ-GHMZBOCLSA-N 1 3 198.310 0.612 10 0 ACAEHO C1C[NH2+][C@H](CCNC[C@@H]2CCCO2)C1 42172329 166097957 /nfs/dbraw/zinc/09/79/57/166097957.db2.gz UUWUZJRPPIJISL-QWRGUYRKSA-N 1 3 198.310 0.897 10 0 ACAEHO C1C[NH2+]C[C@H](NC[C@@H]2CCOC2)C1 43327104 166097978 /nfs/dbraw/zinc/09/79/78/166097978.db2.gz MJZTXWGEESOJOY-VHSXEESVSA-N 1 3 184.283 0.365 10 0 ACAEHO C1C[NH2+][C@H](CCNC[C@H]2CCCO2)C1 42172334 166098037 /nfs/dbraw/zinc/09/80/37/166098037.db2.gz UUWUZJRPPIJISL-WDEREUQCSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CNC[C@H](C[NH2+]C[C@@H]2CCOC2)C1 61147466 166098055 /nfs/dbraw/zinc/09/80/55/166098055.db2.gz CZLGRMXCGBYIQJ-MNOVXSKESA-N 1 3 198.310 0.612 10 0 ACAEHO C1C[NH2+]C[C@H](NC[C@H]2CCOC2)C1 43327106 166098303 /nfs/dbraw/zinc/09/83/03/166098303.db2.gz MJZTXWGEESOJOY-NXEZZACHSA-N 1 3 184.283 0.365 10 0 ACAEHO C1C[NH2+]C[C@H](NCCN2CCCC2)C1 43324662 166098388 /nfs/dbraw/zinc/09/83/88/166098388.db2.gz HJIYVOOKAJPCEX-LLVKDONJSA-N 1 3 197.326 0.424 10 0 ACAEHO C1C[NH2+][C@@H](CCNC2CC2)C1 42172283 166098653 /nfs/dbraw/zinc/09/86/53/166098653.db2.gz GRBKHKAYDQMXNK-MRVPVSSYSA-N 1 3 154.257 0.881 10 0 ACAEHO C1C[NH2+][C@@H](CCNC[C@H]2CCCO2)C1 42172332 166098767 /nfs/dbraw/zinc/09/87/67/166098767.db2.gz UUWUZJRPPIJISL-GHMZBOCLSA-N 1 3 198.310 0.897 10 0 ACAEHO C1C[NH2+][C@H](CCNC2CC2)C1 42172286 166098886 /nfs/dbraw/zinc/09/88/86/166098886.db2.gz GRBKHKAYDQMXNK-QMMMGPOBSA-N 1 3 154.257 0.881 10 0 ACAEHO C1CO[C@H](CNC[C@@H]2CC[NH2+]C2)C1 62117066 166099501 /nfs/dbraw/zinc/09/95/01/166099501.db2.gz RNSRLROLBKNUGO-ZJUUUORDSA-N 1 3 184.283 0.365 10 0 ACAEHO C1CO[C@@H](CNC[C@H]2CC[NH2+]C2)C1 62117067 166099603 /nfs/dbraw/zinc/09/96/03/166099603.db2.gz RNSRLROLBKNUGO-VHSXEESVSA-N 1 3 184.283 0.365 10 0 ACAEHO C1COC[C@@H](C[NH2+]C2CCNCC2)C1 38045196 166100145 /nfs/dbraw/zinc/10/01/45/166100145.db2.gz MFMIXHPXOVWXPK-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CO[C@@H](CNC[C@@H]2CC[NH2+]C2)C1 62117065 166100573 /nfs/dbraw/zinc/10/05/73/166100573.db2.gz RNSRLROLBKNUGO-NXEZZACHSA-N 1 3 184.283 0.365 10 0 ACAEHO C1CO[C@H](CNCC[C@H]2CCC[NH2+]2)C1 42172326 166100580 /nfs/dbraw/zinc/10/05/80/166100580.db2.gz UUWUZJRPPIJISL-MNOVXSKESA-N 1 3 198.310 0.897 10 0 ACAEHO C1CO[C@@H](CNC2CC[NH2+]CC2)C1 38040605 166100724 /nfs/dbraw/zinc/10/07/24/166100724.db2.gz KKLNRFLWLAPAOH-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO C1CO[C@@H](C[NH2+]C2CCNCC2)C1 38040605 166100727 /nfs/dbraw/zinc/10/07/27/166100727.db2.gz KKLNRFLWLAPAOH-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO C1CO[C@@H](CC[NH2+]C2CCNCC2)C1 38096501 166100736 /nfs/dbraw/zinc/10/07/36/166100736.db2.gz WTLUWSVYDUSUGV-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CO[C@@H](CCNC2CC[NH2+]CC2)C1 38096501 166100739 /nfs/dbraw/zinc/10/07/39/166100739.db2.gz WTLUWSVYDUSUGV-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO C1COC[C@@H](CN[C@@H]2CCC[NH2+]C2)C1 43327381 166100785 /nfs/dbraw/zinc/10/07/85/166100785.db2.gz LNUCNASUDRNWLJ-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CO[C@H](CNC[C@H]2CC[NH2+]C2)C1 62117068 166101433 /nfs/dbraw/zinc/10/14/33/166101433.db2.gz RNSRLROLBKNUGO-UWVGGRQHSA-N 1 3 184.283 0.365 10 0 ACAEHO C1COC[C@H](CN[C@@H]2CCC[NH2+]C2)C1 43327379 166101677 /nfs/dbraw/zinc/10/16/77/166101677.db2.gz LNUCNASUDRNWLJ-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CO[C@H](CNC2CC[NH2+]CC2)C1 38040606 166101693 /nfs/dbraw/zinc/10/16/93/166101693.db2.gz KKLNRFLWLAPAOH-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO C1CO[C@H](C[NH2+]C2CCNCC2)C1 38040606 166101695 /nfs/dbraw/zinc/10/16/95/166101695.db2.gz KKLNRFLWLAPAOH-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO C1COC[C@H](C[NH2+]C2CCNCC2)C1 38045197 166101723 /nfs/dbraw/zinc/10/17/23/166101723.db2.gz MFMIXHPXOVWXPK-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO C1CO[C@H](CC[NH2+]C2CCNCC2)C1 38096502 166101854 /nfs/dbraw/zinc/10/18/54/166101854.db2.gz WTLUWSVYDUSUGV-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO C1CO[C@H](CCNC2CC[NH2+]CC2)C1 38096502 166101855 /nfs/dbraw/zinc/10/18/55/166101855.db2.gz WTLUWSVYDUSUGV-NSHDSACASA-N 1 3 198.310 0.897 10 0 ACAEHO C1C[C@@H]2CCN2CC[NH2+]1 39077495 166104264 /nfs/dbraw/zinc/10/42/64/166104264.db2.gz ADWMSBOHCPPYGM-SSDOTTSWSA-N 1 3 126.203 0.054 10 0 ACAEHO C1C[C@H]2CCN2CC[NH2+]1 39077494 166106311 /nfs/dbraw/zinc/10/63/11/166106311.db2.gz ADWMSBOHCPPYGM-ZETCQYMHSA-N 1 3 126.203 0.054 10 0 ACAEHO C1CC([NH2+]C[C@@H]2CCOC2)CCN1 38041470 166082669 /nfs/dbraw/zinc/08/26/69/166082669.db2.gz ZJJOZWZDXMNUDB-VIFPVBQESA-N 1 3 184.283 0.365 10 0 ACAEHO C=COCCC[NH2+]C1CCNCC1 38040769 166211972 /nfs/dbraw/zinc/21/19/72/166211972.db2.gz SOKHUWQACUUEGK-UHFFFAOYSA-N 1 3 184.283 0.878 10 0 ACAEHO C=COCCCNC1CC[NH2+]CC1 38040769 166211973 /nfs/dbraw/zinc/21/19/73/166211973.db2.gz SOKHUWQACUUEGK-UHFFFAOYSA-N 1 3 184.283 0.878 10 0 ACAEHO CC(=O)CCN1CC[C@@H](C[NH3+])C1 50250339 166241182 /nfs/dbraw/zinc/24/11/82/166241182.db2.gz LQRMYJMRYNPPKG-VIFPVBQESA-N 1 3 170.256 0.246 10 0 ACAEHO CC(=O)CCN1CC[C@H](C[NH3+])C1 50250337 166241809 /nfs/dbraw/zinc/24/18/09/166241809.db2.gz LQRMYJMRYNPPKG-SECBINFHSA-N 1 3 170.256 0.246 10 0 ACAEHO C[C@@H]1CC(N)(C[NH3+])C[C@@H](C)O1 133450072 343918901 /nfs/dbraw/zinc/91/89/01/343918901.db2.gz ZZHSZFCCZVNGRD-RNFRBKRXSA-N 1 3 158.245 0.230 10 0 ACAEHO CC(=O)[C@@H](N)CCCC[NH3+] 6363627 166298095 /nfs/dbraw/zinc/29/80/95/166298095.db2.gz FADKJNSSIWTVAI-ZETCQYMHSA-N 1 3 144.218 0.032 10 0 in-vitro ACAEHO CC(=O)[C@H](N)CCCC[NH3+] 6363603 166308688 /nfs/dbraw/zinc/30/86/88/166308688.db2.gz FADKJNSSIWTVAI-SSDOTTSWSA-N 1 3 144.218 0.032 10 0 ACAEHO CC(C)(C)C(CN)C[NH3+] 44248751 166349191 /nfs/dbraw/zinc/34/91/91/166349191.db2.gz NKMQNKNMUHHDAN-UHFFFAOYSA-N 1 3 130.235 0.566 10 0 ACAEHO CC(C)(C)C[NH2+]CCCN 40494950 166353720 /nfs/dbraw/zinc/35/37/20/166353720.db2.gz FROFFPBBKVQUFE-UHFFFAOYSA-N 1 3 144.262 0.971 10 0 ACAEHO CC(C)(C)N1CCNC[C@H]1C[NH3+] 39113708 166359466 /nfs/dbraw/zinc/35/94/66/166359466.db2.gz ZGCDWLGKYMMMFR-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@@H+]1CCNC[C@H]1CN 39113708 166359469 /nfs/dbraw/zinc/35/94/69/166359469.db2.gz ZGCDWLGKYMMMFR-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@H+]1CCNC[C@H]1CN 39113708 166359471 /nfs/dbraw/zinc/35/94/71/166359471.db2.gz ZGCDWLGKYMMMFR-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)N1CCO[C@H](CC[NH3+])C1 71499904 166360004 /nfs/dbraw/zinc/36/00/04/166360004.db2.gz MHZREMUJKNIWLS-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)N1CCO[C@@H](CC[NH3+])C1 71499906 166360079 /nfs/dbraw/zinc/36/00/79/166360079.db2.gz MHZREMUJKNIWLS-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)N1CCNC[C@@H]1C[NH3+] 39113707 166360365 /nfs/dbraw/zinc/36/03/65/166360365.db2.gz ZGCDWLGKYMMMFR-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@@H+]1CCNC[C@@H]1CN 39113707 166360369 /nfs/dbraw/zinc/36/03/69/166360369.db2.gz ZGCDWLGKYMMMFR-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@H+]1CCNC[C@@H]1CN 39113707 166360373 /nfs/dbraw/zinc/36/03/73/166360373.db2.gz ZGCDWLGKYMMMFR-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)N1CCN(CCC[NH3+])CC1 42461314 166360908 /nfs/dbraw/zinc/36/09/08/166360908.db2.gz CLTUOOMYQGDONK-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CC(C)(C)NC[C@@H]1CC[NH2+]C1 62117049 166364651 /nfs/dbraw/zinc/36/46/51/166364651.db2.gz OWKXHJZXLBCDJP-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)(C)NC[C@H]1CC[NH2+]C1 62117050 166365127 /nfs/dbraw/zinc/36/51/27/166365127.db2.gz OWKXHJZXLBCDJP-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)(C)NCc1cn(CC[NH3+])nn1 38312105 166366378 /nfs/dbraw/zinc/36/63/78/166366378.db2.gz SAWFAXFFSHQLET-UHFFFAOYSA-N 1 3 197.286 0.125 10 0 ACAEHO C[C@@H]1OCC[C@@H]1NC1CC([NH3+])C1 133450457 343918909 /nfs/dbraw/zinc/91/89/09/343918909.db2.gz CGJDEFSQULAIDV-KRTGUUSXSA-N 1 3 170.256 0.243 10 0 ACAEHO CC(C)(C)[C@@](C)(N)C[NH3+] 72209847 166378626 /nfs/dbraw/zinc/37/86/26/166378626.db2.gz PDKAREXEIBOEDV-ZETCQYMHSA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C)(C)[C@](C)(N)C[NH3+] 72209846 166381845 /nfs/dbraw/zinc/38/18/45/166381845.db2.gz PDKAREXEIBOEDV-SSDOTTSWSA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C)(C[NH3+])CN1CCC[C@@H](O)C1 51257051 166393653 /nfs/dbraw/zinc/39/36/53/166393653.db2.gz QGYRSSMCDBGDJC-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@@H+]1CCC[C@@H](O)C1 51257051 166393656 /nfs/dbraw/zinc/39/36/56/166393656.db2.gz QGYRSSMCDBGDJC-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@H+]1CCC[C@@H](O)C1 51257051 166393658 /nfs/dbraw/zinc/39/36/58/166393658.db2.gz QGYRSSMCDBGDJC-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(C[NH3+])CN1CC[C@H](O)C1 61711825 166393851 /nfs/dbraw/zinc/39/38/51/166393851.db2.gz YPWOQFJLFQFMQB-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CN)C[N@@H+]1CC[C@H](O)C1 61711825 166393853 /nfs/dbraw/zinc/39/38/53/166393853.db2.gz YPWOQFJLFQFMQB-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CN)C[N@H+]1CC[C@H](O)C1 61711825 166393854 /nfs/dbraw/zinc/39/38/54/166393854.db2.gz YPWOQFJLFQFMQB-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(C[NH3+])CN1CC[C@@H](O)C1 61711826 166393859 /nfs/dbraw/zinc/39/38/59/166393859.db2.gz YPWOQFJLFQFMQB-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CN)C[N@@H+]1CC[C@@H](O)C1 61711826 166393861 /nfs/dbraw/zinc/39/38/61/166393861.db2.gz YPWOQFJLFQFMQB-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CN)C[N@H+]1CC[C@@H](O)C1 61711826 166393862 /nfs/dbraw/zinc/39/38/62/166393862.db2.gz YPWOQFJLFQFMQB-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CN)[N@@H+]1CCCOCC1 61916639 166393906 /nfs/dbraw/zinc/39/39/06/166393906.db2.gz DMQCCGWZCBWVCY-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)(CN)[N@H+]1CCCOCC1 61916639 166393907 /nfs/dbraw/zinc/39/39/07/166393907.db2.gz DMQCCGWZCBWVCY-UHFFFAOYSA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)(CN)C[NH2+]C[C@H]1CCOC1 90608609 166393994 /nfs/dbraw/zinc/39/39/94/166393994.db2.gz SRKXAFFZJNNYGZ-SECBINFHSA-N 1 3 186.299 0.597 10 0 ACAEHO CC(C)(CN)C[N@@H+]1CCC[C@@H]1CO 51254843 166394162 /nfs/dbraw/zinc/39/41/62/166394162.db2.gz FKYQEKOBCUZXQW-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@H+]1CCC[C@@H]1CO 51254843 166394164 /nfs/dbraw/zinc/39/41/64/166394164.db2.gz FKYQEKOBCUZXQW-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(C[NH3+])NC1CC1 26480910 166394182 /nfs/dbraw/zinc/39/41/82/166394182.db2.gz MXEANXMNTHZSMM-UHFFFAOYSA-N 1 3 128.219 0.476 10 0 ACAEHO CC(C)(CN)C[NH2+]C[C@@H]1CCOC1 90608607 166394290 /nfs/dbraw/zinc/39/42/90/166394290.db2.gz SRKXAFFZJNNYGZ-VIFPVBQESA-N 1 3 186.299 0.597 10 0 ACAEHO CC(C)(C[NH3+])CN1CCC[C@H](O)C1 51257049 166394349 /nfs/dbraw/zinc/39/43/49/166394349.db2.gz QGYRSSMCDBGDJC-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@@H+]1CCC[C@H](O)C1 51257049 166394352 /nfs/dbraw/zinc/39/43/52/166394352.db2.gz QGYRSSMCDBGDJC-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@H+]1CCC[C@H](O)C1 51257049 166394355 /nfs/dbraw/zinc/39/43/55/166394355.db2.gz QGYRSSMCDBGDJC-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[NH+]1CCC(O)CC1 51207180 166394392 /nfs/dbraw/zinc/39/43/92/166394392.db2.gz XANVPVOSNVTBNN-UHFFFAOYSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(C[NH3+])CN1CCCOCC1 61934566 166394517 /nfs/dbraw/zinc/39/45/17/166394517.db2.gz FZEBLJVHLPQDGF-UHFFFAOYSA-N 1 3 186.299 0.694 10 0 ACAEHO CC(C)(C[NH3+])CN(CCO)C1CC1 51284949 166394828 /nfs/dbraw/zinc/39/48/28/166394828.db2.gz WUYRYQFLSUJUIE-UHFFFAOYSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@H+](CCO)C1CC1 51284949 166394832 /nfs/dbraw/zinc/39/48/32/166394832.db2.gz WUYRYQFLSUJUIE-UHFFFAOYSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@@H+](CCO)C1CC1 51284949 166394833 /nfs/dbraw/zinc/39/48/33/166394833.db2.gz WUYRYQFLSUJUIE-UHFFFAOYSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@@H+]1CCC[C@H]1CO 51254844 166394994 /nfs/dbraw/zinc/39/49/94/166394994.db2.gz FKYQEKOBCUZXQW-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(CN)C[N@H+]1CCC[C@H]1CO 51254844 166394996 /nfs/dbraw/zinc/39/49/96/166394996.db2.gz FKYQEKOBCUZXQW-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)([NH3+])C(C)(C)CN 78725074 166399144 /nfs/dbraw/zinc/39/91/44/166399144.db2.gz YAOBMJQDUOPHEV-UHFFFAOYSA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C)([NH3+])CCN1CC[C@@H](O)C1 82399909 166401335 /nfs/dbraw/zinc/40/13/35/166401335.db2.gz ULGOFURVTLCKMU-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)CN1CCN(C2C[NH2+]C2)CC1 55079573 166464605 /nfs/dbraw/zinc/46/46/05/166464605.db2.gz GPLWTRJJVHEIKF-UHFFFAOYSA-N 1 3 197.326 0.232 10 0 ACAEHO CC(C)N1CCN([C@H](C)[C@@H](C)[NH3+])CC1 41053851 166520556 /nfs/dbraw/zinc/52/05/56/166520556.db2.gz PPIVCLSDJNCYMS-GHMZBOCLSA-N 1 3 199.342 0.748 10 0 ACAEHO CC1CC(NC[C@@H]2CC[NH2+]C2)C1 123532740 166743964 /nfs/dbraw/zinc/74/39/64/166743964.db2.gz VSNNXRQIXXAKCF-HWOCKDDLSA-N 1 3 168.284 0.984 10 0 ACAEHO CCCN[C@H]1CCC[NH2+]C1 43323608 167003709 /nfs/dbraw/zinc/00/37/09/167003709.db2.gz CBIBYLPZGDCTJB-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CCCN[C@]1(C[NH3+])CCSC1 50270389 167005857 /nfs/dbraw/zinc/00/58/57/167005857.db2.gz MJVTWMVPBYJYPU-QMMMGPOBSA-N 1 3 174.313 0.820 10 0 ACAEHO CCC[C@@H](C)[C@@H](N)C[NH3+] 44469258 167037482 /nfs/dbraw/zinc/03/74/82/167037482.db2.gz KVVXEZIAUVQWHH-RQJHMYQMSA-N 1 3 130.235 0.709 10 0 ACAEHO CCC[C@@H](C)[C@H](N)C[NH3+] 44469252 167039715 /nfs/dbraw/zinc/03/97/15/167039715.db2.gz KVVXEZIAUVQWHH-RNFRBKRXSA-N 1 3 130.235 0.709 10 0 ACAEHO CCC[C@@H](C[NH3+])N1CCCN(C)CC1 20217703 167042667 /nfs/dbraw/zinc/04/26/67/167042667.db2.gz JDSRVOUMQFMBFO-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCC[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 309133669 167043271 /nfs/dbraw/zinc/04/32/71/167043271.db2.gz RPBUVUHFDKFEPQ-DTWKUNHWSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 309133672 167043635 /nfs/dbraw/zinc/04/36/35/167043635.db2.gz RPBUVUHFDKFEPQ-RKDXNWHRSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@@H]([NH3+])CNC 40409158 167043987 /nfs/dbraw/zinc/04/39/87/167043987.db2.gz XTVLXGBMFJLCQY-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO CCC[C@@H]([NH3+])CNCC 40409344 167044591 /nfs/dbraw/zinc/04/45/91/167044591.db2.gz MXKSSOXEWRLPCN-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[C@@H]([NH3+])CNC1CC1 40408430 167044885 /nfs/dbraw/zinc/04/48/85/167044885.db2.gz CTYVAJWVASEPRH-SSDOTTSWSA-N 1 3 142.246 0.866 10 0 ACAEHO CCC[C@@](C)(C[NH3+])CN(C)CCO 51249635 167058712 /nfs/dbraw/zinc/05/87/12/167058712.db2.gz LVDKQBXVQVTFKG-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCC[C@@](C)(CN)C[N@H+](C)CCO 51249635 167058715 /nfs/dbraw/zinc/05/87/15/167058715.db2.gz LVDKQBXVQVTFKG-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCC[C@@](C)(CN)C[N@@H+](C)CCO 51249635 167058719 /nfs/dbraw/zinc/05/87/19/167058719.db2.gz LVDKQBXVQVTFKG-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCC[C@@](C)([NH3+])CNC 40409194 167059662 /nfs/dbraw/zinc/05/96/62/167059662.db2.gz APRBEMHEODHZMF-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[C@H](C)[C@@H](N)C[NH3+] 44469261 167072340 /nfs/dbraw/zinc/07/23/40/167072340.db2.gz KVVXEZIAUVQWHH-BQBZGAKWSA-N 1 3 130.235 0.709 10 0 ACAEHO CCC[C@H](C)[C@H](N)C[NH3+] 44469255 167072644 /nfs/dbraw/zinc/07/26/44/167072644.db2.gz KVVXEZIAUVQWHH-NKWVEPMBSA-N 1 3 130.235 0.709 10 0 ACAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 309133667 167078187 /nfs/dbraw/zinc/07/81/87/167078187.db2.gz RPBUVUHFDKFEPQ-BDAKNGLRSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 309133671 167078941 /nfs/dbraw/zinc/07/89/41/167078941.db2.gz RPBUVUHFDKFEPQ-IUCAKERBSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@H](C[NH3+])N1CCCN(C)CC1 20217704 167079903 /nfs/dbraw/zinc/07/99/03/167079903.db2.gz JDSRVOUMQFMBFO-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCC[C@H]([NH3+])CNCC 40409340 167081457 /nfs/dbraw/zinc/08/14/57/167081457.db2.gz MXKSSOXEWRLPCN-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[C@H]([NH3+])CNC1CC1 40408426 167083075 /nfs/dbraw/zinc/08/30/75/167083075.db2.gz CTYVAJWVASEPRH-ZETCQYMHSA-N 1 3 142.246 0.866 10 0 ACAEHO CCC[C@H]([NH3+])CNC 40409154 167083733 /nfs/dbraw/zinc/08/37/33/167083733.db2.gz XTVLXGBMFJLCQY-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO CCC[C@](C)(C[NH3+])CN(C)CCO 51249636 167093184 /nfs/dbraw/zinc/09/31/84/167093184.db2.gz LVDKQBXVQVTFKG-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CCC[C@](C)(CN)C[N@H+](C)CCO 51249636 167093186 /nfs/dbraw/zinc/09/31/86/167093186.db2.gz LVDKQBXVQVTFKG-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CCC[C@](C)(CN)C[N@@H+](C)CCO 51249636 167093189 /nfs/dbraw/zinc/09/31/89/167093189.db2.gz LVDKQBXVQVTFKG-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CCC[C@](C)([NH3+])CNC 40409190 167094867 /nfs/dbraw/zinc/09/48/67/167094867.db2.gz APRBEMHEODHZMF-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[n+]1ccc(CN)cc1 256027813 167096866 /nfs/dbraw/zinc/09/68/66/167096866.db2.gz DJOQCXICTZRDJL-UHFFFAOYSA-N 1 3 151.233 0.843 10 0 ACAEHO CCC[NH2+][C@H]1CCNC[C@@H]1C 73655288 167002846 /nfs/dbraw/zinc/00/28/46/167002846.db2.gz PAUNMBAXXJIWSQ-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CCC[NH2+][C@H]1CCNC[C@H]1C 73655293 167002853 /nfs/dbraw/zinc/00/28/53/167002853.db2.gz PAUNMBAXXJIWSQ-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CCN(C(C)C)[C@@]1(C[NH3+])CCN(C)C1 61990171 167129489 /nfs/dbraw/zinc/12/94/89/167129489.db2.gz QIPUFPCEQNCYHA-LLVKDONJSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](C(C)C)[C@H]1COCC[C@@H]1N 36305375 167130085 /nfs/dbraw/zinc/13/00/85/167130085.db2.gz UJEQKHMQNKZMNQ-UWVGGRQHSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[N@@H+](C(C)C)[C@H]1COCC[C@@H]1N 36305375 167130089 /nfs/dbraw/zinc/13/00/89/167130089.db2.gz UJEQKHMQNKZMNQ-UWVGGRQHSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[N@H+](C(C)C)[C@@H]1COCC[C@@H]1N 36305373 167130188 /nfs/dbraw/zinc/13/01/88/167130188.db2.gz UJEQKHMQNKZMNQ-VHSXEESVSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[N@@H+](C(C)C)[C@@H]1COCC[C@@H]1N 36305373 167130191 /nfs/dbraw/zinc/13/01/91/167130191.db2.gz UJEQKHMQNKZMNQ-VHSXEESVSA-N 1 3 186.299 0.833 10 0 ACAEHO CCN(C(C)C)[C@]1(C[NH3+])CCN(C)C1 61990170 167131826 /nfs/dbraw/zinc/13/18/26/167131826.db2.gz QIPUFPCEQNCYHA-NSHDSACASA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+](C)CC(C)(C)N 40925861 167138822 /nfs/dbraw/zinc/13/88/22/167138822.db2.gz WGBQMTRKPCBRGO-UHFFFAOYSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[N@@H+](C)CC(C)(C)N 40925861 167138825 /nfs/dbraw/zinc/13/88/25/167138825.db2.gz WGBQMTRKPCBRGO-UHFFFAOYSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[N@H+](C)C[C@@H](N)C(C)C 37079002 167139251 /nfs/dbraw/zinc/13/92/51/167139251.db2.gz YAGHUZRRZHELHT-MRVPVSSYSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[N@@H+](C)C[C@@H](N)C(C)C 37079002 167139252 /nfs/dbraw/zinc/13/92/52/167139252.db2.gz YAGHUZRRZHELHT-MRVPVSSYSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[N@H+](C)C1(CN)CCN(C)CC1 37078504 167139283 /nfs/dbraw/zinc/13/92/83/167139283.db2.gz DTNKNPKUPLZHHZ-UHFFFAOYSA-N 1 3 185.315 0.361 10 0 ACAEHO CC[N@@H+](C)C1(CN)CCN(C)CC1 37078504 167139285 /nfs/dbraw/zinc/13/92/85/167139285.db2.gz DTNKNPKUPLZHHZ-UHFFFAOYSA-N 1 3 185.315 0.361 10 0 ACAEHO CCN(C)C[C@@H](C)C(N)=[NH2+] 37078950 167140629 /nfs/dbraw/zinc/14/06/29/167140629.db2.gz LSTDUHKKZPHHKX-ZCFIWIBFSA-N 1 3 143.234 0.510 10 0 ACAEHO CCN(C)CCC[NH2+]C 2563415 167141371 /nfs/dbraw/zinc/14/13/71/167141371.db2.gz INNQDIQCMPWWNU-UHFFFAOYSA-N 1 3 130.235 0.548 10 0 ACAEHO CCN(C)CC[C@@H](C)[NH3+] 37078649 167141419 /nfs/dbraw/zinc/14/14/19/167141419.db2.gz UDHPIYXPNQMTGF-SSDOTTSWSA-N 1 3 130.235 0.675 10 0 ACAEHO CCN(C)CC[C@H](C)[NH3+] 37078650 167141701 /nfs/dbraw/zinc/14/17/01/167141701.db2.gz UDHPIYXPNQMTGF-ZETCQYMHSA-N 1 3 130.235 0.675 10 0 ACAEHO CCN(C)CC1(C[NH3+])CCOCC1 52181248 167142428 /nfs/dbraw/zinc/14/24/28/167142428.db2.gz ITDOUTPUKVKYRO-UHFFFAOYSA-N 1 3 186.299 0.694 10 0 ACAEHO CCN(C)C[C@H]1CCC[NH2+]C1 37079009 167144807 /nfs/dbraw/zinc/14/48/07/167144807.db2.gz HHWUFJGKPZYKPS-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@H+](C)C[C@H]1CCCNC1 37079009 167144808 /nfs/dbraw/zinc/14/48/08/167144808.db2.gz HHWUFJGKPZYKPS-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@@H+](C)C[C@H]1CCCNC1 37079009 167144810 /nfs/dbraw/zinc/14/48/10/167144810.db2.gz HHWUFJGKPZYKPS-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CCN(C)[C@@]1(CN)CC[N@@H+](C2CC2)C1 61990161 167145742 /nfs/dbraw/zinc/14/57/42/167145742.db2.gz QFASGFMXYISLIC-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@@]1(CN)CC[N@H+](C2CC2)C1 61990161 167145747 /nfs/dbraw/zinc/14/57/47/167145747.db2.gz QFASGFMXYISLIC-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@@]1(C[NH3+])CCN(C2CC2)C1 61990161 167145751 /nfs/dbraw/zinc/14/57/51/167145751.db2.gz QFASGFMXYISLIC-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@@H](C)CC(N)=[NH2+] 48249999 167145930 /nfs/dbraw/zinc/14/59/30/167145930.db2.gz KBDZQAFOENOQKX-LURJTMIESA-N 1 3 143.234 0.653 10 0 ACAEHO CC[N@H+](C)C[C@H](N)C(C)C 37079001 167146216 /nfs/dbraw/zinc/14/62/16/167146216.db2.gz YAGHUZRRZHELHT-QMMMGPOBSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[N@@H+](C)C[C@H](N)C(C)C 37079001 167146217 /nfs/dbraw/zinc/14/62/17/167146217.db2.gz YAGHUZRRZHELHT-QMMMGPOBSA-N 1 3 144.262 0.921 10 0 ACAEHO CCN(C)C[C@@H]1CCC[NH2+]C1 37079008 167146326 /nfs/dbraw/zinc/14/63/26/167146326.db2.gz HHWUFJGKPZYKPS-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@H+](C)C[C@@H]1CCCNC1 37079008 167146329 /nfs/dbraw/zinc/14/63/29/167146329.db2.gz HHWUFJGKPZYKPS-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@@H+](C)C[C@@H]1CCCNC1 37079008 167146331 /nfs/dbraw/zinc/14/63/31/167146331.db2.gz HHWUFJGKPZYKPS-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CCN(C)[C@@]1(C[NH3+])CN2CCC1CC2 37078474 167148107 /nfs/dbraw/zinc/14/81/07/167148107.db2.gz IGZMLUPIXZFHDG-NSHDSACASA-N 1 3 197.326 0.361 10 0 ACAEHO CCN(C)[C@]1(CN)CC[N@@H+](C2CC2)C1 61990160 167150866 /nfs/dbraw/zinc/15/08/66/167150866.db2.gz QFASGFMXYISLIC-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@]1(CN)CC[N@H+](C2CC2)C1 61990160 167150869 /nfs/dbraw/zinc/15/08/69/167150869.db2.gz QFASGFMXYISLIC-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@]1(C[NH3+])CCN(C2CC2)C1 61990160 167150871 /nfs/dbraw/zinc/15/08/71/167150871.db2.gz QFASGFMXYISLIC-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@]1(C[NH3+])CN2CCC1CC2 37078473 167151575 /nfs/dbraw/zinc/15/15/75/167151575.db2.gz IGZMLUPIXZFHDG-LLVKDONJSA-N 1 3 197.326 0.361 10 0 ACAEHO CCN(C1CC1)[C@]1(C[NH3+])CCN(C)C1 61990162 167152631 /nfs/dbraw/zinc/15/26/31/167152631.db2.gz RLPQOFIYBJDZRY-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C1CC1)[C@@]1(C[NH3+])CCN(C)C1 61990163 167155554 /nfs/dbraw/zinc/15/55/54/167155554.db2.gz RLPQOFIYBJDZRY-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[NH+](CC)C1(CN)CCN(C)CC1 19435367 167163142 /nfs/dbraw/zinc/16/31/42/167163142.db2.gz BSYNTQJPRRMREZ-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO CC[NH+](CC)CCn1cc(CN)nn1 50224557 167165502 /nfs/dbraw/zinc/16/55/02/167165502.db2.gz DYWPEIVTNNLFJQ-UHFFFAOYSA-N 1 3 197.286 0.079 10 0 ACAEHO CC[NH+](CC)C[C@@H](CN)N1CCCC1 76582690 167165508 /nfs/dbraw/zinc/16/55/08/167165508.db2.gz BJTLHIJUDVWBCA-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CC)C[C@@H](C[NH3+])N1CCCC1 76582690 167165510 /nfs/dbraw/zinc/16/55/10/167165510.db2.gz BJTLHIJUDVWBCA-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CC)CCN[C@H]1CCC[NH2+]C1 43324189 167165543 /nfs/dbraw/zinc/16/55/43/167165543.db2.gz ZVOBZKZVRLCPSQ-NSHDSACASA-N 1 3 199.342 0.670 10 0 ACAEHO CCN(CC)CCNC1CC[NH2+]CC1 38040569 167165633 /nfs/dbraw/zinc/16/56/33/167165633.db2.gz JDEQWXWFRQGQCE-UHFFFAOYSA-N 1 3 199.342 0.670 10 0 ACAEHO CCN(CC)CCSC(N)=[NH2+] 4429328 167166121 /nfs/dbraw/zinc/16/61/21/167166121.db2.gz KIPQFURXJLXUFT-UHFFFAOYSA-N 1 3 175.301 0.955 10 0 ACAEHO CCN(CC)CCC[NH2+]CCO 20052262 167166270 /nfs/dbraw/zinc/16/62/70/167166270.db2.gz PQUOWDLJHQUHLI-UHFFFAOYSA-N 1 3 174.288 0.300 10 0 ACAEHO CCN(CC)CCN[C@@H]1CCC[NH2+]C1 43324187 167167045 /nfs/dbraw/zinc/16/70/45/167167045.db2.gz ZVOBZKZVRLCPSQ-LLVKDONJSA-N 1 3 199.342 0.670 10 0 ACAEHO CCN(CC)CCC[NH2+]CCOC 20052156 167168214 /nfs/dbraw/zinc/16/82/14/167168214.db2.gz IOQNRZVBJPZIQE-UHFFFAOYSA-N 1 3 188.315 0.954 10 0 ACAEHO CC[NH+](CC)C[C@@H](C)CN 11804674 167168330 /nfs/dbraw/zinc/16/83/30/167168330.db2.gz WDCCROLLJZMYQF-QMMMGPOBSA-N 1 3 144.262 0.923 10 0 ACAEHO CCN(CC)C[C@@H](C)C[NH3+] 11804674 167168337 /nfs/dbraw/zinc/16/83/37/167168337.db2.gz WDCCROLLJZMYQF-QMMMGPOBSA-N 1 3 144.262 0.923 10 0 ACAEHO CCN(CC)C[C@]1(C[NH3+])CCOC1 51208549 167168947 /nfs/dbraw/zinc/16/89/47/167168947.db2.gz KSJUDXCKAGDCAS-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CCN(CC)C[C@@]1(C[NH3+])CCOC1 51208552 167171092 /nfs/dbraw/zinc/17/10/92/167171092.db2.gz KSJUDXCKAGDCAS-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO CC[NH+](CC)C[C@H](C)CN 11804675 167171507 /nfs/dbraw/zinc/17/15/07/167171507.db2.gz WDCCROLLJZMYQF-MRVPVSSYSA-N 1 3 144.262 0.923 10 0 ACAEHO CCN(CC)C[C@H](C)C[NH3+] 11804675 167171509 /nfs/dbraw/zinc/17/15/09/167171509.db2.gz WDCCROLLJZMYQF-MRVPVSSYSA-N 1 3 144.262 0.923 10 0 ACAEHO CC[NH+](CC)C[C@H](CN)N1CCCC1 76582692 167171678 /nfs/dbraw/zinc/17/16/78/167171678.db2.gz BJTLHIJUDVWBCA-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CC)C[C@H](C[NH3+])N1CCCC1 76582692 167171679 /nfs/dbraw/zinc/17/16/79/167171679.db2.gz BJTLHIJUDVWBCA-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CC[NH+](CC)[C@]1(CN)CCN(C)C1 61990000 167172935 /nfs/dbraw/zinc/17/29/35/167172935.db2.gz FFFLRCUMKQPFKA-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CC[NH+](CC)[C@@]1(CN)CCN(C)C1 61990001 167173209 /nfs/dbraw/zinc/17/32/09/167173209.db2.gz FFFLRCUMKQPFKA-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CC[NH+](CC)[C@H](CN)CN(C)C 76580397 167173396 /nfs/dbraw/zinc/17/33/96/167173396.db2.gz CHNQDUPZPGCGQE-SECBINFHSA-N 1 3 173.304 0.217 10 0 ACAEHO CCN(CC)[C@H](CN)C[NH+]1CCCC1 76582697 167175039 /nfs/dbraw/zinc/17/50/39/167175039.db2.gz REGFVLOTDFGSJM-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CC)[C@H](C[NH3+])CN1CCCC1 76582697 167175040 /nfs/dbraw/zinc/17/50/40/167175040.db2.gz REGFVLOTDFGSJM-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CCC[NH3+])CCn1cccn1 49313867 167178575 /nfs/dbraw/zinc/17/85/75/167178575.db2.gz RGEFGNANOVHZCR-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO CCN(CCC[NH3+])CCCCO 43445210 167178748 /nfs/dbraw/zinc/17/87/48/167178748.db2.gz JDHPBSQVADFFPR-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CC[N@H+](CCCN)CCCCO 43445210 167178752 /nfs/dbraw/zinc/17/87/52/167178752.db2.gz JDHPBSQVADFFPR-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CC[N@@H+](CCCN)CCCCO 43445210 167178753 /nfs/dbraw/zinc/17/87/53/167178753.db2.gz JDHPBSQVADFFPR-UHFFFAOYSA-N 1 3 174.288 0.430 10 0 ACAEHO CC[N@H+](CCCN)C[C@H]1CCOC1 41045962 167179546 /nfs/dbraw/zinc/17/95/46/167179546.db2.gz DRUBSLLGQQLFIN-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CC[N@@H+](CCCN)C[C@H]1CCOC1 41045962 167179548 /nfs/dbraw/zinc/17/95/48/167179548.db2.gz DRUBSLLGQQLFIN-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CCN(CCC[NH3+])C[C@H]1CCOC1 41045962 167179549 /nfs/dbraw/zinc/17/95/49/167179549.db2.gz DRUBSLLGQQLFIN-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CC[N@H+](CCCCO)C[C@H](C)CN 43445251 167180155 /nfs/dbraw/zinc/18/01/55/167180155.db2.gz ILZAYRZIMBJCKL-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CC[N@@H+](CCCCO)C[C@H](C)CN 43445251 167180159 /nfs/dbraw/zinc/18/01/59/167180159.db2.gz ILZAYRZIMBJCKL-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CCN(CCCCO)C[C@H](C)C[NH3+] 43445251 167180162 /nfs/dbraw/zinc/18/01/62/167180162.db2.gz ILZAYRZIMBJCKL-SNVBAGLBSA-N 1 3 188.315 0.676 10 0 ACAEHO CC[N@H+](CCCCO)C[C@@H](C)CN 43445250 167180227 /nfs/dbraw/zinc/18/02/27/167180227.db2.gz ILZAYRZIMBJCKL-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CC[N@@H+](CCCCO)C[C@@H](C)CN 43445250 167180230 /nfs/dbraw/zinc/18/02/30/167180230.db2.gz ILZAYRZIMBJCKL-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCN(CCCCO)C[C@@H](C)C[NH3+] 43445250 167180232 /nfs/dbraw/zinc/18/02/32/167180232.db2.gz ILZAYRZIMBJCKL-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO CCN(CCC[NH3+])[C@H](C)COC 42739937 167180644 /nfs/dbraw/zinc/18/06/44/167180644.db2.gz ACRDYZKWPXWFRC-SECBINFHSA-N 1 3 174.288 0.692 10 0 ACAEHO CCN(CCC(N)=[NH2+])CCN(C)C 42453053 167180837 /nfs/dbraw/zinc/18/08/37/167180837.db2.gz 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CC[N@@H+]1CCCNC[C@H](C)C1 49664808 167201616 /nfs/dbraw/zinc/20/16/16/167201616.db2.gz ZEOYKECTJGHRNA-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@H+]1CCCNC[C@H](C)C1 49664808 167201620 /nfs/dbraw/zinc/20/16/20/167201620.db2.gz ZEOYKECTJGHRNA-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CCN1CCC(NC(=[NH2+])NC)CC1 52020126 167201761 /nfs/dbraw/zinc/20/17/61/167201761.db2.gz KNCYVPFZXHYWFP-UHFFFAOYSA-N 1 3 184.287 0.214 10 0 ACAEHO CCN1CCC(N(C)C(=[NH2+])NC)CC1 52019027 167202355 /nfs/dbraw/zinc/20/23/55/167202355.db2.gz BUQLNAZJPXDCKJ-UHFFFAOYSA-N 1 3 198.314 0.557 10 0 ACAEHO CC[N@@H+]1CCCNCC12CCOCC2 169676581 167202984 /nfs/dbraw/zinc/20/29/84/167202984.db2.gz KYSJGDXODWYQHB-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CC[N@H+]1CCCNCC12CCOCC2 169676581 167202986 /nfs/dbraw/zinc/20/29/86/167202986.db2.gz KYSJGDXODWYQHB-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CCN1CCC[NH2+]CC12CCOCC2 169676581 167202987 /nfs/dbraw/zinc/20/29/87/167202987.db2.gz KYSJGDXODWYQHB-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CC[NH+]1CCC2(CC1)CNC[C@H](C)O2 28521489 167203541 /nfs/dbraw/zinc/20/35/41/167203541.db2.gz MWDQSVCEXRZLJU-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO CC[NH+]1CCC2(CC1)CNC[C@@H](C)O2 28521486 167204104 /nfs/dbraw/zinc/20/41/04/167204104.db2.gz MWDQSVCEXRZLJU-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO CCN1CCC[NH2+]C[C@@H](C)C1 49664810 167204322 /nfs/dbraw/zinc/20/43/22/167204322.db2.gz ZEOYKECTJGHRNA-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@@H+]1CCCNC[C@@H](C)C1 49664810 167204324 /nfs/dbraw/zinc/20/43/24/167204324.db2.gz ZEOYKECTJGHRNA-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CC[N@H+]1CCCNC[C@@H](C)C1 49664810 167204325 /nfs/dbraw/zinc/20/43/25/167204325.db2.gz ZEOYKECTJGHRNA-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CCN1CCN(C[C@@H](C)[NH3+])C[C@@H]1C 82477899 167210987 /nfs/dbraw/zinc/21/09/87/167210987.db2.gz FIUURXADFGEEPK-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1CCN(CCCC(N)=[NH2+])CC1 19512431 167211661 /nfs/dbraw/zinc/21/16/61/167211661.db2.gz TWHATKMCJKSFBE-UHFFFAOYSA-N 1 3 198.314 0.340 10 0 ACAEHO CCN1CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 71507585 167212016 /nfs/dbraw/zinc/21/20/16/167212016.db2.gz OBSLAZYRSQMYAS-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[N@@H+]1CCN[C@H](C)CC1 49661506 167212162 /nfs/dbraw/zinc/21/21/62/167212162.db2.gz XNDVEMYWMPMJKJ-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO CC[N@H+]1CCN[C@H](C)CC1 49661506 167212164 /nfs/dbraw/zinc/21/21/64/167212164.db2.gz XNDVEMYWMPMJKJ-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO CCN1CCN([C@@H](C)CC[NH3+])CC1 32007866 167212889 /nfs/dbraw/zinc/21/28/89/167212889.db2.gz DVZGDUXYWSCCCJ-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CCN1CCN(CC[C@@H](C)[NH2+]C)CC1 43805920 167212988 /nfs/dbraw/zinc/21/29/88/167212988.db2.gz OYTXYIAJJVAVKZ-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCN1CCN([C@@H]2CC[C@H]([NH3+])C2)CC1 71507583 167213175 /nfs/dbraw/zinc/21/31/75/167213175.db2.gz OBSLAZYRSQMYAS-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[N@@H+]1CCN[C@@H](C)CC1 49661505 167213508 /nfs/dbraw/zinc/21/35/08/167213508.db2.gz XNDVEMYWMPMJKJ-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO CC[N@H+]1CCN[C@@H](C)CC1 49661505 167213512 /nfs/dbraw/zinc/21/35/12/167213512.db2.gz XNDVEMYWMPMJKJ-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO CCN1CCN([C@H]2CC[C@@H]([NH3+])C2)CC1 71507586 167213579 /nfs/dbraw/zinc/21/35/79/167213579.db2.gz OBSLAZYRSQMYAS-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1CCN(CCC[C@H](C)[NH3+])CC1 45598563 167213653 /nfs/dbraw/zinc/21/36/53/167213653.db2.gz ATXDDWUWDOJQGS-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCN1CCN(CC[C@H](C)[NH2+]C)CC1 43805922 167213723 /nfs/dbraw/zinc/21/37/23/167213723.db2.gz OYTXYIAJJVAVKZ-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CCN1CCN([C@H]2CC[C@H]([NH3+])C2)CC1 71507584 167213985 /nfs/dbraw/zinc/21/39/85/167213985.db2.gz OBSLAZYRSQMYAS-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1CCN(CCC[C@@H](C)[NH3+])CC1 45598562 167214014 /nfs/dbraw/zinc/21/40/14/167214014.db2.gz ATXDDWUWDOJQGS-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CCN1CCN([C@@H](C)C[NH3+])C[C@@H]1C 82477466 167214147 /nfs/dbraw/zinc/21/41/47/167214147.db2.gz SBDSGGSZLXFWHX-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1CCN(C[C@@H](C)[NH2+]C)C[C@@H]1C 82477909 167214188 /nfs/dbraw/zinc/21/41/88/167214188.db2.gz XDXNAIIUMNALKT-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CCN1CCN([C@H](C)CC[NH3+])CC1 32007868 167214623 /nfs/dbraw/zinc/21/46/23/167214623.db2.gz DVZGDUXYWSCCCJ-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CCN1CCN(CC[NH2+]C(C)C)CC1 37477268 167215467 /nfs/dbraw/zinc/21/54/67/167215467.db2.gz PFRQXHCUVDKQGJ-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CCN1C[C@H](C)N(CC[NH3+])C[C@@H]1C 307422996 167227845 /nfs/dbraw/zinc/22/78/45/167227845.db2.gz NJEVPXRRVOCRFA-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1C[C@H](C)N(CC[NH3+])C[C@H]1C 307423001 167228172 /nfs/dbraw/zinc/22/81/72/167228172.db2.gz NJEVPXRRVOCRFA-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1C[C@@H](C)N(CC[NH3+])C[C@H]1C 307422992 167228179 /nfs/dbraw/zinc/22/81/79/167228179.db2.gz NJEVPXRRVOCRFA-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN1C[C@@H]2CC([NH3+])C[C@H](C1)N2C 39114406 167228458 /nfs/dbraw/zinc/22/84/58/167228458.db2.gz LTQJKRDRETXHFV-PBINXNQUSA-N 1 3 183.299 0.112 10 0 ACAEHO CCN1C[C@@H](C)N(CC[NH3+])C[C@@H]1C 307422998 167228964 /nfs/dbraw/zinc/22/89/64/167228964.db2.gz NJEVPXRRVOCRFA-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCNC(=[NH2+])N[C@@H](C)CN1CCCC1 52044623 167229921 /nfs/dbraw/zinc/22/99/21/167229921.db2.gz NYBKIFUVVJFFAF-VIFPVBQESA-N 1 3 198.314 0.605 10 0 ACAEHO CCNC(=[NH2+])N[C@H](C)CCN(C)C 52044688 167229955 /nfs/dbraw/zinc/22/99/55/167229955.db2.gz AJLBUMSUYJGFNS-MRVPVSSYSA-N 1 3 186.303 0.460 10 0 ACAEHO CCNC(=[NH2+])NC1CCN(C)CC1 52041627 167230075 /nfs/dbraw/zinc/23/00/75/167230075.db2.gz CQHXAFXWWPJXCQ-UHFFFAOYSA-N 1 3 184.287 0.214 10 0 ACAEHO CCNC(=[NH2+])N[C@@H](C)CCN(C)C 52044685 167230117 /nfs/dbraw/zinc/23/01/17/167230117.db2.gz AJLBUMSUYJGFNS-QMMMGPOBSA-N 1 3 186.303 0.460 10 0 ACAEHO CC[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 39630712 167230869 /nfs/dbraw/zinc/23/08/69/167230869.db2.gz OHRIKUCGBZJCND-CBLAIPOGSA-N 1 3 154.257 0.960 10 0 ACAEHO CC[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 39630712 167230872 /nfs/dbraw/zinc/23/08/72/167230872.db2.gz OHRIKUCGBZJCND-CBLAIPOGSA-N 1 3 154.257 0.960 10 0 ACAEHO CCNC(=[NH2+])N[C@H](C)CN1CCCC1 52044625 167231013 /nfs/dbraw/zinc/23/10/13/167231013.db2.gz NYBKIFUVVJFFAF-SECBINFHSA-N 1 3 198.314 0.605 10 0 ACAEHO CCNC(=[NH2+])NC[C@H]1CCCN1CC 52041377 167231153 /nfs/dbraw/zinc/23/11/53/167231153.db2.gz SVNQAZOGOIXJDA-SECBINFHSA-N 1 3 198.314 0.605 10 0 ACAEHO CCNC(=[NH2+])NC1CCN(CC)CC1 52042994 167231199 /nfs/dbraw/zinc/23/11/99/167231199.db2.gz KSMOGMZAWDHZIY-UHFFFAOYSA-N 1 3 198.314 0.605 10 0 ACAEHO CCNC(=[NH2+])NC[C@@H]1CCCN1CC 52041376 167231435 /nfs/dbraw/zinc/23/14/35/167231435.db2.gz SVNQAZOGOIXJDA-VIFPVBQESA-N 1 3 198.314 0.605 10 0 ACAEHO CCNC(=[NH2+])N1CCC(N(C)C)CC1 52038159 167232008 /nfs/dbraw/zinc/23/20/08/167232008.db2.gz CZTMLNATMKBSJM-UHFFFAOYSA-N 1 3 198.314 0.557 10 0 ACAEHO CCN1C(N)=[NH+]C[C@@]12CCCN(C)C2 134374880 343942021 /nfs/dbraw/zinc/94/20/21/343942021.db2.gz LTSUPZYWOTZZSC-SNVBAGLBSA-N 1 3 196.298 0.101 10 0 ACAEHO CCN1C(N)=[NH+]C[C@]12CCCN(C)C2 134374902 343942042 /nfs/dbraw/zinc/94/20/42/343942042.db2.gz LTSUPZYWOTZZSC-JTQLQIEISA-N 1 3 196.298 0.101 10 0 ACAEHO CCNC1C[C@@H]2CC[C@H](C1)[NH2+]2 34363568 167258471 /nfs/dbraw/zinc/25/84/71/167258471.db2.gz WVVQXGGZOVYDPG-JVHMLUBASA-N 1 3 154.257 0.879 10 0 ACAEHO CC[NH2+]C1(CN)CCN(C)CC1 50270259 167259613 /nfs/dbraw/zinc/25/96/13/167259613.db2.gz ARHCJCCVDYBQKG-UHFFFAOYSA-N 1 3 171.288 0.019 10 0 ACAEHO CC[NH2+]CC1(O)CCN(C)CC1 32006665 167261932 /nfs/dbraw/zinc/26/19/32/167261932.db2.gz BVAGIEIKOUJDJC-UHFFFAOYSA-N 1 3 172.272 0.053 10 0 ACAEHO CC[NH2+]CCCN1CCN(CC)CC1 42409319 167262304 /nfs/dbraw/zinc/26/23/04/167262304.db2.gz ADYRPTSBTAOQGU-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO CC[NH2+]CC(C)(C)CNC 75529724 167262347 /nfs/dbraw/zinc/26/23/47/167262347.db2.gz DFGKELVGSCLRSB-UHFFFAOYSA-N 1 3 144.262 0.842 10 0 ACAEHO CCNCC(C)(C)C[NH2+]C 75529724 167262349 /nfs/dbraw/zinc/26/23/49/167262349.db2.gz DFGKELVGSCLRSB-UHFFFAOYSA-N 1 3 144.262 0.842 10 0 ACAEHO CC[NH2+]CCCNC 43618950 167263034 /nfs/dbraw/zinc/26/30/34/167263034.db2.gz PVFDVUMXTHUUNU-UHFFFAOYSA-N 1 3 116.208 0.205 10 0 ACAEHO CCNCCC[NH2+]C 43618950 167263035 /nfs/dbraw/zinc/26/30/35/167263035.db2.gz PVFDVUMXTHUUNU-UHFFFAOYSA-N 1 3 116.208 0.205 10 0 ACAEHO CC[NH2+]CCCNC1CC1 40409367 167263120 /nfs/dbraw/zinc/26/31/20/167263120.db2.gz PCEXOOFXOGVOBL-UHFFFAOYSA-N 1 3 142.246 0.738 10 0 ACAEHO CC[NH2+]CCCN(CCO)C(C)C 42480602 167263360 /nfs/dbraw/zinc/26/33/60/167263360.db2.gz SMADLUDPPGJBIO-UHFFFAOYSA-N 1 3 188.315 0.689 10 0 ACAEHO CCNCC(C)(C)[NH2+]C 61319644 167263498 /nfs/dbraw/zinc/26/34/98/167263498.db2.gz OZPMFSLZWORMMH-UHFFFAOYSA-N 1 3 130.235 0.594 10 0 ACAEHO CCNCC[NH2+]C[C@H]1CCCO1 44651730 167264492 /nfs/dbraw/zinc/26/44/92/167264492.db2.gz UDVUALVRWJQVOX-SECBINFHSA-N 1 3 172.272 0.365 10 0 ACAEHO CC[NH2+]CCNCCN1CCCC1 49474905 167264529 /nfs/dbraw/zinc/26/45/29/167264529.db2.gz VPGLBABIZKTNSZ-UHFFFAOYSA-N 1 3 185.315 0.281 10 0 ACAEHO CC[NH2+]CCOCCN(C)C 51844398 167264549 /nfs/dbraw/zinc/26/45/49/167264549.db2.gz MFOMNGVBQNNPGZ-UHFFFAOYSA-N 1 3 160.261 0.174 10 0 ACAEHO CC[NH2+]CCN1CCCN(C)CC1 42302542 167264700 /nfs/dbraw/zinc/26/47/00/167264700.db2.gz VSCCTXSOPPUZNS-UHFFFAOYSA-N 1 3 185.315 0.233 10 0 ACAEHO CC[NH2+]CCNCCN1CCCCC1 49474766 167264774 /nfs/dbraw/zinc/26/47/74/167264774.db2.gz YUOCYLLZCODLQF-UHFFFAOYSA-N 1 3 199.342 0.671 10 0 ACAEHO CC[NH2+]CCN(C)C1CCN(C)CC1 44380333 167264898 /nfs/dbraw/zinc/26/48/98/167264898.db2.gz YDIDCJXXMWTITE-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CCNCC[NH2+]C[C@H]1CCCCO1 44651761 167265096 /nfs/dbraw/zinc/26/50/96/167265096.db2.gz SPGJKSZYNCVBGD-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO CCNCC[NH2+]C[C@@H]1CCCCO1 44651760 167265116 /nfs/dbraw/zinc/26/51/16/167265116.db2.gz SPGJKSZYNCVBGD-JTQLQIEISA-N 1 3 186.299 0.755 10 0 ACAEHO CC[NH2+]CCN1CCN(CC)CC1 39115086 167265126 /nfs/dbraw/zinc/26/51/26/167265126.db2.gz BGVVMQWSXXRPSZ-UHFFFAOYSA-N 1 3 185.315 0.233 10 0 ACAEHO CC[NH2+]CCN[C@H]1CCN(C2CC2)C1 44679492 167265145 /nfs/dbraw/zinc/26/51/45/167265145.db2.gz PFMDJIUMCUDSTL-JTQLQIEISA-N 1 3 197.326 0.422 10 0 ACAEHO CC[NH2+]CCN1CCN(C(C)C)CC1 44380901 167265240 /nfs/dbraw/zinc/26/52/40/167265240.db2.gz JIWHVXOGTMYOOJ-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CC[NH2+]CCN(C)CCN(C)C 45147332 167265699 /nfs/dbraw/zinc/26/56/99/167265699.db2.gz CCGYLUQDQPGJMO-UHFFFAOYSA-N 1 3 173.304 0.089 10 0 ACAEHO CCNCC[NH2+]C[C@@H]1CCCO1 44651729 167265896 /nfs/dbraw/zinc/26/58/96/167265896.db2.gz UDVUALVRWJQVOX-VIFPVBQESA-N 1 3 172.272 0.365 10 0 ACAEHO CC[NH2+]CCN(CC)CCN(C)C 42367608 167266641 /nfs/dbraw/zinc/26/66/41/167266641.db2.gz ALUYVXSYZBDFDC-UHFFFAOYSA-N 1 3 187.331 0.479 10 0 ACAEHO CC[NH2+]CCNCCCn1ccnc1 49478546 167266807 /nfs/dbraw/zinc/26/68/07/167266807.db2.gz ARAXFRAABFZIKG-UHFFFAOYSA-N 1 3 196.298 0.472 10 0 ACAEHO CCNCC[NH2+]CCCn1ccnc1 49478546 167266810 /nfs/dbraw/zinc/26/68/10/167266810.db2.gz ARAXFRAABFZIKG-UHFFFAOYSA-N 1 3 196.298 0.472 10 0 ACAEHO CC[NH2+]CCN[C@@H]1CCN(C2CC2)C1 44679491 167266902 /nfs/dbraw/zinc/26/69/02/167266902.db2.gz PFMDJIUMCUDSTL-SNVBAGLBSA-N 1 3 197.326 0.422 10 0 ACAEHO CCNCC[C@@H](C)[NH2+]CC 1850555 167267855 /nfs/dbraw/zinc/26/78/55/167267855.db2.gz XCFLRKJSDRTWON-MRVPVSSYSA-N 1 3 144.262 0.984 10 0 ACAEHO CCN[C@H](C)CC[NH2+]CC 1850555 167267856 /nfs/dbraw/zinc/26/78/56/167267856.db2.gz XCFLRKJSDRTWON-MRVPVSSYSA-N 1 3 144.262 0.984 10 0 ACAEHO CC[NH2+]CC[C@H](C)N 40409350 167268358 /nfs/dbraw/zinc/26/83/58/167268358.db2.gz ZVSKBEICYCVPKS-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO CCNC[C@@H]([NH3+])C(C)C 40409248 167268614 /nfs/dbraw/zinc/26/86/14/167268614.db2.gz SLYXZCWXDBXVIS-SSDOTTSWSA-N 1 3 130.235 0.579 10 0 ACAEHO CC[NH2+]C[C@@H](C)CN 54345812 167268653 /nfs/dbraw/zinc/26/86/53/167268653.db2.gz IRXCTWZYBZIMQH-LURJTMIESA-N 1 3 116.208 0.191 10 0 ACAEHO CC[NH2+]CC[C@@H](C)N 40409347 167269114 /nfs/dbraw/zinc/26/91/14/167269114.db2.gz ZVSKBEICYCVPKS-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO CCNC[C@@H]([NH3+])[C@@H](C)CC 40409259 167269120 /nfs/dbraw/zinc/26/91/20/167269120.db2.gz PJSVESKCCIJCRH-JGVFFNPUSA-N 1 3 144.262 0.969 10 0 ACAEHO CC[NH2+]CC[C@@H]1CN(CC)CCN1 75577014 167269618 /nfs/dbraw/zinc/26/96/18/167269618.db2.gz BMYFCBPNQRYHJO-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CC[NH2+]CC[C@H]1CN(CC)CCN1 75577015 167269781 /nfs/dbraw/zinc/26/97/81/167269781.db2.gz BMYFCBPNQRYHJO-JTQLQIEISA-N 1 3 185.315 0.280 10 0 ACAEHO CCNC[C@@H]([NH3+])[C@H](C)CC 40409255 167269986 /nfs/dbraw/zinc/26/99/86/167269986.db2.gz PJSVESKCCIJCRH-HTQZYQBOSA-N 1 3 144.262 0.969 10 0 ACAEHO CC[NH2+]C[C@@H](C)N1CCCN(C)CC1 52424079 167270209 /nfs/dbraw/zinc/27/02/09/167270209.db2.gz IHSJMPCRQCBRIW-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCNCC[C@H]1CCC[NH2+]1 42172308 167270354 /nfs/dbraw/zinc/27/03/54/167270354.db2.gz PVCRVTGZPBPFNT-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CCNCC[C@@H]1CCC[NH2+]1 42172306 167270470 /nfs/dbraw/zinc/27/04/70/167270470.db2.gz PVCRVTGZPBPFNT-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CCNCC[C@H](C)[NH2+]CC 1850556 167270487 /nfs/dbraw/zinc/27/04/87/167270487.db2.gz XCFLRKJSDRTWON-QMMMGPOBSA-N 1 3 144.262 0.984 10 0 ACAEHO CCN[C@@H](C)CC[NH2+]CC 1850556 167270489 /nfs/dbraw/zinc/27/04/89/167270489.db2.gz XCFLRKJSDRTWON-QMMMGPOBSA-N 1 3 144.262 0.984 10 0 ACAEHO CC[NH2+]C[C@H](C)CN 54345817 167270810 /nfs/dbraw/zinc/27/08/10/167270810.db2.gz IRXCTWZYBZIMQH-ZCFIWIBFSA-N 1 3 116.208 0.191 10 0 ACAEHO CCNC[C@H]([NH3+])C(C)C 40409244 167270954 /nfs/dbraw/zinc/27/09/54/167270954.db2.gz SLYXZCWXDBXVIS-ZETCQYMHSA-N 1 3 130.235 0.579 10 0 ACAEHO CC[NH2+]C[C@H](C)N1CCCN(C)CC1 52424080 167271019 /nfs/dbraw/zinc/27/10/19/167271019.db2.gz IHSJMPCRQCBRIW-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CCNC[C@@](C)([NH3+])C1CC1 40409358 167272090 /nfs/dbraw/zinc/27/20/90/167272090.db2.gz PTJRAQRGKFQNJZ-MRVPVSSYSA-N 1 3 142.246 0.723 10 0 ACAEHO CCNC[C@H]([NH3+])[C@@H](C)CC 40409267 167272609 /nfs/dbraw/zinc/27/26/09/167272609.db2.gz PJSVESKCCIJCRH-YUMQZZPRSA-N 1 3 144.262 0.969 10 0 ACAEHO CC[NH2+]C[C@@]1(F)CCNC1 39088268 167272651 /nfs/dbraw/zinc/27/26/51/167272651.db2.gz RPGZHAXZSJQDIL-ZETCQYMHSA-N 1 3 146.209 0.298 10 0 ACAEHO CCNC[C@H]([NH3+])[C@H](C)CC 40409263 167272673 /nfs/dbraw/zinc/27/26/73/167272673.db2.gz PJSVESKCCIJCRH-SFYZADRCSA-N 1 3 144.262 0.969 10 0 ACAEHO CCNC[C@](C)([NH3+])C1CC1 40409354 167274743 /nfs/dbraw/zinc/27/47/43/167274743.db2.gz PTJRAQRGKFQNJZ-QMMMGPOBSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[NH2+]C[C@]1(F)CCNC1 39088267 167275796 /nfs/dbraw/zinc/27/57/96/167275796.db2.gz RPGZHAXZSJQDIL-SSDOTTSWSA-N 1 3 146.209 0.298 10 0 ACAEHO CC[NH2+][C@@H](C)CCN 34752848 167282219 /nfs/dbraw/zinc/28/22/19/167282219.db2.gz IMBPNEGZDBFLBN-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO CC[NH2+][C@@H](C)CN1CCCN(C)CC1 43818389 167284267 /nfs/dbraw/zinc/28/42/67/167284267.db2.gz PKYSREQJDZVQRK-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO CC[NH2+][C@@H](CCO)[C@@H]1CCCNC1 95091396 167286109 /nfs/dbraw/zinc/28/61/09/167286109.db2.gz FQKNMALMPJIGJS-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO CCN[C@@H](CCO)[C@@H]1CCC[NH2+]C1 95091396 167286110 /nfs/dbraw/zinc/28/61/10/167286110.db2.gz FQKNMALMPJIGJS-ZJUUUORDSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[NH2+][C@@H](CCO)[C@H]1CCCNC1 95091398 167287101 /nfs/dbraw/zinc/28/71/01/167287101.db2.gz FQKNMALMPJIGJS-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO CCN[C@@H](CCO)[C@H]1CCC[NH2+]C1 95091398 167287104 /nfs/dbraw/zinc/28/71/04/167287104.db2.gz FQKNMALMPJIGJS-UWVGGRQHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[NH2+][C@@H]1CCNCC[C@H]1C 335048137 167289588 /nfs/dbraw/zinc/28/95/88/167289588.db2.gz BVRJEXKCLQWSQJ-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+][C@@H]1CCNCC[C@@H]1C 335048135 167289798 /nfs/dbraw/zinc/28/97/98/167289798.db2.gz BVRJEXKCLQWSQJ-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+][C@@H]1CCNC[C@@H]1C 73655271 167290614 /nfs/dbraw/zinc/29/06/14/167290614.db2.gz AXIBJJFOGYUHHJ-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[NH2+][C@@H]1CCNC[C@H]1C 73655278 167290693 /nfs/dbraw/zinc/29/06/93/167290693.db2.gz AXIBJJFOGYUHHJ-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[NH2+][C@@H]1CCN[C@H](C)C1 73657360 167291906 /nfs/dbraw/zinc/29/19/06/167291906.db2.gz QUIPBCOSAJCJGX-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO CCN[C@@H]1CC[NH2+][C@H](C)C1 73657360 167291909 /nfs/dbraw/zinc/29/19/09/167291909.db2.gz QUIPBCOSAJCJGX-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[NH2+][C@@H]1CCN[C@@H](C)C1 73657369 167292272 /nfs/dbraw/zinc/29/22/72/167292272.db2.gz QUIPBCOSAJCJGX-JGVFFNPUSA-N 1 3 142.246 0.736 10 0 ACAEHO CCN[C@@H]1CC[NH2+][C@@H](C)C1 73657369 167292274 /nfs/dbraw/zinc/29/22/74/167292274.db2.gz QUIPBCOSAJCJGX-JGVFFNPUSA-N 1 3 142.246 0.736 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCCSC1 61590290 167293375 /nfs/dbraw/zinc/29/33/75/167293375.db2.gz CUBODIKIYFFYDI-MRVPVSSYSA-N 1 3 174.313 0.820 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCSC1 50270056 167294353 /nfs/dbraw/zinc/29/43/53/167294353.db2.gz YARFZUDAJAEAHU-SSDOTTSWSA-N 1 3 160.286 0.430 10 0 ACAEHO CC[NH2+][C@H](C)CCN 34752849 167295863 /nfs/dbraw/zinc/29/58/63/167295863.db2.gz IMBPNEGZDBFLBN-ZCFIWIBFSA-N 1 3 116.208 0.333 10 0 ACAEHO CC[NH2+][C@H](C)CN1CCCN(C)CC1 43818391 167296096 /nfs/dbraw/zinc/29/60/96/167296096.db2.gz PKYSREQJDZVQRK-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO CCN[C@H](C)[C@@H]1CC[NH2+]C1 38415749 167296879 /nfs/dbraw/zinc/29/68/79/167296879.db2.gz YAXNZIHOGOMMCQ-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[NH2+][C@H](CCO)[C@H]1CCCNC1 95091399 167298785 /nfs/dbraw/zinc/29/87/85/167298785.db2.gz FQKNMALMPJIGJS-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO CCN[C@H](CCO)[C@H]1CCC[NH2+]C1 95091399 167298786 /nfs/dbraw/zinc/29/87/86/167298786.db2.gz FQKNMALMPJIGJS-VHSXEESVSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[NH2+][C@H](CCO)[C@@H]1CCCNC1 95091397 167299481 /nfs/dbraw/zinc/29/94/81/167299481.db2.gz FQKNMALMPJIGJS-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO CCN[C@H](CCO)[C@@H]1CCC[NH2+]C1 95091397 167299482 /nfs/dbraw/zinc/29/94/82/167299482.db2.gz FQKNMALMPJIGJS-NXEZZACHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC[NH2+][C@H]1CCNC[C@H]1C 73655280 167300429 /nfs/dbraw/zinc/30/04/29/167300429.db2.gz AXIBJJFOGYUHHJ-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[NH2+][C@H]1CCN[C@@H](C)C1 73657371 167301104 /nfs/dbraw/zinc/30/11/04/167301104.db2.gz QUIPBCOSAJCJGX-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO CCN[C@H]1CC[NH2+][C@@H](C)C1 73657371 167301107 /nfs/dbraw/zinc/30/11/07/167301107.db2.gz QUIPBCOSAJCJGX-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[NH2+][C@H]1CCNC[C@@H]1C 73655273 167301392 /nfs/dbraw/zinc/30/13/92/167301392.db2.gz AXIBJJFOGYUHHJ-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[NH2+][C@H]1CCNCC[C@@H]1C 335048136 167301548 /nfs/dbraw/zinc/30/15/48/167301548.db2.gz BVRJEXKCLQWSQJ-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+][C@H]1CCN[C@H](C)C1 73657364 167301949 /nfs/dbraw/zinc/30/19/49/167301949.db2.gz QUIPBCOSAJCJGX-SFYZADRCSA-N 1 3 142.246 0.736 10 0 ACAEHO CCN[C@H]1CC[NH2+][C@H](C)C1 73657364 167301954 /nfs/dbraw/zinc/30/19/54/167301954.db2.gz QUIPBCOSAJCJGX-SFYZADRCSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[NH2+][C@H]1CCNCC[C@H]1C 335048134 167302596 /nfs/dbraw/zinc/30/25/96/167302596.db2.gz BVRJEXKCLQWSQJ-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CCN[C@]1(C[NH3+])CCSC1 50270055 167305337 /nfs/dbraw/zinc/30/53/37/167305337.db2.gz YARFZUDAJAEAHU-ZETCQYMHSA-N 1 3 160.286 0.430 10 0 ACAEHO CCN[C@]1(C[NH3+])CCCSC1 61590289 167305632 /nfs/dbraw/zinc/30/56/32/167305632.db2.gz CUBODIKIYFFYDI-QMMMGPOBSA-N 1 3 174.313 0.820 10 0 ACAEHO CCOC1CCN(CCC(N)=[NH2+])CC1 40689520 167382899 /nfs/dbraw/zinc/38/28/99/167382899.db2.gz GGOPORTUQPQQJY-UHFFFAOYSA-N 1 3 199.298 0.813 10 0 ACAEHO CCOCCCN(C)C[C@H](C)C[NH3+] 49806338 167384848 /nfs/dbraw/zinc/38/48/48/167384848.db2.gz DEJPIUKUWHYEFQ-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCC[N@H+](C)C[C@H](C)CN 49806338 167384849 /nfs/dbraw/zinc/38/48/49/167384849.db2.gz DEJPIUKUWHYEFQ-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCC[N@@H+](C)C[C@H](C)CN 49806338 167384850 /nfs/dbraw/zinc/38/48/50/167384850.db2.gz DEJPIUKUWHYEFQ-SNVBAGLBSA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCC[NH2+]CCCN 41620041 167386105 /nfs/dbraw/zinc/38/61/05/167386105.db2.gz UWIQUJLVVLJDRP-UHFFFAOYSA-N 1 3 160.261 0.351 10 0 ACAEHO CCOCCC[NH2+]C1CCNCC1 38040600 167386433 /nfs/dbraw/zinc/38/64/33/167386433.db2.gz VPOLEXXWDAKMKY-UHFFFAOYSA-N 1 3 186.299 0.755 10 0 ACAEHO CCOCCCNC1CC[NH2+]CC1 38040600 167386436 /nfs/dbraw/zinc/38/64/36/167386436.db2.gz VPOLEXXWDAKMKY-UHFFFAOYSA-N 1 3 186.299 0.755 10 0 ACAEHO CCOCCCN(C)C[C@@H](C)C[NH3+] 49806337 167387012 /nfs/dbraw/zinc/38/70/12/167387012.db2.gz DEJPIUKUWHYEFQ-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCC[N@H+](C)C[C@@H](C)CN 49806337 167387015 /nfs/dbraw/zinc/38/70/15/167387015.db2.gz DEJPIUKUWHYEFQ-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCC[N@@H+](C)C[C@@H](C)CN 49806337 167387016 /nfs/dbraw/zinc/38/70/16/167387016.db2.gz DEJPIUKUWHYEFQ-JTQLQIEISA-N 1 3 188.315 0.940 10 0 ACAEHO CCOCCN[C@@H](C)CC[NH+](C)C 49557041 167388409 /nfs/dbraw/zinc/38/84/09/167388409.db2.gz USQAHSFPQJTSLT-JTQLQIEISA-N 1 3 188.315 0.953 10 0 ACAEHO CCOCC[N@H+](C)C(C)(C)CN 50090669 167389120 /nfs/dbraw/zinc/38/91/20/167389120.db2.gz HXZXKIQBVWWTCE-UHFFFAOYSA-N 1 3 174.288 0.692 10 0 ACAEHO CCOCC[N@@H+](C)C(C)(C)CN 50090669 167389122 /nfs/dbraw/zinc/38/91/22/167389122.db2.gz HXZXKIQBVWWTCE-UHFFFAOYSA-N 1 3 174.288 0.692 10 0 ACAEHO CCOCCN(C)C[C@H](C)C[NH3+] 42455885 167389637 /nfs/dbraw/zinc/38/96/37/167389637.db2.gz YKIPLCLDDRTJDP-SECBINFHSA-N 1 3 174.288 0.550 10 0 ACAEHO CCOCCN(C)C[C@@H](C)C[NH3+] 42455884 167389844 /nfs/dbraw/zinc/38/98/44/167389844.db2.gz YKIPLCLDDRTJDP-VIFPVBQESA-N 1 3 174.288 0.550 10 0 ACAEHO CCOCCN1[C@H]2CC[C@@H]1CC([NH3+])C2 41067061 167390584 /nfs/dbraw/zinc/39/05/84/167390584.db2.gz GNDQSRJXHOBXEJ-FGWVZKOKSA-N 1 3 198.310 0.977 10 0 ACAEHO CCOCCN[C@H](C)CC[NH+](C)C 49557042 167391171 /nfs/dbraw/zinc/39/11/71/167391171.db2.gz USQAHSFPQJTSLT-SNVBAGLBSA-N 1 3 188.315 0.953 10 0 ACAEHO CCOC[C@@H](C)NC1CC[NH2+]CC1 44691885 167393627 /nfs/dbraw/zinc/39/36/27/167393627.db2.gz WKWSTPQELFYSBR-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO CCOC[C@@H](C)[NH2+]C1CCNCC1 44691885 167393628 /nfs/dbraw/zinc/39/36/28/167393628.db2.gz WKWSTPQELFYSBR-SECBINFHSA-N 1 3 186.299 0.753 10 0 ACAEHO CCOC[C@H](C)NC1CC[NH2+]CC1 44691887 167397227 /nfs/dbraw/zinc/39/72/27/167397227.db2.gz WKWSTPQELFYSBR-VIFPVBQESA-N 1 3 186.299 0.753 10 0 ACAEHO CCOC[C@H](C)[NH2+]C1CCNCC1 44691887 167397231 /nfs/dbraw/zinc/39/72/31/167397231.db2.gz WKWSTPQELFYSBR-VIFPVBQESA-N 1 3 186.299 0.753 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@H+](C)C1CCNCC1 134700189 343948718 /nfs/dbraw/zinc/94/87/18/343948718.db2.gz ANJAAEPAYZRTPM-GXSJLCMTSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@@H+](C)C1CCNCC1 134700189 343948719 /nfs/dbraw/zinc/94/87/19/343948719.db2.gz ANJAAEPAYZRTPM-GXSJLCMTSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@H+](C)CC1(N)CC1 134707108 343948728 /nfs/dbraw/zinc/94/87/28/343948728.db2.gz YXPFDERXNMICBV-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@@H+](C)CC1(N)CC1 134707108 343948729 /nfs/dbraw/zinc/94/87/29/343948729.db2.gz YXPFDERXNMICBV-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO CC[C@@H](CO)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 90414509 167513905 /nfs/dbraw/zinc/51/39/05/167513905.db2.gz WVUBLOONEYFHJB-GKDVJIACSA-N 1 3 198.310 0.630 10 0 ACAEHO CC[C@@H]([NH3+])C(C)(C)N 34109928 167519913 /nfs/dbraw/zinc/51/99/13/167519913.db2.gz KMBLEIWOEVXHQI-RXMQYKEDSA-N 1 3 116.208 0.461 10 0 ACAEHO CC[C@H]([NH3+])CCN(C)C 82411072 167653876 /nfs/dbraw/zinc/65/38/76/167653876.db2.gz HUAYIEGFGBGCPQ-ZETCQYMHSA-N 1 3 130.235 0.675 10 0 ACAEHO C[C@@]1(CN)CCC[C@H]1[NH3+] 134951817 343951952 /nfs/dbraw/zinc/95/19/52/343951952.db2.gz KKVOJIDCQODZJF-RQJHMYQMSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@]1(CN)CCC[C@@H]1[NH3+] 134951779 343952032 /nfs/dbraw/zinc/95/20/32/343952032.db2.gz KKVOJIDCQODZJF-BQBZGAKWSA-N 1 3 128.219 0.463 10 0 ACAEHO CCn1ccnc1CNCCCC[NH3+] 51923546 167805811 /nfs/dbraw/zinc/80/58/11/167805811.db2.gz VSAUPNQMPWVZJW-UHFFFAOYSA-N 1 3 196.298 0.732 10 0 ACAEHO CN(C)CCN1CC[C@]2(CC[NH2+]C2)C1 31994464 167834444 /nfs/dbraw/zinc/83/44/44/167834444.db2.gz LKOWRBSNXZNCLQ-NSHDSACASA-N 1 3 197.326 0.233 10 0 ACAEHO CN(C)CCN1CCCC[C@H]1C[NH3+] 19843390 167834724 /nfs/dbraw/zinc/83/47/24/167834724.db2.gz FCYPEKKIXWPQSH-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CN(C)CCN1CCC[NH2+]C(C)(C)C1 62568537 167834860 /nfs/dbraw/zinc/83/48/60/167834860.db2.gz ZARQCMYLAGEYQM-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO CN(C)CCN1CC[NH2+]CC1(C)C 62567245 167835442 /nfs/dbraw/zinc/83/54/42/167835442.db2.gz SGMKJNHDJNNFCX-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO CN(C)C[C@@H]1CC[C@H](C[NH3+])O1 52422758 167841568 /nfs/dbraw/zinc/84/15/68/167841568.db2.gz CGIDJYJGTIYNLS-SFYZADRCSA-N 1 3 158.245 0.054 10 0 ACAEHO C[NH2+]CCN(C)[C@H]1CCCN(C)C1 53245062 167995594 /nfs/dbraw/zinc/99/55/94/167995594.db2.gz SXGUEWFIXQQHFA-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+]CCN1CCN(CC2CC2)CC1 42491049 167996058 /nfs/dbraw/zinc/99/60/58/167996058.db2.gz RTBBOONEQQQNKB-UHFFFAOYSA-N 1 3 197.326 0.233 10 0 ACAEHO C[NH2+]CC[C@H](C)N(C)C 52422706 168000137 /nfs/dbraw/zinc/00/01/37/168000137.db2.gz RPGOGWPIRHVNSS-ZETCQYMHSA-N 1 3 130.235 0.546 10 0 ACAEHO CNCC[C@@H]1CCCC[NH2+]1 39387138 168000715 /nfs/dbraw/zinc/00/07/15/168000715.db2.gz XGPIBNLOBVVDLO-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO C[NH2+]CC[C@@H]1CCCCN1 39387138 168000717 /nfs/dbraw/zinc/00/07/17/168000717.db2.gz XGPIBNLOBVVDLO-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CNCC[C@H]1CCCC[NH2+]1 39387139 168000795 /nfs/dbraw/zinc/00/07/95/168000795.db2.gz XGPIBNLOBVVDLO-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO C[NH2+]CC[C@H]1CCCCN1 39387139 168000798 /nfs/dbraw/zinc/00/07/98/168000798.db2.gz XGPIBNLOBVVDLO-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO C[NH2+]CC[C@@H](C)N1CCCN(C)CC1 52424205 168000826 /nfs/dbraw/zinc/00/08/26/168000826.db2.gz NMLQBBIJZHGHDN-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+]CCc1nc(CN)cs1 83340084 168000991 /nfs/dbraw/zinc/00/09/91/168000991.db2.gz PAEIAJWWPQJUGE-UHFFFAOYSA-N 1 3 171.269 0.364 10 0 ACAEHO C[NH2+]C[C@@H](C)N1CCCN(C)CC1 52424077 168002930 /nfs/dbraw/zinc/00/29/30/168002930.db2.gz RKYXLOMRTSAVTF-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+]C[C@@H](C)CN1CCCN(C)CC1 52424130 168003208 /nfs/dbraw/zinc/00/32/08/168003208.db2.gz BSYIVVIPWIJSIZ-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO C[NH2+]C[C@@H](C)CN(C)C 52422637 168003250 /nfs/dbraw/zinc/00/32/50/168003250.db2.gz VHEFPESCADVFOX-SSDOTTSWSA-N 1 3 130.235 0.404 10 0 ACAEHO C[NH2+]C[C@@H](C)N(C)[C@@H]1CCCN(C)C1 53249914 168003685 /nfs/dbraw/zinc/00/36/85/168003685.db2.gz FEBGQNONFYUDFV-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@@H](C)OC1CCN(C)CC1 52596488 168003718 /nfs/dbraw/zinc/00/37/18/168003718.db2.gz BXLXKIFKTBKEPK-SECBINFHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[NH2+]C[C@@H](C)N1CCN(C(C)C)CC1 52479972 168004105 /nfs/dbraw/zinc/00/41/05/168004105.db2.gz MUUMDFJYYVKADW-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@@H](C)N(C)C1CCN(C)CC1 52419765 168004170 /nfs/dbraw/zinc/00/41/70/168004170.db2.gz DWTTWZBWJDISDA-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO CNC[C@@H](O)C[N@@H+]1CCC[C@@H]1C 37910510 168004602 /nfs/dbraw/zinc/00/46/02/168004602.db2.gz TXQTYBGWDIOPLX-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@@H](O)C[N@H+]1CCC[C@@H]1C 37910510 168004604 /nfs/dbraw/zinc/00/46/04/168004604.db2.gz TXQTYBGWDIOPLX-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCC[C@@H]1C 37910510 168004605 /nfs/dbraw/zinc/00/46/05/168004605.db2.gz TXQTYBGWDIOPLX-DTWKUNHWSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@@H](C[NH3+])c1ccccc1 39375630 168004947 /nfs/dbraw/zinc/00/49/47/168004947.db2.gz HGFDJZGACVPAIX-SNVBAGLBSA-N 1 3 164.252 0.948 10 0 ACAEHO CNC[C@@H](O)C[N@@H+]1CCC[C@H]1C 37910509 168005179 /nfs/dbraw/zinc/00/51/79/168005179.db2.gz TXQTYBGWDIOPLX-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@@H](O)C[N@H+]1CCC[C@H]1C 37910509 168005180 /nfs/dbraw/zinc/00/51/80/168005180.db2.gz TXQTYBGWDIOPLX-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCC[C@H]1C 37910509 168005181 /nfs/dbraw/zinc/00/51/81/168005181.db2.gz TXQTYBGWDIOPLX-RKDXNWHRSA-N 1 3 172.272 0.051 10 0 ACAEHO CNC[C@@H](O)C[N@H+](C)CCC(C)C 42456789 168005253 /nfs/dbraw/zinc/00/52/53/168005253.db2.gz CVYDEGCYKUYZSA-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO CNC[C@@H](O)C[N@@H+](C)CCC(C)C 42456789 168005254 /nfs/dbraw/zinc/00/52/54/168005254.db2.gz CVYDEGCYKUYZSA-SNVBAGLBSA-N 1 3 188.315 0.545 10 0 ACAEHO CNC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 19685180 168005373 /nfs/dbraw/zinc/00/53/73/168005373.db2.gz KEXJRIODOMAVJI-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 19685180 168005375 /nfs/dbraw/zinc/00/53/75/168005375.db2.gz KEXJRIODOMAVJI-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCC[C@@H](C)C1 19685180 168005378 /nfs/dbraw/zinc/00/53/78/168005378.db2.gz KEXJRIODOMAVJI-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCCCCC1 19685150 168005745 /nfs/dbraw/zinc/00/57/45/168005745.db2.gz SXHMMGLZPXGQAP-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO C[NH2+]C[C@@H](C)OCCN(C)C 51842677 168005798 /nfs/dbraw/zinc/00/57/98/168005798.db2.gz ZCOZPMGVGXITIM-MRVPVSSYSA-N 1 3 160.261 0.173 10 0 ACAEHO CNC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C 19685178 168005863 /nfs/dbraw/zinc/00/58/63/168005863.db2.gz ZWWADGODAQZCMW-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@@H](O)C[N@H+]1CCCC[C@@H]1C 19685178 168005865 /nfs/dbraw/zinc/00/58/65/168005865.db2.gz ZWWADGODAQZCMW-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCCC[C@@H]1C 19685178 168005866 /nfs/dbraw/zinc/00/58/66/168005866.db2.gz ZWWADGODAQZCMW-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@@H](O)C[N@@H+]1CCCC[C@H]1C 35240303 168005993 /nfs/dbraw/zinc/00/59/93/168005993.db2.gz ZWWADGODAQZCMW-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@@H](O)C[N@H+]1CCCC[C@H]1C 35240303 168005994 /nfs/dbraw/zinc/00/59/94/168005994.db2.gz ZWWADGODAQZCMW-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1CCCC[C@H]1C 35240303 168005998 /nfs/dbraw/zinc/00/59/98/168005998.db2.gz ZWWADGODAQZCMW-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]C[C@@H]1CCCN1CCN(C)C 42390385 168006820 /nfs/dbraw/zinc/00/68/20/168006820.db2.gz BTTHQOSHVOQNDY-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+]C[C@@H]1CCCN(CCN(C)C)C1 40601223 168006986 /nfs/dbraw/zinc/00/69/86/168006986.db2.gz XVJPRIOUEVWFIF-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(C2CC2)C1 11891829 168007148 /nfs/dbraw/zinc/00/71/48/168007148.db2.gz ZFXUJBYMUGHJQP-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCN(C)C2)C1 53031646 168007842 /nfs/dbraw/zinc/00/78/42/168007842.db2.gz HPHPFBKGQJFPED-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H](CN(C)C)O1 52422828 168007970 /nfs/dbraw/zinc/00/79/70/168007970.db2.gz UFDYWLCXPWXRGH-IUCAKERBSA-N 1 3 172.272 0.315 10 0 ACAEHO CNC[C@@H]1CC[N@@H+](C2CCOCC2)C1 53031282 168008209 /nfs/dbraw/zinc/00/82/09/168008209.db2.gz RXQHITGFWYDRHL-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO CNC[C@@H]1CC[N@H+](C2CCOCC2)C1 53031282 168008211 /nfs/dbraw/zinc/00/82/11/168008211.db2.gz RXQHITGFWYDRHL-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH2+]C[C@@H]1CCN(C2CCOCC2)C1 53031282 168008213 /nfs/dbraw/zinc/00/82/13/168008213.db2.gz RXQHITGFWYDRHL-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H](CN(C)C)O1 52422825 168008276 /nfs/dbraw/zinc/00/82/76/168008276.db2.gz UFDYWLCXPWXRGH-DTWKUNHWSA-N 1 3 172.272 0.315 10 0 ACAEHO C[NH2+]C[C@@H]1CCCCN1CCN(C)C 42407833 168008385 /nfs/dbraw/zinc/00/83/85/168008385.db2.gz DSERIVCFJOTFDE-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+]C[C@H](C)CN1CCCN(C)CC1 52424128 168008731 /nfs/dbraw/zinc/00/87/31/168008731.db2.gz BSYIVVIPWIJSIZ-NSHDSACASA-N 1 3 199.342 0.479 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCCN(C)CC1 52424075 168009126 /nfs/dbraw/zinc/00/91/26/168009126.db2.gz RKYXLOMRTSAVTF-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+]C[C@H](C)N(C)[C@@H]1CCCN(C)C1 53249911 168009210 /nfs/dbraw/zinc/00/92/10/168009210.db2.gz FEBGQNONFYUDFV-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@H](C)N(C)C1CCN(C)CC1 52419764 168009250 /nfs/dbraw/zinc/00/92/50/168009250.db2.gz DWTTWZBWJDISDA-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CNC[C@@](C)([NH3+])C1CC1 40409167 168009343 /nfs/dbraw/zinc/00/93/43/168009343.db2.gz ZTTFYVYZMQQJCE-SSDOTTSWSA-N 1 3 128.219 0.333 10 0 ACAEHO C[NH2+]C[C@@]1(CN2CCCC2)CCOC1 51208148 168009846 /nfs/dbraw/zinc/00/98/46/168009846.db2.gz VITQUFJEAIXSBD-LLVKDONJSA-N 1 3 198.310 0.708 10 0 ACAEHO CNC[C@@]1(C[NH+]2CCCC2)CCOC1 51208148 168009847 /nfs/dbraw/zinc/00/98/47/168009847.db2.gz VITQUFJEAIXSBD-LLVKDONJSA-N 1 3 198.310 0.708 10 0 ACAEHO C[NH2+]C[C@H](C)CN(C)C 52422636 168010099 /nfs/dbraw/zinc/01/00/99/168010099.db2.gz VHEFPESCADVFOX-ZETCQYMHSA-N 1 3 130.235 0.404 10 0 ACAEHO CNC[C@H](O)C[N@@H+]1CCCC[C@H]1C 242750717 168010467 /nfs/dbraw/zinc/01/04/67/168010467.db2.gz ZWWADGODAQZCMW-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@H](O)C[N@H+]1CCCC[C@H]1C 242750717 168010470 /nfs/dbraw/zinc/01/04/70/168010470.db2.gz ZWWADGODAQZCMW-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]C[C@H](O)CN1CCCC[C@H]1C 242750717 168010471 /nfs/dbraw/zinc/01/04/71/168010471.db2.gz ZWWADGODAQZCMW-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 19685181 168010816 /nfs/dbraw/zinc/01/08/16/168010816.db2.gz KEXJRIODOMAVJI-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@H](O)C[N@H+]1CCC[C@@H](C)C1 19685181 168010817 /nfs/dbraw/zinc/01/08/17/168010817.db2.gz KEXJRIODOMAVJI-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@H](O)CN1CCC[C@@H](C)C1 19685181 168010819 /nfs/dbraw/zinc/01/08/19/168010819.db2.gz KEXJRIODOMAVJI-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@H](O)CN1CCCCCC1 19685151 168011189 /nfs/dbraw/zinc/01/11/89/168011189.db2.gz SXHMMGLZPXGQAP-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CNC[C@H](O)C[N@H+](C)CCC(C)C 42456791 168011301 /nfs/dbraw/zinc/01/13/01/168011301.db2.gz CVYDEGCYKUYZSA-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO CNC[C@H](O)C[N@@H+](C)CCC(C)C 42456791 168011303 /nfs/dbraw/zinc/01/13/03/168011303.db2.gz CVYDEGCYKUYZSA-JTQLQIEISA-N 1 3 188.315 0.545 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCN(C(C)C)CC1 52479971 168011407 /nfs/dbraw/zinc/01/14/07/168011407.db2.gz MUUMDFJYYVKADW-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+]C[C@H](C)OCCN(C)C 51842675 168011438 /nfs/dbraw/zinc/01/14/38/168011438.db2.gz ZCOZPMGVGXITIM-QMMMGPOBSA-N 1 3 160.261 0.173 10 0 ACAEHO C[NH2+]C[C@H](C)OC1CCN(C)CC1 52596486 168011457 /nfs/dbraw/zinc/01/14/57/168011457.db2.gz BXLXKIFKTBKEPK-VIFPVBQESA-N 1 3 186.299 0.705 10 0 ACAEHO CNC[C@H](O)C[N@@H+]1CCCC[C@@H]1C 19685179 168011471 /nfs/dbraw/zinc/01/14/71/168011471.db2.gz ZWWADGODAQZCMW-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@H](O)C[N@H+]1CCCC[C@@H]1C 19685179 168011472 /nfs/dbraw/zinc/01/14/72/168011472.db2.gz ZWWADGODAQZCMW-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[NH2+]C[C@H](O)CN1CCCC[C@@H]1C 19685179 168011473 /nfs/dbraw/zinc/01/14/73/168011473.db2.gz ZWWADGODAQZCMW-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC[C@H](C[NH3+])c1ccccc1 39375631 168011564 /nfs/dbraw/zinc/01/15/64/168011564.db2.gz HGFDJZGACVPAIX-JTQLQIEISA-N 1 3 164.252 0.948 10 0 ACAEHO C[NH2+]C[C@H]1CCCCN1CCN(C)C 42407834 168012066 /nfs/dbraw/zinc/01/20/66/168012066.db2.gz DSERIVCFJOTFDE-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+]C[C@H]1CCCN(CCN(C)C)C1 40601225 168012379 /nfs/dbraw/zinc/01/23/79/168012379.db2.gz XVJPRIOUEVWFIF-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO C[NH2+]C[C@H]1CCCN1CCN(C)C 42390389 168012895 /nfs/dbraw/zinc/01/28/95/168012895.db2.gz BTTHQOSHVOQNDY-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+]C[C@]1(CN2CCCC2)CCOC1 51208145 168013804 /nfs/dbraw/zinc/01/38/04/168013804.db2.gz VITQUFJEAIXSBD-NSHDSACASA-N 1 3 198.310 0.708 10 0 ACAEHO CNC[C@]1(C[NH+]2CCCC2)CCOC1 51208145 168013805 /nfs/dbraw/zinc/01/38/05/168013805.db2.gz VITQUFJEAIXSBD-NSHDSACASA-N 1 3 198.310 0.708 10 0 ACAEHO CNC[C@](C)([NH3+])C1CC1 40409171 168013834 /nfs/dbraw/zinc/01/38/34/168013834.db2.gz ZTTFYVYZMQQJCE-ZETCQYMHSA-N 1 3 128.219 0.333 10 0 ACAEHO CNC[C@H]1CC[N@@H+](C2CCOCC2)C1 53031283 168013927 /nfs/dbraw/zinc/01/39/27/168013927.db2.gz RXQHITGFWYDRHL-SNVBAGLBSA-N 1 3 198.310 0.707 10 0 ACAEHO CNC[C@H]1CC[N@H+](C2CCOCC2)C1 53031283 168013929 /nfs/dbraw/zinc/01/39/29/168013929.db2.gz RXQHITGFWYDRHL-SNVBAGLBSA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C2CCOCC2)C1 53031283 168013931 /nfs/dbraw/zinc/01/39/31/168013931.db2.gz RXQHITGFWYDRHL-SNVBAGLBSA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH2+]C[C@H]1CCN(C2CC2)C1 11891833 168014451 /nfs/dbraw/zinc/01/44/51/168014451.db2.gz ZFXUJBYMUGHJQP-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCN(C)C2)C1 53031647 168014475 /nfs/dbraw/zinc/01/44/75/168014475.db2.gz HPHPFBKGQJFPED-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@H](CN(C)C)O1 52422827 168014477 /nfs/dbraw/zinc/01/44/77/168014477.db2.gz UFDYWLCXPWXRGH-RKDXNWHRSA-N 1 3 172.272 0.315 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@@H](CN(C)C)O1 52422829 168014573 /nfs/dbraw/zinc/01/45/73/168014573.db2.gz UFDYWLCXPWXRGH-BDAKNGLRSA-N 1 3 172.272 0.315 10 0 ACAEHO C[NH2+]Cc1cnc(CCN(C)C)s1 62201733 168019484 /nfs/dbraw/zinc/01/94/84/168019484.db2.gz WYVIJIFJVRZQKD-UHFFFAOYSA-N 1 3 199.323 0.967 10 0 ACAEHO CNCc1nc(CC[NH3+])cs1 83340082 168022113 /nfs/dbraw/zinc/02/21/13/168022113.db2.gz RYNVQTLMVUMDOF-UHFFFAOYSA-N 1 3 171.269 0.364 10 0 ACAEHO C[NH2+][C@@H](C)CCCN1CCN(C)CC1 45598658 168030494 /nfs/dbraw/zinc/03/04/94/168030494.db2.gz XRMZUGOJRCVPBX-NSHDSACASA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+][C@@H](C)[C@@H](C)N1CCCN(C)CC1 43818288 168031760 /nfs/dbraw/zinc/03/17/60/168031760.db2.gz BGYGMBFKDVIQDI-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCN(C(C)C)CC1 43896946 168031777 /nfs/dbraw/zinc/03/17/77/168031777.db2.gz LHUXGFLOZRFUAG-NSHDSACASA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@@H](C)CN(C)[C@@H]1CCCN(C)C1 53244861 168031787 /nfs/dbraw/zinc/03/17/87/168031787.db2.gz QOSPVQYCKFDLQE-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@H](C)C[C@H](C)[NH2+]C 33802890 168032116 /nfs/dbraw/zinc/03/21/16/168032116.db2.gz DVNSRGIPZPKUSM-KNVOCYPGSA-N 1 3 130.235 0.592 10 0 ACAEHO CN[C@@H](C)C[C@@H](C)[NH2+]C 33802890 168032118 /nfs/dbraw/zinc/03/21/18/168032118.db2.gz DVNSRGIPZPKUSM-KNVOCYPGSA-N 1 3 130.235 0.592 10 0 ACAEHO C[NH2+][C@@H](C)CN(C)C1CCN(C)CC1 44471670 168032401 /nfs/dbraw/zinc/03/24/01/168032401.db2.gz NUGCBZYGZIWVDK-JTQLQIEISA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@@H](C)[C@@H]1CC[NH2+]C1 34499019 168032469 /nfs/dbraw/zinc/03/24/69/168032469.db2.gz GBVBYEVLALCXBL-NKWVEPMBSA-N 1 3 128.219 0.204 10 0 ACAEHO CN[C@@H](C)C[C@H](C)[NH2+]C 33802892 168032635 /nfs/dbraw/zinc/03/26/35/168032635.db2.gz DVNSRGIPZPKUSM-BQBZGAKWSA-N 1 3 130.235 0.592 10 0 ACAEHO C[NH2+][C@@H](C)[C@@H]1CCCN(C)C1 37208424 168033013 /nfs/dbraw/zinc/03/30/13/168033013.db2.gz HZGSPFKGFNFZES-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+][C@@H](C)CN1CCCN(C)CC1 43818130 168033123 /nfs/dbraw/zinc/03/31/23/168033123.db2.gz KHFJXTRKFNGRIV-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO CN[C@@H](C)[C@H]1CC[NH2+]C1 34499023 168033920 /nfs/dbraw/zinc/03/39/20/168033920.db2.gz GBVBYEVLALCXBL-BQBZGAKWSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+][C@@H](C)[C@H]1CCCN(C)C1 37208426 168034531 /nfs/dbraw/zinc/03/45/31/168034531.db2.gz HZGSPFKGFNFZES-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CN[C@@H](C)c1nc(C[NH3+])cs1 83340083 168035364 /nfs/dbraw/zinc/03/53/64/168035364.db2.gz CZHIWRKLLICXTI-YFKPBYRVSA-N 1 3 171.269 0.882 10 0 ACAEHO C[NH2+][C@@H](C)[C@H](C)N1CCCN(C)CC1 43818292 168035701 /nfs/dbraw/zinc/03/57/01/168035701.db2.gz BGYGMBFKDVIQDI-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@H]1CN(C)C 53864639 168040373 /nfs/dbraw/zinc/04/03/73/168040373.db2.gz YHTTWWCKUWQQJI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@@H]1CN(C)C 53864635 168040610 /nfs/dbraw/zinc/04/06/10/168040610.db2.gz YHTTWWCKUWQQJI-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+][C@@H]1CCCN(CCN(C)C)C1 53203862 168040670 /nfs/dbraw/zinc/04/06/70/168040670.db2.gz DJQWXMGWZWKSCQ-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@@H]1CCCN(C)CC1 76575700 168040697 /nfs/dbraw/zinc/04/06/97/168040697.db2.gz QOIPDKIRDZCJER-MRVPVSSYSA-N 1 3 142.246 0.690 10 0 ACAEHO C[NH2+][C@@H]1CCCN([C@@H]2CCN(C)C2)C1 61991764 168041184 /nfs/dbraw/zinc/04/11/84/168041184.db2.gz FCGRHSPJNVPKCC-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CN[C@@H]1CCC[C@@H]([NH2+]C)C1 39365146 168041894 /nfs/dbraw/zinc/04/18/94/168041894.db2.gz YDFDTKKXMZRNHR-HTQZYQBOSA-N 1 3 142.246 0.736 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@@H](N)C1 78724958 168042125 /nfs/dbraw/zinc/04/21/25/168042125.db2.gz VSZFBKJHIUYKMK-RNFRBKRXSA-N 1 3 128.219 0.476 10 0 ACAEHO CN[C@@H]1[C@@H](C)CC(N)=[NH+][C@@H]1C 39090779 168042211 /nfs/dbraw/zinc/04/22/11/168042211.db2.gz WBRIUVYZMGNLCZ-SHYZEUOFSA-N 1 3 155.245 0.360 10 0 ACAEHO CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 49565367 168042247 /nfs/dbraw/zinc/04/22/47/168042247.db2.gz NUKKKIHAQBMIBG-RKDXNWHRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@@H]1CC[N@H+]2CCCC[C@H]12 49565367 168042248 /nfs/dbraw/zinc/04/22/48/168042248.db2.gz NUKKKIHAQBMIBG-RKDXNWHRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 24056325 168042494 /nfs/dbraw/zinc/04/24/94/168042494.db2.gz NUKKKIHAQBMIBG-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 24056325 168042495 /nfs/dbraw/zinc/04/24/95/168042495.db2.gz NUKKKIHAQBMIBG-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO C[NH2+][C@@H]1CCNC[C@H]1C 40539487 168042500 /nfs/dbraw/zinc/04/25/00/168042500.db2.gz PAIUOUOHLLEEEP-RNFRBKRXSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+][C@@H]1CCN[C@H](C)C1 40539475 168042575 /nfs/dbraw/zinc/04/25/75/168042575.db2.gz CAQOGRYRSAEKTO-RNFRBKRXSA-N 1 3 128.219 0.346 10 0 ACAEHO CN[C@@H]1CC[NH2+][C@H](C)C1 40539475 168042578 /nfs/dbraw/zinc/04/25/78/168042578.db2.gz CAQOGRYRSAEKTO-RNFRBKRXSA-N 1 3 128.219 0.346 10 0 ACAEHO CN[C@@H]1[C@@H](C)CC(N)=[NH+][C@H]1C 39090781 168043143 /nfs/dbraw/zinc/04/31/43/168043143.db2.gz WBRIUVYZMGNLCZ-VMHSAVOQSA-N 1 3 155.245 0.360 10 0 ACAEHO C[NH2+][C@@H]1CCNC[C@@H]1C 40539489 168043346 /nfs/dbraw/zinc/04/33/46/168043346.db2.gz PAIUOUOHLLEEEP-NKWVEPMBSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+][C@@H]1CCN[C@@H](C)C1 40539477 168043662 /nfs/dbraw/zinc/04/36/62/168043662.db2.gz CAQOGRYRSAEKTO-NKWVEPMBSA-N 1 3 128.219 0.346 10 0 ACAEHO CN[C@@H]1CC[NH2+][C@@H](C)C1 40539477 168043664 /nfs/dbraw/zinc/04/36/64/168043664.db2.gz CAQOGRYRSAEKTO-NKWVEPMBSA-N 1 3 128.219 0.346 10 0 ACAEHO C[NH2+][C@@H]1CCN([C@@H]2CCCN(C)C2)C1 40715854 168043734 /nfs/dbraw/zinc/04/37/34/168043734.db2.gz CMWFLCBNJOJXAD-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+][C@@H]1CCNCC1(C)C 34268636 168044256 /nfs/dbraw/zinc/04/42/56/168044256.db2.gz FHWXHXRRCMIUIK-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO CN[C@@H]1CC[NH2+]CC1(C)C 34268636 168044258 /nfs/dbraw/zinc/04/42/58/168044258.db2.gz FHWXHXRRCMIUIK-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO CN[C@@H]1[C@H](C)CC(N)=[NH+][C@@H]1C 39090778 168045259 /nfs/dbraw/zinc/04/52/59/168045259.db2.gz WBRIUVYZMGNLCZ-ATRFCDNQSA-N 1 3 155.245 0.360 10 0 ACAEHO CN[C@@]1(C[NH3+])CCCSC1 61590288 168047170 /nfs/dbraw/zinc/04/71/70/168047170.db2.gz DRNNZUCKYLBJSW-SSDOTTSWSA-N 1 3 160.286 0.430 10 0 ACAEHO CN[C@@]1(C[NH3+])CCSC1 50269735 168047558 /nfs/dbraw/zinc/04/75/58/168047558.db2.gz GQIAJBAOPHIOJV-ZCFIWIBFSA-N 1 3 146.259 0.040 10 0 ACAEHO C[NH2+][C@H](C)CCCN1CCN(C)CC1 45598659 168048874 /nfs/dbraw/zinc/04/88/74/168048874.db2.gz XRMZUGOJRCVPBX-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[NH2+][C@H](C)CN1CCN(C(C)C)CC1 43896944 168049831 /nfs/dbraw/zinc/04/98/31/168049831.db2.gz LHUXGFLOZRFUAG-LLVKDONJSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@H](C)[C@@H]1CC[NH2+]C1 34499021 168049968 /nfs/dbraw/zinc/04/99/68/168049968.db2.gz GBVBYEVLALCXBL-RNFRBKRXSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+][C@H](C)[C@@H](C)N1CCCN(C)CC1 43818290 168050455 /nfs/dbraw/zinc/05/04/55/168050455.db2.gz BGYGMBFKDVIQDI-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@H](C)CN1CCCN(C)CC1 43818131 168050459 /nfs/dbraw/zinc/05/04/59/168050459.db2.gz KHFJXTRKFNGRIV-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@H](C)CN(C)C1CCN(C)CC1 44471673 168050694 /nfs/dbraw/zinc/05/06/94/168050694.db2.gz NUGCBZYGZIWVDK-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@H](C)[C@H](C)N1CCCN(C)CC1 43818294 168050793 /nfs/dbraw/zinc/05/07/93/168050793.db2.gz BGYGMBFKDVIQDI-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@H](C)[C@@H]1CCCN(C)C1 37208425 168051066 /nfs/dbraw/zinc/05/10/66/168051066.db2.gz HZGSPFKGFNFZES-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+][C@H](C)CN(C)[C@@H]1CCCN(C)C1 53244862 168051216 /nfs/dbraw/zinc/05/12/16/168051216.db2.gz QOSPVQYCKFDLQE-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@H](C)C[C@@H](C)[NH2+]C 33802891 168051233 /nfs/dbraw/zinc/05/12/33/168051233.db2.gz DVNSRGIPZPKUSM-RNFRBKRXSA-N 1 3 130.235 0.592 10 0 ACAEHO CN[C@H](C)[C@H]1CC[NH2+]C1 34499025 168052167 /nfs/dbraw/zinc/05/21/67/168052167.db2.gz GBVBYEVLALCXBL-RQJHMYQMSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+][C@H](C)[C@H]1CCCN(C)C1 37208427 168052444 /nfs/dbraw/zinc/05/24/44/168052444.db2.gz HZGSPFKGFNFZES-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+][C@H]1CCCN(C)CC1 76575705 168057306 /nfs/dbraw/zinc/05/73/06/168057306.db2.gz QOIPDKIRDZCJER-QMMMGPOBSA-N 1 3 142.246 0.690 10 0 ACAEHO C[NH2+][C@H]1CCCN(CCN(C)C)C1 53203863 168057350 /nfs/dbraw/zinc/05/73/50/168057350.db2.gz DJQWXMGWZWKSCQ-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[NH2+][C@H]1CCC[C@@H](N)C1 78724961 168057467 /nfs/dbraw/zinc/05/74/67/168057467.db2.gz VSZFBKJHIUYKMK-RQJHMYQMSA-N 1 3 128.219 0.476 10 0 ACAEHO C[NH2+][C@H]1CCCN([C@@H]2CCN(C)C2)C1 61991765 168057472 /nfs/dbraw/zinc/05/74/72/168057472.db2.gz FCGRHSPJNVPKCC-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+][C@H]1CCC[C@@H]1CN(C)C 53864637 168057568 /nfs/dbraw/zinc/05/75/68/168057568.db2.gz YHTTWWCKUWQQJI-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CN[C@H]1CCC[C@H]([NH2+]C)C1 39365145 168057729 /nfs/dbraw/zinc/05/77/29/168057729.db2.gz YDFDTKKXMZRNHR-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO CN[C@@H]1CCC[C@H]([NH2+]C)C1 39365144 168058017 /nfs/dbraw/zinc/05/80/17/168058017.db2.gz YDFDTKKXMZRNHR-OCAPTIKFSA-N 1 3 142.246 0.736 10 0 ACAEHO CN[C@H]1CCC[C@@H]([NH2+]C)C1 39365144 168058018 /nfs/dbraw/zinc/05/80/18/168058018.db2.gz YDFDTKKXMZRNHR-OCAPTIKFSA-N 1 3 142.246 0.736 10 0 ACAEHO C[NH2+][C@H]1CCC[C@H]1CN(C)C 53864641 168058059 /nfs/dbraw/zinc/05/80/59/168058059.db2.gz YHTTWWCKUWQQJI-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+][C@H]1CCC[C@H](N)C1 78724956 168058313 /nfs/dbraw/zinc/05/83/13/168058313.db2.gz VSZFBKJHIUYKMK-BQBZGAKWSA-N 1 3 128.219 0.476 10 0 ACAEHO C[NH2+][C@H]1CCN([C@@H]2CCCN(C)C2)C1 40715855 168058618 /nfs/dbraw/zinc/05/86/18/168058618.db2.gz CMWFLCBNJOJXAD-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CN[C@H]1CC[N@@H+]2CCCC[C@H]12 49565368 168058706 /nfs/dbraw/zinc/05/87/06/168058706.db2.gz NUKKKIHAQBMIBG-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CC[N@H+]2CCCC[C@H]12 49565368 168058708 /nfs/dbraw/zinc/05/87/08/168058708.db2.gz NUKKKIHAQBMIBG-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO C[NH2+][C@H]1CCNC[C@@H]1C 40539485 168059353 /nfs/dbraw/zinc/05/93/53/168059353.db2.gz PAIUOUOHLLEEEP-BQBZGAKWSA-N 1 3 128.219 0.204 10 0 ACAEHO C[NH2+][C@H]1CCNCC1(C)C 34268635 168059525 /nfs/dbraw/zinc/05/95/25/168059525.db2.gz FHWXHXRRCMIUIK-ZETCQYMHSA-N 1 3 142.246 0.594 10 0 ACAEHO CN[C@H]1CC[NH2+]CC1(C)C 34268635 168059526 /nfs/dbraw/zinc/05/95/26/168059526.db2.gz FHWXHXRRCMIUIK-ZETCQYMHSA-N 1 3 142.246 0.594 10 0 ACAEHO CN[C@H]1[C@H](C)[NH+]=C(N)C[C@H]1C 39090780 168059743 /nfs/dbraw/zinc/05/97/43/168059743.db2.gz WBRIUVYZMGNLCZ-GKROBHDKSA-N 1 3 155.245 0.360 10 0 ACAEHO C[NH2+][C@H]1CCNC[C@H]1C 40539483 168059753 /nfs/dbraw/zinc/05/97/53/168059753.db2.gz PAIUOUOHLLEEEP-RQJHMYQMSA-N 1 3 128.219 0.204 10 0 ACAEHO CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 24056327 168059797 /nfs/dbraw/zinc/05/97/97/168059797.db2.gz NUKKKIHAQBMIBG-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CC[N@H+]2CCCC[C@@H]12 24056327 168059799 /nfs/dbraw/zinc/05/97/99/168059799.db2.gz NUKKKIHAQBMIBG-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[NH2+][C@H]1CCN[C@H](C)C1 40539479 168059910 /nfs/dbraw/zinc/05/99/10/168059910.db2.gz CAQOGRYRSAEKTO-RQJHMYQMSA-N 1 3 128.219 0.346 10 0 ACAEHO CN[C@H]1CC[NH2+][C@H](C)C1 40539479 168059912 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198.310 0.563 10 0 ACAEHO CO[C@H](C1CC1)[C@H]1CNCC[N@@H+](C)C1 95930177 168213425 /nfs/dbraw/zinc/21/34/25/168213425.db2.gz RIFVPHISCUUUMQ-WDEREUQCSA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@H](C1CC1)[C@@H]1CNCC[N@H+](C)C1 95930178 168213622 /nfs/dbraw/zinc/21/36/22/168213622.db2.gz RIFVPHISCUUUMQ-GHMZBOCLSA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@H](C1CC1)[C@@H]1CNCC[N@@H+](C)C1 95930178 168213625 /nfs/dbraw/zinc/21/36/25/168213625.db2.gz RIFVPHISCUUUMQ-GHMZBOCLSA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@H]1CCCC[C@H]1NCC[NH3+] 37713020 168214840 /nfs/dbraw/zinc/21/48/40/168214840.db2.gz PFZCMYFKUACOEG-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO CO[C@H]1CCCC[C@@H]1NCC[NH3+] 37713018 168215634 /nfs/dbraw/zinc/21/56/34/168215634.db2.gz PFZCMYFKUACOEG-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CO[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 50372120 168216178 /nfs/dbraw/zinc/21/61/78/168216178.db2.gz BXZWQLJSKCTZHS-MNOVXSKESA-N 1 3 198.310 0.896 10 0 ACAEHO CO[C@H]1CCC[C@H]1NC1CC[NH2+]CC1 50372120 168216180 /nfs/dbraw/zinc/21/61/80/168216180.db2.gz BXZWQLJSKCTZHS-MNOVXSKESA-N 1 3 198.310 0.896 10 0 ACAEHO CO[C@H]1CCC[C@H]1NCC[C@@H](C)[NH3+] 50375775 168216590 /nfs/dbraw/zinc/21/65/90/168216590.db2.gz HXDFSGAPQPKYDQ-BBBLOLIVSA-N 1 3 186.299 0.881 10 0 ACAEHO CO[C@H]1CCC[C@H]1N1CCC([NH3+])CC1 50374049 168216914 /nfs/dbraw/zinc/21/69/14/168216914.db2.gz JPBKIZLNHTYGHN-MNOVXSKESA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CCC[C@@H]1N1CCC([NH3+])CC1 50374047 168217243 /nfs/dbraw/zinc/21/72/43/168217243.db2.gz JPBKIZLNHTYGHN-QWRGUYRKSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CCC[C@@H]1NCCC[NH3+] 50375627 168217408 /nfs/dbraw/zinc/21/74/08/168217408.db2.gz PKFGHOMGZGRWOR-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CO[C@H]1CCC[C@@H]1[NH2+]CCCN 50375627 168217410 /nfs/dbraw/zinc/21/74/10/168217410.db2.gz PKFGHOMGZGRWOR-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CO[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 50372118 168217617 /nfs/dbraw/zinc/21/76/17/168217617.db2.gz BXZWQLJSKCTZHS-QWRGUYRKSA-N 1 3 198.310 0.896 10 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/nfs/dbraw/zinc/21/86/78/168218678.db2.gz QDMWBKWEKLTFQO-RKDXNWHRSA-N 1 3 186.299 0.751 10 0 ACAEHO CO[C@H]1C[NH2+]C[C@H]1Nc1ccncc1 36268180 168218683 /nfs/dbraw/zinc/21/86/83/168218683.db2.gz RALSPGWCEAJWNK-ZJUUUORDSA-N 1 3 193.250 0.480 10 0 ACAEHO CO[C@H]1C[NH2+][C@H](CNCC(C)C)C1 40637609 168218813 /nfs/dbraw/zinc/21/88/13/168218813.db2.gz VHZCTLCMPRAULU-VHSXEESVSA-N 1 3 186.299 0.609 10 0 ACAEHO CO[C@H]1C[NH2+][C@@H](CNCC2CC2)C1 40637623 168218965 /nfs/dbraw/zinc/21/89/65/168218965.db2.gz FLMLDQZFOQXLFY-NXEZZACHSA-N 1 3 184.283 0.363 10 0 ACAEHO CO[C@H]1C[NH2+][C@H](CNC(C)(C)C)C1 40637589 168219007 /nfs/dbraw/zinc/21/90/07/168219007.db2.gz QDMWBKWEKLTFQO-DTWKUNHWSA-N 1 3 186.299 0.751 10 0 ACAEHO CO[C@H]1C[NH2+][C@@H](CNC2CCCC2)C1 40637611 168219113 /nfs/dbraw/zinc/21/91/13/168219113.db2.gz LYURBCYGXRJASB-GHMZBOCLSA-N 1 3 198.310 0.896 10 0 ACAEHO CO[C@H]1C[NH2+]C[C@@H]1Nc1ccncc1 36268179 168219252 /nfs/dbraw/zinc/21/92/52/168219252.db2.gz RALSPGWCEAJWNK-UWVGGRQHSA-N 1 3 193.250 0.480 10 0 ACAEHO CO[C@H]1C[NH2+][C@@H](CNCC(C)C)C1 40637610 168219520 /nfs/dbraw/zinc/21/95/20/168219520.db2.gz VHZCTLCMPRAULU-NXEZZACHSA-N 1 3 186.299 0.609 10 0 ACAEHO COc1c(CN)cc(C)cc1C[NH3+] 40504085 168224896 /nfs/dbraw/zinc/22/48/96/168224896.db2.gz WLTUDVRDIXDCEW-UHFFFAOYSA-N 1 3 180.251 0.921 10 0 ACAEHO COc1cc(CN)nc(C[NH3+])c1 39089585 168234324 /nfs/dbraw/zinc/23/43/24/168234324.db2.gz DRIZJTFDOQINLG-UHFFFAOYSA-N 1 3 167.212 0.008 10 0 ACAEHO COc1ccc(CCNCC[NH3+])cc1 84582129 168248730 /nfs/dbraw/zinc/24/87/30/168248730.db2.gz NKQVVWKVCXJXFR-UHFFFAOYSA-N 1 3 194.278 0.786 10 0 ACAEHO COc1cccc(CCNCC[NH3+])c1 19732689 168269802 /nfs/dbraw/zinc/26/98/02/168269802.db2.gz GQHHERAALZIWIY-UHFFFAOYSA-N 1 3 194.278 0.786 10 0 ACAEHO CSC(SC)=C(CN)C[NH3+] 44249151 168297236 /nfs/dbraw/zinc/29/72/36/168297236.db2.gz PLJLIKPNVJXOQW-UHFFFAOYSA-N 1 3 178.326 0.841 10 0 ACAEHO CSCCCNCC[NH3+] 37712642 168299883 /nfs/dbraw/zinc/29/98/83/168299883.db2.gz UWANLGGXIGTOCQ-UHFFFAOYSA-N 1 3 148.275 0.288 10 0 ACAEHO CSCCNCCC[NH3+] 27208633 168300272 /nfs/dbraw/zinc/30/02/72/168300272.db2.gz RGEXERYSXLKPQZ-UHFFFAOYSA-N 1 3 148.275 0.288 10 0 ACAEHO CSCC[NH2+]CCCN 27208633 168300275 /nfs/dbraw/zinc/30/02/75/168300275.db2.gz RGEXERYSXLKPQZ-UHFFFAOYSA-N 1 3 148.275 0.288 10 0 ACAEHO CSCCC[NH2+]CCCN 37713466 168300317 /nfs/dbraw/zinc/30/03/17/168300317.db2.gz GMNFZLMVYCWBPF-UHFFFAOYSA-N 1 3 162.302 0.678 10 0 ACAEHO CSCCNCCC[NH+](C)C 49753104 168301231 /nfs/dbraw/zinc/30/12/31/168301231.db2.gz ZFYZZYAJEFZDIC-UHFFFAOYSA-N 1 3 176.329 0.891 10 0 ACAEHO CSCC[C@H]1[C@@H](N)CC[N@@H+]1C 82399253 168302713 /nfs/dbraw/zinc/30/27/13/168302713.db2.gz ZEJSXXUGJFTEME-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[C@H]1[C@@H](N)CC[N@H+]1C 82399253 168302715 /nfs/dbraw/zinc/30/27/15/168302715.db2.gz ZEJSXXUGJFTEME-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[C@H]1[C@H](N)CC[N@@H+]1C 82399254 168303602 /nfs/dbraw/zinc/30/36/02/168303602.db2.gz ZEJSXXUGJFTEME-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[C@H]1[C@H](N)CC[N@H+]1C 82399254 168303603 /nfs/dbraw/zinc/30/36/03/168303603.db2.gz ZEJSXXUGJFTEME-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N(C)C1CCN(C)CC1 43515187 168326216 /nfs/dbraw/zinc/32/62/16/168326216.db2.gz TWESBBVKAKPNSS-QMMMGPOBSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@@H](C1CC1)N1CC[C@H]([NH3+])C1 35733658 168331113 /nfs/dbraw/zinc/33/11/13/168331113.db2.gz CRCURGZTWATQFT-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCC(O)CC1 48249849 168334404 /nfs/dbraw/zinc/33/44/04/168334404.db2.gz OXBNJELKPXOTEL-ZETCQYMHSA-N 1 3 185.271 0.158 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCCN(C)CC1 48249911 168334669 /nfs/dbraw/zinc/33/46/69/168334669.db2.gz RBCOWNCFKDTHRH-VIFPVBQESA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)C[C@@H](C)O 51818633 168336735 /nfs/dbraw/zinc/33/67/35/168336735.db2.gz LHSVMUHJZFUQKS-JGVFFNPUSA-N 1 3 160.261 0.036 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)[C@@H]1CCCN(C)C1 53205808 168336839 /nfs/dbraw/zinc/33/68/39/168336839.db2.gz RGOHPXXWJRKOPQ-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CCN(C)C)[NH2+]CCN(C)C 49557687 168336867 /nfs/dbraw/zinc/33/68/67/168336867.db2.gz RXSFMLODFDKAGF-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO C[C@@H](CC[NH+](C)C)NCCN(C)C 49557687 168336870 /nfs/dbraw/zinc/33/68/70/168336870.db2.gz RXSFMLODFDKAGF-JTQLQIEISA-N 1 3 187.331 0.478 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCC[C@H](O)C1 41042615 168336965 /nfs/dbraw/zinc/33/69/65/168336965.db2.gz NTIIBIABZIDUBQ-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)C[C@@H]1CCCO1 42463487 168337085 /nfs/dbraw/zinc/33/70/85/168337085.db2.gz OSCUOVGIOHHLFL-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)C1CCN(C)CC1 48247962 168337109 /nfs/dbraw/zinc/33/71/09/168337109.db2.gz ZHKZJOBPLYDXQT-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)C1CCN(C)CC1 48247962 168337110 /nfs/dbraw/zinc/33/71/10/168337110.db2.gz ZHKZJOBPLYDXQT-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCCOCC1 61914899 168337208 /nfs/dbraw/zinc/33/72/08/168337208.db2.gz VCUCPSQKMLNIRI-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H](CCC[NH3+])N1CCOC[C@@H]1C 52475969 168337235 /nfs/dbraw/zinc/33/72/35/168337235.db2.gz HZXZXBOIIKNMBN-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)CCN(C)C 49805139 168337332 /nfs/dbraw/zinc/33/73/32/168337332.db2.gz XVHURWKCNQYQMN-VIFPVBQESA-N 1 3 173.304 0.217 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCC[C@@H]1CO 42432793 168337340 /nfs/dbraw/zinc/33/73/40/168337340.db2.gz RZFRXTKPCIDBCH-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCC[C@@H]1CO 42432793 168337342 /nfs/dbraw/zinc/33/73/42/168337342.db2.gz RZFRXTKPCIDBCH-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CCCO)N1CCC([NH3+])CC1 58826947 168337608 /nfs/dbraw/zinc/33/76/08/168337608.db2.gz AXYMDQRTDPHJHE-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCC(O)CC1 41042494 168337780 /nfs/dbraw/zinc/33/77/80/168337780.db2.gz FIODCXIQMADKGW-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCCO[C@H](C)C1 61914723 168337827 /nfs/dbraw/zinc/33/78/27/168337827.db2.gz VVYNPQSGNBBRKL-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CC[NH3+])N(CCO)C1CC1 42478833 168337848 /nfs/dbraw/zinc/33/78/48/168337848.db2.gz NBXKRHOFCWKEQQ-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCCN(C)CC1 41042519 168337856 /nfs/dbraw/zinc/33/78/56/168337856.db2.gz SBESCUSOPIYFPN-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)C1CC1 21399738 168337955 /nfs/dbraw/zinc/33/79/55/168337955.db2.gz OTQPFRKWMVJKHR-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)C1CC1 21399738 168337956 /nfs/dbraw/zinc/33/79/56/168337956.db2.gz OTQPFRKWMVJKHR-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)C1CC1 21399738 168337958 /nfs/dbraw/zinc/33/79/58/168337958.db2.gz OTQPFRKWMVJKHR-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCCC[C@@H]1CO 42432177 168338040 /nfs/dbraw/zinc/33/80/40/168338040.db2.gz PLUWDCWUPPFBBI-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCCC[C@@H]1CO 42432177 168338041 /nfs/dbraw/zinc/33/80/41/168338041.db2.gz PLUWDCWUPPFBBI-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCCC[C@@H]1CO 42432177 168338042 /nfs/dbraw/zinc/33/80/42/168338042.db2.gz PLUWDCWUPPFBBI-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CCN(C)C)NC(=[NH2+])NC1CC1 52044697 168338048 /nfs/dbraw/zinc/33/80/48/168338048.db2.gz NQDBHAIAKAVDOI-QMMMGPOBSA-N 1 3 198.314 0.603 10 0 ACAEHO C[C@@H](CCC[NH3+])N1CCN(C)CC1 19674375 168338087 /nfs/dbraw/zinc/33/80/87/168338087.db2.gz AWHWLXFASVQFPV-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@@H](CCC[NH3+])N1CCOCC1 19674292 168338167 /nfs/dbraw/zinc/33/81/67/168338167.db2.gz WWMMCIFRWOPWIV-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H](CCN)[NH+]1CCC(CO)CC1 41042533 168338212 /nfs/dbraw/zinc/33/82/12/168338212.db2.gz RVSVOUMAKOQHSH-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CCN)[N@H+](C)C1CCOCC1 41042653 168338274 /nfs/dbraw/zinc/33/82/74/168338274.db2.gz QUTBKFFZYMOTOH-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CCN)[N@@H+](C)C1CCOCC1 41042653 168338275 /nfs/dbraw/zinc/33/82/75/168338275.db2.gz QUTBKFFZYMOTOH-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CC[NH3+])N(C)C1CCOCC1 41042653 168338277 /nfs/dbraw/zinc/33/82/77/168338277.db2.gz QUTBKFFZYMOTOH-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1CCC[C@H](CO)C1 41042649 168338320 /nfs/dbraw/zinc/33/83/20/168338320.db2.gz AJVXTXAMRSINRI-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CCN)[N@H+]1CCC[C@H](CO)C1 41042649 168338323 /nfs/dbraw/zinc/33/83/23/168338323.db2.gz AJVXTXAMRSINRI-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCC[C@H](CO)C1 41042649 168338324 /nfs/dbraw/zinc/33/83/24/168338324.db2.gz AJVXTXAMRSINRI-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN(C)C[C@@H]1CCOC1)C(N)=[NH2+] 42459885 168340749 /nfs/dbraw/zinc/34/07/49/168340749.db2.gz NRWAGXBZOYARET-IUCAKERBSA-N 1 3 199.298 0.527 10 0 ACAEHO C[C@@H](CN(C)C)SC(N)=[NH2+] 39081584 168341126 /nfs/dbraw/zinc/34/11/26/168341126.db2.gz DBFQAJYRWXQNML-YFKPBYRVSA-N 1 3 161.274 0.563 10 0 ACAEHO C[C@@H](CN(C)CCN(C)C)C(N)=[NH2+] 42459684 168341239 /nfs/dbraw/zinc/34/12/39/168341239.db2.gz NTLCLUHXCJIARJ-QMMMGPOBSA-N 1 3 186.303 0.052 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)C1CC1 37080554 168342413 /nfs/dbraw/zinc/34/24/13/168342413.db2.gz WOGXXPZKXWFQSG-ZETCQYMHSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCCO[C@H](C)C1 61914807 168342447 /nfs/dbraw/zinc/34/24/47/168342447.db2.gz YTHJRTNXVQUVMA-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](C[NH3+])N(CCO)C1CCCC1 43513870 168342730 /nfs/dbraw/zinc/34/27/30/168342730.db2.gz JXNZKUIVODPQPX-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@H]1CC1(C)C 54346027 168342754 /nfs/dbraw/zinc/34/27/54/168342754.db2.gz LPPLYCFLRXBAGH-YUMQZZPRSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H](C[NH3+])CN[C@H]1CC1(C)C 54346027 168342755 /nfs/dbraw/zinc/34/27/55/168342755.db2.gz LPPLYCFLRXBAGH-YUMQZZPRSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)CCn1cccn1 42456136 168342838 /nfs/dbraw/zinc/34/28/38/168342838.db2.gz NMRKISADQPQLPO-JTQLQIEISA-N 1 3 196.298 0.410 10 0 ACAEHO C[C@@H](CN)[N@H+](C)C1CCN(C)CC1 19794313 168342858 /nfs/dbraw/zinc/34/28/58/168342858.db2.gz KOGCNEQGWCNWOA-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CN)[N@@H+](C)C1CCN(C)CC1 19794313 168342859 /nfs/dbraw/zinc/34/28/59/168342859.db2.gz KOGCNEQGWCNWOA-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CC[C@H](C)C1 40717027 168342867 /nfs/dbraw/zinc/34/28/67/168342867.db2.gz DFGYBIHSXQHXKN-IUCAKERBSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CC[C@H](C)C1 40717027 168342868 /nfs/dbraw/zinc/34/28/68/168342868.db2.gz DFGYBIHSXQHXKN-IUCAKERBSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CC[C@@H](C)C1 40717026 168343005 /nfs/dbraw/zinc/34/30/05/168343005.db2.gz DFGYBIHSXQHXKN-BDAKNGLRSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CC[C@@H](C)C1 40717026 168343007 /nfs/dbraw/zinc/34/30/07/168343007.db2.gz DFGYBIHSXQHXKN-BDAKNGLRSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@@H](CN)C[NH2+][C@@H]1CC1(C)C 54346022 168343011 /nfs/dbraw/zinc/34/30/11/168343011.db2.gz LPPLYCFLRXBAGH-JGVFFNPUSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H](C[NH3+])CN[C@@H]1CC1(C)C 54346022 168343012 /nfs/dbraw/zinc/34/30/12/168343012.db2.gz LPPLYCFLRXBAGH-JGVFFNPUSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H](C[NH3+])CN(CCO)C1CC1 42478707 168343025 /nfs/dbraw/zinc/34/30/25/168343025.db2.gz WTRITVCIUIPFIL-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC(O)CC1 36677468 168343028 /nfs/dbraw/zinc/34/30/28/168343028.db2.gz QZYADSQCAPTNTE-QMMMGPOBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)C1CCN(C)CC1 11822401 168343166 /nfs/dbraw/zinc/34/31/66/168343166.db2.gz WDWDGDOOCUNALE-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)C1CCN(C)CC1 11822401 168343168 /nfs/dbraw/zinc/34/31/68/168343168.db2.gz WDWDGDOOCUNALE-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H](CN)C[NH2+]C1CC1 54345802 168343171 /nfs/dbraw/zinc/34/31/71/168343171.db2.gz IPJCDQWLOVXPQI-LURJTMIESA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H](C[NH3+])CNC1CC1 54345802 168343174 /nfs/dbraw/zinc/34/31/74/168343174.db2.gz IPJCDQWLOVXPQI-LURJTMIESA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCCN(C)CC1 36986771 168343242 /nfs/dbraw/zinc/34/32/42/168343242.db2.gz SIZYCEYKTLFOFU-JTQLQIEISA-N 1 3 185.315 0.219 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCCO[C@@H](C)C1 61914808 168343282 /nfs/dbraw/zinc/34/32/82/168343282.db2.gz YTHJRTNXVQUVMA-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](CN)C[NH2+]C(C)(C)C 11804676 168343310 /nfs/dbraw/zinc/34/33/10/168343310.db2.gz XCPZRDPQEYVVFL-ZETCQYMHSA-N 1 3 144.262 0.969 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)CCCCO 43445252 168343346 /nfs/dbraw/zinc/34/33/46/168343346.db2.gz GZUKJKULKVNRMB-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)CCCCO 43445252 168343348 /nfs/dbraw/zinc/34/33/48/168343348.db2.gz GZUKJKULKVNRMB-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)CCCCO 43445252 168343350 /nfs/dbraw/zinc/34/33/50/168343350.db2.gz GZUKJKULKVNRMB-VIFPVBQESA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC[C@H](O)C1 36128456 168343379 /nfs/dbraw/zinc/34/33/79/168343379.db2.gz BHFDWGFPMXJUQZ-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC(CO)CC1 11804664 168343408 /nfs/dbraw/zinc/34/34/08/168343408.db2.gz JEBDHNGOKYOLDU-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](CN)C[NH+]1CCC(CO)CC1 11804664 168343410 /nfs/dbraw/zinc/34/34/10/168343410.db2.gz JEBDHNGOKYOLDU-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](C[NH3+])N(C)c1ccncc1 82632824 168343561 /nfs/dbraw/zinc/34/35/61/168343561.db2.gz NBOMHQYLJOHZCG-QMMMGPOBSA-N 1 3 165.240 0.865 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)CCN(C)C 42455992 168343567 /nfs/dbraw/zinc/34/35/67/168343567.db2.gz OIIHLAVTEHASRY-VIFPVBQESA-N 1 3 173.304 0.075 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCCN(C)C1 53205836 168343590 /nfs/dbraw/zinc/34/35/90/168343590.db2.gz UXGUNBWSASETHQ-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCCOCC1 61914979 168343623 /nfs/dbraw/zinc/34/36/23/168343623.db2.gz REDJENGELFZLNF-VIFPVBQESA-N 1 3 172.272 0.304 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)C1CCOCC1 36320516 168343649 /nfs/dbraw/zinc/34/36/49/168343649.db2.gz CCBOMHSSKCQLIV-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)C1CCOCC1 36320516 168343650 /nfs/dbraw/zinc/34/36/50/168343650.db2.gz CCBOMHSSKCQLIV-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)C1CCOCC1 36320516 168343652 /nfs/dbraw/zinc/34/36/52/168343652.db2.gz CCBOMHSSKCQLIV-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@H](CO)C1 34685005 168343672 /nfs/dbraw/zinc/34/36/72/168343672.db2.gz QTMWDSMNFACQOJ-UWVGGRQHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@H](CO)C1 34685005 168343673 /nfs/dbraw/zinc/34/36/73/168343673.db2.gz QTMWDSMNFACQOJ-UWVGGRQHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC[C@H](CO)C1 34685005 168343675 /nfs/dbraw/zinc/34/36/75/168343675.db2.gz QTMWDSMNFACQOJ-UWVGGRQHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](CN)C[NH2+]C1CCC1 54346082 168343967 /nfs/dbraw/zinc/34/39/67/168343967.db2.gz VPZLMYPQPTUIQO-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)C[C@@H]1CCOC1 42456066 168343993 /nfs/dbraw/zinc/34/39/93/168343993.db2.gz DWIVTFCMSPIAIA-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)C[C@@H]1CCOC1 42456066 168343997 /nfs/dbraw/zinc/34/39/97/168343997.db2.gz DWIVTFCMSPIAIA-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)C[C@@H]1CCOC1 42456066 168343999 /nfs/dbraw/zinc/34/39/99/168343999.db2.gz DWIVTFCMSPIAIA-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)C[C@@H]1CCCO1 42463457 168344011 /nfs/dbraw/zinc/34/40/11/168344011.db2.gz YSVFCIQFXHFDJK-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCCC[C@@H]1CO 42432119 168344234 /nfs/dbraw/zinc/34/42/34/168344234.db2.gz DSXBFDMIMSKCLS-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCCC[C@@H]1CO 42432119 168344235 /nfs/dbraw/zinc/34/42/35/168344235.db2.gz DSXBFDMIMSKCLS-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCCC[C@@H]1CO 42432119 168344236 /nfs/dbraw/zinc/34/42/36/168344236.db2.gz DSXBFDMIMSKCLS-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](C[NH3+])N(C)[C@@H]1CCCN(C)C1 53205816 168344250 /nfs/dbraw/zinc/34/42/50/168344250.db2.gz LDVIXYJBWJEOFV-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H](CO)C1 11804666 168344316 /nfs/dbraw/zinc/34/43/16/168344316.db2.gz QTMWDSMNFACQOJ-VHSXEESVSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H](CO)C1 11804666 168344319 /nfs/dbraw/zinc/34/43/19/168344319.db2.gz QTMWDSMNFACQOJ-VHSXEESVSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC[C@@H](CO)C1 11804666 168344322 /nfs/dbraw/zinc/34/43/22/168344322.db2.gz QTMWDSMNFACQOJ-VHSXEESVSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H]1CO 11804682 168344341 /nfs/dbraw/zinc/34/43/41/168344341.db2.gz LPMLAPWXFFPRTI-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H]1CO 11804682 168344342 /nfs/dbraw/zinc/34/43/42/168344342.db2.gz LPMLAPWXFFPRTI-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)CCCCCO 51020353 168344377 /nfs/dbraw/zinc/34/43/77/168344377.db2.gz JJSOHIMJXORTOL-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)CCCCCO 51020353 168344379 /nfs/dbraw/zinc/34/43/79/168344379.db2.gz JJSOHIMJXORTOL-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)CCCCCO 51020353 168344382 /nfs/dbraw/zinc/34/43/82/168344382.db2.gz JJSOHIMJXORTOL-JTQLQIEISA-N 1 3 188.315 0.676 10 0 ACAEHO C[C@@H](C[NH3+])N1CCN(C(C)(C)C)CC1 42461701 168344706 /nfs/dbraw/zinc/34/47/06/168344706.db2.gz UAQWMSYVLBVHOK-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](C[NH3+])OC1CCN(C)CC1 52596655 168345216 /nfs/dbraw/zinc/34/52/16/168345216.db2.gz ZKWCSUGNOCKPGQ-QMMMGPOBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H](C[NH3+])N1CCN(CC2CC2)CC1 42489915 168345278 /nfs/dbraw/zinc/34/52/78/168345278.db2.gz NOINNDXJKSWZJK-JTQLQIEISA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@@H](C[NH3+])NC1CC1 50271233 168345586 /nfs/dbraw/zinc/34/55/86/168345586.db2.gz ZTDQEMQSXIMPFF-YFKPBYRVSA-N 1 3 114.192 0.086 10 0 ACAEHO C[C@@H](CN)[N@@H+]1CCCO[C@H](C)C1 61914757 168345705 /nfs/dbraw/zinc/34/57/05/168345705.db2.gz ZWLGYXXRLSGVNX-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H](CN)[N@H+]1CCCO[C@H](C)C1 61914757 168345707 /nfs/dbraw/zinc/34/57/07/168345707.db2.gz ZWLGYXXRLSGVNX-DTWKUNHWSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@@H](C[NH3+])N1CC[C@@H](C)C1 40717166 168345879 /nfs/dbraw/zinc/34/58/79/168345879.db2.gz IUEQVKOJLHOIID-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H](CN1CCCN(C)CC1)C(N)=[NH2+] 36678466 168346596 /nfs/dbraw/zinc/34/65/96/168346596.db2.gz WZEOZCBSNAFODM-VIFPVBQESA-N 1 3 198.314 0.196 10 0 ACAEHO C[C@@H](CN1CCC(O)CC1)C(N)=[NH2+] 36678339 168347248 /nfs/dbraw/zinc/34/72/48/168347248.db2.gz ZMHIIOHWDCBLBO-ZETCQYMHSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@@H](CN1CCC[C@@H]1CO)C(N)=[NH2+] 42432934 168347436 /nfs/dbraw/zinc/34/74/36/168347436.db2.gz XZQWMGXVNWXCPC-JGVFFNPUSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@@H](CN1CCNCC1)[NH+]1CCCC1 19725993 168347458 /nfs/dbraw/zinc/34/74/58/168347458.db2.gz BXOVCNNKTDOVSY-NSHDSACASA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@@H](C[NH+]1CCCC1)N1CCNCC1 20179827 168347549 /nfs/dbraw/zinc/34/75/49/168347549.db2.gz ZCNWTAJCQQSGCO-NSHDSACASA-N 1 3 197.326 0.376 10 0 ACAEHO C[C@@H](CNC1CC[NH2+]CC1)N(C)C 38087331 168348866 /nfs/dbraw/zinc/34/88/66/168348866.db2.gz BOHLVJUUTZYCRS-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@@H](CNC1=[NH+]CCS1)N(C)C 45108719 168349202 /nfs/dbraw/zinc/34/92/02/168349202.db2.gz QJPKZQCNLZTRIZ-ZETCQYMHSA-N 1 3 187.312 0.629 10 0 ACAEHO C[C@@H](CN[C@H]1CCC[NH2+]C1)N(C)C 43327404 168349303 /nfs/dbraw/zinc/34/93/03/168349303.db2.gz NNYFSVVFSQSSQZ-UWVGGRQHSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@@H](CN[C@@H]1CCC[NH2+]C1)N(C)C 43327402 168349459 /nfs/dbraw/zinc/34/94/59/168349459.db2.gz NNYFSVVFSQSSQZ-VHSXEESVSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@@H](CO)[NH2+]CCCN1CCCC1 49332453 168350662 /nfs/dbraw/zinc/35/06/62/168350662.db2.gz BOZZBOFQMPJTPQ-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@@H](CO)NCCC[NH+]1CCCC1 49332453 168350664 /nfs/dbraw/zinc/35/06/64/168350664.db2.gz BOZZBOFQMPJTPQ-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[C@@H]([NH3+])/C=C/CN(C)C 83591491 168356158 /nfs/dbraw/zinc/35/61/58/168356158.db2.gz PSDOFIPAJZQGJR-SMMXGFFBSA-N 1 3 128.219 0.451 10 0 ACAEHO C[C@@H]([NH3+])CCCCN1CCN(C)CC1 45598649 168360153 /nfs/dbraw/zinc/36/01/53/168360153.db2.gz IRSGSHSLAUWZHC-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CCCSCC1 42444882 168361536 /nfs/dbraw/zinc/36/15/36/168361536.db2.gz MUTXKYGSBHJLNA-MRVPVSSYSA-N 1 3 174.313 0.773 10 0 ACAEHO C[C@@H](N)C[N@H+]1CCCSCC1 42444882 168361537 /nfs/dbraw/zinc/36/15/37/168361537.db2.gz MUTXKYGSBHJLNA-MRVPVSSYSA-N 1 3 174.313 0.773 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCCO[C@H](C)C1 61916927 168361583 /nfs/dbraw/zinc/36/15/83/168361583.db2.gz VTWMBDQGRHRKPU-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCCN(C)CC1 20429218 168361720 /nfs/dbraw/zinc/36/17/20/168361720.db2.gz GFCUNVCCBYKNFJ-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)C1CC1 37080954 168361803 /nfs/dbraw/zinc/36/18/03/168361803.db2.gz IGNPKTNIQPYBHX-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H]([NH3+])CCNC[C@H]1CCCCO1 42825551 168361812 /nfs/dbraw/zinc/36/18/12/168361812.db2.gz XMIVNGNHFSCSSL-NXEZZACHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)C1CCOCC1 36320875 168362319 /nfs/dbraw/zinc/36/23/19/168362319.db2.gz VVWFSJBYKQHUJU-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@H]1CCN(C2CC2)C1 44679559 168362363 /nfs/dbraw/zinc/36/23/63/168362363.db2.gz MKAGCEZRSQRUKM-ZJUUUORDSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H]([NH3+])CCNC1CC1 40408438 168362390 /nfs/dbraw/zinc/36/23/90/168362390.db2.gz FVUFWHDOBZUGDI-ZCFIWIBFSA-N 1 3 128.219 0.476 10 0 ACAEHO C[C@@H]([NH3+])CCN(C)[C@@H]1CCCN(C)C1 53244744 168362450 /nfs/dbraw/zinc/36/24/50/168362450.db2.gz ZTGZKNCPNJUUAN-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]([NH3+])CCNC[C@@H]1CCCCO1 42825545 168362473 /nfs/dbraw/zinc/36/24/73/168362473.db2.gz XMIVNGNHFSCSSL-ZJUUUORDSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H]([NH3+])CN(C)[C@@H]1CCCN(C)C1 53244742 168362518 /nfs/dbraw/zinc/36/25/18/168362518.db2.gz JNFBDHAWYJPXSQ-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](N)CC[NH2+]CC1CC1 40409585 168362580 /nfs/dbraw/zinc/36/25/80/168362580.db2.gz DCIBLQSBHHRJAS-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]([NH3+])CCN[C@@H]1CCN(C2CC2)C1 44679555 168362614 /nfs/dbraw/zinc/36/26/14/168362614.db2.gz MKAGCEZRSQRUKM-NXEZZACHSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H]([NH3+])CNC1CCC1 52212354 168362708 /nfs/dbraw/zinc/36/27/08/168362708.db2.gz JKLJKSNVOAWSMV-ZCFIWIBFSA-N 1 3 128.219 0.476 10 0 ACAEHO C[C@@H]([NH3+])CN1CCN2CCCC[C@H]2C1 251076167 168363168 /nfs/dbraw/zinc/36/31/68/168363168.db2.gz GMFTXWQICFWXJQ-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H](N)C[N@H+](C)[C@@H]1CCSC1 37175238 168363189 /nfs/dbraw/zinc/36/31/89/168363189.db2.gz QTXZJKIMHKXXMM-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H](N)C[N@@H+](C)[C@@H]1CCSC1 37175238 168363191 /nfs/dbraw/zinc/36/31/91/168363191.db2.gz QTXZJKIMHKXXMM-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H](N)CC[NH2+]C1CCC1 52212384 168363218 /nfs/dbraw/zinc/36/32/18/168363218.db2.gz CMXGIOUEGHUUMA-SSDOTTSWSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@@H]([NH3+])CCNC1CCC1 52212384 168363219 /nfs/dbraw/zinc/36/32/19/168363219.db2.gz CMXGIOUEGHUUMA-SSDOTTSWSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@@H]([NH3+])CCCN1CCN(C)CC1 45598651 168363378 /nfs/dbraw/zinc/36/33/78/168363378.db2.gz ILIKWPXZXZUHHL-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@@H]([NH3+])CCN1CCCOCC1 61917497 168363405 /nfs/dbraw/zinc/36/34/05/168363405.db2.gz XROXSZJWCKUTTF-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H](N)C[N@H+](C)C1CC1 37080952 168363654 /nfs/dbraw/zinc/36/36/54/168363654.db2.gz GLLOBKDHWZVTEW-ZCFIWIBFSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H](N)C[N@@H+](C)C1CC1 37080952 168363656 /nfs/dbraw/zinc/36/36/56/168363656.db2.gz GLLOBKDHWZVTEW-ZCFIWIBFSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]([NH3+])CN[C@H]1CC1(C)C 45137906 168364000 /nfs/dbraw/zinc/36/40/00/168364000.db2.gz DIMLNWHBQISREJ-RQJHMYQMSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H](N)C[NH2+][C@H]1CCN(C2CC2)C1 44679429 168364178 /nfs/dbraw/zinc/36/41/78/168364178.db2.gz LGOWFMGAWHZNEL-BDAKNGLRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H]([NH3+])CN[C@H]1CCN(C2CC2)C1 44679429 168364179 /nfs/dbraw/zinc/36/41/79/168364179.db2.gz LGOWFMGAWHZNEL-BDAKNGLRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H]([NH3+])Cc1cccnc1CN 44463510 168364226 /nfs/dbraw/zinc/36/42/26/168364226.db2.gz LCBVRLRJBHCPTC-SSDOTTSWSA-N 1 3 165.240 0.430 10 0 ACAEHO C[C@@H]([NH3+])Cc1ccnc(CN)c1 44463506 168364284 /nfs/dbraw/zinc/36/42/84/168364284.db2.gz XEEAKRILEDOORK-SSDOTTSWSA-N 1 3 165.240 0.430 10 0 ACAEHO C[C@@H]([NH3+])CN[C@@H]1CC1(C)C 45137902 168364929 /nfs/dbraw/zinc/36/49/29/168364929.db2.gz DIMLNWHBQISREJ-RNFRBKRXSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H](N)C[NH2+][C@@H]1CCN(C2CC2)C1 44679426 168365053 /nfs/dbraw/zinc/36/50/53/168365053.db2.gz LGOWFMGAWHZNEL-RKDXNWHRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H]([NH3+])CN[C@@H]1CCN(C2CC2)C1 44679426 168365055 /nfs/dbraw/zinc/36/50/55/168365055.db2.gz LGOWFMGAWHZNEL-RKDXNWHRSA-N 1 3 183.299 0.160 10 0 ACAEHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606402 168365769 /nfs/dbraw/zinc/36/57/69/168365769.db2.gz NEZHZCGFBFPJLC-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H](N)[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606402 168365770 /nfs/dbraw/zinc/36/57/70/168365770.db2.gz NEZHZCGFBFPJLC-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H](N)[C@@H](C)[N@H+](C)C1CC1 41053785 168365807 /nfs/dbraw/zinc/36/58/07/168365807.db2.gz KYFIGAYXKQUICH-RNFRBKRXSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H](N)[C@@H](C)[N@@H+](C)C1CC1 41053785 168365808 /nfs/dbraw/zinc/36/58/08/168365808.db2.gz KYFIGAYXKQUICH-RNFRBKRXSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)N1CCCN(C)CC1 41053765 168365824 /nfs/dbraw/zinc/36/58/24/168365824.db2.gz WBFOVWGVDOCNEI-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](N)[C@@H]([N@H+](C)CCO)C(C)(C)C 43293120 168366157 /nfs/dbraw/zinc/36/61/57/168366157.db2.gz POXJQFBOFMELMD-RKDXNWHRSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@@H](N)[C@@H]([N@@H+](C)CCO)C(C)(C)C 43293120 168366159 /nfs/dbraw/zinc/36/61/59/168366159.db2.gz POXJQFBOFMELMD-RKDXNWHRSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH+](C)C 41053749 168366628 /nfs/dbraw/zinc/36/66/28/168366628.db2.gz VCRFEZWLBSZISX-PHDIDXHHSA-N 1 3 116.208 0.284 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)N1CCCC1 41053706 168366946 /nfs/dbraw/zinc/36/69/46/168366946.db2.gz SRJIJFIZWNNBKA-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(N)CCCC1 335663094 168366961 /nfs/dbraw/zinc/36/69/61/168366961.db2.gz QYHBCTMHZJMQAG-HTQZYQBOSA-N 1 3 199.298 0.110 10 0 ACAEHO C[C@@H]([NH3+])Cc1cncc(CN)c1 44463508 168367066 /nfs/dbraw/zinc/36/70/66/168367066.db2.gz KRFSVZGEHYHYIO-SSDOTTSWSA-N 1 3 165.240 0.430 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](O)C1CCN(C)CC1 82399882 168367197 /nfs/dbraw/zinc/36/71/97/168367197.db2.gz RKNIHEJHHFVGNK-VXNVDRBHSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](N)[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606405 168367461 /nfs/dbraw/zinc/36/74/61/168367461.db2.gz NEZHZCGFBFPJLC-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H](N)[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606405 168367463 /nfs/dbraw/zinc/36/74/63/168367463.db2.gz NEZHZCGFBFPJLC-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]([NH3+])[C@H](O)C1CCN(C)CC1 82399880 168367991 /nfs/dbraw/zinc/36/79/91/168367991.db2.gz RKNIHEJHHFVGNK-APPZFPTMSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCN(C)C1 60250288 168368029 /nfs/dbraw/zinc/36/80/29/168368029.db2.gz FEQFXSCFTHUVHL-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCN(C)C1 60250286 168368170 /nfs/dbraw/zinc/36/81/70/168368170.db2.gz FEQFXSCFTHUVHL-RNFRBKRXSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H](N)[C@H]([N@H+](C)CCO)C(C)(C)C 43293116 168368424 /nfs/dbraw/zinc/36/84/24/168368424.db2.gz POXJQFBOFMELMD-BDAKNGLRSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@@H](N)[C@H]([N@@H+](C)CCO)C(C)(C)C 43293116 168368425 /nfs/dbraw/zinc/36/84/25/168368425.db2.gz POXJQFBOFMELMD-BDAKNGLRSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCCN(C)C1 37208397 168368550 /nfs/dbraw/zinc/36/85/50/168368550.db2.gz FJXDNNXGAALVBA-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCCN(C)C1 37208399 168368768 /nfs/dbraw/zinc/36/87/68/168368768.db2.gz FJXDNNXGAALVBA-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCO1 38040790 168378555 /nfs/dbraw/zinc/37/85/55/168378555.db2.gz AOMCITCMESWYJO-MWLCHTKSSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H](NC1CC[NH2+]CC1)[C@H]1CCCO1 38040790 168378556 /nfs/dbraw/zinc/37/85/56/168378556.db2.gz AOMCITCMESWYJO-MWLCHTKSSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCCO1 38040788 168378844 /nfs/dbraw/zinc/37/88/44/168378844.db2.gz AOMCITCMESWYJO-KOLCDFICSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H](NC1CC[NH2+]CC1)[C@@H]1CCCO1 38040788 168378845 /nfs/dbraw/zinc/37/88/45/168378845.db2.gz AOMCITCMESWYJO-KOLCDFICSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]([NH2+]CCCN)C1CC1 37713221 168381243 /nfs/dbraw/zinc/38/12/43/168381243.db2.gz OPTDSOPETPGEGP-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H](NCCO)[C@@H]1CCC[N@H+](C)C1 37222102 168381648 /nfs/dbraw/zinc/38/16/48/168381648.db2.gz MNGYYXBDDLRHPM-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H](NCCO)[C@@H]1CCC[N@@H+](C)C1 37222102 168381650 /nfs/dbraw/zinc/38/16/50/168381650.db2.gz MNGYYXBDDLRHPM-NXEZZACHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H](NCCO)[C@H]1CCC[N@H+](C)C1 37222104 168382193 /nfs/dbraw/zinc/38/21/93/168382193.db2.gz MNGYYXBDDLRHPM-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H](NCCO)[C@H]1CCC[N@@H+](C)C1 37222104 168382196 /nfs/dbraw/zinc/38/21/96/168382196.db2.gz MNGYYXBDDLRHPM-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[C@@H](N[C@@H]1CC1(C)C)C1C[NH2+]C1 335040323 168384722 /nfs/dbraw/zinc/38/47/22/168384722.db2.gz FOOJBDQVFBKZNV-VXNVDRBHSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1CC1(C)C)C1CNC1 335040323 168384723 /nfs/dbraw/zinc/38/47/23/168384723.db2.gz FOOJBDQVFBKZNV-VXNVDRBHSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H](N[C@H]1CC1(C)C)C1C[NH2+]C1 335040318 168386335 /nfs/dbraw/zinc/38/63/35/168386335.db2.gz FOOJBDQVFBKZNV-APPZFPTMSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]([NH2+][C@H]1CC1(C)C)C1CNC1 335040318 168386338 /nfs/dbraw/zinc/38/63/38/168386338.db2.gz FOOJBDQVFBKZNV-APPZFPTMSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1CN 51818604 168391416 /nfs/dbraw/zinc/39/14/16/168391416.db2.gz OQTBAHYVDGXCDZ-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1CN 51818604 168391419 /nfs/dbraw/zinc/39/14/19/168391419.db2.gz OQTBAHYVDGXCDZ-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1N 51839618 168392047 /nfs/dbraw/zinc/39/20/47/168392047.db2.gz IHKKJCCLGFPEFY-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1N 51839618 168392049 /nfs/dbraw/zinc/39/20/49/168392049.db2.gz IHKKJCCLGFPEFY-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1N 51839625 168392082 /nfs/dbraw/zinc/39/20/82/168392082.db2.gz VAJGTMIUKYEQJC-KXUCPTDWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1N 51839625 168392084 /nfs/dbraw/zinc/39/20/84/168392084.db2.gz VAJGTMIUKYEQJC-KXUCPTDWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](O)CN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750470 168393001 /nfs/dbraw/zinc/39/30/01/168393001.db2.gz SSYKFVMMELQRAZ-GQDPBHBBSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750470 168393004 /nfs/dbraw/zinc/39/30/04/168393004.db2.gz SSYKFVMMELQRAZ-GQDPBHBBSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750470 168393006 /nfs/dbraw/zinc/39/30/06/168393006.db2.gz SSYKFVMMELQRAZ-GQDPBHBBSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1CCN(C)C 42427400 168436945 /nfs/dbraw/zinc/43/69/45/168436945.db2.gz KLQMIBWTZLXXLK-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H]1C[C@@H]1NCC(C)(C)[NH3+] 52294753 168469803 /nfs/dbraw/zinc/46/98/03/168469803.db2.gz AZVRFOVQJDMVKX-RQJHMYQMSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1C[C@@](C)([NH3+])CCN1C 82409598 168472633 /nfs/dbraw/zinc/47/26/33/168472633.db2.gz BXZUZRVTXXRNRK-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H](CC[NH3+])N(C)[C@@H]1CCCN(C)C1 53205809 168524311 /nfs/dbraw/zinc/52/43/11/168524311.db2.gz RGOHPXXWJRKOPQ-GHMZBOCLSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])CCNC1CC1 40408434 168546724 /nfs/dbraw/zinc/54/67/24/168546724.db2.gz FVUFWHDOBZUGDI-LURJTMIESA-N 1 3 128.219 0.476 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCCN(C)C1 37208396 168552503 /nfs/dbraw/zinc/55/25/03/168552503.db2.gz FJXDNNXGAALVBA-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CCCN(CCN(C)C)[C@@H]1C[NH3+] 43617028 168603668 /nfs/dbraw/zinc/60/36/68/168603668.db2.gz ZLXQGOCYVMKRSE-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])CN1CCN(C)C 42427401 168621341 /nfs/dbraw/zinc/62/13/41/168621341.db2.gz KLQMIBWTZLXXLK-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO CN1N=[O+]C(=O)C1CNC1CCCC1 83250883 168697815 /nfs/dbraw/zinc/69/78/15/168697815.db2.gz NWUJUPLPVLPZBC-UHFFFAOYSA-O 1 3 198.246 0.237 10 0 ACAEHO C[C@@H](N)[C@@H](C)[N@H+](C)C1CCN(C)CC1 42290314 168365594 /nfs/dbraw/zinc/36/55/94/168365594.db2.gz HHBDEDXWXLPGFV-NXEZZACHSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCN(C)CC1 42290314 168365597 /nfs/dbraw/zinc/36/55/97/168365597.db2.gz HHBDEDXWXLPGFV-NXEZZACHSA-N 1 3 199.342 0.748 10 0 ACAEHO Cn1c(CCC[NH3+])nc2c1NCCC2 106489788 169033287 /nfs/dbraw/zinc/03/32/87/169033287.db2.gz RFIQSTAYMIXDLC-UHFFFAOYSA-N 1 3 194.282 0.670 10 0 ACAEHO Cn1cccc1C[NH2+]CCN 50595888 169049475 /nfs/dbraw/zinc/04/94/75/169049475.db2.gz QKLBPCVUISUYCB-UHFFFAOYSA-N 1 3 153.229 0.073 10 0 ACAEHO Cn1ccnc1NCCCC[NH3+] 50605488 169051070 /nfs/dbraw/zinc/05/10/70/169051070.db2.gz ZLZZTGCIQRQFIJ-UHFFFAOYSA-N 1 3 168.244 0.571 10 0 ACAEHO Cn1ccnc1CNCCCC[NH3+] 51923544 169051101 /nfs/dbraw/zinc/05/11/01/169051101.db2.gz DGSWNYCWUPHYCC-UHFFFAOYSA-N 1 3 182.271 0.249 10 0 ACAEHO Cn1ccnc1NC1CC([NH3+])C1 50606784 169051493 /nfs/dbraw/zinc/05/14/93/169051493.db2.gz VWUJDJOQDHFVKP-UHFFFAOYSA-N 1 3 166.228 0.322 10 0 ACAEHO Cn1ccnc1NC1CC[NH2+]CC1 50606804 169052081 /nfs/dbraw/zinc/05/20/81/169052081.db2.gz MVLTUEHZEPEQFC-UHFFFAOYSA-N 1 3 180.255 0.584 10 0 ACAEHO Cn1ccnc1NCCC[NH3+] 50605486 169052398 /nfs/dbraw/zinc/05/23/98/169052398.db2.gz HKJRTWYAVMNKLA-UHFFFAOYSA-N 1 3 154.217 0.181 10 0 ACAEHO Cn1ccnc1NCC1CC[NH2+]CC1 50606886 169053001 /nfs/dbraw/zinc/05/30/01/169053001.db2.gz RJJUVBNAOPVTJL-UHFFFAOYSA-N 1 3 194.282 0.832 10 0 ACAEHO Cn1ccnc1NC[C@@H]1CCC[NH2+]C1 50606881 169053903 /nfs/dbraw/zinc/05/39/03/169053903.db2.gz IDTKPYJCUNLBSV-SECBINFHSA-N 1 3 194.282 0.832 10 0 ACAEHO Cn1ccnc1NC[C@H]1CCC[NH2+]C1 50606883 169054629 /nfs/dbraw/zinc/05/46/29/169054629.db2.gz IDTKPYJCUNLBSV-VIFPVBQESA-N 1 3 194.282 0.832 10 0 ACAEHO F[C@H]1CNCC[C@@H]1C1CC[NH2+]CC1 83428722 169080597 /nfs/dbraw/zinc/08/05/97/169080597.db2.gz RBDIEGRPSWQJTA-ZJUUUORDSA-N 1 3 186.274 0.934 10 0 ACAEHO F[C@H]1C[NH2+]C[C@@H]1CNC1CC1 39088749 169080661 /nfs/dbraw/zinc/08/06/61/169080661.db2.gz QZFXTAVCZYQMQZ-SVRRBLITSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@H]1C[NH2+]C[C@H]1CNC1CC1 59649772 169080728 /nfs/dbraw/zinc/08/07/28/169080728.db2.gz QZFXTAVCZYQMQZ-XPUUQOCRSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@H]1CNCC[C@H]1C1CC[NH2+]CC1 83428721 169080926 /nfs/dbraw/zinc/08/09/26/169080926.db2.gz RBDIEGRPSWQJTA-UWVGGRQHSA-N 1 3 186.274 0.934 10 0 ACAEHO [NH3+]C[C@H]1CCN(c2ccncc2)C1 19514003 169216520 /nfs/dbraw/zinc/21/65/20/169216520.db2.gz ZPDQJCWLGVPZGG-SECBINFHSA-N 1 3 177.251 0.867 10 0 ACAEHO [NH3+]C[C@H]1CCN(C[C@H]2CCCO2)C1 34754797 169216581 /nfs/dbraw/zinc/21/65/81/169216581.db2.gz UJRONJOYJYTSIW-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 37157730 169216602 /nfs/dbraw/zinc/21/66/02/169216602.db2.gz QRAADNZJXITDEL-MWLCHTKSSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1N1CCC(O)CC1 37157730 169216603 /nfs/dbraw/zinc/21/66/03/169216603.db2.gz QRAADNZJXITDEL-MWLCHTKSSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 37157734 169216617 /nfs/dbraw/zinc/21/66/17/169216617.db2.gz QRAADNZJXITDEL-KOLCDFICSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1N1CCC(O)CC1 37157734 169216618 /nfs/dbraw/zinc/21/66/18/169216618.db2.gz QRAADNZJXITDEL-KOLCDFICSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CC[N@@H+](C2CCC2)C1 52211009 169216678 /nfs/dbraw/zinc/21/66/78/169216678.db2.gz BUCKOXGQOYUEJT-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@H]1CC[N@H+](C2CCC2)C1 52211009 169216679 /nfs/dbraw/zinc/21/66/79/169216679.db2.gz BUCKOXGQOYUEJT-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO NC(=[NH2+])CCCN(CCO)C1CC1 42479690 169136198 /nfs/dbraw/zinc/13/61/98/169136198.db2.gz VXWWTGYNQYNVQR-UHFFFAOYSA-N 1 3 185.271 0.159 10 0 ACAEHO NC(=[NH2+])CCN1CCCC[C@@H]1CCO 19480608 169136221 /nfs/dbraw/zinc/13/62/21/169136221.db2.gz OKHJCHRWTFKAFJ-SECBINFHSA-N 1 3 199.298 0.549 10 0 ACAEHO NC(=[NH2+])CCN(CCO)C1CCCC1 42508422 169136972 /nfs/dbraw/zinc/13/69/72/169136972.db2.gz YENSPRDUVHJOFB-UHFFFAOYSA-N 1 3 199.298 0.549 10 0 ACAEHO NC(=[NH2+])N1CC[C@@H](N2CCCCC2)C1 62985228 169137323 /nfs/dbraw/zinc/13/73/23/169137323.db2.gz WUSPDYDNMRKESP-SECBINFHSA-N 1 3 196.298 0.440 10 0 ACAEHO NC(=[NH2+])NCCN1CCCCCC1 3636157 169138403 /nfs/dbraw/zinc/13/84/03/169138403.db2.gz QADKYECOIABVIL-UHFFFAOYSA-N 1 3 184.287 0.345 10 0 ACAEHO NC(=[NH2+])NCCN1CCC2(CC1)CC2 2072 169138541 /nfs/dbraw/zinc/13/85/41/169138541.db2.gz MWFKNPHAOISKKI-UHFFFAOYSA-N 1 3 196.298 0.345 10 0 in-man ACAEHO NC(=[NH2+])N1CC[C@H](N2CCCCC2)C1 62985229 169138574 /nfs/dbraw/zinc/13/85/74/169138574.db2.gz WUSPDYDNMRKESP-VIFPVBQESA-N 1 3 196.298 0.440 10 0 ACAEHO NC(N=O)Nc1cccc(C[NH3+])c1 28016227 169143175 /nfs/dbraw/zinc/14/31/75/169143175.db2.gz WKWIDXNAGGCELP-UHFFFAOYSA-N 1 3 180.211 0.471 10 0 ACAEHO [NH2+]=C(NO)[C@H]1CN2CCC1CC2 34370447 169143259 /nfs/dbraw/zinc/14/32/59/169143259.db2.gz QEFKGCLVACFUSZ-ZETCQYMHSA-N 1 3 169.228 0.284 10 0 ACAEHO [NH2+]=C(NO)[C@@H]1CN2CCC1CC2 34370446 169143487 /nfs/dbraw/zinc/14/34/87/169143487.db2.gz QEFKGCLVACFUSZ-SSDOTTSWSA-N 1 3 169.228 0.284 10 0 ACAEHO N=C1NC(=[NH2+])Nc2ccccc2N1 17173403 169145348 /nfs/dbraw/zinc/14/53/48/169145348.db2.gz UOSCIXCJLYKUGU-UHFFFAOYSA-N 1 3 175.195 0.773 10 0 ACAEHO [NH3+]C1CC(Nc2ccncc2)C1 36268745 169172099 /nfs/dbraw/zinc/17/20/99/169172099.db2.gz ZHHDYNWMFBXZTB-UHFFFAOYSA-N 1 3 163.224 0.983 10 0 ACAEHO [NH3+]C1CCC(NCc2ncc[nH]2)CC1 51694599 169172127 /nfs/dbraw/zinc/17/21/27/169172127.db2.gz DCYNVHYIQZEPMX-UHFFFAOYSA-N 1 3 194.282 0.769 10 0 ACAEHO NC1CC([NH3+])(c2ccccc2)C1 72208608 169172222 /nfs/dbraw/zinc/17/22/22/169172222.db2.gz GDSYRGGLLQWSAR-UHFFFAOYSA-N 1 3 162.236 0.962 10 0 ACAEHO [NH3+]C1CCC(CN2CCOCC2)CC1 37482366 169172607 /nfs/dbraw/zinc/17/26/07/169172607.db2.gz CFTCVDMEKQNGOO-UHFFFAOYSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C1[C@H]2CC[C@@H]1CN(C1CC1)C2 32629132 169173245 /nfs/dbraw/zinc/17/32/45/169173245.db2.gz OCUIGPZGSQTPHR-JWHQNHQBSA-N 1 3 166.268 0.818 10 0 ACAEHO [NH3+]C1C[C@@H]2CC[C@H](C1)N2CCCO 38314089 169173515 /nfs/dbraw/zinc/17/35/15/169173515.db2.gz MCMIXGYVLMRBHG-PBINXNQUSA-N 1 3 184.283 0.323 10 0 ACAEHO NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCO 38314089 169173517 /nfs/dbraw/zinc/17/35/17/169173517.db2.gz MCMIXGYVLMRBHG-PBINXNQUSA-N 1 3 184.283 0.323 10 0 ACAEHO NC1C[C@@H]2CC[C@H](C1)[N@H+]2CCCO 38314089 169173519 /nfs/dbraw/zinc/17/35/19/169173519.db2.gz MCMIXGYVLMRBHG-PBINXNQUSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+]C1C[C@@H]2CCC[C@H](C1)N2 95932147 169173663 /nfs/dbraw/zinc/17/36/63/169173663.db2.gz XYUVTVGPYVVUCP-IEESLHIDSA-N 1 3 140.230 0.618 10 0 ACAEHO NC1C[C@@H]2CCC[C@H](C1)[NH2+]2 95932147 169173665 /nfs/dbraw/zinc/17/36/65/169173665.db2.gz XYUVTVGPYVVUCP-IEESLHIDSA-N 1 3 140.230 0.618 10 0 ACAEHO NCC(=O)NCC1([NH3+])CCCCCC1 307476644 169175642 /nfs/dbraw/zinc/17/56/42/169175642.db2.gz HDXOCNPDZYIOKW-UHFFFAOYSA-N 1 3 199.298 0.113 10 0 ACAEHO NCCC1([NH3+])CCCCC1 39017204 169179177 /nfs/dbraw/zinc/17/91/77/169179177.db2.gz CDXKGHJIGDQYPT-UHFFFAOYSA-N 1 3 142.246 0.997 10 0 ACAEHO NC(=O)[C@@H]1CCCN1CCCCC[NH3+] 49580640 169180554 /nfs/dbraw/zinc/18/05/54/169180554.db2.gz YNFHBCLUDRBYLV-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO NC(=O)[C@H]1CCCCN1CCCC[NH3+] 42404533 169180579 /nfs/dbraw/zinc/18/05/79/169180579.db2.gz APVFSBIYEAVEMV-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO [NH3+]CCCC1=NCCC1 34123226 169180595 /nfs/dbraw/zinc/18/05/95/169180595.db2.gz FSIKYZFAMIDJLH-UHFFFAOYSA-N 1 3 126.203 0.960 10 0 ACAEHO NC(=O)[C@@H]1CCCCN1CCCC[NH3+] 42404530 169181003 /nfs/dbraw/zinc/18/10/03/169181003.db2.gz APVFSBIYEAVEMV-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO NC(=O)[C@H]1CCCN1CCCCC[NH3+] 49580639 169181089 /nfs/dbraw/zinc/18/10/89/169181089.db2.gz YNFHBCLUDRBYLV-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO NCCC[N@H+](CCCCO)C1CC1 43445213 169182130 /nfs/dbraw/zinc/18/21/30/169182130.db2.gz VOJIHCIGRFMINM-UHFFFAOYSA-N 1 3 186.299 0.572 10 0 ACAEHO NCCC[N@@H+](CCCCO)C1CC1 43445213 169182131 /nfs/dbraw/zinc/18/21/31/169182131.db2.gz VOJIHCIGRFMINM-UHFFFAOYSA-N 1 3 186.299 0.572 10 0 ACAEHO N[C@H](CCCC[NH3+])C(=O)N1CCCC1 26673644 169182133 /nfs/dbraw/zinc/18/21/33/169182133.db2.gz NERFQQPUBDASEO-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO [NH3+]CCCN1CCCSCC1 42443321 169182154 /nfs/dbraw/zinc/18/21/54/169182154.db2.gz ROIDPYYJGVGFKV-UHFFFAOYSA-N 1 3 174.313 0.774 10 0 ACAEHO [NH3+]CCCCNCc1ncc[nH]1 49715486 169182197 /nfs/dbraw/zinc/18/21/97/169182197.db2.gz JTOYVCDHGUXLPR-UHFFFAOYSA-N 1 3 168.244 0.238 10 0 ACAEHO [NH3+]CCCN1CCC[C@H]2COCC[C@@H]21 335640707 169182383 /nfs/dbraw/zinc/18/23/83/169182383.db2.gz ZZJYIADZRUJAJF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+]1CCCC[C@H]1CCO 22222017 169182392 /nfs/dbraw/zinc/18/23/92/169182392.db2.gz MFEUDHPLTZLAID-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO NCCC[N@H+]1CCCC[C@H]1CCO 22222017 169182394 /nfs/dbraw/zinc/18/23/94/169182394.db2.gz MFEUDHPLTZLAID-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+]CCCN1CCCC[C@H]1CCO 22222017 169182395 /nfs/dbraw/zinc/18/23/95/169182395.db2.gz MFEUDHPLTZLAID-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+]CCCN1CCC[C@H]2COCC[C@H]21 335640708 169182544 /nfs/dbraw/zinc/18/25/44/169182544.db2.gz ZZJYIADZRUJAJF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN1CCC[C@@H]2COCC[C@@H]21 335640706 169182552 /nfs/dbraw/zinc/18/25/52/169182552.db2.gz ZZJYIADZRUJAJF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 13529408 169182617 /nfs/dbraw/zinc/18/26/17/169182617.db2.gz NERFQQPUBDASEO-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO NCCC[N@@H+]1CCCC[C@@H]1CCO 22222015 169182713 /nfs/dbraw/zinc/18/27/13/169182713.db2.gz MFEUDHPLTZLAID-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO NCCC[N@H+]1CCCC[C@@H]1CCO 22222015 169182714 /nfs/dbraw/zinc/18/27/14/169182714.db2.gz MFEUDHPLTZLAID-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+]CCCN1CCCC[C@@H]1CCO 22222015 169182715 /nfs/dbraw/zinc/18/27/15/169182715.db2.gz MFEUDHPLTZLAID-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+]CCCCNCc1nccs1 49538945 169182748 /nfs/dbraw/zinc/18/27/48/169182748.db2.gz YUYMCKJLOZHBHI-UHFFFAOYSA-N 1 3 185.296 0.972 10 0 ACAEHO [NH3+]CCCN1CC=CCC1 75423190 169182840 /nfs/dbraw/zinc/18/28/40/169182840.db2.gz VRFYNWWPXAMZBS-UHFFFAOYSA-N 1 3 140.230 0.597 10 0 ACAEHO [NH3+]CCCN1CCC[C@@H]2COCC[C@H]21 335640705 169182983 /nfs/dbraw/zinc/18/29/83/169182983.db2.gz ZZJYIADZRUJAJF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@H+](C[C@@H]1CCOC1)C1CC1 41045967 169183001 /nfs/dbraw/zinc/18/30/01/169183001.db2.gz PCYIIWNZJKVZCS-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 41045967 169183003 /nfs/dbraw/zinc/18/30/03/169183003.db2.gz PCYIIWNZJKVZCS-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN(C[C@@H]1CCOC1)C1CC1 41045967 169183004 /nfs/dbraw/zinc/18/30/04/169183004.db2.gz PCYIIWNZJKVZCS-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@H+](C[C@H]1CCOC1)C1CC1 41045968 169183010 /nfs/dbraw/zinc/18/30/10/169183010.db2.gz PCYIIWNZJKVZCS-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+](C[C@H]1CCOC1)C1CC1 41045968 169183012 /nfs/dbraw/zinc/18/30/12/169183012.db2.gz PCYIIWNZJKVZCS-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN(C[C@H]1CCOC1)C1CC1 41045968 169183014 /nfs/dbraw/zinc/18/30/14/169183014.db2.gz PCYIIWNZJKVZCS-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCNC[C@H]1CCCCO1 42825288 169183164 /nfs/dbraw/zinc/18/31/64/169183164.db2.gz MTFGXPHSMJARKU-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO NCCC[NH2+]C[C@H]1CCCCO1 42825288 169183166 /nfs/dbraw/zinc/18/31/66/169183166.db2.gz MTFGXPHSMJARKU-SECBINFHSA-N 1 3 172.272 0.494 10 0 ACAEHO NCCC[NH2+]C1CC1 1536990 169183176 /nfs/dbraw/zinc/18/31/76/169183176.db2.gz MYPKLHRVWALHHI-UHFFFAOYSA-N 1 3 114.192 0.087 10 0 ACAEHO [NH3+]CCCNC1CC1 1536990 169183177 /nfs/dbraw/zinc/18/31/77/169183177.db2.gz MYPKLHRVWALHHI-UHFFFAOYSA-N 1 3 114.192 0.087 10 0 ACAEHO NCCC[NH2+][C@H]1CCSC1 37713106 169183185 /nfs/dbraw/zinc/18/31/85/169183185.db2.gz ZCDODGUGLFKOQT-ZETCQYMHSA-N 1 3 160.286 0.430 10 0 ACAEHO [NH3+]CCCN[C@H]1CCSC1 37713106 169183187 /nfs/dbraw/zinc/18/31/87/169183187.db2.gz ZCDODGUGLFKOQT-ZETCQYMHSA-N 1 3 160.286 0.430 10 0 ACAEHO NCCC[NH2+]CCCCN1CC1 1636535 169183207 /nfs/dbraw/zinc/18/32/07/169183207.db2.gz JVMUEYFSUCQOKO-UHFFFAOYSA-N 1 3 171.288 0.021 10 0 ACAEHO [NH3+]CCCN[C@H]1CCN(C2CC2)C1 44679399 169183262 /nfs/dbraw/zinc/18/32/62/169183262.db2.gz KSKKZVBBZWMDKI-VIFPVBQESA-N 1 3 183.299 0.162 10 0 ACAEHO NCCC[NH2+]C1CCCC1 37713097 169183290 /nfs/dbraw/zinc/18/32/90/169183290.db2.gz KFICFRXVWYPCCL-UHFFFAOYSA-N 1 3 142.246 0.867 10 0 ACAEHO NCCC[NH2+]C1CCC1 44481722 169183325 /nfs/dbraw/zinc/18/33/25/169183325.db2.gz AZTVXBMUFIVEHQ-UHFFFAOYSA-N 1 3 128.219 0.477 10 0 ACAEHO NC1(C(=O)NCCC[NH3+])CCCCC1 40832387 169183357 /nfs/dbraw/zinc/18/33/57/169183357.db2.gz BLBKMZXAOQQZTI-UHFFFAOYSA-N 1 3 199.298 0.113 10 0 ACAEHO NCCC[NH2+][C@@H]1CCSC1 37713105 169183362 /nfs/dbraw/zinc/18/33/62/169183362.db2.gz ZCDODGUGLFKOQT-SSDOTTSWSA-N 1 3 160.286 0.430 10 0 ACAEHO [NH3+]CCCN[C@@H]1CCSC1 37713105 169183363 /nfs/dbraw/zinc/18/33/63/169183363.db2.gz ZCDODGUGLFKOQT-SSDOTTSWSA-N 1 3 160.286 0.430 10 0 ACAEHO NCCC[NH2+]C1CCSCC1 37713620 169183426 /nfs/dbraw/zinc/18/34/26/169183426.db2.gz HCTMKPRQIDCGHU-UHFFFAOYSA-N 1 3 174.313 0.820 10 0 ACAEHO [NH3+]CCCN[C@@H]1CN2CCC1CC2 37713541 169183448 /nfs/dbraw/zinc/18/34/48/169183448.db2.gz XLUVKAJDRQZQJD-SNVBAGLBSA-N 1 3 183.299 0.019 10 0 ACAEHO NCCC[NH2+]C1CCOCC1 37713631 169183567 /nfs/dbraw/zinc/18/35/67/169183567.db2.gz XFHYAOIZIPBWHT-UHFFFAOYSA-N 1 3 158.245 0.104 10 0 ACAEHO [NH3+]CCCNC[C@@H](O)c1ccccc1 51355916 169183579 /nfs/dbraw/zinc/18/35/79/169183579.db2.gz WQXCDUHJELMREB-LLVKDONJSA-N 1 3 194.278 0.658 10 0 ACAEHO [NH3+]CCCNCCc1ccccn1 44249504 169183651 /nfs/dbraw/zinc/18/36/51/169183651.db2.gz ZKKSBHSBCQFCBW-UHFFFAOYSA-N 1 3 179.267 0.563 10 0 ACAEHO NCCC[NH2+]CCc1ccccn1 44249504 169183653 /nfs/dbraw/zinc/18/36/53/169183653.db2.gz ZKKSBHSBCQFCBW-UHFFFAOYSA-N 1 3 179.267 0.563 10 0 ACAEHO [NH3+]CCCNC[C@H](O)c1ccccc1 51355918 169183807 /nfs/dbraw/zinc/18/38/07/169183807.db2.gz WQXCDUHJELMREB-NSHDSACASA-N 1 3 194.278 0.658 10 0 ACAEHO NCCC[NH2+][C@H]1CCCSC1 61588275 169183813 /nfs/dbraw/zinc/18/38/13/169183813.db2.gz ZJWFTUGMRNXEPT-QMMMGPOBSA-N 1 3 174.313 0.820 10 0 ACAEHO [NH3+]CCCN[C@H]1CCCSC1 61588275 169183814 /nfs/dbraw/zinc/18/38/14/169183814.db2.gz ZJWFTUGMRNXEPT-QMMMGPOBSA-N 1 3 174.313 0.820 10 0 ACAEHO NCCC[NH2+]CCCn1ccnc1 41620055 169183926 /nfs/dbraw/zinc/18/39/26/169183926.db2.gz MRPDRBGSZSYTSE-UHFFFAOYSA-N 1 3 182.271 0.212 10 0 ACAEHO [NH3+]CCCNC[C@@H]1CCC=CO1 50269157 169183936 /nfs/dbraw/zinc/18/39/36/169183936.db2.gz PTVFGXBWNLIMHT-VIFPVBQESA-N 1 3 170.256 0.618 10 0 ACAEHO NCCC[NH2+]C[C@@H]1CCC=CO1 50269157 169183938 /nfs/dbraw/zinc/18/39/38/169183938.db2.gz PTVFGXBWNLIMHT-VIFPVBQESA-N 1 3 170.256 0.618 10 0 ACAEHO [NH3+]CCCNC[C@@H]1CCCCO1 42825285 169183949 /nfs/dbraw/zinc/18/39/49/169183949.db2.gz MTFGXPHSMJARKU-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO NCCC[NH2+]C[C@@H]1CCCCO1 42825285 169183950 /nfs/dbraw/zinc/18/39/50/169183950.db2.gz MTFGXPHSMJARKU-VIFPVBQESA-N 1 3 172.272 0.494 10 0 ACAEHO [NH3+]CCCNCCc1ccco1 42594276 169184032 /nfs/dbraw/zinc/18/40/32/169184032.db2.gz UXRIAQJDIBIAGP-UHFFFAOYSA-N 1 3 168.240 0.761 10 0 ACAEHO [NH3+]CCCN[C@H]1CN2CCC1CC2 37713542 169184094 /nfs/dbraw/zinc/18/40/94/169184094.db2.gz XLUVKAJDRQZQJD-JTQLQIEISA-N 1 3 183.299 0.019 10 0 ACAEHO NCCC[NH2+][C@@H]1CCCSC1 61588276 169184135 /nfs/dbraw/zinc/18/41/35/169184135.db2.gz ZJWFTUGMRNXEPT-MRVPVSSYSA-N 1 3 174.313 0.820 10 0 ACAEHO [NH3+]CCCN[C@@H]1CCCSC1 61588276 169184136 /nfs/dbraw/zinc/18/41/36/169184136.db2.gz ZJWFTUGMRNXEPT-MRVPVSSYSA-N 1 3 174.313 0.820 10 0 ACAEHO NCCC[N@@H+]1C[C@H]2CC[C@@H]1C2 49715980 169184149 /nfs/dbraw/zinc/18/41/49/169184149.db2.gz NNNQQXXASOBLPW-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO NCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49715980 169184150 /nfs/dbraw/zinc/18/41/50/169184150.db2.gz NNNQQXXASOBLPW-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]CCCN[C@@H]1CCN(C2CC2)C1 44679400 169184161 /nfs/dbraw/zinc/18/41/61/169184161.db2.gz KSKKZVBBZWMDKI-SECBINFHSA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]CCCNCCc1ccncc1 51355893 169184172 /nfs/dbraw/zinc/18/41/72/169184172.db2.gz ZYHASFHSZCVRST-UHFFFAOYSA-N 1 3 179.267 0.563 10 0 ACAEHO NCCC[NH2+]CCc1ccncc1 51355893 169184173 /nfs/dbraw/zinc/18/41/73/169184173.db2.gz ZYHASFHSZCVRST-UHFFFAOYSA-N 1 3 179.267 0.563 10 0 ACAEHO [NH3+]CCCNC[C@H]1CCC=CO1 50269156 169184179 /nfs/dbraw/zinc/18/41/79/169184179.db2.gz PTVFGXBWNLIMHT-SECBINFHSA-N 1 3 170.256 0.618 10 0 ACAEHO NCCC[NH2+]C[C@H]1CCC=CO1 50269156 169184180 /nfs/dbraw/zinc/18/41/80/169184180.db2.gz PTVFGXBWNLIMHT-SECBINFHSA-N 1 3 170.256 0.618 10 0 ACAEHO NCCC[NH2+]CC1CC1 37713664 169184192 /nfs/dbraw/zinc/18/41/92/169184192.db2.gz ALTPWTVJCUBIEI-UHFFFAOYSA-N 1 3 128.219 0.335 10 0 ACAEHO NCCC[NH2+]CC1CCOCC1 52172682 169184230 /nfs/dbraw/zinc/18/42/30/169184230.db2.gz UGPXEEMAGCONQG-UHFFFAOYSA-N 1 3 172.272 0.351 10 0 ACAEHO N[C@H](CCC[NH3+])C(=O)N1CCCCC1 26673568 169184729 /nfs/dbraw/zinc/18/47/29/169184729.db2.gz DTQUBNMARYWEPV-SECBINFHSA-N 1 3 199.298 0.065 10 0 ACAEHO [NH3+]CCCSC1=NCCN1 26441898 169184876 /nfs/dbraw/zinc/18/48/76/169184876.db2.gz AYBMEHAMAKJASD-UHFFFAOYSA-N 1 3 159.258 0.028 10 0 ACAEHO N[C@@H](CCC[NH3+])C(=O)N1CCCCC1 13529509 169184938 /nfs/dbraw/zinc/18/49/38/169184938.db2.gz DTQUBNMARYWEPV-VIFPVBQESA-N 1 3 199.298 0.065 10 0 ACAEHO NCc1ccccc1OCCC[NH3+] 50285707 169185335 /nfs/dbraw/zinc/18/53/35/169185335.db2.gz VYNMLFBWIWPTOP-UHFFFAOYSA-N 1 3 180.251 0.873 10 0 ACAEHO [NH3+]CCN1CCC[C@@H]1[C@@H]1CCCOC1 335406650 169186769 /nfs/dbraw/zinc/18/67/69/169186769.db2.gz LDFMFDPANCDGKF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCN1CCC[C@H]1[C@@H]1CCCOC1 335406651 169187462 /nfs/dbraw/zinc/18/74/62/169187462.db2.gz LDFMFDPANCDGKF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCN1CCN(C2CCCC2)CC1 19688078 169187509 /nfs/dbraw/zinc/18/75/09/169187509.db2.gz NQCHSIZYZQFKEO-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO [NH3+]CCN1CCC[C@@H]1[C@H]1CCCOC1 335406653 169187620 /nfs/dbraw/zinc/18/76/20/169187620.db2.gz LDFMFDPANCDGKF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCN1CCC[C@H]1[C@H]1CCCOC1 335406652 169187653 /nfs/dbraw/zinc/18/76/53/169187653.db2.gz LDFMFDPANCDGKF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCN1CC[C@@H](C2CC2)C1 82843712 169188404 /nfs/dbraw/zinc/18/84/04/169188404.db2.gz IXTIPBCBXCVNDT-SECBINFHSA-N 1 3 154.257 0.677 10 0 ACAEHO [NH3+]CCN1CCN2CCCC[C@@H]2C1 216080300 169188615 /nfs/dbraw/zinc/18/86/15/169188615.db2.gz LMXINCJUQKFXSF-SNVBAGLBSA-N 1 3 183.299 0.115 10 0 ACAEHO [NH3+]CCN1CCNCc2ccccc21 307184209 169188833 /nfs/dbraw/zinc/18/88/33/169188833.db2.gz BAUVXQCKRGHCBI-UHFFFAOYSA-N 1 3 191.278 0.555 10 0 ACAEHO [NH3+]CCN1CCN2CCCC[C@H]2C1 39114457 169188855 /nfs/dbraw/zinc/18/88/55/169188855.db2.gz LMXINCJUQKFXSF-JTQLQIEISA-N 1 3 183.299 0.115 10 0 ACAEHO [NH3+]CCN1CC[C@H](C2CC2)C1 82843716 169189014 /nfs/dbraw/zinc/18/90/14/169189014.db2.gz IXTIPBCBXCVNDT-VIFPVBQESA-N 1 3 154.257 0.677 10 0 ACAEHO [NH3+]CCNC1Cc2ccccc2C1 37712795 169189487 /nfs/dbraw/zinc/18/94/87/169189487.db2.gz RJJMGFGTSNVVNE-UHFFFAOYSA-N 1 3 176.263 0.702 10 0 ACAEHO [NH3+]CCN[C@H]1CCCCC[C@H]1O 50523643 169189776 /nfs/dbraw/zinc/18/97/76/169189776.db2.gz YEOOHAWXBIGFKA-DTWKUNHWSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+]CCN[C@@H]1CCCCC[C@H]1O 50523645 169190030 /nfs/dbraw/zinc/19/00/30/169190030.db2.gz YEOOHAWXBIGFKA-RKDXNWHRSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+]CCN[C@@H]1CCCSC1 61588270 169190436 /nfs/dbraw/zinc/19/04/36/169190436.db2.gz BDOXGHAOJHPPLN-SSDOTTSWSA-N 1 3 160.286 0.430 10 0 ACAEHO [NH3+]CCN[C@H]1CCCSC1 61588269 169190573 /nfs/dbraw/zinc/19/05/73/169190573.db2.gz BDOXGHAOJHPPLN-ZETCQYMHSA-N 1 3 160.286 0.430 10 0 ACAEHO NCC[NH2+]C[C@@H](O)c1ccccc1F 50523568 169190597 /nfs/dbraw/zinc/19/05/97/169190597.db2.gz FZHGTBDVIBRTOL-SNVBAGLBSA-N 1 3 198.241 0.407 10 0 ACAEHO Nc1ccnc(NCC[NH3+])c1 52815366 169190844 /nfs/dbraw/zinc/19/08/44/169190844.db2.gz PFJXHDYBCUMOAF-UHFFFAOYSA-N 1 3 152.201 0.034 10 0 ACAEHO NCC[NH2+]C[C@H](O)c1ccccc1F 50523570 169190877 /nfs/dbraw/zinc/19/08/77/169190877.db2.gz FZHGTBDVIBRTOL-JTQLQIEISA-N 1 3 198.241 0.407 10 0 ACAEHO [NH3+]CCN[C@@H]1CCCCC[C@@H]1O 50523649 169191246 /nfs/dbraw/zinc/19/12/46/169191246.db2.gz YEOOHAWXBIGFKA-BDAKNGLRSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+]CCNCCc1ccc(F)cc1 74339342 169191262 /nfs/dbraw/zinc/19/12/62/169191262.db2.gz RUWGVOPDIPBPTP-UHFFFAOYSA-N 1 3 182.242 0.917 10 0 ACAEHO [NH3+]CCN[C@H]1CCCCC[C@@H]1O 50523647 169191332 /nfs/dbraw/zinc/19/13/32/169191332.db2.gz YEOOHAWXBIGFKA-IUCAKERBSA-N 1 3 172.272 0.228 10 0 ACAEHO [NH3+]CCOCCN1CC=CCC1 75423207 169191813 /nfs/dbraw/zinc/19/18/13/169191813.db2.gz SGPNZXLVYGKBKC-UHFFFAOYSA-N 1 3 170.256 0.224 10 0 ACAEHO NCc1ccccc1OCC[NH3+] 48021225 169192345 /nfs/dbraw/zinc/19/23/45/169192345.db2.gz YOEFOFPDJPDWBL-UHFFFAOYSA-N 1 3 166.224 0.483 10 0 ACAEHO [NH3+]CC[C@@H](O)CNCc1ccco1 71499539 169193206 /nfs/dbraw/zinc/19/32/06/169193206.db2.gz DZTOGSLJLYOPLF-MRVPVSSYSA-N 1 3 184.239 0.079 10 0 ACAEHO NCC[C@@H]1CCC[N@@H+]1C1CC1 17977688 169193527 /nfs/dbraw/zinc/19/35/27/169193527.db2.gz VOADJVRGZXDVFB-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO NCC[C@@H]1CCC[N@H+]1C1CC1 17977688 169193529 /nfs/dbraw/zinc/19/35/29/169193529.db2.gz VOADJVRGZXDVFB-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+]CC[C@@H]1CN(C2CCCC2)CCO1 71507732 169193913 /nfs/dbraw/zinc/19/39/13/169193913.db2.gz GDMNVXANXXMEFL-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]CC[C@@H]1CCCN2CCOC[C@@H]12 82393059 169193945 /nfs/dbraw/zinc/19/39/45/169193945.db2.gz PHALMWAUJSPQRF-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]CC[C@@H]1CSCCN1 71478984 169193990 /nfs/dbraw/zinc/19/39/90/169193990.db2.gz IHDAHNWLMHQQBP-ZCFIWIBFSA-N 1 3 146.259 0.040 10 0 ACAEHO [NH3+]CC[C@@H]1COC[C@H]2CCCN12 82400814 169194128 /nfs/dbraw/zinc/19/41/28/169194128.db2.gz OWWAIENUEXOQTQ-RKDXNWHRSA-N 1 3 170.256 0.198 10 0 ACAEHO [NH3+]CC[C@@H]1CCCN2CCOC[C@H]12 82393061 169194442 /nfs/dbraw/zinc/19/44/42/169194442.db2.gz PHALMWAUJSPQRF-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]CC[C@H](O)CNCc1ccco1 71499540 169194493 /nfs/dbraw/zinc/19/44/93/169194493.db2.gz DZTOGSLJLYOPLF-QMMMGPOBSA-N 1 3 184.239 0.079 10 0 ACAEHO [NH3+]CC[C@@H]1COC[C@@H]2CCCN21 82400815 169194712 /nfs/dbraw/zinc/19/47/12/169194712.db2.gz OWWAIENUEXOQTQ-DTWKUNHWSA-N 1 3 170.256 0.198 10 0 ACAEHO [NH3+]CC[C@@H]1CN2C=CC=CC2=N1 95931519 169194740 /nfs/dbraw/zinc/19/47/40/169194740.db2.gz BFKBVIQEKUJJPT-MRVPVSSYSA-N 1 3 163.224 0.501 10 0 ACAEHO [NH3+]CC[C@H]1CSCCN1 71478982 169195044 /nfs/dbraw/zinc/19/50/44/169195044.db2.gz IHDAHNWLMHQQBP-LURJTMIESA-N 1 3 146.259 0.040 10 0 ACAEHO [NH3+]CC[C@H]1CCCN2CCOC[C@@H]12 82393058 169195180 /nfs/dbraw/zinc/19/51/80/169195180.db2.gz PHALMWAUJSPQRF-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]CC[C@H]1CN(C2CCCC2)CCO1 71507733 169195437 /nfs/dbraw/zinc/19/54/37/169195437.db2.gz GDMNVXANXXMEFL-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]CC[C@H]1CN2C=CC=CC2=N1 95931518 169195549 /nfs/dbraw/zinc/19/55/49/169195549.db2.gz BFKBVIQEKUJJPT-QMMMGPOBSA-N 1 3 163.224 0.501 10 0 ACAEHO NCC[C@H]1CCC[N@@H+]1C1CC1 17977689 169195765 /nfs/dbraw/zinc/19/57/65/169195765.db2.gz VOADJVRGZXDVFB-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO NCC[C@H]1CCC[N@H+]1C1CC1 17977689 169195766 /nfs/dbraw/zinc/19/57/66/169195766.db2.gz VOADJVRGZXDVFB-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+]CC[C@H]1CCCN2CCOC[C@H]12 82393060 169195776 /nfs/dbraw/zinc/19/57/76/169195776.db2.gz PHALMWAUJSPQRF-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]CC[C@H]1COC[C@@H]2CCCN12 82400813 169195846 /nfs/dbraw/zinc/19/58/46/169195846.db2.gz OWWAIENUEXOQTQ-IUCAKERBSA-N 1 3 170.256 0.198 10 0 ACAEHO [NH3+]CC[C@H]1COC[C@H]2CCCN12 82400812 169195935 /nfs/dbraw/zinc/19/59/35/169195935.db2.gz OWWAIENUEXOQTQ-BDAKNGLRSA-N 1 3 170.256 0.198 10 0 ACAEHO NCc1cc(CC[NH3+])ccc1F 44250044 169197564 /nfs/dbraw/zinc/19/75/64/169197564.db2.gz OMQVJRZNVGDZCI-UHFFFAOYSA-N 1 3 168.215 0.786 10 0 ACAEHO [NH3+]CCc1ccc2c(c1)CNCCN2 44373118 169197653 /nfs/dbraw/zinc/19/76/53/169197653.db2.gz OMKBKCHZTNLHQJ-UHFFFAOYSA-N 1 3 191.278 0.703 10 0 ACAEHO NCc1cc(CC[NH3+])ccn1 44399270 169197855 /nfs/dbraw/zinc/19/78/55/169197855.db2.gz UHXMVCHBACTTQQ-UHFFFAOYSA-N 1 3 151.213 0.042 10 0 ACAEHO [NH3+]CCc1ccc(=O)n2c1NCCC2 105693791 169198321 /nfs/dbraw/zinc/19/83/21/169198321.db2.gz MSLDJWJUMTYXOL-UHFFFAOYSA-N 1 3 193.250 0.165 10 0 ACAEHO NCc1ncccc1CC[NH3+] 44399274 169198361 /nfs/dbraw/zinc/19/83/61/169198361.db2.gz PWYDOSHURZAEKM-UHFFFAOYSA-N 1 3 151.213 0.042 10 0 ACAEHO [NH3+]CCc1c[nH]c([C@H]2CCCCN2)n1 75597108 169198797 /nfs/dbraw/zinc/19/87/97/169198797.db2.gz QOINZRBWURJKPS-SECBINFHSA-N 1 3 194.282 0.726 10 0 ACAEHO [NH3+]CCc1c[nH]c([C@@H]2CCCCN2)n1 75597107 169199324 /nfs/dbraw/zinc/19/93/24/169199324.db2.gz QOINZRBWURJKPS-VIFPVBQESA-N 1 3 194.282 0.726 10 0 ACAEHO NCc1cncc(CC[NH3+])c1 44399272 169199338 /nfs/dbraw/zinc/19/93/38/169199338.db2.gz AALXSPMBZFJBGA-UHFFFAOYSA-N 1 3 151.213 0.042 10 0 ACAEHO [NH3+]CCc1nccn1-c1ccncc1 52304413 169199910 /nfs/dbraw/zinc/19/99/10/169199910.db2.gz WYGMZAHYKRZTEK-UHFFFAOYSA-N 1 3 188.234 0.769 10 0 ACAEHO [NH3+]C[C@@H](O)[C@H]1CCN2CCC[C@H]1C2 76629366 169204983 /nfs/dbraw/zinc/20/49/83/169204983.db2.gz RATJTBURLPEWIE-LPEHRKFASA-N 1 3 184.283 0.038 10 0 ACAEHO NC[C@@H]1CCCCC[C@@H]1[NH3+] 23694901 169206011 /nfs/dbraw/zinc/20/60/11/169206011.db2.gz KBNNTYXJGFFFFI-YUMQZZPRSA-N 1 3 142.246 0.853 10 0 ACAEHO NC[C@@H]1CC=CC[C@H]1[NH3+] 32098939 169206472 /nfs/dbraw/zinc/20/64/72/169206472.db2.gz JDSRZTSRTLZLQW-NKWVEPMBSA-N 1 3 126.203 0.239 10 0 ACAEHO [NH3+]C[C@@H]1CCCCN1[C@@H]1CCC[C@@H]1O 44559278 169206704 /nfs/dbraw/zinc/20/67/04/169206704.db2.gz YLLQLYTVDRAPPP-AXFHLTTASA-N 1 3 198.310 0.713 10 0 ACAEHO NC[C@@H]1CCCCC[C@H]1[NH3+] 23694908 169206891 /nfs/dbraw/zinc/20/68/91/169206891.db2.gz KBNNTYXJGFFFFI-JGVFFNPUSA-N 1 3 142.246 0.853 10 0 ACAEHO NC[C@@H](c1ccco1)N1CC[NH2+]CC1 41207082 169207125 /nfs/dbraw/zinc/20/71/25/169207125.db2.gz FBEKAXCTWFEIRE-VIFPVBQESA-N 1 3 195.266 0.185 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1CO 42432782 169207364 /nfs/dbraw/zinc/20/73/64/169207364.db2.gz KZFPLLFRIOTBGB-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H]1CO 42432782 169207366 /nfs/dbraw/zinc/20/73/66/169207366.db2.gz KZFPLLFRIOTBGB-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CC[N@@H+]2CCC[C@@H]12 24258235 169207449 /nfs/dbraw/zinc/20/74/49/169207449.db2.gz QQRBHSRNSWYCKJ-YUMQZZPRSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@@H]1CC[N@H+]2CCC[C@@H]12 24258235 169207451 /nfs/dbraw/zinc/20/74/51/169207451.db2.gz QQRBHSRNSWYCKJ-YUMQZZPRSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CCCOCC1 61914874 169207497 /nfs/dbraw/zinc/20/74/97/169207497.db2.gz AQYSNOPYLFJKGI-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@@H+]1CCCOCC1 61914874 169207499 /nfs/dbraw/zinc/20/74/99/169207499.db2.gz AQYSNOPYLFJKGI-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@H+]1CCCOCC1 61914874 169207501 /nfs/dbraw/zinc/20/75/01/169207501.db2.gz AQYSNOPYLFJKGI-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CC[N@@H+]2CCCC[C@H]12 82406913 169207632 /nfs/dbraw/zinc/20/76/32/169207632.db2.gz UAXKJMAHETYTMR-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CC[N@H+]2CCCC[C@H]12 82406913 169207634 /nfs/dbraw/zinc/20/76/34/169207634.db2.gz UAXKJMAHETYTMR-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@@H]1CCCN(CCCCO)C1 44531570 169207652 /nfs/dbraw/zinc/20/76/52/169207652.db2.gz IVEVFKWNSOQRTB-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@@H]1CCC[N@H+](CCCCO)C1 44531570 169207653 /nfs/dbraw/zinc/20/76/53/169207653.db2.gz IVEVFKWNSOQRTB-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@@H]1CCC[N@@H+](CCCCO)C1 44531570 169207654 /nfs/dbraw/zinc/20/76/54/169207654.db2.gz IVEVFKWNSOQRTB-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1N(CCO)C1CC1 42478753 169207695 /nfs/dbraw/zinc/20/76/95/169207695.db2.gz ZBISRALGLJLKIB-ONGXEEELSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@H+](CCO)C1CC1 42478753 169207697 /nfs/dbraw/zinc/20/76/97/169207697.db2.gz ZBISRALGLJLKIB-ONGXEEELSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@@H+](CCO)C1CC1 42478753 169207698 /nfs/dbraw/zinc/20/76/98/169207698.db2.gz ZBISRALGLJLKIB-ONGXEEELSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[N@H+](CCCO)C1 44530294 169207754 /nfs/dbraw/zinc/20/77/54/169207754.db2.gz KERSUTOJLARXOA-VIFPVBQESA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@@H]1CCC[N@@H+](CCCO)C1 44530294 169207755 /nfs/dbraw/zinc/20/77/55/169207755.db2.gz KERSUTOJLARXOA-VIFPVBQESA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 37157736 169207763 /nfs/dbraw/zinc/20/77/63/169207763.db2.gz QRAADNZJXITDEL-ONGXEEELSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CCC(O)CC1 37157736 169207764 /nfs/dbraw/zinc/20/77/64/169207764.db2.gz QRAADNZJXITDEL-ONGXEEELSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 37157732 169207780 /nfs/dbraw/zinc/20/77/80/169207780.db2.gz QRAADNZJXITDEL-GXSJLCMTSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1N1CCC(O)CC1 37157732 169207781 /nfs/dbraw/zinc/20/77/81/169207781.db2.gz QRAADNZJXITDEL-GXSJLCMTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CC[N@@H+]2CCSC[C@@H]12 82399854 169207797 /nfs/dbraw/zinc/20/77/97/169207797.db2.gz DVHPNBQFBYBGNW-YUMQZZPRSA-N 1 3 172.297 0.382 10 0 ACAEHO NC[C@@H]1CC[N@H+]2CCSC[C@@H]12 82399854 169207798 /nfs/dbraw/zinc/20/77/98/169207798.db2.gz DVHPNBQFBYBGNW-YUMQZZPRSA-N 1 3 172.297 0.382 10 0 ACAEHO NC[C@@H]1CCC[N@@H+]2CCC[C@H]12 82406914 169207807 /nfs/dbraw/zinc/20/78/07/169207807.db2.gz XKNGGIOHWGDEHM-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CCC[N@H+]2CCC[C@H]12 82406914 169207808 /nfs/dbraw/zinc/20/78/08/169207808.db2.gz XKNGGIOHWGDEHM-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@@H]1CCCN(C2CC2)C1 39091068 169207824 /nfs/dbraw/zinc/20/78/24/169207824.db2.gz UDBIFARCNRHTSF-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@@H]1CCN(c2ccncc2)C1 19514001 169207837 /nfs/dbraw/zinc/20/78/37/169207837.db2.gz ZPDQJCWLGVPZGG-VIFPVBQESA-N 1 3 177.251 0.867 10 0 ACAEHO NC[C@@H]1CC[N@H+](CCCCCO)C1 51021691 169207850 /nfs/dbraw/zinc/20/78/50/169207850.db2.gz FFKMXKGNKCMJNF-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@@H]1CC[N@@H+](CCCCCO)C1 51021691 169207851 /nfs/dbraw/zinc/20/78/51/169207851.db2.gz FFKMXKGNKCMJNF-JTQLQIEISA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@@H]1CC[N@@H+]2CCSC[C@H]12 82399853 169207945 /nfs/dbraw/zinc/20/79/45/169207945.db2.gz DVHPNBQFBYBGNW-JGVFFNPUSA-N 1 3 172.297 0.382 10 0 ACAEHO NC[C@@H]1CC[N@H+]2CCSC[C@H]12 82399853 169207946 /nfs/dbraw/zinc/20/79/46/169207946.db2.gz DVHPNBQFBYBGNW-JGVFFNPUSA-N 1 3 172.297 0.382 10 0 ACAEHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCCO2)C1 11891246 169207959 /nfs/dbraw/zinc/20/79/59/169207959.db2.gz UJRONJOYJYTSIW-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C1 50245273 169208037 /nfs/dbraw/zinc/20/80/37/169208037.db2.gz NAGYDSFZTKIJKD-DTWKUNHWSA-N 1 3 186.324 0.773 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCSC2)C1 50245273 169208038 /nfs/dbraw/zinc/20/80/38/169208038.db2.gz NAGYDSFZTKIJKD-DTWKUNHWSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@@H]2CCSC2)C1 50245273 169208040 /nfs/dbraw/zinc/20/80/40/169208040.db2.gz NAGYDSFZTKIJKD-DTWKUNHWSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C[C@@H]1CCN(CCn2ccnc2)C1 42541493 169208060 /nfs/dbraw/zinc/20/80/60/169208060.db2.gz VBUCTWNVXYIJQI-JTQLQIEISA-N 1 3 194.282 0.164 10 0 ACAEHO NC[C@@H]1CC[N@@H+]2CCCC[C@@H]12 24056313 169208069 /nfs/dbraw/zinc/20/80/69/169208069.db2.gz UAXKJMAHETYTMR-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CC[N@H+]2CCCC[C@@H]12 24056313 169208072 /nfs/dbraw/zinc/20/80/72/169208072.db2.gz UAXKJMAHETYTMR-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCO2)C1 19843428 169208162 /nfs/dbraw/zinc/20/81/62/169208162.db2.gz LELVGTQSKZJIGK-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCOC1 49688945 169208277 /nfs/dbraw/zinc/20/82/77/169208277.db2.gz DCCJSMGAYJVNOY-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1N(CCO)C1CC1 42478749 169208302 /nfs/dbraw/zinc/20/83/02/169208302.db2.gz ZBISRALGLJLKIB-GXSJLCMTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@H+](CCO)C1CC1 42478749 169208304 /nfs/dbraw/zinc/20/83/04/169208304.db2.gz ZBISRALGLJLKIB-GXSJLCMTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@@H+](CCO)C1CC1 42478749 169208306 /nfs/dbraw/zinc/20/83/06/169208306.db2.gz ZBISRALGLJLKIB-GXSJLCMTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CC[N@@H+](C2CCOCC2)C1 36319893 169208361 /nfs/dbraw/zinc/20/83/61/169208361.db2.gz HURMEBYRGRUOHS-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@@H]1CC[N@H+](C2CCOCC2)C1 36319893 169208363 /nfs/dbraw/zinc/20/83/63/169208363.db2.gz HURMEBYRGRUOHS-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1N1CCCOCC1 61914877 169208455 /nfs/dbraw/zinc/20/84/55/169208455.db2.gz AQYSNOPYLFJKGI-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 61914877 169208456 /nfs/dbraw/zinc/20/84/56/169208456.db2.gz AQYSNOPYLFJKGI-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1CCCOCC1 61914877 169208457 /nfs/dbraw/zinc/20/84/57/169208457.db2.gz AQYSNOPYLFJKGI-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CC[N@@H+](C2CCC2)C1 52211012 169208836 /nfs/dbraw/zinc/20/88/36/169208836.db2.gz BUCKOXGQOYUEJT-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1CC[N@H+](C2CCC2)C1 52211012 169208838 /nfs/dbraw/zinc/20/88/38/169208838.db2.gz BUCKOXGQOYUEJT-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@@H]1COCC[C@@H]1[NH+]1CCCC1 82393023 169209224 /nfs/dbraw/zinc/20/92/24/169209224.db2.gz YHBJWNMAIRFFCM-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C[C@@H]1COC[C@@H]1N1CCCC1 82400830 169209341 /nfs/dbraw/zinc/20/93/41/169209341.db2.gz BUNIXFGMOYXUIB-BDAKNGLRSA-N 1 3 170.256 0.056 10 0 ACAEHO NC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 34234269 169209449 /nfs/dbraw/zinc/20/94/49/169209449.db2.gz VKZYUJLRUDASSY-GHMZBOCLSA-N 1 3 176.263 0.948 10 0 ACAEHO NC[C@@H]1C[NH2+]C[C@H]1c1ccccc1 34234268 169209729 /nfs/dbraw/zinc/20/97/29/169209729.db2.gz VKZYUJLRUDASSY-MNOVXSKESA-N 1 3 176.263 0.948 10 0 ACAEHO NC[C@@H]1COCC[C@H]1[NH+]1CCCC1 82393022 169209854 /nfs/dbraw/zinc/20/98/54/169209854.db2.gz YHBJWNMAIRFFCM-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C[C@@H]1COC[C@H]1N1CCCC1 82400829 169210153 /nfs/dbraw/zinc/21/01/53/169210153.db2.gz BUNIXFGMOYXUIB-RKDXNWHRSA-N 1 3 170.256 0.056 10 0 ACAEHO NC[C@@H]1C[C@H]2CCC[N@@H+]2C1 18425549 169210559 /nfs/dbraw/zinc/21/05/59/169210559.db2.gz JMJPYUVGRZPVHG-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@@H]1C[C@H]2CCC[N@H+]2C1 18425549 169210561 /nfs/dbraw/zinc/21/05/61/169210561.db2.gz JMJPYUVGRZPVHG-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@@H]1C[C@@H]2CCC[N@@H+]2C1 18425547 169210701 /nfs/dbraw/zinc/21/07/01/169210701.db2.gz JMJPYUVGRZPVHG-YUMQZZPRSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@@H]1C[C@@H]2CCC[N@H+]2C1 18425547 169210703 /nfs/dbraw/zinc/21/07/03/169210703.db2.gz JMJPYUVGRZPVHG-YUMQZZPRSA-N 1 3 140.230 0.429 10 0 ACAEHO N[C@]1(C[NH3+])CC2CCC1CC2 39091069 169211252 /nfs/dbraw/zinc/21/12/52/169211252.db2.gz ZTPQAJOVDWVMSP-HACHORDNSA-N 1 3 154.257 0.853 10 0 ACAEHO NC[C@H]1CC=CC[C@H]1[NH3+] 41701768 169214533 /nfs/dbraw/zinc/21/45/33/169214533.db2.gz JDSRZTSRTLZLQW-RNFRBKRXSA-N 1 3 126.203 0.239 10 0 ACAEHO [NH3+]C[C@H]1CCCCN1[C@@H]1CCC[C@@H]1O 44559279 169214733 /nfs/dbraw/zinc/21/47/33/169214733.db2.gz YLLQLYTVDRAPPP-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCCO2)C1 19843429 169214771 /nfs/dbraw/zinc/21/47/71/169214771.db2.gz LELVGTQSKZJIGK-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H](c1ccco1)N1CC[NH2+]CC1 41207081 169214853 /nfs/dbraw/zinc/21/48/53/169214853.db2.gz FBEKAXCTWFEIRE-SECBINFHSA-N 1 3 195.266 0.185 10 0 ACAEHO NC[C@H]1CCCCC[C@H]1[NH3+] 23694912 169214906 /nfs/dbraw/zinc/21/49/06/169214906.db2.gz KBNNTYXJGFFFFI-HTQZYQBOSA-N 1 3 142.246 0.853 10 0 ACAEHO [NH3+]C[C@H]1CCCN(C2CC2)C1 84426863 169214982 /nfs/dbraw/zinc/21/49/82/169214982.db2.gz UDBIFARCNRHTSF-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@H]1CCCN(CCCCO)C1 44531568 169215026 /nfs/dbraw/zinc/21/50/26/169215026.db2.gz IVEVFKWNSOQRTB-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@H]1CCC[N@H+](CCCCO)C1 44531568 169215028 /nfs/dbraw/zinc/21/50/28/169215028.db2.gz IVEVFKWNSOQRTB-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@H]1CCC[N@@H+](CCCCO)C1 44531568 169215029 /nfs/dbraw/zinc/21/50/29/169215029.db2.gz IVEVFKWNSOQRTB-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@H]1CC=CC[C@@H]1[NH3+] 41701766 169215257 /nfs/dbraw/zinc/21/52/57/169215257.db2.gz JDSRZTSRTLZLQW-RQJHMYQMSA-N 1 3 126.203 0.239 10 0 ACAEHO NC[C@H]1CCC[N@H+](CCCO)C1 44530292 169215336 /nfs/dbraw/zinc/21/53/36/169215336.db2.gz KERSUTOJLARXOA-SECBINFHSA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@H]1CCC[N@@H+](CCCO)C1 44530292 169215337 /nfs/dbraw/zinc/21/53/37/169215337.db2.gz KERSUTOJLARXOA-SECBINFHSA-N 1 3 172.272 0.040 10 0 ACAEHO NC[C@H]1CCCCC[C@@H]1[NH3+] 23694905 169215346 /nfs/dbraw/zinc/21/53/46/169215346.db2.gz KBNNTYXJGFFFFI-SFYZADRCSA-N 1 3 142.246 0.853 10 0 ACAEHO NC[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 44531491 169215420 /nfs/dbraw/zinc/21/54/20/169215420.db2.gz NNZFORKFNVWYIM-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 44531491 169215421 /nfs/dbraw/zinc/21/54/21/169215421.db2.gz NNZFORKFNVWYIM-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CC[N@@H+](C2CCOCC2)C1 36319894 169215655 /nfs/dbraw/zinc/21/56/55/169215655.db2.gz HURMEBYRGRUOHS-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@H]1CC[N@H+](C2CCOCC2)C1 36319894 169215656 /nfs/dbraw/zinc/21/56/56/169215656.db2.gz HURMEBYRGRUOHS-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@H]1CC[N@H+](CCCCCO)C1 51021692 169215661 /nfs/dbraw/zinc/21/56/61/169215661.db2.gz FFKMXKGNKCMJNF-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@H]1CC[N@@H+](CCCCCO)C1 51021692 169215662 /nfs/dbraw/zinc/21/56/62/169215662.db2.gz FFKMXKGNKCMJNF-SNVBAGLBSA-N 1 3 186.299 0.430 10 0 ACAEHO NC[C@H]1CC[N@@H+]2CCCC[C@@H]12 24056315 169215766 /nfs/dbraw/zinc/21/57/66/169215766.db2.gz UAXKJMAHETYTMR-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@H]1CC[N@H+]2CCCC[C@@H]12 24056315 169215767 /nfs/dbraw/zinc/21/57/67/169215767.db2.gz UAXKJMAHETYTMR-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1N(CCO)C1CC1 42478751 169215834 /nfs/dbraw/zinc/21/58/34/169215834.db2.gz ZBISRALGLJLKIB-KOLCDFICSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[N@H+](CCO)C1CC1 42478751 169215836 /nfs/dbraw/zinc/21/58/36/169215836.db2.gz ZBISRALGLJLKIB-KOLCDFICSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[N@@H+](CCO)C1CC1 42478751 169215837 /nfs/dbraw/zinc/21/58/37/169215837.db2.gz ZBISRALGLJLKIB-KOLCDFICSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCSC2)C1 50245274 169215878 /nfs/dbraw/zinc/21/58/78/169215878.db2.gz NAGYDSFZTKIJKD-RKDXNWHRSA-N 1 3 186.324 0.773 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@@H]2CCSC2)C1 50245274 169215879 /nfs/dbraw/zinc/21/58/79/169215879.db2.gz NAGYDSFZTKIJKD-RKDXNWHRSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@@H]2CCSC2)C1 50245274 169215880 /nfs/dbraw/zinc/21/58/80/169215880.db2.gz NAGYDSFZTKIJKD-RKDXNWHRSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C[C@H]1CCN(CCn2ccnc2)C1 42541490 169215951 /nfs/dbraw/zinc/21/59/51/169215951.db2.gz VBUCTWNVXYIJQI-SNVBAGLBSA-N 1 3 194.282 0.164 10 0 ACAEHO NC[C@H]1CC[N@@H+]2CCC[C@@H]12 24258238 169216000 /nfs/dbraw/zinc/21/60/00/169216000.db2.gz QQRBHSRNSWYCKJ-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@H]1CC[N@H+]2CCC[C@@H]12 24258238 169216001 /nfs/dbraw/zinc/21/60/01/169216001.db2.gz QQRBHSRNSWYCKJ-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1N(CCO)C1CC1 42478747 169216129 /nfs/dbraw/zinc/21/61/29/169216129.db2.gz ZBISRALGLJLKIB-MWLCHTKSSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@H]1[N@H+](CCO)C1CC1 42478747 169216130 /nfs/dbraw/zinc/21/61/30/169216130.db2.gz ZBISRALGLJLKIB-MWLCHTKSSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[C@H]1[N@@H+](CCO)C1CC1 42478747 169216131 /nfs/dbraw/zinc/21/61/31/169216131.db2.gz ZBISRALGLJLKIB-MWLCHTKSSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CCC[N@@H+]2CCC[C@H]12 34773772 169216141 /nfs/dbraw/zinc/21/61/41/169216141.db2.gz XKNGGIOHWGDEHM-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@H]1CCC[N@H+]2CCC[C@H]12 34773772 169216143 /nfs/dbraw/zinc/21/61/43/169216143.db2.gz XKNGGIOHWGDEHM-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@H]1CCN(C[C@@H]2CCCO2)C1 11891248 169216150 /nfs/dbraw/zinc/21/61/50/169216150.db2.gz UJRONJOYJYTSIW-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@H]1CC[N@@H+]2CCCC[C@H]12 82406912 169216223 /nfs/dbraw/zinc/21/62/23/169216223.db2.gz UAXKJMAHETYTMR-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO NC[C@H]1CC[N@H+]2CCCC[C@H]12 82406912 169216224 /nfs/dbraw/zinc/21/62/24/169216224.db2.gz UAXKJMAHETYTMR-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1N1CCCOCC1 61914875 169216239 /nfs/dbraw/zinc/21/62/39/169216239.db2.gz AQYSNOPYLFJKGI-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 61914875 169216241 /nfs/dbraw/zinc/21/62/41/169216241.db2.gz AQYSNOPYLFJKGI-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[N@H+]1CCCOCC1 61914875 169216242 /nfs/dbraw/zinc/21/62/42/169216242.db2.gz AQYSNOPYLFJKGI-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1N1CCCOCC1 61914873 169216281 /nfs/dbraw/zinc/21/62/81/169216281.db2.gz AQYSNOPYLFJKGI-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCC[C@H]1[N@@H+]1CCCOCC1 61914873 169216282 /nfs/dbraw/zinc/21/62/82/169216282.db2.gz AQYSNOPYLFJKGI-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCC[C@H]1[N@H+]1CCCOCC1 61914873 169216283 /nfs/dbraw/zinc/21/62/83/169216283.db2.gz AQYSNOPYLFJKGI-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NCc1cc(C[NH3+])c(OC2CC2)cn1 95724998 169218366 /nfs/dbraw/zinc/21/83/66/169218366.db2.gz DGQNDTCKTDWVAP-UHFFFAOYSA-N 1 3 193.250 0.540 10 0 ACAEHO [NH3+]Cc1cc2c(s1)CCNC2 95775486 169220137 /nfs/dbraw/zinc/22/01/37/169220137.db2.gz LUMBMFBCTYLQRS-UHFFFAOYSA-N 1 3 168.265 0.853 10 0 ACAEHO NCc1ncc(OC2CC2)cc1C[NH3+] 95737713 169221135 /nfs/dbraw/zinc/22/11/35/169221135.db2.gz YGYFPMOQGXAFSG-UHFFFAOYSA-N 1 3 193.250 0.540 10 0 ACAEHO NCc1cc(C[NH3+])ccc1F 44249983 169222914 /nfs/dbraw/zinc/22/29/14/169222914.db2.gz SFWQKWORNZIKDY-UHFFFAOYSA-N 1 3 154.188 0.743 10 0 ACAEHO N[C@H](CO)c1ccc(C[NH3+])c(F)c1 72197502 169223317 /nfs/dbraw/zinc/22/33/17/169223317.db2.gz RGQDRYBQUCQPJH-SECBINFHSA-N 1 3 184.214 0.277 10 0 ACAEHO NCc1cc(O)ccc1C[NH3+] 39059337 169223363 /nfs/dbraw/zinc/22/33/63/169223363.db2.gz UEUIVLWXCNBPTQ-UHFFFAOYSA-N 1 3 152.197 0.310 10 0 ACAEHO N[C@@H](CO)c1ccc(C[NH3+])c(F)c1 72197503 169223541 /nfs/dbraw/zinc/22/35/41/169223541.db2.gz RGQDRYBQUCQPJH-VIFPVBQESA-N 1 3 184.214 0.277 10 0 ACAEHO NCc1cccc(C[NH3+])c1F 39088592 169224219 /nfs/dbraw/zinc/22/42/19/169224219.db2.gz FZJOHBOREUHXTO-UHFFFAOYSA-N 1 3 154.188 0.743 10 0 ACAEHO NCc1ccccc1N1CC(=O)[O+]=N1 82636563 169224855 /nfs/dbraw/zinc/22/48/55/169224855.db2.gz VPCFXLBRZNRAPS-UHFFFAOYSA-O 1 3 192.198 0.116 10 0 ACAEHO NCc1cncc(C[NH3+])c1OC1CC1 95737797 169226769 /nfs/dbraw/zinc/22/67/69/169226769.db2.gz DFRMKSIZMSSHFG-UHFFFAOYSA-N 1 3 193.250 0.540 10 0 ACAEHO NCc1cncc(OC[C@@H]2CC[NH2+]2)c1 26673259 169227017 /nfs/dbraw/zinc/22/70/17/169227017.db2.gz SJRPBOIYIJEXKQ-VIFPVBQESA-N 1 3 193.250 0.281 10 0 ACAEHO NCc1c(C[NH3+])cncc1OC1CC1 95738163 169227350 /nfs/dbraw/zinc/22/73/50/169227350.db2.gz MZYLAESYSNIYDW-UHFFFAOYSA-N 1 3 193.250 0.540 10 0 ACAEHO NCc1csc(N2CC[NH2+]CC2)n1 71490129 169228211 /nfs/dbraw/zinc/22/82/11/169228211.db2.gz PRHTYRRMXGDKPN-UHFFFAOYSA-N 1 3 198.295 0.011 10 0 ACAEHO NCc1csc(C2C[NH2+]C2)n1 83339986 169229900 /nfs/dbraw/zinc/22/99/00/169229900.db2.gz LWBCUDSJBQPOJI-UHFFFAOYSA-N 1 3 169.253 0.289 10 0 ACAEHO NCc1nccc(OC2CC2)c1C[NH3+] 95721884 169230983 /nfs/dbraw/zinc/23/09/83/169230983.db2.gz JJHWIDXDDNLGMY-UHFFFAOYSA-N 1 3 193.250 0.540 10 0 ACAEHO [NH3+][C@@H]1CC2CCN1CC2 58826471 169250670 /nfs/dbraw/zinc/25/06/70/169250670.db2.gz IGNPOXGBNFMJHE-ZETCQYMHSA-N 1 3 126.203 0.387 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)CC1 40988807 169251731 /nfs/dbraw/zinc/25/17/31/169251731.db2.gz FJJBLRPUAIHWJV-MNOVXSKESA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@H+](CCO)C1CC1 42480554 169251810 /nfs/dbraw/zinc/25/18/10/169251810.db2.gz BYNDIERKJHRIRG-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 42480554 169251812 /nfs/dbraw/zinc/25/18/12/169251812.db2.gz BYNDIERKJHRIRG-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCCC[C@@H]1N1CCC[C@@H]1CO 42433451 169251853 /nfs/dbraw/zinc/25/18/53/169251853.db2.gz QDIDDLKIZILDDK-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[NH+]1CCC(O)CC1 40988810 169252016 /nfs/dbraw/zinc/25/20/16/169252016.db2.gz FJJBLRPUAIHWJV-GHMZBOCLSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@@H+]1CCCOCC1 61917674 169252030 /nfs/dbraw/zinc/25/20/30/169252030.db2.gz AKDFCQKWYMDBHV-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@H+]1CCCOCC1 61917674 169252031 /nfs/dbraw/zinc/25/20/31/169252031.db2.gz AKDFCQKWYMDBHV-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CCC[N@H+](CCCCCO)C1 51021685 169252156 /nfs/dbraw/zinc/25/21/56/169252156.db2.gz FUHLYQIPEFRLNY-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO N[C@@H]1CCC[N@@H+](CCCCCO)C1 51021685 169252157 /nfs/dbraw/zinc/25/21/57/169252157.db2.gz FUHLYQIPEFRLNY-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@@H+]1CCCOCC1 61917673 169252205 /nfs/dbraw/zinc/25/22/05/169252205.db2.gz AKDFCQKWYMDBHV-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@H+]1CCCOCC1 61917673 169252206 /nfs/dbraw/zinc/25/22/06/169252206.db2.gz AKDFCQKWYMDBHV-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@H+](CCO)C1CC1 42480552 169252301 /nfs/dbraw/zinc/25/23/01/169252301.db2.gz BYNDIERKJHRIRG-MNOVXSKESA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1 42480552 169252303 /nfs/dbraw/zinc/25/23/03/169252303.db2.gz BYNDIERKJHRIRG-MNOVXSKESA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCCC[C@H]1N1CCC[C@@H]1CO 42433452 169252412 /nfs/dbraw/zinc/25/24/12/169252412.db2.gz QDIDDLKIZILDDK-GMTAPVOTSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CCCOCC1 61934706 169252796 /nfs/dbraw/zinc/25/27/96/169252796.db2.gz VEFXHNWVRSOSHJ-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[NH+]1CCC(CO)CC1 40988724 169252925 /nfs/dbraw/zinc/25/29/25/169252925.db2.gz ZLJAPBSEHXWRFN-MNOVXSKESA-N 1 3 198.310 0.571 10 0 ACAEHO N[C@@H]1CCC[C@H]1[N@H+](CCO)C1CC1 42480546 169252963 /nfs/dbraw/zinc/25/29/63/169252963.db2.gz UWSOFVFGAHPWBU-NXEZZACHSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[C@H]1[N@@H+](CCO)C1CC1 42480546 169252964 /nfs/dbraw/zinc/25/29/64/169252964.db2.gz UWSOFVFGAHPWBU-NXEZZACHSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CCC(O)CC1 53860605 169252983 /nfs/dbraw/zinc/25/29/83/169252983.db2.gz WEDUBMFCHZJLER-GXSJLCMTSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CCCOCC1 61934705 169253065 /nfs/dbraw/zinc/25/30/65/169253065.db2.gz VEFXHNWVRSOSHJ-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CCC(O)CC1 53860604 169253209 /nfs/dbraw/zinc/25/32/09/169253209.db2.gz WEDUBMFCHZJLER-MWLCHTKSSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](CN2CCOCC2)C1 70503021 169253251 /nfs/dbraw/zinc/25/32/51/169253251.db2.gz OBNQJGTVWYXSRP-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[C@H]1[NH+]1CCC(CO)CC1 40988719 169253399 /nfs/dbraw/zinc/25/33/99/169253399.db2.gz ZLJAPBSEHXWRFN-GHMZBOCLSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](CN2CCOCC2)C1 70503020 169253424 /nfs/dbraw/zinc/25/34/24/169253424.db2.gz OBNQJGTVWYXSRP-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[N@H+](CCO)C1CC1 42480550 169253645 /nfs/dbraw/zinc/25/36/45/169253645.db2.gz UWSOFVFGAHPWBU-ZJUUUORDSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[N@@H+](CCO)C1CC1 42480550 169253647 /nfs/dbraw/zinc/25/36/47/169253647.db2.gz UWSOFVFGAHPWBU-ZJUUUORDSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 300368835 169253814 /nfs/dbraw/zinc/25/38/14/169253814.db2.gz UNUWWTQVLWXDBT-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 300368835 169253815 /nfs/dbraw/zinc/25/38/15/169253815.db2.gz UNUWWTQVLWXDBT-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 223637676 169253824 /nfs/dbraw/zinc/25/38/24/169253824.db2.gz UNUWWTQVLWXDBT-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 223637676 169253825 /nfs/dbraw/zinc/25/38/25/169253825.db2.gz UNUWWTQVLWXDBT-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@@H]1CC[N@@H+]2C[C@H]3CC[C@H]3[C@@H]2C1 82402795 169254279 /nfs/dbraw/zinc/25/42/79/169254279.db2.gz UAKIRKAPZBORQQ-KYXWUPHJSA-N 1 3 166.268 0.818 10 0 ACAEHO N[C@@H]1CC[N@H+]2C[C@H]3CC[C@H]3[C@@H]2C1 82402795 169254280 /nfs/dbraw/zinc/25/42/80/169254280.db2.gz UAKIRKAPZBORQQ-KYXWUPHJSA-N 1 3 166.268 0.818 10 0 ACAEHO [NH3+][C@@H]1CCN2C[C@@H]3C[C@@H]3[C@H]12 82413806 169254507 /nfs/dbraw/zinc/25/45/07/169254507.db2.gz ZMPVDWXYIPBONZ-RULNZFCNSA-N 1 3 138.214 0.038 10 0 ACAEHO N[C@@H]1CC[N@@H+]2C[C@H]3CC[C@H]3[C@H]2C1 82402794 169254523 /nfs/dbraw/zinc/25/45/23/169254523.db2.gz UAKIRKAPZBORQQ-ZYUZMQFOSA-N 1 3 166.268 0.818 10 0 ACAEHO N[C@@H]1CC[N@H+]2C[C@H]3CC[C@H]3[C@H]2C1 82402794 169254525 /nfs/dbraw/zinc/25/45/25/169254525.db2.gz UAKIRKAPZBORQQ-ZYUZMQFOSA-N 1 3 166.268 0.818 10 0 ACAEHO N[C@@H]1CC[C@@H]2CCCC[N@@H+]2C1 75541966 169255606 /nfs/dbraw/zinc/25/56/06/169255606.db2.gz DONKTPZXJJDKRZ-BDAKNGLRSA-N 1 3 154.257 0.962 10 0 ACAEHO N[C@@H]1CC[C@@H]2CCCC[N@H+]2C1 75541966 169255607 /nfs/dbraw/zinc/25/56/07/169255607.db2.gz DONKTPZXJJDKRZ-BDAKNGLRSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@@H]1C1CC1 213599828 169257280 /nfs/dbraw/zinc/25/72/80/169257280.db2.gz HCYAGIXAZXQSEC-HTQZYQBOSA-N 1 3 140.230 0.333 10 0 ACAEHO [NH3+][C@@H]1CNCC[C@H]1C1CC1 104586967 169257289 /nfs/dbraw/zinc/25/72/89/169257289.db2.gz HCYAGIXAZXQSEC-JGVFFNPUSA-N 1 3 140.230 0.333 10 0 ACAEHO [NH3+][C@@H]1C[C@@H]1Nc1ccncc1 36267801 169258107 /nfs/dbraw/zinc/25/81/07/169258107.db2.gz VAEONIILKGIOEB-SFYZADRCSA-N 1 3 149.197 0.593 10 0 ACAEHO N[C@@H]1CS[C@H]([NH3+])CS1 95922253 169258824 /nfs/dbraw/zinc/25/88/24/169258824.db2.gz FNOBMVRYCUNTQL-IMJSIDKUSA-N 1 3 150.272 0.036 10 0 ACAEHO [NH3+][C@@H]1C[C@H]1Nc1ccncc1 36267800 169259901 /nfs/dbraw/zinc/25/99/01/169259901.db2.gz VAEONIILKGIOEB-HTQZYQBOSA-N 1 3 149.197 0.593 10 0 ACAEHO N[C@@]12C=C[C@@H](C1)[C@H]1C[NH2+]C[C@@H]12 39048478 169262434 /nfs/dbraw/zinc/26/24/34/169262434.db2.gz CUWNPVMOVTZBSX-KZVJFYERSA-N 1 3 150.225 0.109 10 0 ACAEHO [NH3+][C@H]1CC2CCN1CC2 58826467 169271419 /nfs/dbraw/zinc/27/14/19/169271419.db2.gz IGNPOXGBNFMJHE-SSDOTTSWSA-N 1 3 126.203 0.387 10 0 ACAEHO N[C@H]1CCCC[C@@H]1[NH+]1CCC(O)CC1 40988812 169271817 /nfs/dbraw/zinc/27/18/17/169271817.db2.gz FJJBLRPUAIHWJV-QWRGUYRKSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCCC[C@@H]1[N@@H+]1CCCOCC1 61917675 169271932 /nfs/dbraw/zinc/27/19/32/169271932.db2.gz AKDFCQKWYMDBHV-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CCCC[C@@H]1[N@H+]1CCCOCC1 61917675 169271933 /nfs/dbraw/zinc/27/19/33/169271933.db2.gz AKDFCQKWYMDBHV-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CCCC[C@H]1[NH+]1CCC(O)CC1 40988814 169271939 /nfs/dbraw/zinc/27/19/39/169271939.db2.gz FJJBLRPUAIHWJV-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCC[N@H+](CCCCCO)C1 51021684 169272014 /nfs/dbraw/zinc/27/20/14/169272014.db2.gz FUHLYQIPEFRLNY-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO N[C@H]1CCC[N@@H+](CCCCCO)C1 51021684 169272015 /nfs/dbraw/zinc/27/20/15/169272015.db2.gz FUHLYQIPEFRLNY-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+][C@H]1CCCC[C@@H]1N1CCC[C@@H]1CO 42433453 169272211 /nfs/dbraw/zinc/27/22/11/169272211.db2.gz QDIDDLKIZILDDK-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCCC[C@H]1[N@@H+]1CCCOCC1 61917676 169272232 /nfs/dbraw/zinc/27/22/32/169272232.db2.gz AKDFCQKWYMDBHV-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CCCC[C@H]1[N@H+]1CCCOCC1 61917676 169272234 /nfs/dbraw/zinc/27/22/34/169272234.db2.gz AKDFCQKWYMDBHV-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CCCC[C@@H]1[N@H+](CCO)C1CC1 42480556 169272325 /nfs/dbraw/zinc/27/23/25/169272325.db2.gz BYNDIERKJHRIRG-QWRGUYRKSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1 42480556 169272327 /nfs/dbraw/zinc/27/23/27/169272327.db2.gz BYNDIERKJHRIRG-QWRGUYRKSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 41030054 169272350 /nfs/dbraw/zinc/27/23/50/169272350.db2.gz RHSGGOHFQXONKF-AXFHLTTASA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 41030054 169272352 /nfs/dbraw/zinc/27/23/52/169272352.db2.gz RHSGGOHFQXONKF-AXFHLTTASA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCCC[C@H]1[N@H+](CCO)C1CC1 42480558 169272545 /nfs/dbraw/zinc/27/25/45/169272545.db2.gz BYNDIERKJHRIRG-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 42480558 169272546 /nfs/dbraw/zinc/27/25/46/169272546.db2.gz BYNDIERKJHRIRG-WDEREUQCSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@H]1CCCC[C@H]1N1CCC[C@@H]1CO 42433454 169272843 /nfs/dbraw/zinc/27/28/43/169272843.db2.gz QDIDDLKIZILDDK-OUAUKWLOSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 41030053 169272865 /nfs/dbraw/zinc/27/28/65/169272865.db2.gz XWJZXHANDMEXQY-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 41030053 169272866 /nfs/dbraw/zinc/27/28/66/169272866.db2.gz XWJZXHANDMEXQY-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H]1CN1CCCOCC1 61934707 169273038 /nfs/dbraw/zinc/27/30/38/169273038.db2.gz VEFXHNWVRSOSHJ-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CCC[C@]12CCC[C@@H]2[NH3+] 100647859 169273192 /nfs/dbraw/zinc/27/31/92/169273192.db2.gz BNILUWOCEPQBHS-YIZRAAEISA-N 1 3 154.257 0.995 10 0 ACAEHO N[C@H]1CCC[C@]12CCC[C@H]2[NH3+] 100647859 169273193 /nfs/dbraw/zinc/27/31/93/169273193.db2.gz BNILUWOCEPQBHS-YIZRAAEISA-N 1 3 154.257 0.995 10 0 ACAEHO [NH3+][C@H]1CCC[C@H]1CN1CCC(O)CC1 53860609 169273203 /nfs/dbraw/zinc/27/32/03/169273203.db2.gz WEDUBMFCHZJLER-ONGXEEELSA-N 1 3 198.310 0.571 10 0 ACAEHO N[C@H]1CCC[C@H]1[N@H+](CCO)C1CC1 42480544 169273272 /nfs/dbraw/zinc/27/32/72/169273272.db2.gz UWSOFVFGAHPWBU-VHSXEESVSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@H]1CCC[C@H]1[N@@H+](CCO)C1CC1 42480544 169273273 /nfs/dbraw/zinc/27/32/73/169273273.db2.gz UWSOFVFGAHPWBU-VHSXEESVSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](CN2CCOCC2)C1 70503022 169273638 /nfs/dbraw/zinc/27/36/38/169273638.db2.gz OBNQJGTVWYXSRP-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@H]1CCC[C@@H]1[N@H+](CCO)C1CC1 42480548 169273713 /nfs/dbraw/zinc/27/37/13/169273713.db2.gz UWSOFVFGAHPWBU-UWVGGRQHSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@H]1CCC[C@@H]1[N@@H+](CCO)C1CC1 42480548 169273715 /nfs/dbraw/zinc/27/37/15/169273715.db2.gz UWSOFVFGAHPWBU-UWVGGRQHSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@H]1CCC[C@@H]1[NH+]1CCC(CO)CC1 40988721 169273810 /nfs/dbraw/zinc/27/38/10/169273810.db2.gz ZLJAPBSEHXWRFN-QWRGUYRKSA-N 1 3 198.310 0.571 10 0 ACAEHO N[C@H]1CCC[C@H]1[NH+]1CCC(CO)CC1 40988716 169273823 /nfs/dbraw/zinc/27/38/23/169273823.db2.gz ZLJAPBSEHXWRFN-WDEREUQCSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H]1CN1CCC(O)CC1 53860607 169273873 /nfs/dbraw/zinc/27/38/73/169273873.db2.gz WEDUBMFCHZJLER-KOLCDFICSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](CN2CCOCC2)C1 70503023 169273928 /nfs/dbraw/zinc/27/39/28/169273928.db2.gz OBNQJGTVWYXSRP-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+][C@H]1CCC[C@H]1CN1CCCOCC1 61934708 169273963 /nfs/dbraw/zinc/27/39/63/169273963.db2.gz VEFXHNWVRSOSHJ-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+][C@H]1CCN([C@@H]2CCN(C3CC3)C2)C1 44725400 169274224 /nfs/dbraw/zinc/27/42/24/169274224.db2.gz CTYNTGWPGNVZGI-GXSJLCMTSA-N 1 3 195.310 0.256 10 0 ACAEHO N[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 300368836 169274386 /nfs/dbraw/zinc/27/43/86/169274386.db2.gz UNUWWTQVLWXDBT-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 300368836 169274388 /nfs/dbraw/zinc/27/43/88/169274388.db2.gz UNUWWTQVLWXDBT-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 223637730 169274616 /nfs/dbraw/zinc/27/46/16/169274616.db2.gz UNUWWTQVLWXDBT-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO N[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 223637730 169274617 /nfs/dbraw/zinc/27/46/17/169274617.db2.gz UNUWWTQVLWXDBT-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@H]1CCN2CCC[C@@H]1C2 34583196 169275096 /nfs/dbraw/zinc/27/50/96/169275096.db2.gz VIZAZBTVZGLWCG-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO N[C@H]1CC[C@@H]2CCCC[N@@H+]2C1 75541972 169275492 /nfs/dbraw/zinc/27/54/92/169275492.db2.gz DONKTPZXJJDKRZ-IUCAKERBSA-N 1 3 154.257 0.962 10 0 ACAEHO N[C@H]1CC[C@@H]2CCCC[N@H+]2C1 75541972 169275493 /nfs/dbraw/zinc/27/54/93/169275493.db2.gz DONKTPZXJJDKRZ-IUCAKERBSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+][C@H]1CNCC[C@@H]1C1CC1 95932487 169277167 /nfs/dbraw/zinc/27/71/67/169277167.db2.gz HCYAGIXAZXQSEC-SFYZADRCSA-N 1 3 140.230 0.333 10 0 ACAEHO [NH3+][C@H]1CNCC[C@H]1C1CC1 211293239 169277341 /nfs/dbraw/zinc/27/73/41/169277341.db2.gz HCYAGIXAZXQSEC-YUMQZZPRSA-N 1 3 140.230 0.333 10 0 ACAEHO N[C@H]1CS[C@@H]([NH3+])CS1 95922251 169277612 /nfs/dbraw/zinc/27/76/12/169277612.db2.gz FNOBMVRYCUNTQL-QWWZWVQMSA-N 1 3 150.272 0.036 10 0 ACAEHO [NH3+][C@H]1C[C@@H]1Nc1ccncc1 36267799 169278480 /nfs/dbraw/zinc/27/84/80/169278480.db2.gz VAEONIILKGIOEB-YUMQZZPRSA-N 1 3 149.197 0.593 10 0 ACAEHO [NH3+][C@H]1C[C@H]1Nc1ccncc1 36267798 169280203 /nfs/dbraw/zinc/28/02/03/169280203.db2.gz VAEONIILKGIOEB-JGVFFNPUSA-N 1 3 149.197 0.593 10 0 ACAEHO [NH3+]C[C@H]1COC[C@@H]1N1CCCC1 82400828 169217255 /nfs/dbraw/zinc/21/72/55/169217255.db2.gz BUNIXFGMOYXUIB-IUCAKERBSA-N 1 3 170.256 0.056 10 0 ACAEHO [NH3+]C[C@H]1COC[C@H]1N1CCCC1 82400827 169217283 /nfs/dbraw/zinc/21/72/83/169217283.db2.gz BUNIXFGMOYXUIB-DTWKUNHWSA-N 1 3 170.256 0.056 10 0 ACAEHO NC[C@H]1C[NH2+]C[C@@H]1c1ccccc1 34234266 169217345 /nfs/dbraw/zinc/21/73/45/169217345.db2.gz VKZYUJLRUDASSY-WDEREUQCSA-N 1 3 176.263 0.948 10 0 ACAEHO NC[C@H]1COCC[C@H]1[NH+]1CCCC1 82393020 169217377 /nfs/dbraw/zinc/21/73/77/169217377.db2.gz YHBJWNMAIRFFCM-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO NC[C@H]1C[C@H]2CCC[N@@H+]2C1 18425550 169217383 /nfs/dbraw/zinc/21/73/83/169217383.db2.gz JMJPYUVGRZPVHG-HTQZYQBOSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@H]1C[C@H]2CCC[N@H+]2C1 18425550 169217385 /nfs/dbraw/zinc/21/73/85/169217385.db2.gz JMJPYUVGRZPVHG-HTQZYQBOSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@H]1C[NH2+]C[C@H]1c1ccccc1 34234265 169217393 /nfs/dbraw/zinc/21/73/93/169217393.db2.gz VKZYUJLRUDASSY-QWRGUYRKSA-N 1 3 176.263 0.948 10 0 ACAEHO NC[C@H]1C[C@@H]2CCC[N@@H+]2C1 18425548 169217552 /nfs/dbraw/zinc/21/75/52/169217552.db2.gz JMJPYUVGRZPVHG-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@H]1C[C@@H]2CCC[N@H+]2C1 18425548 169217553 /nfs/dbraw/zinc/21/75/53/169217553.db2.gz JMJPYUVGRZPVHG-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO NC[C@H]1COCC[C@@H]1[NH+]1CCCC1 82393021 169217618 /nfs/dbraw/zinc/21/76/18/169217618.db2.gz YHBJWNMAIRFFCM-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO C1CCN(C[C@@H]2C[NH2+]CCS2)C1 143658785 344020846 /nfs/dbraw/zinc/02/08/46/344020846.db2.gz ZIRBFTJFVBBISY-VIFPVBQESA-N 1 3 186.324 0.787 10 0 ACAEHO F[C@@H]1C[NH2+]C[C@@H]1CNC1CC1 38301510 171021220 /nfs/dbraw/zinc/02/12/20/171021220.db2.gz QZFXTAVCZYQMQZ-HTRCEHHLSA-N 1 3 158.220 0.296 10 0 ACAEHO CN(C)CCOC(C)(C)C[NH3+] 17619548 171031819 /nfs/dbraw/zinc/03/18/19/171031819.db2.gz NFHVPVWUNOTWKN-UHFFFAOYSA-N 1 3 160.261 0.302 10 0 ACAEHO C1C[NH2+]CCCN(C2CC2)C1 17943402 171033081 /nfs/dbraw/zinc/03/30/81/171033081.db2.gz TYVRUGJMBKZDCA-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO C1CNCCC[NH+](C2CC2)C1 17943402 171033082 /nfs/dbraw/zinc/03/30/82/171033082.db2.gz TYVRUGJMBKZDCA-UHFFFAOYSA-N 1 3 154.257 0.834 10 0 ACAEHO CN1CCC([NH2+]CCCN)CC1 37713098 171037290 /nfs/dbraw/zinc/03/72/90/171037290.db2.gz CLLMYTIKEVCSNP-UHFFFAOYSA-N 1 3 171.288 0.019 10 0 ACAEHO [NH3+]C1CCN([C@@H]2CCSC2)CC1 20521637 171039975 /nfs/dbraw/zinc/03/99/75/171039975.db2.gz WLEGAICMEFUGLL-SECBINFHSA-N 1 3 186.324 0.915 10 0 ACAEHO [NH3+]C1CCN([C@H]2CCSC2)CC1 20521638 171040346 /nfs/dbraw/zinc/04/03/46/171040346.db2.gz WLEGAICMEFUGLL-VIFPVBQESA-N 1 3 186.324 0.915 10 0 ACAEHO C[NH+](C)[C@@H](CCN)C1CC1 23810717 171043502 /nfs/dbraw/zinc/04/35/02/171043502.db2.gz CSQADVYWRZPXIO-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)[C@@H](CC[NH3+])C1CC1 23810717 171043506 /nfs/dbraw/zinc/04/35/06/171043506.db2.gz CSQADVYWRZPXIO-QMMMGPOBSA-N 1 3 142.246 0.675 10 0 ACAEHO CN1CCC(O)(C[NH2+]C2CC2)CC1 32007775 171049232 /nfs/dbraw/zinc/04/92/32/171049232.db2.gz GEDASNVSADYDRR-UHFFFAOYSA-N 1 3 184.283 0.195 10 0 ACAEHO CN1CCC(N(C)[C@H]2CC[NH2+]C2)CC1 33426981 171051216 /nfs/dbraw/zinc/05/12/16/171051216.db2.gz BQBZXRDUYMTEDE-NSHDSACASA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC(N(C)[C@@H]2CC[NH2+]C2)CC1 33426980 171051715 /nfs/dbraw/zinc/05/17/15/171051715.db2.gz BQBZXRDUYMTEDE-LLVKDONJSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC(NC2=[NH+]CCS2)CC1 37267707 171063018 /nfs/dbraw/zinc/06/30/18/171063018.db2.gz QWOHQXFCPFCAQN-UHFFFAOYSA-N 1 3 199.323 0.773 10 0 ACAEHO CN1CCC([N@@H+]2CC[C@@H](CN)C2)CC1 37267502 171063062 /nfs/dbraw/zinc/06/30/62/171063062.db2.gz JPLNEPCOGFPVSR-JTQLQIEISA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCC([N@H+]2CC[C@@H](CN)C2)CC1 37267502 171063064 /nfs/dbraw/zinc/06/30/64/171063064.db2.gz JPLNEPCOGFPVSR-JTQLQIEISA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCC([N@@H+]2CC[C@H](CN)C2)CC1 37267501 171063284 /nfs/dbraw/zinc/06/32/84/171063284.db2.gz JPLNEPCOGFPVSR-SNVBAGLBSA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCC([N@H+]2CC[C@H](CN)C2)CC1 37267501 171063285 /nfs/dbraw/zinc/06/32/85/171063285.db2.gz JPLNEPCOGFPVSR-SNVBAGLBSA-N 1 3 197.326 0.361 10 0 ACAEHO CN(C)CCOCC(C)(C)[NH3+] 70837914 171063338 /nfs/dbraw/zinc/06/33/38/171063338.db2.gz LNDYIEVJDIGYFJ-UHFFFAOYSA-N 1 3 160.261 0.302 10 0 ACAEHO CN1CCC([NH2+]C2CCNCC2)CC1 38040840 171067749 /nfs/dbraw/zinc/06/77/49/171067749.db2.gz GYZMTQIHTUWRAZ-UHFFFAOYSA-N 1 3 197.326 0.422 10 0 ACAEHO OCC1(N2CCC[NH2+]CC2)CCCC1 38117238 171068821 /nfs/dbraw/zinc/06/88/21/171068821.db2.gz KXEZTPLSHSCXQU-UHFFFAOYSA-N 1 3 198.310 0.587 10 0 ACAEHO N[C@@]1(C[NH3+])CC2CCC1CC2 39091070 171075093 /nfs/dbraw/zinc/07/50/93/171075093.db2.gz ZTPQAJOVDWVMSP-AMDVSUOASA-N 1 3 154.257 0.853 10 0 ACAEHO C[N@@H+]1CCCCNCC1 39189658 171077067 /nfs/dbraw/zinc/07/70/67/171077067.db2.gz PAAPABZWHJCWPH-UHFFFAOYSA-N 1 3 128.219 0.302 10 0 ACAEHO C[N@H+]1CCCCNCC1 39189658 171077069 /nfs/dbraw/zinc/07/70/69/171077069.db2.gz PAAPABZWHJCWPH-UHFFFAOYSA-N 1 3 128.219 0.302 10 0 ACAEHO CN1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 43327471 171087191 /nfs/dbraw/zinc/08/71/91/171087191.db2.gz UVHSRZNNIHRNJV-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H]([NH2+][C@@H]2CCCNC2)C1 43327471 171087194 /nfs/dbraw/zinc/08/71/94/171087194.db2.gz UVHSRZNNIHRNJV-GHMZBOCLSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC([NH2+][C@@H]2CCCNC2)CC1 43325423 171087233 /nfs/dbraw/zinc/08/72/33/171087233.db2.gz SBVMOAQIGNROSP-LLVKDONJSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC([NH2+][C@H]2CCCNC2)CC1 43325425 171087428 /nfs/dbraw/zinc/08/74/28/171087428.db2.gz SBVMOAQIGNROSP-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO C1C[NH2+]C[C@@H](NC[C@H]2CCOC2)C1 43327105 171087440 /nfs/dbraw/zinc/08/74/40/171087440.db2.gz MJZTXWGEESOJOY-ZJUUUORDSA-N 1 3 184.283 0.365 10 0 ACAEHO C1C[NH2+]C[C@@H](NC[C@@H]2CCOC2)C1 43327103 171087610 /nfs/dbraw/zinc/08/76/10/171087610.db2.gz MJZTXWGEESOJOY-UWVGGRQHSA-N 1 3 184.283 0.365 10 0 ACAEHO CC(C)=C(CN)C[NH3+] 44248651 171089528 /nfs/dbraw/zinc/08/95/28/171089528.db2.gz SPWOKCRVOMDSAA-UHFFFAOYSA-N 1 3 114.192 0.240 10 0 ACAEHO NCC(=Cc1ccc(O)cc1)C[NH3+] 44249110 171089886 /nfs/dbraw/zinc/08/98/86/171089886.db2.gz LTQJYGAMCHAXBN-UHFFFAOYSA-N 1 3 178.235 0.693 10 0 ACAEHO NCC(=O)Nc1ccccc1C[NH3+] 50285687 171095860 /nfs/dbraw/zinc/09/58/60/171095860.db2.gz JHULGQBQADLNSC-UHFFFAOYSA-N 1 3 179.223 0.043 10 0 ACAEHO CN1CCC([N@H+](C)C(C)(C)CN)CC1 50279972 171095937 /nfs/dbraw/zinc/09/59/37/171095937.db2.gz OKDHXGNIHXYFHE-UHFFFAOYSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CCC([N@@H+](C)C(C)(C)CN)CC1 50279972 171095939 /nfs/dbraw/zinc/09/59/39/171095939.db2.gz OKDHXGNIHXYFHE-UHFFFAOYSA-N 1 3 199.342 0.750 10 0 ACAEHO [NH3+]CC1(NC2CC2)CCSCC1 50271376 171096107 /nfs/dbraw/zinc/09/61/07/171096107.db2.gz FTQUBCVJGHIYIY-UHFFFAOYSA-N 1 3 186.324 0.963 10 0 ACAEHO [NH3+]CC1(NC2CC2)CCOCC1 50271331 171096223 /nfs/dbraw/zinc/09/62/23/171096223.db2.gz NYRNBJJWCBJFOH-UHFFFAOYSA-N 1 3 170.256 0.246 10 0 ACAEHO NC[C@]1(C[NH+]2CCCC2)CCOC1 51208045 171096761 /nfs/dbraw/zinc/09/67/61/171096761.db2.gz YSQFPYYKSAZZBX-JTQLQIEISA-N 1 3 184.283 0.448 10 0 ACAEHO NC[C@@]1(C[NH+]2CCCC2)CCOC1 51208042 171096783 /nfs/dbraw/zinc/09/67/83/171096783.db2.gz YSQFPYYKSAZZBX-SNVBAGLBSA-N 1 3 184.283 0.448 10 0 ACAEHO [NH3+]C[C@]1(CN2CCCCC2)CCOC1 51211072 171096853 /nfs/dbraw/zinc/09/68/53/171096853.db2.gz QJVIGHDRZAPJMQ-NSHDSACASA-N 1 3 198.310 0.838 10 0 ACAEHO [NH3+]C[C@@]1(CN2CCCCC2)CCOC1 51211070 171096975 /nfs/dbraw/zinc/09/69/75/171096975.db2.gz QJVIGHDRZAPJMQ-LLVKDONJSA-N 1 3 198.310 0.838 10 0 ACAEHO CN1CCC(NC(=[NH2+])NC2CC2)CC1 52041632 171098130 /nfs/dbraw/zinc/09/81/30/171098130.db2.gz OJYURZZOVODFDW-UHFFFAOYSA-N 1 3 196.298 0.357 10 0 ACAEHO CN1CCC[C@@H](N(C)[C@@H]2CC[NH2+]C2)C1 53245382 171098775 /nfs/dbraw/zinc/09/87/75/171098775.db2.gz ZFVZXKLKIJTWPU-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@@H](N(C)CC(C)(C)[NH3+])C1 53247494 171098884 /nfs/dbraw/zinc/09/88/84/171098884.db2.gz WXJSAJBVGJJPBK-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CN1CCC[C@@H](N(C)C(C)(C)C[NH3+])C1 53244641 171098942 /nfs/dbraw/zinc/09/89/42/171098942.db2.gz BDPFNCZFQUPMCC-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C1CNCCC[NH+](C[C@H]2CCOC2)C1 61148156 171102235 /nfs/dbraw/zinc/10/22/35/171102235.db2.gz DEDXNAGDIZPZRS-LLVKDONJSA-N 1 3 198.310 0.708 10 0 ACAEHO C1C[NH2+]CCCN(C[C@H]2CCOC2)C1 61148156 171102236 /nfs/dbraw/zinc/10/22/36/171102236.db2.gz DEDXNAGDIZPZRS-LLVKDONJSA-N 1 3 198.310 0.708 10 0 ACAEHO C1CNCCC[NH+](C[C@@H]2CCOC2)C1 61148155 171102330 /nfs/dbraw/zinc/10/23/30/171102330.db2.gz DEDXNAGDIZPZRS-NSHDSACASA-N 1 3 198.310 0.708 10 0 ACAEHO C1C[NH2+]CCCN(C[C@@H]2CCOC2)C1 61148155 171102331 /nfs/dbraw/zinc/10/23/31/171102331.db2.gz DEDXNAGDIZPZRS-NSHDSACASA-N 1 3 198.310 0.708 10 0 ACAEHO C1CO[C@H](CNC[C@H]2CCC[NH2+]C2)C1 40410168 171104062 /nfs/dbraw/zinc/10/40/62/171104062.db2.gz QAZDZLXIMLHKOD-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNC[C@@H](C[NH2+]C[C@@H]2CCCO2)C1 40410168 171104063 /nfs/dbraw/zinc/10/40/63/171104063.db2.gz QAZDZLXIMLHKOD-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C1C[NH2+]C[C@@H](CNC[C@H]2CCCO2)C1 40410176 171104166 /nfs/dbraw/zinc/10/41/66/171104166.db2.gz QAZDZLXIMLHKOD-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNC[C@@H](C[NH2+]C[C@H]2CCCO2)C1 40410176 171104167 /nfs/dbraw/zinc/10/41/67/171104167.db2.gz QAZDZLXIMLHKOD-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO NCC(C[NH3+])c1ccncc1 71495420 171107073 /nfs/dbraw/zinc/10/70/73/171107073.db2.gz LQEQUMYORXLSSR-UHFFFAOYSA-N 1 3 151.213 0.083 10 0 ACAEHO NCC(C[NH3+])c1cccnc1 71495419 171107400 /nfs/dbraw/zinc/10/74/00/171107400.db2.gz NUYNMDRGOPISOY-UHFFFAOYSA-N 1 3 151.213 0.083 10 0 ACAEHO NCC(C[NH3+])c1ccco1 71495280 171107506 /nfs/dbraw/zinc/10/75/06/171107506.db2.gz VTSKHOCTJBWLAN-UHFFFAOYSA-N 1 3 140.186 0.281 10 0 ACAEHO NCC(C[NH3+])c1cccs1 71495590 171107530 /nfs/dbraw/zinc/10/75/30/171107530.db2.gz HLPGVBACSZOAPV-UHFFFAOYSA-N 1 3 156.254 0.749 10 0 ACAEHO Cc1ccccc1C(CN)C[NH3+] 71495803 171107763 /nfs/dbraw/zinc/10/77/63/171107763.db2.gz YZTFHMNALWOQOV-UHFFFAOYSA-N 1 3 164.252 0.996 10 0 ACAEHO NCC(C[NH3+])c1ccccc1F 71496264 171107820 /nfs/dbraw/zinc/10/78/20/171107820.db2.gz KZKLBXFOMPLVIN-UHFFFAOYSA-N 1 3 168.215 0.827 10 0 ACAEHO NCC(C[NH3+])c1cccc(F)c1 71496266 171107994 /nfs/dbraw/zinc/10/79/94/171107994.db2.gz GLXRDEAVGBGSOF-UHFFFAOYSA-N 1 3 168.215 0.827 10 0 ACAEHO CC[NH+](CC)[C@@H](CN)CN(C)C 76580394 171117300 /nfs/dbraw/zinc/11/73/00/171117300.db2.gz CHNQDUPZPGCGQE-VIFPVBQESA-N 1 3 173.304 0.217 10 0 ACAEHO CCN(CC)[C@@H](CN)C[NH+]1CCCC1 76582694 171117386 /nfs/dbraw/zinc/11/73/86/171117386.db2.gz REGFVLOTDFGSJM-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CCN(CC)[C@@H](C[NH3+])CN1CCCC1 76582694 171117388 /nfs/dbraw/zinc/11/73/88/171117388.db2.gz REGFVLOTDFGSJM-NSHDSACASA-N 1 3 199.342 0.751 10 0 ACAEHO CN1CCC[C@@H](C[C@H](O)C[NH3+])C1 76599467 171117944 /nfs/dbraw/zinc/11/79/44/171117944.db2.gz JWWOJJTYPDHABN-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CCC([N@@H+]2CCC[C@@H]2CN)CC1 82638200 171124530 /nfs/dbraw/zinc/12/45/30/171124530.db2.gz SZEHAWIUDYOXFK-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC([N@H+]2CCC[C@@H]2CN)CC1 82638200 171124531 /nfs/dbraw/zinc/12/45/31/171124531.db2.gz SZEHAWIUDYOXFK-LLVKDONJSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC([N@@H+]2CCC[C@H]2CN)CC1 82638201 171124954 /nfs/dbraw/zinc/12/49/54/171124954.db2.gz SZEHAWIUDYOXFK-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC([N@H+]2CCC[C@H]2CN)CC1 82638201 171124957 /nfs/dbraw/zinc/12/49/57/171124957.db2.gz SZEHAWIUDYOXFK-NSHDSACASA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@@H+]1CCC2(CCN(CCO)CC2)C1 95075621 171135342 /nfs/dbraw/zinc/13/53/42/171135342.db2.gz ZSDLXNNUSSKIPT-UHFFFAOYSA-N 1 3 198.310 0.396 10 0 ACAEHO C[N@H+]1CCC2(CCN(CCO)CC2)C1 95075621 171135344 /nfs/dbraw/zinc/13/53/44/171135344.db2.gz ZSDLXNNUSSKIPT-UHFFFAOYSA-N 1 3 198.310 0.396 10 0 ACAEHO OCC[C@@H](NC1CC1)[C@@H]1CCC[NH2+]C1 95078800 171135428 /nfs/dbraw/zinc/13/54/28/171135428.db2.gz YCKGHLZNCIPWRF-MWLCHTKSSA-N 1 3 198.310 0.489 10 0 ACAEHO OCC[C@@H]([NH2+]C1CC1)[C@@H]1CCCNC1 95078800 171135429 /nfs/dbraw/zinc/13/54/29/171135429.db2.gz YCKGHLZNCIPWRF-MWLCHTKSSA-N 1 3 198.310 0.489 10 0 ACAEHO OCC[C@@H](NC1CC1)[C@H]1CCC[NH2+]C1 95078799 171135450 /nfs/dbraw/zinc/13/54/50/171135450.db2.gz YCKGHLZNCIPWRF-GXSJLCMTSA-N 1 3 198.310 0.489 10 0 ACAEHO OCC[C@@H]([NH2+]C1CC1)[C@H]1CCCNC1 95078799 171135453 /nfs/dbraw/zinc/13/54/53/171135453.db2.gz YCKGHLZNCIPWRF-GXSJLCMTSA-N 1 3 198.310 0.489 10 0 ACAEHO NCC1=N[C@H](C[NH3+])CC(OC2CC2)=C1 95737808 171138205 /nfs/dbraw/zinc/13/82/05/171138205.db2.gz JZRMBJKGIXBOSA-QMMMGPOBSA-N 1 3 195.266 0.180 10 0 ACAEHO NCC1=N[C@@H](C[NH3+])CC(OC2CC2)=C1 95737809 171138220 /nfs/dbraw/zinc/13/82/20/171138220.db2.gz JZRMBJKGIXBOSA-MRVPVSSYSA-N 1 3 195.266 0.180 10 0 ACAEHO C/C=C\C[C@H](N)C[NH3+] 95804006 171139830 /nfs/dbraw/zinc/13/98/30/171139830.db2.gz HMGQJWFSUZCAIU-GFNSNHMOSA-N 1 3 114.192 0.239 10 0 ACAEHO C/C=C\C[C@@H](N)C[NH3+] 95804007 171139943 /nfs/dbraw/zinc/13/99/43/171139943.db2.gz HMGQJWFSUZCAIU-VROIDLATSA-N 1 3 114.192 0.239 10 0 ACAEHO F[C@@H]1C[NH2+]C[C@H]1CNC1CC1 59649776 171139964 /nfs/dbraw/zinc/13/99/64/171139964.db2.gz QZFXTAVCZYQMQZ-POYBYMJQSA-N 1 3 158.220 0.296 10 0 ACAEHO C1C[NH2+]C[C@@H](NCCN2CCCC2)C1 43324664 171150763 /nfs/dbraw/zinc/15/07/63/171150763.db2.gz HJIYVOOKAJPCEX-NSHDSACASA-N 1 3 197.326 0.424 10 0 ACAEHO C[N@@H+]1CCCC[C@H]1CCNCCO 49750608 171154137 /nfs/dbraw/zinc/15/41/37/171154137.db2.gz TYGQEZWWMHXUCI-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[N@H+]1CCCC[C@H]1CCNCCO 49750608 171154138 /nfs/dbraw/zinc/15/41/38/171154138.db2.gz TYGQEZWWMHXUCI-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO C[N@@H+]1CCCC[C@@H]1CCNCCO 49750606 171154511 /nfs/dbraw/zinc/15/45/11/171154511.db2.gz TYGQEZWWMHXUCI-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO C[N@H+]1CCCC[C@@H]1CCNCCO 49750606 171154514 /nfs/dbraw/zinc/15/45/14/171154514.db2.gz TYGQEZWWMHXUCI-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CC(=O)CCCN1CC[C@H](C[NH3+])C1 50250115 171155448 /nfs/dbraw/zinc/15/54/48/171155448.db2.gz IICKAQIDXFXPHD-SNVBAGLBSA-N 1 3 184.283 0.636 10 0 ACAEHO CC(=O)CCCN1CC[C@@H](C[NH3+])C1 50250117 171155465 /nfs/dbraw/zinc/15/54/65/171155465.db2.gz IICKAQIDXFXPHD-JTQLQIEISA-N 1 3 184.283 0.636 10 0 ACAEHO [NH3+]C1CCN(CCCCCO)CC1 51019519 171158225 /nfs/dbraw/zinc/15/82/25/171158225.db2.gz KUAJKEITZFBAQS-UHFFFAOYSA-N 1 3 186.299 0.572 10 0 ACAEHO CN(C)CCOC[C@@H]1CCCC[NH2+]1 51815998 171160726 /nfs/dbraw/zinc/16/07/26/171160726.db2.gz BZTIQFPOXQJJMV-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CN(C)CCOC[C@H]1CCC[NH2+]1 51816505 171160920 /nfs/dbraw/zinc/16/09/20/171160920.db2.gz ADSZAOLYAJLRGT-SECBINFHSA-N 1 3 172.272 0.317 10 0 ACAEHO CN(C)CCOC[C@@H]1CCC[NH2+]1 51816504 171161046 /nfs/dbraw/zinc/16/10/46/171161046.db2.gz ADSZAOLYAJLRGT-VIFPVBQESA-N 1 3 172.272 0.317 10 0 ACAEHO CN(C)CCOC[C@@H]1CC[NH2+]C1 51888444 171161093 /nfs/dbraw/zinc/16/10/93/171161093.db2.gz OHZSIBYDSKDKIV-SECBINFHSA-N 1 3 172.272 0.174 10 0 ACAEHO CN(C)CCOC[C@H]1CCCC[NH2+]1 51815999 171161267 /nfs/dbraw/zinc/16/12/67/171161267.db2.gz BZTIQFPOXQJJMV-SNVBAGLBSA-N 1 3 186.299 0.707 10 0 ACAEHO CN(C)CCOC[C@H]1CC[NH2+]C1 51888445 171161550 /nfs/dbraw/zinc/16/15/50/171161550.db2.gz OHZSIBYDSKDKIV-VIFPVBQESA-N 1 3 172.272 0.174 10 0 ACAEHO C[NH+](C)CCOCc1occc1CN 52669599 171162271 /nfs/dbraw/zinc/16/22/71/171162271.db2.gz ZJINHZSVPGGJTG-UHFFFAOYSA-N 1 3 198.266 0.817 10 0 ACAEHO O[C@@H](CNC1CCC1)C[NH+]1CCCC1 52209873 171162375 /nfs/dbraw/zinc/16/23/75/171162375.db2.gz PRKPXPYUNBDCJF-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CCC[C@@H](N(C)CCC[NH3+])C1 53205829 171164645 /nfs/dbraw/zinc/16/46/45/171164645.db2.gz IDLARUCQUBLUEK-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CN1CCC(N(C)CCC(N)=[NH2+])CC1 19511936 171168078 /nfs/dbraw/zinc/16/80/78/171168078.db2.gz RKEWOSZDVZMYBP-UHFFFAOYSA-N 1 3 198.314 0.338 10 0 ACAEHO C[NH+]1CCC2(CC1)CSCCN2 82391936 171169330 /nfs/dbraw/zinc/16/93/30/171169330.db2.gz RCHHXNQUIZBCND-UHFFFAOYSA-N 1 3 186.324 0.787 10 0 ACAEHO CN1CCC2(CC1)CSCC[NH2+]2 82391936 171169331 /nfs/dbraw/zinc/16/93/31/171169331.db2.gz RCHHXNQUIZBCND-UHFFFAOYSA-N 1 3 186.324 0.787 10 0 ACAEHO CN1CCC2(CC1)C[NH2+]CC[C@H]2O 82393077 171169977 /nfs/dbraw/zinc/16/99/77/171169977.db2.gz NPVDDTLFNLAEAH-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO CN1CCOC[C@@H]1C1CC[NH2+]CC1 82393085 171170051 /nfs/dbraw/zinc/17/00/51/171170051.db2.gz WETFQZDHGORVLS-SNVBAGLBSA-N 1 3 184.283 0.317 10 0 ACAEHO C[NH+]1CCC([C@@H]2CNCCO2)CC1 82393040 171170060 /nfs/dbraw/zinc/17/00/60/171170060.db2.gz VQZWQJMBQQSKMB-JTQLQIEISA-N 1 3 184.283 0.317 10 0 ACAEHO CN1CCC([C@H]2[NH2+]CC[C@H]2O)CC1 82393062 171170160 /nfs/dbraw/zinc/17/01/60/171170160.db2.gz GJTJZBZFOHMMDX-NXEZZACHSA-N 1 3 184.283 0.051 10 0 ACAEHO CN1CCOC[C@H]1C1CC[NH2+]CC1 82393086 171170274 /nfs/dbraw/zinc/17/02/74/171170274.db2.gz WETFQZDHGORVLS-JTQLQIEISA-N 1 3 184.283 0.317 10 0 ACAEHO CN1CCC([C@H]2[NH2+]CC[C@@H]2O)CC1 82393064 171170299 /nfs/dbraw/zinc/17/02/99/171170299.db2.gz GJTJZBZFOHMMDX-VHSXEESVSA-N 1 3 184.283 0.051 10 0 ACAEHO CN1CCC2(CC1)C[NH2+]CC[C@@H]2O 82393076 171170345 /nfs/dbraw/zinc/17/03/45/171170345.db2.gz NPVDDTLFNLAEAH-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO C[NH+]1CCC([C@H]2CNCCO2)CC1 82393041 171170438 /nfs/dbraw/zinc/17/04/38/171170438.db2.gz VQZWQJMBQQSKMB-SNVBAGLBSA-N 1 3 184.283 0.317 10 0 ACAEHO CN1CCC([C@@H]2[NH2+]CC[C@H]2O)CC1 82393063 171170445 /nfs/dbraw/zinc/17/04/45/171170445.db2.gz GJTJZBZFOHMMDX-ZJUUUORDSA-N 1 3 184.283 0.051 10 0 ACAEHO CN1CCC([C@@H]2[NH2+]CC[C@@H]2O)CC1 82393065 171170449 /nfs/dbraw/zinc/17/04/49/171170449.db2.gz GJTJZBZFOHMMDX-UWVGGRQHSA-N 1 3 184.283 0.051 10 0 ACAEHO CN1CCCC[C@H]1C[NH2+]CCN 54242831 171172317 /nfs/dbraw/zinc/17/23/17/171172317.db2.gz KUNOSXUMWYWEMA-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO CN1CCCC[C@H]1CNCC[NH3+] 54242831 171172318 /nfs/dbraw/zinc/17/23/18/171172318.db2.gz KUNOSXUMWYWEMA-VIFPVBQESA-N 1 3 171.288 0.019 10 0 ACAEHO CN1CCCC[C@@H]1C[NH2+]CCN 54242830 171172455 /nfs/dbraw/zinc/17/24/55/171172455.db2.gz KUNOSXUMWYWEMA-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO CN1CCCC[C@@H]1CNCC[NH3+] 54242830 171172456 /nfs/dbraw/zinc/17/24/56/171172456.db2.gz KUNOSXUMWYWEMA-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO [NH3+]C1CCN(CCc2cc[nH]c2)CC1 82530750 171172823 /nfs/dbraw/zinc/17/28/23/171172823.db2.gz XIVNPCHLUUGVKZ-UHFFFAOYSA-N 1 3 193.294 0.980 10 0 ACAEHO CN1CCc2c(sc(N)c2C[NH3+])C1 82638186 171174183 /nfs/dbraw/zinc/17/41/83/171174183.db2.gz IWZCBXQALVYSQY-UHFFFAOYSA-N 1 3 197.307 0.777 10 0 ACAEHO CN1CCC([C@@](C)(O)C[NH3+])CC1 82867921 171176129 /nfs/dbraw/zinc/17/61/29/171176129.db2.gz NNMIDHXVZUSUQC-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CCC([C@](C)(O)C[NH3+])CC1 82873957 171176200 /nfs/dbraw/zinc/17/62/00/171176200.db2.gz NNMIDHXVZUSUQC-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CCC([C@H](O)CC[NH3+])CC1 82867918 171176635 /nfs/dbraw/zinc/17/66/35/171176635.db2.gz IAOHPBFLXKOGKY-SECBINFHSA-N 1 3 172.272 0.038 10 0 ACAEHO CN1CCC([C@@H](O)CC[NH3+])CC1 82867919 171176735 /nfs/dbraw/zinc/17/67/35/171176735.db2.gz IAOHPBFLXKOGKY-VIFPVBQESA-N 1 3 172.272 0.038 10 0 ACAEHO CN(C)CCOC1CCC([NH3+])CC1 55143156 171179635 /nfs/dbraw/zinc/17/96/35/171179635.db2.gz BNHPVLGAADHKIG-UHFFFAOYSA-N 1 3 186.299 0.835 10 0 ACAEHO C1CNC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 61147467 171185012 /nfs/dbraw/zinc/18/50/12/171185012.db2.gz CZLGRMXCGBYIQJ-WDEREUQCSA-N 1 3 198.310 0.612 10 0 ACAEHO C1CNC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 61147465 171185045 /nfs/dbraw/zinc/18/50/45/171185045.db2.gz CZLGRMXCGBYIQJ-QWRGUYRKSA-N 1 3 198.310 0.612 10 0 ACAEHO NCC(C[NH3+])c1ccccn1 71495418 171185541 /nfs/dbraw/zinc/18/55/41/171185541.db2.gz MJZDBQHWOSMTDT-UHFFFAOYSA-N 1 3 151.213 0.083 10 0 ACAEHO NCC(C[NH3+])c1ccc2c(c1)OCO2 71506734 171185920 /nfs/dbraw/zinc/18/59/20/171185920.db2.gz DBYKLIWPAVWPHD-UHFFFAOYSA-N 1 3 194.234 0.416 10 0 ACAEHO C1CN=C(N2CC[NH2+]CC2)C1 73712310 171186455 /nfs/dbraw/zinc/18/64/55/171186455.db2.gz XECRUQBCTBELIH-UHFFFAOYSA-N 1 3 153.229 0.084 10 0 ACAEHO [NH3+]C1CCN(C2CCC(=O)CC2)CC1 253573586 171187413 /nfs/dbraw/zinc/18/74/13/171187413.db2.gz ROZYDJSSXKRQHX-UHFFFAOYSA-N 1 3 196.294 0.921 10 0 ACAEHO NCC(C[NH3+])Cc1ccccn1 107549222 171215555 /nfs/dbraw/zinc/21/55/55/171215555.db2.gz JLLHIJGDANUHOU-UHFFFAOYSA-N 1 3 165.240 0.158 10 0 ACAEHO F[C@@H]1CNCC[C@@H]1C1CC[NH2+]CC1 83428724 171223256 /nfs/dbraw/zinc/22/32/56/171223256.db2.gz RBDIEGRPSWQJTA-NXEZZACHSA-N 1 3 186.274 0.934 10 0 ACAEHO F[C@@H]1CNCC[C@H]1C1CC[NH2+]CC1 83428723 171223335 /nfs/dbraw/zinc/22/33/35/171223335.db2.gz RBDIEGRPSWQJTA-VHSXEESVSA-N 1 3 186.274 0.934 10 0 ACAEHO CN(C)CCSC1=[NH+]CCN1 31702470 171225341 /nfs/dbraw/zinc/22/53/41/171225341.db2.gz RIHWDXYOYAYZBU-UHFFFAOYSA-N 1 3 173.285 0.240 10 0 ACAEHO [NH3+][C@H]1CCN2CCC[C@H]1C2 34583198 171225993 /nfs/dbraw/zinc/22/59/93/171225993.db2.gz VIZAZBTVZGLWCG-YUMQZZPRSA-N 1 3 140.230 0.429 10 0 ACAEHO C[C@@H]1C[C@](O)([C@@H]2CCC[NH2+]2)CCN1C 156709196 344094144 /nfs/dbraw/zinc/09/41/44/344094144.db2.gz SWGQGWPZRWCZAZ-VWYCJHECSA-N 1 3 198.310 0.584 10 0 ACAEHO CCN[C@@]1(CO)CC[N@@H+]2CCC[C@@H]2C1 156963278 344098431 /nfs/dbraw/zinc/09/84/31/344098431.db2.gz SAWYLOJQYFPDIZ-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO CCN[C@@]1(CO)CC[N@H+]2CCC[C@@H]2C1 156963278 344098433 /nfs/dbraw/zinc/09/84/33/344098433.db2.gz SAWYLOJQYFPDIZ-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO CC[NH2+][C@@]1(CO)CCN2CCC[C@@H]2C1 156963278 344098434 /nfs/dbraw/zinc/09/84/34/344098434.db2.gz SAWYLOJQYFPDIZ-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@H]1C/C(=C\C[NH3+])CCN1C 157021808 344099520 /nfs/dbraw/zinc/09/95/20/344099520.db2.gz BIXVKGANUAMNSB-CLJBBPMWSA-N 1 3 154.257 0.986 10 0 ACAEHO C[C@@H]1C/C(=C\C[NH3+])CCN1C 157021674 344099532 /nfs/dbraw/zinc/09/95/32/344099532.db2.gz BIXVKGANUAMNSB-MMEMACFNSA-N 1 3 154.257 0.986 10 0 ACAEHO OC[C@H]1CCN(C2CC[NH2+]CC2)C1 157588682 344110201 /nfs/dbraw/zinc/11/02/01/344110201.db2.gz ATDIJOOJEXDMHJ-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@H+](CC2CNC2)C1 157969971 344116913 /nfs/dbraw/zinc/11/69/13/344116913.db2.gz CHVKZMRKGPFWDW-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CNC2)C1 157969971 344116914 /nfs/dbraw/zinc/11/69/14/344116914.db2.gz CHVKZMRKGPFWDW-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[C@@H](C)[N@H+](CC2CNC2)C1 157970116 344116917 /nfs/dbraw/zinc/11/69/17/344116917.db2.gz CHVKZMRKGPFWDW-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[C@@H](C)[N@@H+](CC2CNC2)C1 157970116 344116918 /nfs/dbraw/zinc/11/69/18/344116918.db2.gz CHVKZMRKGPFWDW-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO Nc1ccncc1C1(F)CC([NH3+])C1 158162507 344120645 /nfs/dbraw/zinc/12/06/45/344120645.db2.gz LTSSOBMLFGAHLL-UHFFFAOYSA-N 1 3 181.214 0.950 10 0 ACAEHO C[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCOC1 158491578 344127505 /nfs/dbraw/zinc/12/75/05/344127505.db2.gz OIDFNIZRCODNKJ-NXEZZACHSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]([NH2+]C1CCNCC1)[C@H]1CCOC1 158491713 344127522 /nfs/dbraw/zinc/12/75/22/344127522.db2.gz OIDFNIZRCODNKJ-UWVGGRQHSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1CCOC1 158491427 344127546 /nfs/dbraw/zinc/12/75/46/344127546.db2.gz OIDFNIZRCODNKJ-VHSXEESVSA-N 1 3 198.310 0.753 10 0 ACAEHO C1C[NH2+]CC[C@@H](N[C@@H]2CCOC2)C1 160693271 344174672 /nfs/dbraw/zinc/17/46/72/344174672.db2.gz SZQSKLJRSZFHAR-VHSXEESVSA-N 1 3 184.283 0.507 10 0 ACAEHO C[C@@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 160949443 344181847 /nfs/dbraw/zinc/18/18/47/344181847.db2.gz RNCOWZBTPJOCJB-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO [NH3+]C[C@H]1COCCN1c1ccncc1 161381180 344190451 /nfs/dbraw/zinc/19/04/51/344190451.db2.gz PQRGEMNZIMIYND-JTQLQIEISA-N 1 3 193.250 0.246 10 0 ACAEHO NC[C@@H]1CNCC[N@H+]1C1CCCC1 164656061 344249017 /nfs/dbraw/zinc/24/90/17/344249017.db2.gz LWTPAEKMSWYTKY-SNVBAGLBSA-N 1 3 183.299 0.162 10 0 ACAEHO NC[C@@H]1CNCC[N@H+]1CC1CCC1 164665973 344249151 /nfs/dbraw/zinc/24/91/51/344249151.db2.gz MXIRIRGEQZBECK-SNVBAGLBSA-N 1 3 183.299 0.019 10 0 ACAEHO C[C@@H](CN1CCCN(C)CC1)[C@@H](C)[NH3+] 164974578 344256234 /nfs/dbraw/zinc/25/62/34/344256234.db2.gz KZONLEQOYDDPIW-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO CN1CCC[C@@H](N(C)CC2C[NH2+]C2)C1 165186807 344259587 /nfs/dbraw/zinc/25/95/87/344259587.db2.gz IANMELQLWXSEGP-LLVKDONJSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CCC[C@H](N(C)CC2C[NH2+]C2)C1 165186680 344259627 /nfs/dbraw/zinc/25/96/27/344259627.db2.gz IANMELQLWXSEGP-NSHDSACASA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+][C@H](C)[C@H]1CCCNC1 165943464 344272663 /nfs/dbraw/zinc/27/26/63/344272663.db2.gz SDKFKSOUUGNOHH-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO C1=CCN(C[C@H]2CC[NH2+]C2)CC1 166115303 344275083 /nfs/dbraw/zinc/27/50/83/344275083.db2.gz DHDSWTLNWOVLAW-JTQLQIEISA-N 1 3 166.268 0.858 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCNCC[C@H]1C 167636608 344310190 /nfs/dbraw/zinc/31/01/90/344310190.db2.gz XOUSDIQSFKMBIT-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCNCC[C@H]1C 167636608 344310192 /nfs/dbraw/zinc/31/01/92/344310192.db2.gz XOUSDIQSFKMBIT-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1C[C@@H](C)O 168963192 344340901 /nfs/dbraw/zinc/34/09/01/344340901.db2.gz MAMPVJSKPRKZGQ-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1C[C@@H](C)O 168963026 344340906 /nfs/dbraw/zinc/34/09/06/344340906.db2.gz MAMPVJSKPRKZGQ-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO CN1CC/C(=C/C[NH3+])C1 214890772 344383730 /nfs/dbraw/zinc/38/37/30/344383730.db2.gz ADIDSBTUWKISTI-UQCOIBPSSA-N 1 3 126.203 0.207 10 0 ACAEHO [NH3+]CC1CCN(C2CSC2)CC1 215784437 344392095 /nfs/dbraw/zinc/39/20/95/344392095.db2.gz LIILPDFDYWHJGP-UHFFFAOYSA-N 1 3 186.324 0.773 10 0 ACAEHO N[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H](O)C1 218461833 344412963 /nfs/dbraw/zinc/41/29/63/344412963.db2.gz VBULDIQCQQYYHO-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[C@H]1[N@H+]1CCC[C@@H](O)C1 218461833 344412964 /nfs/dbraw/zinc/41/29/64/344412964.db2.gz VBULDIQCQQYYHO-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO C[N@H+](CC1CC(O)C1)[C@@H]1CC[C@@H](N)C1 223189857 344458139 /nfs/dbraw/zinc/45/81/39/344458139.db2.gz MCYRBTJLMCBVNN-WYNUPADASA-N 1 3 198.310 0.569 10 0 ACAEHO C[N@@H+](CC1CC(O)C1)[C@@H]1CC[C@@H](N)C1 223189857 344458140 /nfs/dbraw/zinc/45/81/40/344458140.db2.gz MCYRBTJLMCBVNN-WYNUPADASA-N 1 3 198.310 0.569 10 0 ACAEHO CN(CC1CC(O)C1)[C@@H]1CC[C@@H]([NH3+])C1 223189857 344458141 /nfs/dbraw/zinc/45/81/41/344458141.db2.gz MCYRBTJLMCBVNN-WYNUPADASA-N 1 3 198.310 0.569 10 0 ACAEHO N[C@@H](C[NH3+])[C@@H]1CCSC1 224496183 344469660 /nfs/dbraw/zinc/46/96/60/344469660.db2.gz SBRYJVAODBWSPB-RITPCOANSA-N 1 3 146.259 0.026 10 0 ACAEHO N[C@H](C[NH3+])[C@H]1CCSC1 224496229 344469721 /nfs/dbraw/zinc/46/97/21/344469721.db2.gz SBRYJVAODBWSPB-NTSWFWBYSA-N 1 3 146.259 0.026 10 0 ACAEHO C[NH+]1CCC(C)(CNC2COC2)CC1 226344104 344500345 /nfs/dbraw/zinc/50/03/45/344500345.db2.gz VYKQVBCVWNGQLB-UHFFFAOYSA-N 1 3 198.310 0.707 10 0 ACAEHO CN([C@@H]1CCOC1)[C@@H]1CC[C@@H]([NH3+])C1 226488581 344504668 /nfs/dbraw/zinc/50/46/68/344504668.db2.gz OJUIETADWPAGRH-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO CN1CCC[C@@H](N2CC[C@@H]([NH3+])C2)C1 226753196 344512358 /nfs/dbraw/zinc/51/23/58/344512358.db2.gz BQBSRMKWEOZOKV-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CCC[C@@H](N(C)[C@H]2CC[NH2+]C2)C1 226726086 344511300 /nfs/dbraw/zinc/51/13/00/344511300.db2.gz ZFVZXKLKIJTWPU-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@H](N2CC[C@@H]([NH3+])C2)C1 226753204 344512303 /nfs/dbraw/zinc/51/23/03/344512303.db2.gz BQBSRMKWEOZOKV-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1CN(C[C@H](C)C2C[NH2+]C2)CCO1 227159141 344523938 /nfs/dbraw/zinc/52/39/38/344523938.db2.gz RYXFXQNTURDDMU-UWVGGRQHSA-N 1 3 198.310 0.563 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CCNCC2)[C@@H]1CO 227216535 344525494 /nfs/dbraw/zinc/52/54/94/344525494.db2.gz ZXFSOKQBGDKBGL-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO OC[C@@H]1CC[N@H+]([C@@H]2CCCNCC2)C1 227272453 344527234 /nfs/dbraw/zinc/52/72/34/344527234.db2.gz RYOKMZBCIMUKQD-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 227484930 344531631 /nfs/dbraw/zinc/53/16/31/344531631.db2.gz QBEHLNUVFAZNBX-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 227484930 344531633 /nfs/dbraw/zinc/53/16/33/344531633.db2.gz QBEHLNUVFAZNBX-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@]1(C[N@@H+]2CC[C@@H](N)C2)CCCO1 227487369 344532259 /nfs/dbraw/zinc/53/22/59/344532259.db2.gz RSGCVQPNDHVJGJ-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@]1(C[N@H+]2CC[C@@H](N)C2)CCCO1 227487369 344532260 /nfs/dbraw/zinc/53/22/60/344532260.db2.gz RSGCVQPNDHVJGJ-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@]1(C[N@H+]2CC[C@@H](CN)C2)CCCO1 227488416 344532298 /nfs/dbraw/zinc/53/22/98/344532298.db2.gz TYQHDXCEXNUOTF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 227554060 344534431 /nfs/dbraw/zinc/53/44/31/344534431.db2.gz QWOPWNBJKYNFEM-SEZDTBSWSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@@](C)(O)C[NH3+])C1 227906215 344549930 /nfs/dbraw/zinc/54/99/30/344549930.db2.gz GTQIMDMWUZDELL-HLTSFMKQSA-N 1 3 172.272 0.084 10 0 ACAEHO C[C@H](CCN)[N@@H+]1C[C@H]2[C@H](O)CC[C@H]2C1 228021393 344555134 /nfs/dbraw/zinc/55/51/34/344555134.db2.gz LLJGDXBXTUZCMK-LMLFDSFASA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 227999018 344554401 /nfs/dbraw/zinc/55/44/01/344554401.db2.gz PGZFWCJKOLXRIA-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CN(C[C@H](C)C[NH3+])CC[C@H]1O 229367995 344593096 /nfs/dbraw/zinc/59/30/96/344593096.db2.gz NJPVYAOETBULCJ-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1C[N@H+](C[C@H](C)CN)CC[C@H]1O 229367995 344593097 /nfs/dbraw/zinc/59/30/97/344593097.db2.gz NJPVYAOETBULCJ-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1C[N@@H+](C[C@H](C)CN)CC[C@H]1O 229367995 344593098 /nfs/dbraw/zinc/59/30/98/344593098.db2.gz NJPVYAOETBULCJ-KXUCPTDWSA-N 1 3 186.299 0.284 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@@H](CN2CC=CCC2)O1 229104659 344582078 /nfs/dbraw/zinc/58/20/78/344582078.db2.gz BNXXKCNKRHZYFU-QWRGUYRKSA-N 1 3 196.294 0.755 10 0 ACAEHO C[C@]1(NC[C@@H]2CCC[C@@H]2[NH3+])CCOC1 229471288 344596709 /nfs/dbraw/zinc/59/67/09/344596709.db2.gz DHEPTDDQJCUOSD-DCAQKATOSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@]1(N2CC[C@@H](C[NH3+])C2)CCOC1 229468009 344596749 /nfs/dbraw/zinc/59/67/49/344596749.db2.gz GPHJPCICSBRVMP-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@]1([N@@H+]2CC[C@@H](CN)C2)CCOC1 229468009 344596750 /nfs/dbraw/zinc/59/67/50/344596750.db2.gz GPHJPCICSBRVMP-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@]1([N@H+]2CC[C@@H](CN)C2)CCOC1 229468009 344596751 /nfs/dbraw/zinc/59/67/51/344596751.db2.gz GPHJPCICSBRVMP-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@]1(C)CCOC1 229467457 344596761 /nfs/dbraw/zinc/59/67/61/344596761.db2.gz XIVTWHKRMSJGTD-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CN[C@@]1(C)CCOC1 229473739 344596843 /nfs/dbraw/zinc/59/68/43/344596843.db2.gz CKPFXUVNGIERNX-MXWKQRLJSA-N 1 3 198.310 0.611 10 0 ACAEHO CO[C@H](C)[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 229407614 344594456 /nfs/dbraw/zinc/59/44/56/344594456.db2.gz FTUUBZGEDOIOLL-ZRUFSTJUSA-N 1 3 198.310 0.561 10 0 ACAEHO CC(C)N[C@]1(CO)CC[NH2+]C[C@@H]1C 229564526 344605227 /nfs/dbraw/zinc/60/52/27/344605227.db2.gz XFEQSODYGCUOEB-UWVGGRQHSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H]1CCC[C@]1(N)C[NH3+] 229682330 344611251 /nfs/dbraw/zinc/61/12/51/344611251.db2.gz VSNADHSODYLDBK-YUMQZZPRSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@@](N)(C[NH3+])CC1CCC1 229707329 344612348 /nfs/dbraw/zinc/61/23/48/344612348.db2.gz XHECTBYOROHOSW-QMMMGPOBSA-N 1 3 142.246 0.853 10 0 ACAEHO CC1([N@@H+]2CC[C@@H](CN)C2)CCOCC1 229905239 344619847 /nfs/dbraw/zinc/61/98/47/344619847.db2.gz PAZNLOGRDZPHPI-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CO[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2N)C1 230320687 344630788 /nfs/dbraw/zinc/63/07/88/344630788.db2.gz WSRUPLQLXZYEFM-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1CCN(C2CC[NH2+]CC2)C[C@@H]1O 230360567 344631330 /nfs/dbraw/zinc/63/13/30/344631330.db2.gz IJFVNGLCFPULSX-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CCNCC2)C[C@@H]1O 230360567 344631332 /nfs/dbraw/zinc/63/13/32/344631332.db2.gz IJFVNGLCFPULSX-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 230640723 344638068 /nfs/dbraw/zinc/63/80/68/344638068.db2.gz RHSGGOHFQXONKF-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@H]2CCCC[C@@H]2O)C1 230640723 344638069 /nfs/dbraw/zinc/63/80/69/344638069.db2.gz RHSGGOHFQXONKF-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCNC1 232959050 344697430 /nfs/dbraw/zinc/69/74/30/344697430.db2.gz FPTJYWHWGIYIQE-RKDXNWHRSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(C[NH2+][C@H]2CCNC2)CCOCC1 233030214 344699406 /nfs/dbraw/zinc/69/94/06/344699406.db2.gz QKFKHWMWUJIBHM-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO CC[C@H]1CN(C)CCCN1C(N)=[NH2+] 234062480 344711474 /nfs/dbraw/zinc/71/14/74/344711474.db2.gz ZQRXCTJJFBULIR-QMMMGPOBSA-N 1 3 184.287 0.296 10 0 ACAEHO C[N@H+]1CC[C@H](Cn2ccnc2N)C1 234354350 344718510 /nfs/dbraw/zinc/71/85/10/344718510.db2.gz TYDSHPICWOWWKT-QMMMGPOBSA-N 1 3 180.255 0.417 10 0 ACAEHO CNC(=[NH2+])N1CCCN(C)C[C@@H]1C 234342694 344718123 /nfs/dbraw/zinc/71/81/23/344718123.db2.gz NBTZCLDYKIZKRW-QMMMGPOBSA-N 1 3 184.287 0.167 10 0 ACAEHO COC1CC([N@@H+]2CCN[C@@H](C)CC2)C1 234613404 344724034 /nfs/dbraw/zinc/72/40/34/344724034.db2.gz WXIYFMUTTZZQGG-WHXUTIOJSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@H+]2CCN[C@@H](C)CC2)C1 234613404 344724036 /nfs/dbraw/zinc/72/40/36/344724036.db2.gz WXIYFMUTTZZQGG-WHXUTIOJSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@@H+]2CCCN[C@H](C)C2)C1 234609953 344724085 /nfs/dbraw/zinc/72/40/85/344724085.db2.gz WTUUTVJYDAXBJF-KPPDAEKUSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@H+]2CCCN[C@H](C)C2)C1 234609953 344724086 /nfs/dbraw/zinc/72/40/86/344724086.db2.gz WTUUTVJYDAXBJF-KPPDAEKUSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@@H+]2CCN[C@H](C)CC2)C1 234613595 344724099 /nfs/dbraw/zinc/72/40/99/344724099.db2.gz WXIYFMUTTZZQGG-KPPDAEKUSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@H+]2CCN[C@H](C)CC2)C1 234613595 344724100 /nfs/dbraw/zinc/72/41/00/344724100.db2.gz WXIYFMUTTZZQGG-KPPDAEKUSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC(N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 234615691 344724105 /nfs/dbraw/zinc/72/41/05/344724105.db2.gz LMXQRRRTOSEZPZ-IDWGSYCQSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC(N2CC[C@H]([NH3+])[C@@H](C)C2)C1 234616946 344724151 /nfs/dbraw/zinc/72/41/51/344724151.db2.gz LMXQRRRTOSEZPZ-PMUOWJKOSA-N 1 3 198.310 0.833 10 0 ACAEHO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CN)C2)C1 234805012 344728384 /nfs/dbraw/zinc/72/83/84/344728384.db2.gz NIOKNSWZWGJMNN-HBNTYKKESA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](CN)C2)C1 234805012 344728385 /nfs/dbraw/zinc/72/83/85/344728385.db2.gz NIOKNSWZWGJMNN-HBNTYKKESA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](CN)C2)C1 234915793 344730747 /nfs/dbraw/zinc/73/07/47/344730747.db2.gz NIOKNSWZWGJMNN-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CC[C@H]([N@H+]2CC[C@@H](CN)C2)C1 234915793 344730748 /nfs/dbraw/zinc/73/07/48/344730748.db2.gz NIOKNSWZWGJMNN-GARJFASQSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCO[C@@H]2C)C[C@@H]1N 235349097 344745000 /nfs/dbraw/zinc/74/50/00/344745000.db2.gz UXPYEHHJAJMDJT-DOLQZWNJSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCO[C@@H]2C)C[C@@H]1N 235349097 344745001 /nfs/dbraw/zinc/74/50/01/344745001.db2.gz UXPYEHHJAJMDJT-DOLQZWNJSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1CN(CC2CCOCC2)C[C@@H]1[NH3+] 235356461 344745471 /nfs/dbraw/zinc/74/54/71/344745471.db2.gz HAAYZIKMEANKIR-KOLCDFICSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H]1CCN(C2(C[NH3+])CC2)C1 235352685 344745483 /nfs/dbraw/zinc/74/54/83/344745483.db2.gz IRVBBRUAAFDJDG-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H]1CN([C@H](C)[C@@H]2CCOC2)C[C@@H]1[NH3+] 235355896 344745520 /nfs/dbraw/zinc/74/55/20/344745520.db2.gz ITVRHGLTLNMYGX-DBIOUOCHSA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@@H]1CN(CC2CC2)C[C@@H]1[NH3+] 235355613 344745530 /nfs/dbraw/zinc/74/55/30/344745530.db2.gz DNEUKUDICURRHM-APPZFPTMSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCCCC[C@@H]1O 235460075 344750459 /nfs/dbraw/zinc/75/04/59/344750459.db2.gz JUQUTPHYLGDCQC-BBBLOLIVSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCSC1 235460611 344750472 /nfs/dbraw/zinc/75/04/72/344750472.db2.gz KAYBELRFCSEKLL-RNFRBKRXSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCCCC[C@@H]1O 235463232 344750515 /nfs/dbraw/zinc/75/05/15/344750515.db2.gz JUQUTPHYLGDCQC-UTLUCORTSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@@H]1CN(C)CCN1C(C)(C)C[NH3+] 235465623 344750609 /nfs/dbraw/zinc/75/06/09/344750609.db2.gz JTAXZVYOEHIJIW-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]1CN(C)CCN1C1CC([NH3+])C1 235466350 344751013 /nfs/dbraw/zinc/75/10/13/344751013.db2.gz DNEPXMGPHJGZRY-XNWIYYODSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]1CN(C)CCN1[C@H](C)[C@H](C)C[NH3+] 235487568 344751562 /nfs/dbraw/zinc/75/15/62/344751562.db2.gz SNJFIKRXZCAPRQ-OUAUKWLOSA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@H]1CN(C)CCCN1[C@@H](C)C(N)=[NH2+] 235666997 344762153 /nfs/dbraw/zinc/76/21/53/344762153.db2.gz LDOXLOWPQPMGMH-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C2CC(N)C2)CCO1 235692822 344763118 /nfs/dbraw/zinc/76/31/18/344763118.db2.gz GLYWMZYKHGTXJO-FMLYDFSMSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H]1C[C@@H](NC2CC([NH3+])C2)CCO1 235692822 344763120 /nfs/dbraw/zinc/76/31/20/344763120.db2.gz GLYWMZYKHGTXJO-FMLYDFSMSA-N 1 3 184.283 0.633 10 0 ACAEHO FC([C@H]1CCCN1)[C@H]1CCC[NH2+]1 236140789 344775261 /nfs/dbraw/zinc/77/52/61/344775261.db2.gz CUEXFQXQBODHNO-HTQZYQBOSA-N 1 3 172.247 0.829 10 0 ACAEHO FC([C@@H]1CCCN1)[C@@H]1CCC[NH2+]1 236140747 344775334 /nfs/dbraw/zinc/77/53/34/344775334.db2.gz CUEXFQXQBODHNO-YUMQZZPRSA-N 1 3 172.247 0.829 10 0 ACAEHO Cn1ccnc1NCC1([NH3+])CCC1 236079142 344772403 /nfs/dbraw/zinc/77/24/03/344772403.db2.gz LNXYYKVRVKVLHH-UHFFFAOYSA-N 1 3 180.255 0.713 10 0 ACAEHO O[C@H]([C@@H]1CCCCN1)[C@H]1CCC[NH2+]1 236544968 344788447 /nfs/dbraw/zinc/78/84/47/344788447.db2.gz BTOHPHQYPYKFQI-IVZWLZJFSA-N 1 3 184.283 0.241 10 0 ACAEHO CN1CC[C@@H](N(C)C[C@@H]2CC[NH2+]C2)C1 238323924 344801032 /nfs/dbraw/zinc/80/10/32/344801032.db2.gz AUMNAAUGZOCXRY-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CC[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238252419 344797213 /nfs/dbraw/zinc/79/72/13/344797213.db2.gz OHRIKUCGBZJCND-PSVAKVPMSA-N 1 3 154.257 0.960 10 0 ACAEHO CC[N@H+]1[C@H]2CC[C@@H]1C[C@@H](N)C2 238252419 344797214 /nfs/dbraw/zinc/79/72/14/344797214.db2.gz OHRIKUCGBZJCND-PSVAKVPMSA-N 1 3 154.257 0.960 10 0 ACAEHO NCC(C[NH3+])c1ccc(O)cc1 238610909 344815695 /nfs/dbraw/zinc/81/56/95/344815695.db2.gz UJTLETZEXAHMMK-UHFFFAOYSA-N 1 3 166.224 0.393 10 0 ACAEHO CCCN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 250072564 344829290 /nfs/dbraw/zinc/82/92/90/344829290.db2.gz ZGTXLPWOOSVEHG-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN(C)[C@@H]1CC[C@H]1C[NH3+] 250100692 344829980 /nfs/dbraw/zinc/82/99/80/344829980.db2.gz YYJJDMINFJXHDA-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+](C)[C@@H]1CC[C@H]1CN 250100692 344829981 /nfs/dbraw/zinc/82/99/81/344829981.db2.gz YYJJDMINFJXHDA-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CC[C@H]1CN 250100692 344829982 /nfs/dbraw/zinc/82/99/82/344829982.db2.gz YYJJDMINFJXHDA-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+](C)[C@@H]1CCNC[C@H]1C 250074756 344830007 /nfs/dbraw/zinc/83/00/07/344830007.db2.gz SLSHCBZTCHUXAS-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CCNC[C@H]1C 250074756 344830008 /nfs/dbraw/zinc/83/00/08/344830008.db2.gz SLSHCBZTCHUXAS-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@@H]1CC[NH2+]C[C@H]1C 250074756 344830009 /nfs/dbraw/zinc/83/00/09/344830009.db2.gz SLSHCBZTCHUXAS-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 250255389 344831071 /nfs/dbraw/zinc/83/10/71/344831071.db2.gz JANWFBSAUNNVPZ-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN1C[C@H]2C[NH2+]C[C@H]2C1(C)C 250255392 344831103 /nfs/dbraw/zinc/83/11/03/344831103.db2.gz JANWFBSAUNNVPZ-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO CC[N@@H+]1CCC[C@H](N)[C@H]1C 250257210 344831108 /nfs/dbraw/zinc/83/11/08/344831108.db2.gz JGPFTENBHPLVNZ-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[N@H+]1CCC[C@H](N)[C@H]1C 250257210 344831109 /nfs/dbraw/zinc/83/11/09/344831109.db2.gz JGPFTENBHPLVNZ-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CCN1CCN(CC(C)(C)[NH3+])C[C@H]1C 250260732 344831699 /nfs/dbraw/zinc/83/16/99/344831699.db2.gz JSUHUFFUDVLZEJ-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CCN1CCN([C@H](C)C(N)=[NH2+])C[C@@H]1C 250342294 344831733 /nfs/dbraw/zinc/83/17/33/344831733.db2.gz PXRAJGWJCFQLNX-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO CCN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 250314875 344831747 /nfs/dbraw/zinc/83/17/47/344831747.db2.gz MISIOWVQOKRPQS-CIUDSAMLSA-N 1 3 154.257 0.546 10 0 ACAEHO C[N@@H+](C1CCOCC1)[C@@H]1CC[C@H]1CN 250448141 344834035 /nfs/dbraw/zinc/83/40/35/344834035.db2.gz VBMYODROFBTBLU-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C1CCOCC1)[C@@H]1CC[C@H]1CN 250448141 344834036 /nfs/dbraw/zinc/83/40/36/344834036.db2.gz VBMYODROFBTBLU-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C1CCOCC1)[C@@H]1CC[C@H]1C[NH3+] 250448141 344834037 /nfs/dbraw/zinc/83/40/37/344834037.db2.gz VBMYODROFBTBLU-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](CC1CCC1)[C@H]1COCC[C@H]1N 250354348 344832321 /nfs/dbraw/zinc/83/23/21/344832321.db2.gz BJBAYSMHNXIKNX-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](CC1CCC1)[C@H]1COCC[C@H]1N 250354348 344832322 /nfs/dbraw/zinc/83/23/22/344832322.db2.gz BJBAYSMHNXIKNX-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](CC1CCC1)[C@@H]1COCC[C@H]1N 250354347 344832335 /nfs/dbraw/zinc/83/23/35/344832335.db2.gz BJBAYSMHNXIKNX-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](CC1CCC1)[C@@H]1COCC[C@H]1N 250354347 344832336 /nfs/dbraw/zinc/83/23/36/344832336.db2.gz BJBAYSMHNXIKNX-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO CCN1CCN([C@@H](C)C[NH3+])C[C@H]1C 250355486 344832357 /nfs/dbraw/zinc/83/23/57/344832357.db2.gz SBDSGGSZLXFWHX-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@H]1CCC[C@H]1O 250443685 344833955 /nfs/dbraw/zinc/83/39/55/344833955.db2.gz UJOBGCWONLLOEW-WDEREUQCSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@H]1CCC[C@H]1O 250443685 344833956 /nfs/dbraw/zinc/83/39/56/344833956.db2.gz UJOBGCWONLLOEW-WDEREUQCSA-N 1 3 198.310 0.584 10 0 ACAEHO CN(C1CC[NH2+]CC1)[C@H]1CCC[C@H]1O 250443685 344833957 /nfs/dbraw/zinc/83/39/57/344833957.db2.gz UJOBGCWONLLOEW-WDEREUQCSA-N 1 3 198.310 0.584 10 0 ACAEHO CN([C@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCOC1 250415140 344833991 /nfs/dbraw/zinc/83/39/91/344833991.db2.gz OJUIETADWPAGRH-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[N@H+](C1CC1)[C@@H]1CCC[C@H]1N 250442558 344833996 /nfs/dbraw/zinc/83/39/96/344833996.db2.gz UBGOACAHBBFKOK-RKDXNWHRSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@@H+](C1CC1)[C@@H]1CCC[C@H]1N 250442558 344833997 /nfs/dbraw/zinc/83/39/97/344833997.db2.gz UBGOACAHBBFKOK-RKDXNWHRSA-N 1 3 154.257 0.960 10 0 ACAEHO CN1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 250644429 344838413 /nfs/dbraw/zinc/83/84/13/344838413.db2.gz UVHSRZNNIHRNJV-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@H]([NH2+][C@H]2CCCNC2)C1 250644429 344838414 /nfs/dbraw/zinc/83/84/14/344838414.db2.gz UVHSRZNNIHRNJV-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@H](N2CCC[C@H]2C[NH3+])C1 250659502 344838939 /nfs/dbraw/zinc/83/89/39/344838939.db2.gz YMCMRXKLABUYHQ-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[N@@H+]1CCC[C@H](N[C@H]2CCOC2)CC1 250656197 344838952 /nfs/dbraw/zinc/83/89/52/344838952.db2.gz XWISNMLKZHHXTO-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@H+]1CCC[C@H](N[C@H]2CCOC2)CC1 250656197 344838953 /nfs/dbraw/zinc/83/89/53/344838953.db2.gz XWISNMLKZHHXTO-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO CN1CC[C@@H](N2CCC[C@H]2C[NH3+])C1 250659506 344838957 /nfs/dbraw/zinc/83/89/57/344838957.db2.gz YMCMRXKLABUYHQ-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO C[N@@H+]1CCC[C@@H](N[C@H]2CCOC2)CC1 250656195 344838967 /nfs/dbraw/zinc/83/89/67/344838967.db2.gz XWISNMLKZHHXTO-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@H+]1CCC[C@@H](N[C@H]2CCOC2)CC1 250656195 344838968 /nfs/dbraw/zinc/83/89/68/344838968.db2.gz XWISNMLKZHHXTO-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO CN1CCCN([C@H](C[NH3+])C2CC2)CC1 250657453 344838977 /nfs/dbraw/zinc/83/89/77/344838977.db2.gz YCFVYOUWYMFZTD-LLVKDONJSA-N 1 3 197.326 0.361 10 0 ACAEHO CCN[C@@]1(CO)CC[N@H+]2CCC[C@H]2C1 250668794 344839340 /nfs/dbraw/zinc/83/93/40/344839340.db2.gz SAWYLOJQYFPDIZ-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 250670118 344839368 /nfs/dbraw/zinc/83/93/68/344839368.db2.gz UEFMVYCSDUGEQP-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 250670118 344839370 /nfs/dbraw/zinc/83/93/70/344839370.db2.gz UEFMVYCSDUGEQP-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+][C@@H]1CCN([C@@H]2CC[C@@H]3C[C@@H]32)C1 250665527 344839425 /nfs/dbraw/zinc/83/94/25/344839425.db2.gz RROLQXLCWQXPDB-DOLQZWNJSA-N 1 3 166.268 0.818 10 0 ACAEHO CN[C@@]1(CO)CC[N@@H+]2CCC[C@H]2C1 250746331 344840411 /nfs/dbraw/zinc/84/04/11/344840411.db2.gz NYYYFUXXMNAJTP-UWVGGRQHSA-N 1 3 184.283 0.195 10 0 ACAEHO CN[C@@]1(CO)CC[N@H+]2CCC[C@H]2C1 250746331 344840412 /nfs/dbraw/zinc/84/04/12/344840412.db2.gz NYYYFUXXMNAJTP-UWVGGRQHSA-N 1 3 184.283 0.195 10 0 ACAEHO CN[C@]1(CO)CC[N@@H+]2CCC[C@H]2C1 250746332 344840482 /nfs/dbraw/zinc/84/04/82/344840482.db2.gz NYYYFUXXMNAJTP-VHSXEESVSA-N 1 3 184.283 0.195 10 0 ACAEHO CN[C@]1(CO)CC[N@H+]2CCC[C@H]2C1 250746332 344840484 /nfs/dbraw/zinc/84/04/84/344840484.db2.gz NYYYFUXXMNAJTP-VHSXEESVSA-N 1 3 184.283 0.195 10 0 ACAEHO NC[C@H]1CCCC[N@@H+]1[C@H]1CCOC1 250811388 344841949 /nfs/dbraw/zinc/84/19/49/344841949.db2.gz DKFFOINIVMEKRR-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@H]1CCCC[N@H+]1[C@H]1CCOC1 250811388 344841950 /nfs/dbraw/zinc/84/19/50/344841950.db2.gz DKFFOINIVMEKRR-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO NC(=[NH2+])N[C@@H]1CCN2CCCC[C@H]12 250870201 344842930 /nfs/dbraw/zinc/84/29/30/344842930.db2.gz SHYZPFKJPAEEQA-HTQZYQBOSA-N 1 3 182.271 0.096 10 0 ACAEHO NC(=[NH2+])N[C@H]1CCN2CCCC[C@H]12 250870203 344842991 /nfs/dbraw/zinc/84/29/91/344842991.db2.gz SHYZPFKJPAEEQA-JGVFFNPUSA-N 1 3 182.271 0.096 10 0 ACAEHO NC[C@@H]1CCCC[N@@H+]1[C@H]1CCOC1 250811384 344841917 /nfs/dbraw/zinc/84/19/17/344841917.db2.gz DKFFOINIVMEKRR-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@@H]1CCCC[N@H+]1[C@H]1CCOC1 250811384 344841918 /nfs/dbraw/zinc/84/19/18/344841918.db2.gz DKFFOINIVMEKRR-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1N 251082862 344846691 /nfs/dbraw/zinc/84/66/91/344846691.db2.gz IHKKJCCLGFPEFY-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1N 251082862 344846692 /nfs/dbraw/zinc/84/66/92/344846692.db2.gz IHKKJCCLGFPEFY-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@H]2CCCOCC2)C1 251098422 344847015 /nfs/dbraw/zinc/84/70/15/344847015.db2.gz JNVLJRSRYVSMJY-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 251156009 344848107 /nfs/dbraw/zinc/84/81/07/344848107.db2.gz KTWJVUWIZDOSPQ-MXWKQRLJSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCCC[C@@H](CN)C1 251136489 344848123 /nfs/dbraw/zinc/84/81/23/344848123.db2.gz VLIPSXFHTWOUSW-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)C[N@H+]1CCCC[C@@H](CN)C1 251136489 344848124 /nfs/dbraw/zinc/84/81/24/344848124.db2.gz VLIPSXFHTWOUSW-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](N)C1 251724894 344868525 /nfs/dbraw/zinc/86/85/25/344868525.db2.gz QBEHLNUVFAZNBX-XKNYDFJKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]([C@H]2CCCOC2)C1 251766604 344872244 /nfs/dbraw/zinc/87/22/44/344872244.db2.gz MDALINJLEFIIIG-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CNCC[N@H+]([C@H]2CCCOC2)C1 251766604 344872245 /nfs/dbraw/zinc/87/22/45/344872245.db2.gz MDALINJLEFIIIG-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCOCC2)CC[C@H]1N 251849956 344876409 /nfs/dbraw/zinc/87/64/09/344876409.db2.gz RIXIWOKWVPIPRR-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1C[C@H](N2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 252099070 344884614 /nfs/dbraw/zinc/88/46/14/344884614.db2.gz IDYDJFMUFXPELR-LMLFDSFASA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1C[C@H](C[NH3+])CN1[C@H]1CCOC1 252171942 344889572 /nfs/dbraw/zinc/88/95/72/344889572.db2.gz RIIQRQLWXFJJRD-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1CCCN1[C@H]1[C@@H]2C[NH2+]C[C@@H]21 252196673 344891233 /nfs/dbraw/zinc/89/12/33/344891233.db2.gz SMPHMZIMINFOST-AXTSPUMRSA-N 1 3 166.268 0.689 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](N)C1 252210321 344892257 /nfs/dbraw/zinc/89/22/57/344892257.db2.gz XYTNXGHAWKZPPE-CIUDSAMLSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](C[NH3+])CN1CCCO[C@H](C)C1 251931328 344880644 /nfs/dbraw/zinc/88/06/44/344880644.db2.gz YTHJRTNXVQUVMA-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 252547553 344901421 /nfs/dbraw/zinc/90/14/21/344901421.db2.gz LPYWDPMQQLZMTE-XHNCKOQMSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@H](N)[C@H]1C[N@H+]2CCC[C@H]2CO1 252547553 344901422 /nfs/dbraw/zinc/90/14/22/344901422.db2.gz LPYWDPMQQLZMTE-XHNCKOQMSA-N 1 3 170.256 0.197 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@H]1CCC[C@@H]1O 252686213 344908381 /nfs/dbraw/zinc/90/83/81/344908381.db2.gz JIKJIRUCZXZDPK-GUBZILKMSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](O)[C@H](C)N1CC[C@H]([NH3+])C[C@H]1C 252688120 344908403 /nfs/dbraw/zinc/90/84/03/344908403.db2.gz NGLBFZBGMPCACM-KATARQTJSA-N 1 3 186.299 0.567 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@H]1CCCC[C@@H]1O 252689806 344909139 /nfs/dbraw/zinc/90/91/39/344909139.db2.gz SEVOGRQUTZBEBL-DCAQKATOSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)[C@@H]1CCO[C@H]1C 252740451 344911722 /nfs/dbraw/zinc/91/17/22/344911722.db2.gz HDVXVVMNTDJDPW-AATLWQCWSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)[C@@H]1CCO[C@H]1C 252740451 344911723 /nfs/dbraw/zinc/91/17/23/344911723.db2.gz HDVXVVMNTDJDPW-AATLWQCWSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@H](CO)[N@H+](C)[C@H]1CCCC[C@H]1N 252807219 344914806 /nfs/dbraw/zinc/91/48/06/344914806.db2.gz ILCYRABPDRMGTJ-BBBLOLIVSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](CO)[N@@H+](C)[C@H]1CCCC[C@H]1N 252807219 344914807 /nfs/dbraw/zinc/91/48/07/344914807.db2.gz ILCYRABPDRMGTJ-BBBLOLIVSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](CO)[N@H+](C)[C@H]1CCC[C@H]1N 252803358 344914811 /nfs/dbraw/zinc/91/48/11/344914811.db2.gz BGRANCGJHBRJLG-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@@H+](C)[C@H]1CCC[C@H]1N 252803358 344914812 /nfs/dbraw/zinc/91/48/12/344914812.db2.gz BGRANCGJHBRJLG-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 252676846 344907875 /nfs/dbraw/zinc/90/78/75/344907875.db2.gz MHMMLWPXQYRLMN-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 252676847 344907903 /nfs/dbraw/zinc/90/79/03/344907903.db2.gz MHMMLWPXQYRLMN-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO CN[C@H]1CC[N@H+]2CCC[C@H]2C1 252676847 344907904 /nfs/dbraw/zinc/90/79/04/344907904.db2.gz MHMMLWPXQYRLMN-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO CN(C[C@@H]1COC[C@H]1[NH3+])C1CCC1 252980313 344923849 /nfs/dbraw/zinc/92/38/49/344923849.db2.gz LSTKTNRPBOGYRI-PSASIEDQSA-N 1 3 184.283 0.444 10 0 ACAEHO CN(C[C@H]1COC[C@H]1[NH3+])C1CCC1 252980314 344924088 /nfs/dbraw/zinc/92/40/88/344924088.db2.gz LSTKTNRPBOGYRI-WCBMZHEXSA-N 1 3 184.283 0.444 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCCN[C@H](C)C1 252828965 344915473 /nfs/dbraw/zinc/91/54/73/344915473.db2.gz WPYVRNYZZIUEIX-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCCN[C@H](C)C1 252828965 344915474 /nfs/dbraw/zinc/91/54/74/344915474.db2.gz WPYVRNYZZIUEIX-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCNCC[C@H]1C 252830218 344915479 /nfs/dbraw/zinc/91/54/79/344915479.db2.gz XOUSDIQSFKMBIT-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCNCC[C@H]1C 252830218 344915480 /nfs/dbraw/zinc/91/54/80/344915480.db2.gz XOUSDIQSFKMBIT-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@H](O)CC[N@@H+]1C[C@@H](C)C[C@H](N)C1 252863113 344916889 /nfs/dbraw/zinc/91/68/89/344916889.db2.gz KXXROXMITURUIC-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CCN1CC[C@H]([NH3+])[C@H](C)C1 252872896 344917324 /nfs/dbraw/zinc/91/73/24/344917324.db2.gz PGZFWCJKOLXRIA-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@]1(NC[C@H]2CCC[C@H]2[NH3+])CCOC1 252933891 344919830 /nfs/dbraw/zinc/91/98/30/344919830.db2.gz DHEPTDDQJCUOSD-MXWKQRLJSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1CN(C2CC([NH3+])C2)CC[C@H]1O 253195307 344930771 /nfs/dbraw/zinc/93/07/71/344930771.db2.gz QBITWLWQAJXZIO-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 253282942 344932602 /nfs/dbraw/zinc/93/26/02/344932602.db2.gz LPYWDPMQQLZMTE-HRDYMLBCSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@@H](N)[C@H]1C[N@H+]2CCC[C@H]2CO1 253282942 344932604 /nfs/dbraw/zinc/93/26/04/344932604.db2.gz LPYWDPMQQLZMTE-HRDYMLBCSA-N 1 3 170.256 0.197 10 0 ACAEHO NC1CC([NH2+][C@H]2CC[C@H](O)CC2)C1 253117794 344927843 /nfs/dbraw/zinc/92/78/43/344927843.db2.gz GTRQFFDCHRUCSK-ILCXDJLASA-N 1 3 184.283 0.369 10 0 ACAEHO CN(C[C@H]1COCC[C@H]1[NH3+])C1CC1 299968168 344961539 /nfs/dbraw/zinc/96/15/39/344961539.db2.gz LMUCXFNUHFBCIR-WCBMZHEXSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@H]2COCC[C@@H]2N)C1 299965079 344961650 /nfs/dbraw/zinc/96/16/50/344961650.db2.gz AHYATXMZTVFQGB-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@H]2COCC[C@@H]2N)C1 299965079 344961651 /nfs/dbraw/zinc/96/16/51/344961651.db2.gz AHYATXMZTVFQGB-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H](CN1CC[C@](C)(O)C1)C(N)=[NH2+] 300027168 344963890 /nfs/dbraw/zinc/96/38/90/344963890.db2.gz BHHAVUOZZUHGNJ-CBAPKCEASA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1[NH3+] 300049022 344966881 /nfs/dbraw/zinc/96/68/81/344966881.db2.gz OQJJQROPPUFXRH-BBBLOLIVSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@H]2CCCOC2)C[C@@H]1N 300241647 344973009 /nfs/dbraw/zinc/97/30/09/344973009.db2.gz MXOUWUFKVRDNJG-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[N@H+]([C@H]2CCCOC2)C[C@@H]1N 300241647 344973010 /nfs/dbraw/zinc/97/30/10/344973010.db2.gz MXOUWUFKVRDNJG-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO CC(C)[C@H](O)C[N@H+]1CCC[C@H](N)C1 300758253 344990665 /nfs/dbraw/zinc/99/06/65/344990665.db2.gz GIGUIAVIOGYEJI-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO O[C@H]([C@H]1CCCCCN1)[C@H]1CCC[NH2+]1 300061189 344969279 /nfs/dbraw/zinc/96/92/79/344969279.db2.gz ICFKMRSKNGRQPF-GMTAPVOTSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@H]2CCCOC2)C[C@H]1N 300241645 344972814 /nfs/dbraw/zinc/97/28/14/344972814.db2.gz MXOUWUFKVRDNJG-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[N@H+]([C@H]2CCCOC2)C[C@H]1N 300241645 344972815 /nfs/dbraw/zinc/97/28/15/344972815.db2.gz MXOUWUFKVRDNJG-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCOC[C@@H]2C)C[C@H]1[NH3+] 301007273 345025157 /nfs/dbraw/zinc/02/51/57/345025157.db2.gz LMAZAXGZRBODRO-LMLFDSFASA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@H]1CCN(C[C@H](O)C[NH3+])[C@@H](C)C1 301021735 345027695 /nfs/dbraw/zinc/02/76/95/345027695.db2.gz KOXFUYTWFOFDTR-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@](O)(C2C[NH2+]C2)CCN1C 306161614 345052520 /nfs/dbraw/zinc/05/25/20/345052520.db2.gz NGGWMHZXPHNPCL-WPRPVWTQSA-N 1 3 184.283 0.051 10 0 ACAEHO N[C@@]1(C[NH3+])CCO[C@@H](C(F)(F)F)C1 306198983 345087946 /nfs/dbraw/zinc/08/79/46/345087946.db2.gz ZIHNIZBDCSADJO-RITPCOANSA-N 1 3 198.188 0.384 10 0 ACAEHO COCC1([N@@H+]2CCCNCC2)CCC1 306215079 345105814 /nfs/dbraw/zinc/10/58/14/345105814.db2.gz NUSBIECENCZDGX-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO CC(C)(CN1CCC1)N1CC[NH2+]CC1 306232176 345125963 /nfs/dbraw/zinc/12/59/63/345125963.db2.gz MFBCIGFDJYCJCI-UHFFFAOYSA-N 1 3 197.326 0.376 10 0 ACAEHO CC1(C)OC[C@@H](CN2CCC2)[C@@H]1[NH3+] 306242281 345134918 /nfs/dbraw/zinc/13/49/18/345134918.db2.gz AEGWFWFNTQJDLP-BDAKNGLRSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)OC[C@@H](C[NH+]2CCC2)[C@@H]1N 306242281 345134919 /nfs/dbraw/zinc/13/49/19/345134919.db2.gz AEGWFWFNTQJDLP-BDAKNGLRSA-N 1 3 184.283 0.444 10 0 ACAEHO CC[C@]1(N2CCC([NH3+])CC2)CCOC1 306299722 345180508 /nfs/dbraw/zinc/18/05/08/345180508.db2.gz FBGCPKYNRYPXST-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 306310269 345189385 /nfs/dbraw/zinc/18/93/85/345189385.db2.gz SZGJWQCRKSJKFE-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO COC1(C(N)=[NH2+])CCN(C)CC1 306340364 345215647 /nfs/dbraw/zinc/21/56/47/345215647.db2.gz YRDBEQCNWMTSDW-UHFFFAOYSA-N 1 3 171.244 0.033 10 0 ACAEHO CC1(C)OCC[C@@H]1[N@@H+]1CCC[C@H](N)C1 306428398 345286090 /nfs/dbraw/zinc/28/60/90/345286090.db2.gz MIYAASUTEXNGNT-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1C1CCOCC1 306437915 345298220 /nfs/dbraw/zinc/29/82/20/345298220.db2.gz HQQQMHXWQOBNKN-PSASIEDQSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1[C@H]([NH3+])CCN1C1CCOCC1 306437927 345298329 /nfs/dbraw/zinc/29/83/29/345298329.db2.gz HQQQMHXWQOBNKN-WCBMZHEXSA-N 1 3 184.283 0.587 10 0 ACAEHO CN[C@@H]1[C@@H](C[NH+](C)C)COC1(C)C 306443297 345303851 /nfs/dbraw/zinc/30/38/51/345303851.db2.gz QGJKQNHNSVHUKS-DTWKUNHWSA-N 1 3 186.299 0.561 10 0 ACAEHO CN[C@H]1[C@@H](C[NH+](C)C)COC1(C)C 306443298 345303911 /nfs/dbraw/zinc/30/39/11/345303911.db2.gz QGJKQNHNSVHUKS-IUCAKERBSA-N 1 3 186.299 0.561 10 0 ACAEHO Cn1ccnc1NC[C@H]([NH3+])C1CCC1 306475170 345339872 /nfs/dbraw/zinc/33/98/72/345339872.db2.gz WWAHCFAZEPSHGM-VIFPVBQESA-N 1 3 194.282 0.959 10 0 ACAEHO CO[C@H]1C[C@@H](C[NH3+])N(C2CCCC2)C1 306476118 345341362 /nfs/dbraw/zinc/34/13/62/345341362.db2.gz XQZWHGGPNPGPGP-QWRGUYRKSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@@]1(C)C[C@H]1NCC[NH3+] 306573296 345450282 /nfs/dbraw/zinc/45/02/82/345450282.db2.gz HIZLVYHLELXFHV-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@H+]1C 306585130 345462056 /nfs/dbraw/zinc/46/20/56/345462056.db2.gz SLJNLHDTHOFZSJ-HRDYMLBCSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H]1C[C@@H](C)[C@H](CN)C[N@@H+]1C 306585130 345462058 /nfs/dbraw/zinc/46/20/58/345462058.db2.gz SLJNLHDTHOFZSJ-HRDYMLBCSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H]1C[C@@H](C)[C@H](C[NH3+])CN1C 306585130 345462059 /nfs/dbraw/zinc/46/20/59/345462059.db2.gz SLJNLHDTHOFZSJ-HRDYMLBCSA-N 1 3 156.273 0.921 10 0 ACAEHO CC[C@H](O)C[N@@H+]1CCNC[C@@H](C)C1 306626420 345498085 /nfs/dbraw/zinc/49/80/85/345498085.db2.gz HWFKNSSTMTUXSN-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@H](O)C[N@H+]1CCNC[C@@H](C)C1 306626420 345498086 /nfs/dbraw/zinc/49/80/86/345498086.db2.gz HWFKNSSTMTUXSN-ZJUUUORDSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@H]1C[C@@H](C)N(C)C1 306626771 345498126 /nfs/dbraw/zinc/49/81/26/345498126.db2.gz YXYHKIIDWGWDRX-HTQZYQBOSA-N 1 3 142.246 0.546 10 0 ACAEHO C[NH2+]C[C@@H]1C[C@@H](C)N(C)C1 306626773 345498151 /nfs/dbraw/zinc/49/81/51/345498151.db2.gz YXYHKIIDWGWDRX-SFYZADRCSA-N 1 3 142.246 0.546 10 0 ACAEHO C[C@@H](CCN)[N@H+]1C[C@@H](O)[C@H](C)C1 306629744 345500223 /nfs/dbraw/zinc/50/02/23/345500223.db2.gz KIPAQBZLMPAPHZ-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1C[C@@H](O)[C@H](C)C1 306629744 345500224 /nfs/dbraw/zinc/50/02/24/345500224.db2.gz KIPAQBZLMPAPHZ-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CC[NH3+])N1C[C@@H](O)[C@H](C)C1 306629744 345500225 /nfs/dbraw/zinc/50/02/25/345500225.db2.gz KIPAQBZLMPAPHZ-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@H](C)CCN)C[C@H]1O 306629745 345500233 /nfs/dbraw/zinc/50/02/33/345500233.db2.gz KIPAQBZLMPAPHZ-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[N@H+]([C@H](C)CCN)C[C@H]1O 306629745 345500234 /nfs/dbraw/zinc/50/02/34/345500234.db2.gz KIPAQBZLMPAPHZ-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1CN([C@H](C)CC[NH3+])C[C@H]1O 306629745 345500235 /nfs/dbraw/zinc/50/02/35/345500235.db2.gz KIPAQBZLMPAPHZ-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1C[C@H](O)C(C)(C)C1 306638599 345506388 /nfs/dbraw/zinc/50/63/88/345506388.db2.gz NJCAEZYXKBZOIG-YUMQZZPRSA-N 1 3 199.298 0.404 10 0 ACAEHO C[C@H]1C[C@@H](O)CN(C2CC([NH3+])C2)C1 306697639 345553234 /nfs/dbraw/zinc/55/32/34/345553234.db2.gz ZYRPEISGQXHIPU-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@H](O)CN(C2CC([NH3+])C2)C1 306697640 345553394 /nfs/dbraw/zinc/55/33/94/345553394.db2.gz ZYRPEISGQXHIPU-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO CCCN1CC[C@](O)([C@H]2CCC[NH2+]2)C1 306738132 345584570 /nfs/dbraw/zinc/58/45/70/345584570.db2.gz ACGILYLIVWEZJU-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO [NH3+]C[C@@]1(N2C[C@H]3C[C@H]3C2)CCOC1 306832877 345645825 /nfs/dbraw/zinc/64/58/25/345645825.db2.gz OSUUZVAECMWSLE-AEJSXWLSSA-N 1 3 182.267 0.056 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1[C@H](C)CO 306864979 345666879 /nfs/dbraw/zinc/66/68/79/345666879.db2.gz LLKHSJGADGDUFA-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 306879804 345676188 /nfs/dbraw/zinc/67/61/88/345676188.db2.gz GTCBKHZDRLLHOY-WUQLENLQSA-N 1 3 184.283 0.035 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@H](C)[C@H]1CO 306881837 345678319 /nfs/dbraw/zinc/67/83/19/345678319.db2.gz IFDCJJINVURHPM-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC12CCOCC2 306886331 345682428 /nfs/dbraw/zinc/68/24/28/345682428.db2.gz SIFBYMDSITYWST-LPEHRKFASA-N 1 3 198.310 0.881 10 0 ACAEHO [NH3+][C@@H]1CCN([C@H]2C[C@@H]3C[C@@H]3C2)C1 306913219 345695925 /nfs/dbraw/zinc/69/59/25/345695925.db2.gz STBABAKLWWLAEE-UTINFBMNSA-N 1 3 166.268 0.818 10 0 ACAEHO C[C@@H](CO)[N@H+]1CCC[C@@H](N)[C@H]1C 306975825 345728850 /nfs/dbraw/zinc/72/88/50/345728850.db2.gz FRDLUXNEOMSWET-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](C[NH3+])N1C[C@H]2[C@@H](C1)C2(C)C 306983499 345733481 /nfs/dbraw/zinc/73/34/81/345733481.db2.gz SXUBIXZWMUZWCG-HLTSFMKQSA-N 1 3 168.284 0.921 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N1CCC1 306989034 345737000 /nfs/dbraw/zinc/73/70/00/345737000.db2.gz GZGBMZLZJRTDNA-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H](C[NH3+])N1CC[C@H](O)C1(C)C 306960226 345720140 /nfs/dbraw/zinc/72/01/40/345720140.db2.gz YUQNDUSMMUMUPE-YUMQZZPRSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CSC[C@@H]1NC1CC([NH3+])C1 306968254 345724665 /nfs/dbraw/zinc/72/46/65/345724665.db2.gz HMDJTECKVICBOR-KRTGUUSXSA-N 1 3 186.324 0.817 10 0 ACAEHO CC1(C)C[N@@H+](CCCN)CC[C@@H]1O 307037041 345769868 /nfs/dbraw/zinc/76/98/68/345769868.db2.gz YLARKXNGLPMWBY-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1[C@H](CO)CC[N@@H+]1C1CC(N)C1 307039944 345771957 /nfs/dbraw/zinc/77/19/57/345771957.db2.gz QLCANRJXYUQGAV-XHHQTKHESA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1[C@H](CO)CC[N@H+]1C1CC(N)C1 307039944 345771958 /nfs/dbraw/zinc/77/19/58/345771958.db2.gz QLCANRJXYUQGAV-XHHQTKHESA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1[C@H](CO)CCN1C1CC([NH3+])C1 307039944 345771959 /nfs/dbraw/zinc/77/19/59/345771959.db2.gz QLCANRJXYUQGAV-XHHQTKHESA-N 1 3 184.283 0.179 10 0 ACAEHO N[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2CCO)C1 307060603 345786404 /nfs/dbraw/zinc/78/64/04/345786404.db2.gz JXJAGGNAJQVSTB-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCCN([C@H]2CCOC2)CC1 307086728 345802298 /nfs/dbraw/zinc/80/22/98/345802298.db2.gz ZDQVBENPHYNSBY-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H]([NH3+])[C@@](C)(O)[C@@H]1CCCCN1 307154485 345847140 /nfs/dbraw/zinc/84/71/40/345847140.db2.gz KWVQQCSNMMIIRQ-XHNCKOQMSA-N 1 3 172.272 0.227 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@@H](C)NC1 307210631 345893422 /nfs/dbraw/zinc/89/34/22/345893422.db2.gz MNZGWAMDSKOTMG-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CN(C)C1CN(C2(C[NH3+])CCCC2)C1 307216941 345897992 /nfs/dbraw/zinc/89/79/92/345897992.db2.gz BYLLPJZHGKWZCR-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO CN(C)CC1C[NH+]([C@@H]2CCC[C@@H]2O)C1 307250818 345922809 /nfs/dbraw/zinc/92/28/09/345922809.db2.gz PYJKPAHWCSYQTC-MNOVXSKESA-N 1 3 198.310 0.393 10 0 ACAEHO C[C@H]1[C@@H](O)CCCN1C1CC([NH3+])C1 307255218 345926805 /nfs/dbraw/zinc/92/68/05/345926805.db2.gz ZEPSCZKPERNSGY-NFTFJBJSSA-N 1 3 184.283 0.321 10 0 ACAEHO C[NH2+]C[C@@H]1CNC[C@@H](C)C1 307265399 345934330 /nfs/dbraw/zinc/93/43/30/345934330.db2.gz KIJZYRPGLFNEHB-JGVFFNPUSA-N 1 3 142.246 0.451 10 0 ACAEHO CNC[C@@H]1C[NH2+]C[C@@H](C)C1 307265399 345934332 /nfs/dbraw/zinc/93/43/32/345934332.db2.gz KIJZYRPGLFNEHB-JGVFFNPUSA-N 1 3 142.246 0.451 10 0 ACAEHO C[C@@H]1SCC[C@@H]1NC1CC([NH3+])C1 307272297 345939042 /nfs/dbraw/zinc/93/90/42/345939042.db2.gz FDZZDHMLKGTQPB-KRTGUUSXSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@@H]1SCC[C@@H]1[NH2+]C1CC(N)C1 307272297 345939043 /nfs/dbraw/zinc/93/90/43/345939043.db2.gz FDZZDHMLKGTQPB-KRTGUUSXSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@H]1SCC[C@H]1NC1CC([NH3+])C1 307272298 345939059 /nfs/dbraw/zinc/93/90/59/345939059.db2.gz FDZZDHMLKGTQPB-MDVIFZSFSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@H]1SCC[C@H]1[NH2+]C1CC(N)C1 307272298 345939060 /nfs/dbraw/zinc/93/90/60/345939060.db2.gz FDZZDHMLKGTQPB-MDVIFZSFSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@H]1SCC[C@@H]1NC1CC([NH3+])C1 307272296 345939089 /nfs/dbraw/zinc/93/90/89/345939089.db2.gz FDZZDHMLKGTQPB-KHONBHQKSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@H]1SCC[C@@H]1[NH2+]C1CC(N)C1 307272296 345939090 /nfs/dbraw/zinc/93/90/90/345939090.db2.gz FDZZDHMLKGTQPB-KHONBHQKSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@@H]1SCC[C@H]1NC1CC([NH3+])C1 307272295 345939141 /nfs/dbraw/zinc/93/91/41/345939141.db2.gz FDZZDHMLKGTQPB-DFAZKQQPSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@@H]1SCC[C@H]1[NH2+]C1CC(N)C1 307272295 345939142 /nfs/dbraw/zinc/93/91/42/345939142.db2.gz FDZZDHMLKGTQPB-DFAZKQQPSA-N 1 3 186.324 0.960 10 0 ACAEHO CCn1c(N)nc2c1CC[N@@H+](C)C2 307273436 345939729 /nfs/dbraw/zinc/93/97/29/345939729.db2.gz JCHIALIBFXWFSP-UHFFFAOYSA-N 1 3 180.255 0.473 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 307273881 345940452 /nfs/dbraw/zinc/94/04/52/345940452.db2.gz XRCBZJCYSLMTEJ-YIZRAAEISA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 307273881 345940453 /nfs/dbraw/zinc/94/04/53/345940453.db2.gz XRCBZJCYSLMTEJ-YIZRAAEISA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 307273880 345940547 /nfs/dbraw/zinc/94/05/47/345940547.db2.gz XRCBZJCYSLMTEJ-XHNCKOQMSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 307273880 345940548 /nfs/dbraw/zinc/94/05/48/345940548.db2.gz XRCBZJCYSLMTEJ-XHNCKOQMSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 307273879 345940567 /nfs/dbraw/zinc/94/05/67/345940567.db2.gz XRCBZJCYSLMTEJ-DJLDLDEBSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 307273879 345940568 /nfs/dbraw/zinc/94/05/68/345940568.db2.gz XRCBZJCYSLMTEJ-DJLDLDEBSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 307273878 345940484 /nfs/dbraw/zinc/94/04/84/345940484.db2.gz XRCBZJCYSLMTEJ-CIUDSAMLSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 307273878 345940485 /nfs/dbraw/zinc/94/04/85/345940485.db2.gz XRCBZJCYSLMTEJ-CIUDSAMLSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]1C[C@H]1CCCO1 307318895 345967961 /nfs/dbraw/zinc/96/79/61/345967961.db2.gz RKHSQXRCAPXQJH-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO N[C@]1(CO)CC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 307310787 345963062 /nfs/dbraw/zinc/96/30/62/345963062.db2.gz IPSVDBCSEHDJLS-ZRUFSTJUSA-N 1 3 196.294 0.180 10 0 ACAEHO N[C@]1(CO)CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 307310787 345963063 /nfs/dbraw/zinc/96/30/63/345963063.db2.gz IPSVDBCSEHDJLS-ZRUFSTJUSA-N 1 3 196.294 0.180 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]1C[C@H]1CCCO1 307318895 345967960 /nfs/dbraw/zinc/96/79/60/345967960.db2.gz RKHSQXRCAPXQJH-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@]1(CN)CC[N@H+]([C@H]2CCCOC2)C1 307335384 345978350 /nfs/dbraw/zinc/97/83/50/345978350.db2.gz MRVGPHFZHUJHLF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@H]2CCCOC2)C1 307335386 345978496 /nfs/dbraw/zinc/97/84/96/345978496.db2.gz MRVGPHFZHUJHLF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1[C@H]1CCCOCC1 307370494 346000452 /nfs/dbraw/zinc/00/04/52/346000452.db2.gz OVHKZMYDELIHNE-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCC[C@@H](N)[C@H]1C 307396101 346015999 /nfs/dbraw/zinc/01/59/99/346015999.db2.gz OIXCRWOLPOURQB-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+](C)C1 307441678 346042266 /nfs/dbraw/zinc/04/22/66/346042266.db2.gz NOEFQDLRPURAOH-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1[C@@H](C[NH3+])CCN1[C@@H]1CCOC1 307504497 346078865 /nfs/dbraw/zinc/07/88/65/346078865.db2.gz WUMSMOBTIOPEMD-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@@H](CN)CC[N@@H+]1[C@@H]1CCOC1 307504497 346078866 /nfs/dbraw/zinc/07/88/66/346078866.db2.gz WUMSMOBTIOPEMD-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@@H](CN)CC[N@H+]1[C@@H]1CCOC1 307504497 346078867 /nfs/dbraw/zinc/07/88/67/346078867.db2.gz WUMSMOBTIOPEMD-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO CC[N@H+](C)CC1(C)CNC1 307536517 346098099 /nfs/dbraw/zinc/09/80/99/346098099.db2.gz LFFGWRVJMYGKAW-UHFFFAOYSA-N 1 3 142.246 0.548 10 0 ACAEHO CC[N@@H+](C)CC1(C)CNC1 307536517 346098100 /nfs/dbraw/zinc/09/81/00/346098100.db2.gz LFFGWRVJMYGKAW-UHFFFAOYSA-N 1 3 142.246 0.548 10 0 ACAEHO [NH3+][C@@H]1CCOC[C@H]1N1C[C@H]2C[C@H]2C1 307554987 346110093 /nfs/dbraw/zinc/11/00/93/346110093.db2.gz XILDPNUIFBBWEW-UTINFBMNSA-N 1 3 182.267 0.054 10 0 ACAEHO C[C@H]1CCCN1C[C@]1(O)CC[NH2+]C1 307557452 346111619 /nfs/dbraw/zinc/11/16/19/346111619.db2.gz KSOLLUUZIBJWSP-UWVGGRQHSA-N 1 3 184.283 0.195 10 0 ACAEHO NC1(C[NH+]2CC=CC2)CC1 307576262 346123907 /nfs/dbraw/zinc/12/39/07/346123907.db2.gz MRQZCRCZXRGHKI-UHFFFAOYSA-N 1 3 138.214 0.350 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 307604899 346142379 /nfs/dbraw/zinc/14/23/79/346142379.db2.gz XFTLWGUICXGEIJ-DOLQZWNJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307604899 346142380 /nfs/dbraw/zinc/14/23/80/346142380.db2.gz XFTLWGUICXGEIJ-DOLQZWNJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@@H]2CN(C)CC[C@H]2C1 307672903 346175544 /nfs/dbraw/zinc/17/55/44/346175544.db2.gz ZKSAEIBTGCFCBA-VWYCJHECSA-N 1 3 198.310 0.251 10 0 ACAEHO CC(C)[C@@H](C)[C@@H](N)C[NH3+] 307675839 346176962 /nfs/dbraw/zinc/17/69/62/346176962.db2.gz DRNFJFMSTVSGRE-RQJHMYQMSA-N 1 3 130.235 0.565 10 0 ACAEHO CC(C)[C@H](C)[C@H](N)C[NH3+] 307675801 346176968 /nfs/dbraw/zinc/17/69/68/346176968.db2.gz DRNFJFMSTVSGRE-NKWVEPMBSA-N 1 3 130.235 0.565 10 0 ACAEHO CC1(C)[C@@H](N)C[C@H]1[NH+]1CC=CC1 307681345 346179859 /nfs/dbraw/zinc/17/98/59/346179859.db2.gz XHIUCQPJRGVALR-DTWKUNHWSA-N 1 3 166.268 0.984 10 0 ACAEHO COC[C@H]1CCCCN1CCC[NH3+] 396157184 346588216 /nfs/dbraw/zinc/58/82/16/346588216.db2.gz YLZIRQGWIWVMER-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@@H](C[NH3+])C2)CO1 401884767 346622430 /nfs/dbraw/zinc/62/24/30/346622430.db2.gz JZNCHLKKRGGORZ-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN[C@H](C)[C@@H]([NH3+])C1 404475016 346644815 /nfs/dbraw/zinc/64/48/15/346644815.db2.gz GHIMDMSARIMHPX-XVMARJQXSA-N 1 3 128.219 0.332 10 0 ACAEHO N[C@@H]1C[C@H]([NH3+])C12CCC2 404683723 346649585 /nfs/dbraw/zinc/64/95/85/346649585.db2.gz FBGMRZAGVKTVRG-OLQVQODUSA-N 1 3 126.203 0.215 10 0 ACAEHO N[C@H]1C[C@@H]([NH3+])C12CCC2 404683723 346649586 /nfs/dbraw/zinc/64/95/86/346649586.db2.gz FBGMRZAGVKTVRG-OLQVQODUSA-N 1 3 126.203 0.215 10 0 ACAEHO NC(=[NH2+])c1cccc2c1CNC2 405077372 346657072 /nfs/dbraw/zinc/65/70/72/346657072.db2.gz IMRWKHLNLPUYNQ-UHFFFAOYSA-N 1 3 161.208 0.574 10 0 ACAEHO CC(C)N1CCN2C[C@H]([NH3+])C[C@@H]2C1 405397744 346665583 /nfs/dbraw/zinc/66/55/83/346665583.db2.gz OVMWFKDAPQEHKO-NXEZZACHSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@@H]1OC[C@@H](NC2CC([NH3+])C2)[C@H]1C 405529389 346667337 /nfs/dbraw/zinc/66/73/37/346667337.db2.gz ARIXGJMALCNDAH-WHYYCLSJSA-N 1 3 184.283 0.489 10 0 ACAEHO CCOC[C@@H]1CC[N@@H+](CCCN)C1 409431850 346692483 /nfs/dbraw/zinc/69/24/83/346692483.db2.gz TYTFPGGLHHIZII-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CCCN1CCOC[C@@H]2C[NH2+]CC[C@H]21 409423462 346680468 /nfs/dbraw/zinc/68/04/68/346680468.db2.gz OJDDRHAMRMEFQL-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CCN1CCO[C@@H](CC[NH3+])CC1 616595749 347108007 /nfs/dbraw/zinc/10/80/07/347108007.db2.gz YRVITJIJSGGSKS-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C 629544835 347347318 /nfs/dbraw/zinc/34/73/18/347347318.db2.gz MTIRZEZDLFSXCA-LMLFDSFASA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCOC[C@@H]1C 629544861 347347339 /nfs/dbraw/zinc/34/73/39/347347339.db2.gz MTIRZEZDLFSXCA-UKKRHICBSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]1CN(C)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C 629547167 347348002 /nfs/dbraw/zinc/34/80/02/347348002.db2.gz HATCCUNVSICKOE-UKKRHICBSA-N 1 3 197.326 0.277 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1CCOC1 629547004 347348110 /nfs/dbraw/zinc/34/81/10/347348110.db2.gz DMIFXPRUCXRQEJ-XWLWVQCSSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCNC1)[C@@H]1C[C@H]1C 629554272 347350111 /nfs/dbraw/zinc/35/01/11/347350111.db2.gz HDZLDJADTBJKMI-UTINFBMNSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]CC[C@@H]1CCOC1 629671737 347354879 /nfs/dbraw/zinc/35/48/79/347354879.db2.gz FWUJVFICVUFGHK-HBNTYKKESA-N 1 3 198.310 0.753 10 0 ACAEHO COCCC[N@@H+]1C[C@H](CN)[C@@H](C)C1 631838887 347390463 /nfs/dbraw/zinc/39/04/63/347390463.db2.gz WMVGYODYRZFGFQ-UWVGGRQHSA-N 1 3 186.299 0.550 10 0 ACAEHO COCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 631887727 347393533 /nfs/dbraw/zinc/39/35/33/347393533.db2.gz UFPHMPVMTRPQGN-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO O[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 38041428 351478503 /nfs/dbraw/zinc/47/85/03/351478503.db2.gz KMMMSQYUSFXKNQ-GHMZBOCLSA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@@H]1CCC[C@@H](NC2CC[NH2+]CC2)C1 38041428 351478504 /nfs/dbraw/zinc/47/85/04/351478504.db2.gz KMMMSQYUSFXKNQ-GHMZBOCLSA-N 1 3 198.310 0.632 10 0 ACAEHO C[C@@H]1C[C@@H](N(C)CCO)CC[N@@H+]1C 334261964 352060574 /nfs/dbraw/zinc/06/05/74/352060574.db2.gz YQGFMFXLKFNLRN-ZJUUUORDSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@@H]1C[C@@H](N(C)CCO)CC[N@H+]1C 334261964 352060575 /nfs/dbraw/zinc/06/05/75/352060575.db2.gz YQGFMFXLKFNLRN-ZJUUUORDSA-N 1 3 186.299 0.393 10 0 ACAEHO CN1CC[C@@H]([C@H]([NH3+])C2=CCCO2)C1 575456208 352229101 /nfs/dbraw/zinc/22/91/01/352229101.db2.gz LZMPAAUABBTJGE-SCZZXKLOSA-N 1 3 182.267 0.570 10 0 ACAEHO CC(C)(C)N1CC[C@@H](NC(N)=[NH2+])C1 575479128 352298742 /nfs/dbraw/zinc/29/87/42/352298742.db2.gz FFQYFPOTGRRYNB-SSDOTTSWSA-N 1 3 184.287 0.342 10 0 ACAEHO C[C@H]1COC[C@H]1[N@@H+]1C[C@@H](C)[C@@H](N)C1 575479250 352299259 /nfs/dbraw/zinc/29/92/59/352299259.db2.gz CMPAGUMJNIIAGO-XFWSIPNHSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1COC[C@H]1[N@@H+]1C[C@@H](N)[C@H](C)C1 575479251 352299311 /nfs/dbraw/zinc/29/93/11/352299311.db2.gz CMPAGUMJNIIAGO-ZYUZMQFOSA-N 1 3 184.283 0.300 10 0 ACAEHO CC1CN([C@H](C)[C@@H](C)C[NH3+])C1 575522156 352521436 /nfs/dbraw/zinc/52/14/36/352521436.db2.gz YTWLPDVLQTVLOG-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1C[NH+]([C@H](C)[C@@H](C)CN)C1 575522156 352521437 /nfs/dbraw/zinc/52/14/37/352521437.db2.gz YTWLPDVLQTVLOG-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C2CC(O)C2)CCN1 575511490 352467067 /nfs/dbraw/zinc/46/70/67/352467067.db2.gz FMDYWYWYOFCELH-AFWXGSBKSA-N 1 3 184.283 0.240 10 0 ACAEHO CC(C)NC(=[NH2+])[C@H]1CCN(C)C1 575524044 352528394 /nfs/dbraw/zinc/52/83/94/352528394.db2.gz PZCMNIZPOWSYAE-QMMMGPOBSA-N 1 3 169.272 0.913 10 0 ACAEHO C1C[C@H]([N@@H+]2C[C@H]3CC[C@H]3C2)CN1 575526363 352539593 /nfs/dbraw/zinc/53/95/93/352539593.db2.gz UBKVYWRHDYOQQT-AEJSXWLSSA-N 1 3 166.268 0.690 10 0 ACAEHO CC1CN(C[C@]2(C)COC[C@H]2[NH3+])C1 575535166 352577985 /nfs/dbraw/zinc/57/79/85/352577985.db2.gz WFLZGPNTSNDMCF-NXEZZACHSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@H]2CC[C@H]2O)C1 575536707 352586042 /nfs/dbraw/zinc/58/60/42/352586042.db2.gz DKGSGMPMCNBOJD-QCLAVDOMSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@@H]2CC[C@H]2O)C1 575536708 352586078 /nfs/dbraw/zinc/58/60/78/352586078.db2.gz DKGSGMPMCNBOJD-SGIHWFKDSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@]1(O)CCC[N@@H+](CC2CNC2)C1 575559687 352673774 /nfs/dbraw/zinc/67/37/74/352673774.db2.gz WHFTUGRTVODUNB-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@]1(O)CCC[N@@H+](CC2CNC2)C1 575559686 352673800 /nfs/dbraw/zinc/67/38/00/352673800.db2.gz WHFTUGRTVODUNB-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1[C@H](C)C[N@@H+]1CC1(C)CNC1 575583043 352791713 /nfs/dbraw/zinc/79/17/13/352791713.db2.gz IRQYVWPWTPEGAP-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]([NH3+])CN1CCN(C)C[C@@H](C)C1 575586596 352808273 /nfs/dbraw/zinc/80/82/73/352808273.db2.gz BEYVPBIPYWHKHA-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO [NH3+]C[C@H]1CCCN([C@@H]2CC[C@H]2O)C1 575593376 352842964 /nfs/dbraw/zinc/84/29/64/352842964.db2.gz CPSDASNSRZQABU-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+]([C@@H]2CC[C@H]2O)C1 575593543 352844406 /nfs/dbraw/zinc/84/44/06/352844406.db2.gz ICNUDZOKNVOFCP-AXTSPUMRSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1[C@@H]1CC[C@H]1O 575594091 352847273 /nfs/dbraw/zinc/84/72/73/352847273.db2.gz VTJIPHPNHDKYAX-SGIHWFKDSA-N 1 3 184.283 0.321 10 0 ACAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]21 575595212 352853753 /nfs/dbraw/zinc/85/37/53/352853753.db2.gz XRJOICFAMVOCCS-KATARQTJSA-N 1 3 166.268 0.818 10 0 ACAEHO CC(C)[C@H]([NH3+])CN[C@H]1CN(C)C[C@@H]1C 643511589 352983070 /nfs/dbraw/zinc/98/30/70/352983070.db2.gz HOBBSGCHWHUYEP-AXFHLTTASA-N 1 3 199.342 0.509 10 0 ACAEHO CCC[C@H](C)NC[C@H]1C[NH2+]C[C@@H]1O 308509269 409730764 /nfs/dbraw/zinc/73/07/64/409730764.db2.gz IFBFZUIGMAUQGM-AEJSXWLSSA-N 1 3 186.299 0.345 10 0 ACAEHO [NH3+][C@@H]1C[C@H]2CCN(C1)C2 38882328 119098335 /nfs/dbraw/zinc/09/83/35/119098335.db2.gz LVJFNUWSKALVNL-RNFRBKRXSA-N 1 3 126.203 0.039 10 0 ACAEHO CC1(C)[C@H](N)CC[C@@]1(C)[NH3+] 39931726 325601892 /nfs/dbraw/zinc/60/18/92/325601892.db2.gz XBFJECMZLDVTML-HTRCEHHLSA-N 1 3 142.246 0.851 10 0 ACAEHO O[N@@H+]1C[C@@H]2CC[C@H]1C2 5134722 342998942 /nfs/dbraw/zinc/99/89/42/342998942.db2.gz QZVKSBQXBIWCOY-RITPCOANSA-N 1 3 113.160 0.860 10 0 ACAEHO O[N@H+]1C[C@@H]2CC[C@H]1C2 5134722 342998944 /nfs/dbraw/zinc/99/89/44/342998944.db2.gz QZVKSBQXBIWCOY-RITPCOANSA-N 1 3 113.160 0.860 10 0 ACAEHO CCC(C)(CN)C[NH3+] 5964829 343010687 /nfs/dbraw/zinc/01/06/87/343010687.db2.gz RHUFFBLLFAYITF-UHFFFAOYSA-N 1 3 116.208 0.320 10 0 ACAEHO CC[C@H]1CN(C)CC[C@H]1[NH3+] 6780157 343016539 /nfs/dbraw/zinc/01/65/39/343016539.db2.gz IIBJSSXWRVFQHK-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH+](C)CCn1cccc1CN 11848766 343025433 /nfs/dbraw/zinc/02/54/33/343025433.db2.gz MKYOHHXUOAOIJV-UHFFFAOYSA-N 1 3 167.256 0.508 10 0 ACAEHO CN(C)C/C=C/C[NH3+] 13858993 343037662 /nfs/dbraw/zinc/03/76/62/343037662.db2.gz HFDUQFHISFSFBW-ONEGZZNKSA-N 1 3 114.192 0.063 10 0 ACAEHO [NH3+]CCCN(C1CC1)C1CC1 19460604 343055700 /nfs/dbraw/zinc/05/57/00/343055700.db2.gz RCJWUSTZSMEMLG-UHFFFAOYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H](CCC[NH3+])N1CCN(C)CC1 19674377 343058025 /nfs/dbraw/zinc/05/80/25/343058025.db2.gz AWHWLXFASVQFPV-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@H](CCC[NH3+])N1CCOCC1 19674294 343058118 /nfs/dbraw/zinc/05/81/18/343058118.db2.gz WWMMCIFRWOPWIV-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CCCN1CC[C@@H]([NH3+])[C@H]1C 22441478 343081039 /nfs/dbraw/zinc/08/10/39/343081039.db2.gz TWDMWOCACJHZNX-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@@H](N)[C@H](C)[NH+](C)C 23067954 343082671 /nfs/dbraw/zinc/08/26/71/343082671.db2.gz OSNYMGRGGIIETC-NKWVEPMBSA-N 1 3 130.235 0.674 10 0 ACAEHO CCCN1CC[C@@H]([NH3+])[C@@H]1C 22943641 343082715 /nfs/dbraw/zinc/08/27/15/343082715.db2.gz TWDMWOCACJHZNX-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO CCCN1CC[C@H]([NH3+])[C@@H]1C 22943645 343082744 /nfs/dbraw/zinc/08/27/44/343082744.db2.gz TWDMWOCACJHZNX-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@H](N)[C@@H](C)[NH+](C)C 23067953 343082762 /nfs/dbraw/zinc/08/27/62/343082762.db2.gz OSNYMGRGGIIETC-RQJHMYQMSA-N 1 3 130.235 0.674 10 0 ACAEHO CC[C@@H](N)[C@@H](C)[NH+](C)C 23067951 343083014 /nfs/dbraw/zinc/08/30/14/343083014.db2.gz OSNYMGRGGIIETC-RNFRBKRXSA-N 1 3 130.235 0.674 10 0 ACAEHO [NH3+]C[C@H]1CC[C@@H]1N1CCC1 23889036 343084884 /nfs/dbraw/zinc/08/48/84/343084884.db2.gz YIWMHSMXQGFHNB-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CCC1 23889033 343084930 /nfs/dbraw/zinc/08/49/30/343084930.db2.gz YIWMHSMXQGFHNB-YUMQZZPRSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@H]1N1CCC1 23889038 343084933 /nfs/dbraw/zinc/08/49/33/343084933.db2.gz YIWMHSMXQGFHNB-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]C[C@H]1CC[C@H]1N1CCC1 23889041 343085077 /nfs/dbraw/zinc/08/50/77/343085077.db2.gz YIWMHSMXQGFHNB-HTQZYQBOSA-N 1 3 140.230 0.429 10 0 ACAEHO CC(C)NC[C@@H]1CC[NH2+]C1 34070479 343109275 /nfs/dbraw/zinc/10/92/75/343109275.db2.gz VJPYEYRKXXVWNA-MRVPVSSYSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)NC[C@H]1CC[NH2+]C1 34070480 343109386 /nfs/dbraw/zinc/10/93/86/343109386.db2.gz VJPYEYRKXXVWNA-QMMMGPOBSA-N 1 3 142.246 0.594 10 0 ACAEHO CCCC(CN)C[NH3+] 34305963 343115962 /nfs/dbraw/zinc/11/59/62/343115962.db2.gz HSLUUDBZCZUDIW-UHFFFAOYSA-N 1 3 116.208 0.320 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])N1C 34343620 343117034 /nfs/dbraw/zinc/11/70/34/343117034.db2.gz LEFDNIXZWZEKJG-NKWVEPMBSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])N1C 34343622 343117114 /nfs/dbraw/zinc/11/71/14/343117114.db2.gz LEFDNIXZWZEKJG-BQBZGAKWSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H](C1CC1)N1CC[C@H]([NH3+])C1 35733659 343137521 /nfs/dbraw/zinc/13/75/21/343137521.db2.gz CRCURGZTWATQFT-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO C1CCN2CCN(C3C[NH2+]C3)C[C@@H]2C1 34853118 343125528 /nfs/dbraw/zinc/12/55/28/343125528.db2.gz PIYYOSPTJGUZCI-JTQLQIEISA-N 1 3 195.310 0.128 10 0 ACAEHO CCCCC[C@@H](N)C[NH3+] 35676952 343136556 /nfs/dbraw/zinc/13/65/56/343136556.db2.gz PGGXMTDBCVGBLO-SSDOTTSWSA-N 1 3 130.235 0.853 10 0 ACAEHO C[C@H]1CCC[C@](N)(C[NH3+])C1 35676998 343136699 /nfs/dbraw/zinc/13/66/99/343136699.db2.gz ZEVKBNRUVQBVSF-JGVFFNPUSA-N 1 3 142.246 0.853 10 0 ACAEHO CC1CCC(N)(C[NH3+])CC1 35676991 343136639 /nfs/dbraw/zinc/13/66/39/343136639.db2.gz FUZKWKMBMWTPRH-UHFFFAOYSA-N 1 3 142.246 0.853 10 0 ACAEHO CCCCC[C@H](N)C[NH3+] 35676951 343136668 /nfs/dbraw/zinc/13/66/68/343136668.db2.gz PGGXMTDBCVGBLO-ZETCQYMHSA-N 1 3 130.235 0.853 10 0 ACAEHO C[C@H]1CCC[C@@](N)(C[NH3+])C1 35677000 343136740 /nfs/dbraw/zinc/13/67/40/343136740.db2.gz ZEVKBNRUVQBVSF-YUMQZZPRSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CC[C@H](N)C1 35735978 343138162 /nfs/dbraw/zinc/13/81/62/343138162.db2.gz WKYDTBRYDKVPDG-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CC[C@H](N)C1 35735978 343138164 /nfs/dbraw/zinc/13/81/64/343138164.db2.gz WKYDTBRYDKVPDG-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1COCCN1CC1CC[NH2+]CC1 35776939 343138845 /nfs/dbraw/zinc/13/88/45/343138845.db2.gz QAHOESLYJIUUGL-JTQLQIEISA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CCCCN1C[C@H](O)C[NH3+] 36057664 343140394 /nfs/dbraw/zinc/14/03/94/343140394.db2.gz IFQUCXFBCUNWFA-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)N1CCN([C@@H](C)C[NH3+])CC1 36170835 343141205 /nfs/dbraw/zinc/14/12/05/343141205.db2.gz CGFBYFQHFGRTOT-JTQLQIEISA-N 1 3 185.315 0.360 10 0 ACAEHO CCCN1CC2CC1(C[NH3+])C2 36419775 343145388 /nfs/dbraw/zinc/14/53/88/343145388.db2.gz MZNSJFVQJATVRQ-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC(C)N1CC2CC1(C[NH3+])C2 36437727 343145469 /nfs/dbraw/zinc/14/54/69/343145469.db2.gz KUSWONZHJPUZDZ-UHFFFAOYSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)[N@@H+](C)C[C@@H](C)CN 36677456 343147487 /nfs/dbraw/zinc/14/74/87/343147487.db2.gz OVYBGARNDIQOPS-QMMMGPOBSA-N 1 3 144.262 0.921 10 0 ACAEHO CC(C)[N@H+](C)C[C@@H](C)CN 36677456 343147488 /nfs/dbraw/zinc/14/74/88/343147488.db2.gz OVYBGARNDIQOPS-QMMMGPOBSA-N 1 3 144.262 0.921 10 0 ACAEHO CC(C)N(C)C[C@@H](C)C[NH3+] 36677456 343147490 /nfs/dbraw/zinc/14/74/90/343147490.db2.gz OVYBGARNDIQOPS-QMMMGPOBSA-N 1 3 144.262 0.921 10 0 ACAEHO CC(C)[N@@H+](C)C[C@H](C)CN 36677457 343147541 /nfs/dbraw/zinc/14/75/41/343147541.db2.gz OVYBGARNDIQOPS-MRVPVSSYSA-N 1 3 144.262 0.921 10 0 ACAEHO CC(C)[N@H+](C)C[C@H](C)CN 36677457 343147544 /nfs/dbraw/zinc/14/75/44/343147544.db2.gz OVYBGARNDIQOPS-MRVPVSSYSA-N 1 3 144.262 0.921 10 0 ACAEHO CC(C)N(C)C[C@H](C)C[NH3+] 36677457 343147545 /nfs/dbraw/zinc/14/75/45/343147545.db2.gz OVYBGARNDIQOPS-MRVPVSSYSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@H](CN1CCC(O)CC1)C(N)=[NH2+] 36678340 343147717 /nfs/dbraw/zinc/14/77/17/343147717.db2.gz ZMHIIOHWDCBLBO-SSDOTTSWSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H](CN1CCCN(C)CC1)C(N)=[NH2+] 36678467 343147758 /nfs/dbraw/zinc/14/77/58/343147758.db2.gz WZEOZCBSNAFODM-SECBINFHSA-N 1 3 198.314 0.196 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC(O)CC1 36677469 343147825 /nfs/dbraw/zinc/14/78/25/343147825.db2.gz QZYADSQCAPTNTE-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CCC[NH2+]C1CCNCC1 37990586 343182897 /nfs/dbraw/zinc/18/28/97/343182897.db2.gz VBTVLOFJPNXSKZ-UHFFFAOYSA-N 1 3 142.246 0.738 10 0 ACAEHO CC[C@H]([NH3+])CN1CCCN(C)CC1 36872015 343151765 /nfs/dbraw/zinc/15/17/65/343151765.db2.gz ZFPNQRSTIHDNGR-JTQLQIEISA-N 1 3 185.315 0.361 10 0 ACAEHO CN1CCCN([C@@H](C[NH3+])C2CC2)CC1 36883953 343152783 /nfs/dbraw/zinc/15/27/83/343152783.db2.gz YCFVYOUWYMFZTD-NSHDSACASA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@H](C[NH3+])CN1CCCN(C)CC1 36986772 343156707 /nfs/dbraw/zinc/15/67/07/343156707.db2.gz SIZYCEYKTLFOFU-SNVBAGLBSA-N 1 3 185.315 0.219 10 0 ACAEHO CN(C)c1cc[nH+]cc1NC(=O)CN 37013669 343157331 /nfs/dbraw/zinc/15/73/31/343157331.db2.gz GPVIAKAOXNRBEW-UHFFFAOYSA-N 1 3 194.238 0.045 10 0 ACAEHO C[C@H](N)C[N@H+](C)C1CC1 37080951 343158662 /nfs/dbraw/zinc/15/86/62/343158662.db2.gz GLLOBKDHWZVTEW-LURJTMIESA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H](N)C[N@@H+](C)C1CC1 37080951 343158664 /nfs/dbraw/zinc/15/86/64/343158664.db2.gz GLLOBKDHWZVTEW-LURJTMIESA-N 1 3 128.219 0.428 10 0 ACAEHO C[N@H+](C1CC1)[C@@H]1CCC[C@@H]1N 37080917 343158710 /nfs/dbraw/zinc/15/87/10/343158710.db2.gz UBGOACAHBBFKOK-DTWKUNHWSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1N 37080917 343158712 /nfs/dbraw/zinc/15/87/12/343158712.db2.gz UBGOACAHBBFKOK-DTWKUNHWSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@H+](C1CC1)[C@H]1CCC[C@@H]1N 37080918 343158747 /nfs/dbraw/zinc/15/87/47/343158747.db2.gz UBGOACAHBBFKOK-IUCAKERBSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@@H+](C1CC1)[C@H]1CCC[C@@H]1N 37080918 343158749 /nfs/dbraw/zinc/15/87/49/343158749.db2.gz UBGOACAHBBFKOK-IUCAKERBSA-N 1 3 154.257 0.960 10 0 ACAEHO C[NH+](C)[C@H]1CCC[C@H]1CN 37158321 343161293 /nfs/dbraw/zinc/16/12/93/343161293.db2.gz XDZIMWWEUPGYAO-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)[C@H]1CCC[C@H]1C[NH3+] 37158321 343161294 /nfs/dbraw/zinc/16/12/94/343161294.db2.gz XDZIMWWEUPGYAO-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH+](C)[C@H]1CCC[C@@H]1CN 37158317 343161301 /nfs/dbraw/zinc/16/13/01/343161301.db2.gz XDZIMWWEUPGYAO-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)[C@H]1CCC[C@@H]1C[NH3+] 37158317 343161304 /nfs/dbraw/zinc/16/13/04/343161304.db2.gz XDZIMWWEUPGYAO-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH+](C)[C@@H]1CCC[C@H]1CN 37158319 343161342 /nfs/dbraw/zinc/16/13/42/343161342.db2.gz XDZIMWWEUPGYAO-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)[C@@H]1CCC[C@H]1C[NH3+] 37158319 343161345 /nfs/dbraw/zinc/16/13/45/343161345.db2.gz XDZIMWWEUPGYAO-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CN1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 37157171 343161424 /nfs/dbraw/zinc/16/14/24/343161424.db2.gz ZDSRWULQADXGPN-MNOVXSKESA-N 1 3 197.326 0.361 10 0 ACAEHO C[NH+](C)[C@@H]1CCC[C@@H]1CN 37158315 343161559 /nfs/dbraw/zinc/16/15/59/343161559.db2.gz XDZIMWWEUPGYAO-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)[C@@H]1CCC[C@@H]1C[NH3+] 37158315 343161562 /nfs/dbraw/zinc/16/15/62/343161562.db2.gz XDZIMWWEUPGYAO-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CN1CCN([C@H]2CCC[C@H]2C[NH3+])CC1 37157175 343161643 /nfs/dbraw/zinc/16/16/43/343161643.db2.gz ZDSRWULQADXGPN-QWRGUYRKSA-N 1 3 197.326 0.361 10 0 ACAEHO CN1CCN([C@@H]2CCC[C@H]2C[NH3+])CC1 37157173 343161668 /nfs/dbraw/zinc/16/16/68/343161668.db2.gz ZDSRWULQADXGPN-WDEREUQCSA-N 1 3 197.326 0.361 10 0 ACAEHO C[N@H+](CCN)[C@H]1CCSC1 37174982 343162125 /nfs/dbraw/zinc/16/21/25/343162125.db2.gz ZKOVTTLPHJIVFC-ZETCQYMHSA-N 1 3 160.286 0.382 10 0 ACAEHO C[N@@H+](CCN)[C@H]1CCSC1 37174982 343162126 /nfs/dbraw/zinc/16/21/26/343162126.db2.gz ZKOVTTLPHJIVFC-ZETCQYMHSA-N 1 3 160.286 0.382 10 0 ACAEHO C[C@H](N)C[N@H+](C)[C@@H]1CCSC1 37175237 343162144 /nfs/dbraw/zinc/16/21/44/343162144.db2.gz QTXZJKIMHKXXMM-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@H](N)C[N@@H+](C)[C@@H]1CCSC1 37175237 343162147 /nfs/dbraw/zinc/16/21/47/343162147.db2.gz QTXZJKIMHKXXMM-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO C[N@H+](CCN)[C@@H]1CCSC1 37174981 343162155 /nfs/dbraw/zinc/16/21/55/343162155.db2.gz ZKOVTTLPHJIVFC-SSDOTTSWSA-N 1 3 160.286 0.382 10 0 ACAEHO C[N@@H+](CCN)[C@@H]1CCSC1 37174981 343162157 /nfs/dbraw/zinc/16/21/57/343162157.db2.gz ZKOVTTLPHJIVFC-SSDOTTSWSA-N 1 3 160.286 0.382 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCCN(C)C1 37208398 343162665 /nfs/dbraw/zinc/16/26/65/343162665.db2.gz FJXDNNXGAALVBA-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH2+]CCCCN1CCN(C)CC1 37477872 343170742 /nfs/dbraw/zinc/17/07/42/343170742.db2.gz LFXGXQCUCYZFRR-UHFFFAOYSA-N 1 3 185.315 0.233 10 0 ACAEHO CN1CC[C@@H](CNC2=[NH+]CCS2)C1 37485226 343171372 /nfs/dbraw/zinc/17/13/72/343171372.db2.gz GUMMOUUMKDFDMW-QMMMGPOBSA-N 1 3 199.323 0.631 10 0 ACAEHO CN1CC[C@H](CNC2=[NH+]CCS2)C1 37485225 343171680 /nfs/dbraw/zinc/17/16/80/343171680.db2.gz GUMMOUUMKDFDMW-MRVPVSSYSA-N 1 3 199.323 0.631 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1CCCNCC1 37688250 343174163 /nfs/dbraw/zinc/17/41/63/343174163.db2.gz DJMJYPMGINYIIO-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CC[C@@H](O)C[N@H+]1CCCNCC1 37688250 343174165 /nfs/dbraw/zinc/17/41/65/343174165.db2.gz DJMJYPMGINYIIO-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@@H]1O 37690829 343174504 /nfs/dbraw/zinc/17/45/04/343174504.db2.gz UJOBGCWONLLOEW-MNOVXSKESA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@@H]1CCC[C@@H]1O 37690829 343174505 /nfs/dbraw/zinc/17/45/05/343174505.db2.gz UJOBGCWONLLOEW-MNOVXSKESA-N 1 3 198.310 0.584 10 0 ACAEHO CN(C1CC[NH2+]CC1)[C@@H]1CCC[C@@H]1O 37690829 343174506 /nfs/dbraw/zinc/17/45/06/343174506.db2.gz UJOBGCWONLLOEW-MNOVXSKESA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+](CC(C)(C)O)C1CCNCC1 37692536 343174683 /nfs/dbraw/zinc/17/46/83/343174683.db2.gz AOBOWXSERVWGKF-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@@H+](CC(C)(C)O)C1CCNCC1 37692536 343174685 /nfs/dbraw/zinc/17/46/85/343174685.db2.gz AOBOWXSERVWGKF-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO CN(CC(C)(C)O)C1CC[NH2+]CC1 37692536 343174688 /nfs/dbraw/zinc/17/46/88/343174688.db2.gz AOBOWXSERVWGKF-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@H]1CCC[C@@H]1O 37690830 343174751 /nfs/dbraw/zinc/17/47/51/343174751.db2.gz UJOBGCWONLLOEW-QWRGUYRKSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@H]1CCC[C@@H]1O 37690830 343174753 /nfs/dbraw/zinc/17/47/53/343174753.db2.gz UJOBGCWONLLOEW-QWRGUYRKSA-N 1 3 198.310 0.584 10 0 ACAEHO CN(C1CC[NH2+]CC1)[C@H]1CCC[C@@H]1O 37690830 343174756 /nfs/dbraw/zinc/17/47/56/343174756.db2.gz UJOBGCWONLLOEW-QWRGUYRKSA-N 1 3 198.310 0.584 10 0 ACAEHO CC(C)[C@@H](C)[NH2+]CCCN 37713243 343176129 /nfs/dbraw/zinc/17/61/29/343176129.db2.gz OIGGAAGHRQUEGG-MRVPVSSYSA-N 1 3 144.262 0.969 10 0 ACAEHO C[C@H]([NH2+]CCCN)C1CC1 37713220 343176252 /nfs/dbraw/zinc/17/62/52/343176252.db2.gz OPTDSOPETPGEGP-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO CC(C)[C@H](C)[NH2+]CCCN 37713244 343176421 /nfs/dbraw/zinc/17/64/21/343176421.db2.gz OIGGAAGHRQUEGG-QMMMGPOBSA-N 1 3 144.262 0.969 10 0 ACAEHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1CCCO1 38040787 343183554 /nfs/dbraw/zinc/18/35/54/343183554.db2.gz AOMCITCMESWYJO-ONGXEEELSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H](NC1CC[NH2+]CC1)[C@@H]1CCCO1 38040787 343183556 /nfs/dbraw/zinc/18/35/56/343183556.db2.gz AOMCITCMESWYJO-ONGXEEELSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H]([NH2+]C1CCNCC1)[C@H]1CCCO1 38040789 343183566 /nfs/dbraw/zinc/18/35/66/343183566.db2.gz AOMCITCMESWYJO-GXSJLCMTSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@H](NC1CC[NH2+]CC1)[C@H]1CCCO1 38040789 343183568 /nfs/dbraw/zinc/18/35/68/343183568.db2.gz AOMCITCMESWYJO-GXSJLCMTSA-N 1 3 198.310 0.896 10 0 ACAEHO CNC1(CO)CC[NH+](C(C)C)CC1 38121013 343184866 /nfs/dbraw/zinc/18/48/66/343184866.db2.gz UXVGOJIHVWIDQT-UHFFFAOYSA-N 1 3 186.299 0.441 10 0 ACAEHO CNC1(CO)C[C@@H]2CC[C@H](C1)[N@@H+]2C 38121186 343185248 /nfs/dbraw/zinc/18/52/48/343185248.db2.gz FTKARQNDLGDYQO-ULKQDVFKSA-N 1 3 184.283 0.194 10 0 ACAEHO CNC1(CO)C[C@@H]2CC[C@H](C1)[N@H+]2C 38121186 343185249 /nfs/dbraw/zinc/18/52/49/343185249.db2.gz FTKARQNDLGDYQO-ULKQDVFKSA-N 1 3 184.283 0.194 10 0 ACAEHO CC(C)[NH+]1CCC(N)(CO)CC1 38124472 343185292 /nfs/dbraw/zinc/18/52/92/343185292.db2.gz ZABHHXDADFINOI-UHFFFAOYSA-N 1 3 172.272 0.180 10 0 ACAEHO C[NH+](C)[C@H]1CCNCC1(C)C 38409860 343188186 /nfs/dbraw/zinc/18/81/86/343188186.db2.gz LTVSDBIRNKOKKA-QMMMGPOBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH+](C)[C@@H]1CCNCC1(C)C 38409861 343188231 /nfs/dbraw/zinc/18/82/31/343188231.db2.gz LTVSDBIRNKOKKA-MRVPVSSYSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN[C@H](C)[C@H]1CC[NH2+]C1 38522666 343188715 /nfs/dbraw/zinc/18/87/15/343188715.db2.gz YAXNZIHOGOMMCQ-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[N@@H+]1CCC=C(CN)C1 38582247 343189490 /nfs/dbraw/zinc/18/94/90/343189490.db2.gz AKWAPUZJMYZEJA-UHFFFAOYSA-N 1 3 140.230 0.597 10 0 ACAEHO CC[N@H+]1CCC=C(CN)C1 38582247 343189492 /nfs/dbraw/zinc/18/94/92/343189492.db2.gz AKWAPUZJMYZEJA-UHFFFAOYSA-N 1 3 140.230 0.597 10 0 ACAEHO CCN1CCC=C(C[NH3+])C1 38582247 343189493 /nfs/dbraw/zinc/18/94/93/343189493.db2.gz AKWAPUZJMYZEJA-UHFFFAOYSA-N 1 3 140.230 0.597 10 0 ACAEHO CN(C)CC=C1CC[NH2+]CC1 39080558 343196911 /nfs/dbraw/zinc/19/69/11/343196911.db2.gz RBYXUVUGEQUJRE-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO C[NH2+]CCC1=CCN(C)CC1 39080546 343197091 /nfs/dbraw/zinc/19/70/91/343197091.db2.gz KNASSBFGELOGEH-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO C(CNC1CC1)C[NH2+]C1CC1 40408456 343218056 /nfs/dbraw/zinc/21/80/56/343218056.db2.gz UONFJQMFFCKTLE-UHFFFAOYSA-N 1 3 154.257 0.881 10 0 ACAEHO CC[C@H](C)[C@@H]([NH3+])CNC 40409073 343217909 /nfs/dbraw/zinc/21/79/09/343217909.db2.gz BVWYEZKLWPQVQX-BQBZGAKWSA-N 1 3 130.235 0.579 10 0 ACAEHO CC[C@H](C)[C@H]([NH3+])CNC 40409065 343217943 /nfs/dbraw/zinc/21/79/43/343217943.db2.gz BVWYEZKLWPQVQX-NKWVEPMBSA-N 1 3 130.235 0.579 10 0 ACAEHO CCCC[C@@H]([NH3+])CNC 40409186 343217978 /nfs/dbraw/zinc/21/79/78/343217978.db2.gz XLSFTUPXUYQGAL-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO C[C@H](N)CC[NH2+]CC1CC1 40409582 343217997 /nfs/dbraw/zinc/21/79/97/343217997.db2.gz DCIBLQSBHHRJAS-ZETCQYMHSA-N 1 3 142.246 0.723 10 0 ACAEHO CCCC[C@H]([NH3+])CNC 40409182 343218004 /nfs/dbraw/zinc/21/80/04/343218004.db2.gz XLSFTUPXUYQGAL-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO CN1CCC[C@@H](NC2CC[NH2+]CC2)C1 40673208 343220626 /nfs/dbraw/zinc/22/06/26/343220626.db2.gz BXLKHAAHJZCUFH-LLVKDONJSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H]([NH2+]C2CCNCC2)C1 40673208 343220628 /nfs/dbraw/zinc/22/06/28/343220628.db2.gz BXLKHAAHJZCUFH-LLVKDONJSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H](N2CC[C@H]([NH3+])C2)C1 40715847 343220985 /nfs/dbraw/zinc/22/09/85/343220985.db2.gz BQBSRMKWEOZOKV-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CCC[C@H](N2CC[C@H]([NH3+])C2)C1 40715846 343221151 /nfs/dbraw/zinc/22/11/51/343221151.db2.gz BQBSRMKWEOZOKV-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1CCN([C@@H](C)C[NH3+])C1 40717167 343221926 /nfs/dbraw/zinc/22/19/26/343221926.db2.gz IUEQVKOJLHOIID-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](CC[NH3+])N1CCC[C@H](O)C1 41042616 343226284 /nfs/dbraw/zinc/22/62/84/343226284.db2.gz NTIIBIABZIDUBQ-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CCCC1 41053707 343228356 /nfs/dbraw/zinc/22/83/56/343228356.db2.gz SRJIJFIZWNNBKA-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1CCCC1 41053705 343228491 /nfs/dbraw/zinc/22/84/91/343228491.db2.gz SRJIJFIZWNNBKA-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CCCN(C)CC1 41053766 343228566 /nfs/dbraw/zinc/22/85/66/343228566.db2.gz WBFOVWGVDOCNEI-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)N1CCN([C@H](C)[C@H](C)[NH3+])CC1 41053853 343228594 /nfs/dbraw/zinc/22/85/94/343228594.db2.gz PPIVCLSDJNCYMS-WDEREUQCSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1CCN([C@@H](C)[C@H](C)[NH3+])CC1 41053852 343228635 /nfs/dbraw/zinc/22/86/35/343228635.db2.gz PPIVCLSDJNCYMS-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1CCN([C@@H](C)[C@@H](C)[NH3+])CC1 41053850 343228659 /nfs/dbraw/zinc/22/86/59/343228659.db2.gz PPIVCLSDJNCYMS-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)C1CC1 41053786 343228694 /nfs/dbraw/zinc/22/86/94/343228694.db2.gz KYFIGAYXKQUICH-BQBZGAKWSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)C1CC1 41053786 343228697 /nfs/dbraw/zinc/22/86/97/343228697.db2.gz KYFIGAYXKQUICH-BQBZGAKWSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@H](C)[NH+](C)C 41053750 343228742 /nfs/dbraw/zinc/22/87/42/343228742.db2.gz VCRFEZWLBSZISX-WDSKDSINSA-N 1 3 116.208 0.284 10 0 ACAEHO CNCC[C@@H]1CCC[NH2+]1 42172300 343237458 /nfs/dbraw/zinc/23/74/58/343237458.db2.gz WDWKOHSFJFGUIX-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)C1CCN(C)CC1 42290317 343239592 /nfs/dbraw/zinc/23/95/92/343239592.db2.gz HHBDEDXWXLPGFV-UWVGGRQHSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)C1CCN(C)CC1 42290317 343239595 /nfs/dbraw/zinc/23/95/95/343239595.db2.gz HHBDEDXWXLPGFV-UWVGGRQHSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+](C)C1CCN(C)CC1 42290311 343239675 /nfs/dbraw/zinc/23/96/75/343239675.db2.gz HHBDEDXWXLPGFV-VHSXEESVSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+](C)C1CCN(C)CC1 42290311 343239678 /nfs/dbraw/zinc/23/96/78/343239678.db2.gz HHBDEDXWXLPGFV-VHSXEESVSA-N 1 3 199.342 0.748 10 0 ACAEHO C[NH2+]CCCN1CCCN(C)CC1 42409422 343241786 /nfs/dbraw/zinc/24/17/86/343241786.db2.gz WFUJHKZQWILIOC-UHFFFAOYSA-N 1 3 185.315 0.233 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1C 42427341 343242280 /nfs/dbraw/zinc/24/22/80/343242280.db2.gz IBPIFJFILMQHAY-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[N@H+]1C 42427341 343242282 /nfs/dbraw/zinc/24/22/82/343242282.db2.gz IBPIFJFILMQHAY-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])CN1C 42427341 343242285 /nfs/dbraw/zinc/24/22/85/343242285.db2.gz IBPIFJFILMQHAY-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1C 42427343 343242309 /nfs/dbraw/zinc/24/23/09/343242309.db2.gz IBPIFJFILMQHAY-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1C 42427343 343242310 /nfs/dbraw/zinc/24/23/10/343242310.db2.gz IBPIFJFILMQHAY-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[C@@H](C[NH3+])CN1C 42427343 343242312 /nfs/dbraw/zinc/24/23/12/343242312.db2.gz IBPIFJFILMQHAY-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](N)C[N@@H+]1CCCSCC1 42444880 343242824 /nfs/dbraw/zinc/24/28/24/343242824.db2.gz MUTXKYGSBHJLNA-QMMMGPOBSA-N 1 3 174.313 0.773 10 0 ACAEHO C[C@H](N)C[N@H+]1CCCSCC1 42444880 343242827 /nfs/dbraw/zinc/24/28/27/343242827.db2.gz MUTXKYGSBHJLNA-QMMMGPOBSA-N 1 3 174.313 0.773 10 0 ACAEHO C[C@H](C[NH3+])N1CCN(C(C)(C)C)CC1 42461703 343243718 /nfs/dbraw/zinc/24/37/18/343243718.db2.gz UAQWMSYVLBVHOK-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CN1CCC[C@H](O)C1)C(N)=[NH2+] 42468731 343243805 /nfs/dbraw/zinc/24/38/05/343243805.db2.gz CMGOBUTUORCEGN-YUMQZZPRSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H](CN1CCC[C@H](O)C1)C(N)=[NH2+] 42468734 343243925 /nfs/dbraw/zinc/24/39/25/343243925.db2.gz CMGOBUTUORCEGN-SFYZADRCSA-N 1 3 185.271 0.015 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](O)C1 42470190 343244420 /nfs/dbraw/zinc/24/44/20/343244420.db2.gz VBULDIQCQQYYHO-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](O)C1 42470190 343244423 /nfs/dbraw/zinc/24/44/23/343244423.db2.gz VBULDIQCQQYYHO-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO CN1CC[C@H](Nc2cc[nH+]cc2N)C1 42544883 343245793 /nfs/dbraw/zinc/24/57/93/343245793.db2.gz HKUGVOPZVRFTAP-QMMMGPOBSA-N 1 3 192.266 0.780 10 0 ACAEHO CN1CC[C@H](NC2CC[NH2+]CC2)C1 42546106 343246268 /nfs/dbraw/zinc/24/62/68/343246268.db2.gz UNVPBADFPNQWQI-JTQLQIEISA-N 1 3 183.299 0.032 10 0 ACAEHO CN1CC[C@@H](NC2CC[NH2+]CC2)C1 42546109 343246468 /nfs/dbraw/zinc/24/64/68/343246468.db2.gz UNVPBADFPNQWQI-SNVBAGLBSA-N 1 3 183.299 0.032 10 0 ACAEHO CCN1CCC(N(C)C(N)=[NH2+])CC1 42680177 343248252 /nfs/dbraw/zinc/24/82/52/343248252.db2.gz GBXAUSWKOFXIGJ-UHFFFAOYSA-N 1 3 184.287 0.296 10 0 ACAEHO CN1CCC[C@H](N[C@@H]2CCC[NH2+]C2)C1 43327470 343251108 /nfs/dbraw/zinc/25/11/08/343251108.db2.gz UVHSRZNNIHRNJV-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@H]([NH2+][C@@H]2CCCNC2)C1 43327470 343251109 /nfs/dbraw/zinc/25/11/09/343251109.db2.gz UVHSRZNNIHRNJV-MNOVXSKESA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 43327546 343251133 /nfs/dbraw/zinc/25/11/33/343251133.db2.gz BHYYNAXDOMLFGD-ZJUUUORDSA-N 1 3 183.299 0.032 10 0 ACAEHO CCCN[C@@H]1CCC[NH2+]C1 43323607 343251429 /nfs/dbraw/zinc/25/14/29/343251429.db2.gz CBIBYLPZGDCTJB-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CN1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 43327547 343251509 /nfs/dbraw/zinc/25/15/09/343251509.db2.gz BHYYNAXDOMLFGD-NXEZZACHSA-N 1 3 183.299 0.032 10 0 ACAEHO C[C@H](C(N)=[NH2+])N(C)C1CCN(C)CC1 43515188 343253677 /nfs/dbraw/zinc/25/36/77/343253677.db2.gz TWESBBVKAKPNSS-MRVPVSSYSA-N 1 3 198.314 0.337 10 0 ACAEHO CN(C)CCNc1cc(N)cc[nH+]1 43568230 343256288 /nfs/dbraw/zinc/25/62/88/343256288.db2.gz UKNXRSOIWBTUMY-UHFFFAOYSA-N 1 3 180.255 0.637 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CCCNCC1 44390163 343264482 /nfs/dbraw/zinc/26/44/82/343264482.db2.gz HGLZKPLTDBKJEC-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CCCNCC1 44390163 343264484 /nfs/dbraw/zinc/26/44/84/343264484.db2.gz HGLZKPLTDBKJEC-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CCCNCC1 44390157 343264542 /nfs/dbraw/zinc/26/45/42/343264542.db2.gz HGLZKPLTDBKJEC-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CCCNCC1 44390157 343264544 /nfs/dbraw/zinc/26/45/44/343264544.db2.gz HGLZKPLTDBKJEC-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[NH+](C)CCCCNCc1cc[nH]n1 45663924 343271914 /nfs/dbraw/zinc/27/19/14/343271914.db2.gz GAJDDMIMSNOHNO-UHFFFAOYSA-N 1 3 196.298 0.841 10 0 ACAEHO C[NH+](C)CCCCNCc1ncc[nH]1 45664298 343272068 /nfs/dbraw/zinc/27/20/68/343272068.db2.gz IWYNFGSJGUOCPP-UHFFFAOYSA-N 1 3 196.298 0.841 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)[C@H]([NH3+])C1 50285723 343281038 /nfs/dbraw/zinc/28/10/38/343281038.db2.gz ZXWUMSRYMMCECY-GJMOJQLCSA-N 1 3 142.246 0.709 10 0 ACAEHO C[C@@H]1CC[C@H](CN)[C@H]([NH3+])C1 50285721 343281078 /nfs/dbraw/zinc/28/10/78/343281078.db2.gz ZXWUMSRYMMCECY-BWZBUEFSSA-N 1 3 142.246 0.709 10 0 ACAEHO CCn1ccnc1NCC[NH3+] 50608070 343285492 /nfs/dbraw/zinc/28/54/92/343285492.db2.gz GIYQZIHYTDNDOH-UHFFFAOYSA-N 1 3 154.217 0.274 10 0 ACAEHO CN1CCCN(CC(C)(C)C[NH3+])CC1 51213724 343289440 /nfs/dbraw/zinc/28/94/40/343289440.db2.gz VNRPPMHGQJKKCD-UHFFFAOYSA-N 1 3 199.342 0.609 10 0 ACAEHO C[C@@H]1CCN(C[C@H](O)C[NH3+])[C@H](C)C1 51730798 343292757 /nfs/dbraw/zinc/29/27/57/343292757.db2.gz KOXFUYTWFOFDTR-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CCN(C[C@H](O)C[NH3+])[C@H](C)C1 51730800 343292918 /nfs/dbraw/zinc/29/29/18/343292918.db2.gz KOXFUYTWFOFDTR-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1N 51839616 343294396 /nfs/dbraw/zinc/29/43/96/343294396.db2.gz IHKKJCCLGFPEFY-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1N 51839616 343294397 /nfs/dbraw/zinc/29/43/97/343294397.db2.gz IHKKJCCLGFPEFY-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO CN(C[C@@H]1CC[NH2+]C1)C1CCOCC1 51889534 343295520 /nfs/dbraw/zinc/29/55/20/343295520.db2.gz WTNSTJLDUONVSM-SNVBAGLBSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 51889591 343295647 /nfs/dbraw/zinc/29/56/47/343295647.db2.gz HQVUSXYLDAUWDE-VHSXEESVSA-N 1 3 168.284 0.938 10 0 ACAEHO CNC(=[NH2+])N1CCC(N(C)C)CC1 52018663 343297490 /nfs/dbraw/zinc/29/74/90/343297490.db2.gz KICOIEZSNAMPQZ-UHFFFAOYSA-N 1 3 184.287 0.167 10 0 ACAEHO CNC(=[NH2+])N(C)C1CCN(C)CC1 52018392 343297515 /nfs/dbraw/zinc/29/75/15/343297515.db2.gz JEUNKXSWTQTMQK-UHFFFAOYSA-N 1 3 184.287 0.167 10 0 ACAEHO CNC(=[NH2+])N[C@H]1CCN2CCCC[C@H]12 52036163 343298360 /nfs/dbraw/zinc/29/83/60/343298360.db2.gz MAYROKMVVWDVED-DTWKUNHWSA-N 1 3 196.298 0.357 10 0 ACAEHO CNC(=[NH2+])N[C@@H](C)CN1CCCC1 52036099 343298471 /nfs/dbraw/zinc/29/84/71/343298471.db2.gz OEGRMDJIIDDWTE-QMMMGPOBSA-N 1 3 184.287 0.214 10 0 ACAEHO CNC(=[NH2+])N[C@H](C)CN1CCCC1 52036102 343298483 /nfs/dbraw/zinc/29/84/83/343298483.db2.gz OEGRMDJIIDDWTE-MRVPVSSYSA-N 1 3 184.287 0.214 10 0 ACAEHO CNC(=[NH2+])N[C@@H]1CCN2CCCC[C@H]12 52036159 343298491 /nfs/dbraw/zinc/29/84/91/343298491.db2.gz MAYROKMVVWDVED-RKDXNWHRSA-N 1 3 196.298 0.357 10 0 ACAEHO CCNC(=[NH2+])N(C)C1CCN(C)CC1 52036768 343298515 /nfs/dbraw/zinc/29/85/15/343298515.db2.gz AWNIGALNMXUBKM-UHFFFAOYSA-N 1 3 198.314 0.557 10 0 ACAEHO CCNC(=[NH2+])N[C@@H]1CCN2CCC[C@H]12 52044198 343299624 /nfs/dbraw/zinc/29/96/24/343299624.db2.gz CPASPMCSPSHQAN-RKDXNWHRSA-N 1 3 196.298 0.357 10 0 ACAEHO C[C@H]([NH3+])CNC1CCC1 52212352 343302327 /nfs/dbraw/zinc/30/23/27/343302327.db2.gz JKLJKSNVOAWSMV-LURJTMIESA-N 1 3 128.219 0.476 10 0 ACAEHO CNCCC[NH2+]C1CCC1 52212217 343302362 /nfs/dbraw/zinc/30/23/62/343302362.db2.gz SMNPUPUOYHAGAI-UHFFFAOYSA-N 1 3 142.246 0.738 10 0 ACAEHO C[NH2+]CCCNC1CCC1 52212217 343302363 /nfs/dbraw/zinc/30/23/63/343302363.db2.gz SMNPUPUOYHAGAI-UHFFFAOYSA-N 1 3 142.246 0.738 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@@H+]1CC[C@H](CN)C1 52289312 343304285 /nfs/dbraw/zinc/30/42/85/343304285.db2.gz DUSIUTWLUZXZQA-HLTSFMKQSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@H+]1CC[C@H](CN)C1 52289312 343304287 /nfs/dbraw/zinc/30/42/87/343304287.db2.gz DUSIUTWLUZXZQA-HLTSFMKQSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]1C[C@@H]1NC[C@@H](C)[NH3+] 52294439 343305245 /nfs/dbraw/zinc/30/52/45/343305245.db2.gz ASWBBAJWNKFSMQ-XVMARJQXSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]([NH3+])CN[C@@H]1C[C@H]1C 52294441 343305169 /nfs/dbraw/zinc/30/51/69/343305169.db2.gz ASWBBAJWNKFSMQ-FSDSQADBSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCNC1 52294347 343305177 /nfs/dbraw/zinc/30/51/77/343305177.db2.gz KLLUZWDCYZUWPH-OPRDCNLKSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCCNC1 52294346 343305200 /nfs/dbraw/zinc/30/52/00/343305200.db2.gz KLLUZWDCYZUWPH-AEJSXWLSSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[C@@H]1NC[C@@H]1CCC[NH2+]C1 52294346 343305202 /nfs/dbraw/zinc/30/52/02/343305202.db2.gz KLLUZWDCYZUWPH-AEJSXWLSSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[C@@H]1NCC(C)(C)[NH3+] 52294755 343305222 /nfs/dbraw/zinc/30/52/22/343305222.db2.gz AZVRFOVQJDMVKX-BQBZGAKWSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCNC1 52294350 343305282 /nfs/dbraw/zinc/30/52/82/343305282.db2.gz KLLUZWDCYZUWPH-IVZWLZJFSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[C@H]1NC[C@@H]1CCC[NH2+]C1 52294350 343305284 /nfs/dbraw/zinc/30/52/84/343305284.db2.gz KLLUZWDCYZUWPH-IVZWLZJFSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[C@H]1NC[C@@H](C)[NH3+] 52294444 343305289 /nfs/dbraw/zinc/30/52/89/343305289.db2.gz ASWBBAJWNKFSMQ-RRKCRQDMSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCNC1 52294342 343305305 /nfs/dbraw/zinc/30/53/05/343305305.db2.gz KLLUZWDCYZUWPH-BBBLOLIVSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CCC[NH2+]C1 52294342 343305307 /nfs/dbraw/zinc/30/53/07/343305307.db2.gz KLLUZWDCYZUWPH-BBBLOLIVSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]([NH3+])CN[C@H]1C[C@H]1C 52294436 343305312 /nfs/dbraw/zinc/30/53/12/343305312.db2.gz ASWBBAJWNKFSMQ-QYNIQEEDSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@H]1C[C@H]1NCC(C)(C)[NH3+] 52294760 343305359 /nfs/dbraw/zinc/30/53/59/343305359.db2.gz AZVRFOVQJDMVKX-NKWVEPMBSA-N 1 3 142.246 0.722 10 0 ACAEHO CN(C)C[C@H]1CC[C@@H](C[NH3+])O1 52422764 343306215 /nfs/dbraw/zinc/30/62/15/343306215.db2.gz CGIDJYJGTIYNLS-JGVFFNPUSA-N 1 3 158.245 0.054 10 0 ACAEHO CN(C)C[C@H]1CC[C@H](C[NH3+])O1 52422760 343306226 /nfs/dbraw/zinc/30/62/26/343306226.db2.gz CGIDJYJGTIYNLS-HTQZYQBOSA-N 1 3 158.245 0.054 10 0 ACAEHO CC[C@@H](C)NC[C@H](C)[NH2+]C 53493250 343314482 /nfs/dbraw/zinc/31/44/82/343314482.db2.gz COBQHFJELLWGDO-SFYZADRCSA-N 1 3 144.262 0.982 10 0 ACAEHO C[C@H](C[NH3+])N(C)[C@@H]1CCCN(C)C1 53205817 343313227 /nfs/dbraw/zinc/31/32/27/343313227.db2.gz LDVIXYJBWJEOFV-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCNC(=[NH2+])N(C)[C@H]1CCCN(C)C1 53247467 343313690 /nfs/dbraw/zinc/31/36/90/343313690.db2.gz OIXOQBZZXDDMNR-VIFPVBQESA-N 1 3 198.314 0.557 10 0 ACAEHO CN1CCC[C@H](N(C)[C@@H]2CC[NH2+]C2)C1 53245381 343313842 /nfs/dbraw/zinc/31/38/42/343313842.db2.gz ZFVZXKLKIJTWPU-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+][C@H](C)CNCC(C)C 53493231 343314313 /nfs/dbraw/zinc/31/43/13/343314313.db2.gz BYQQJQBAUHUNQX-MRVPVSSYSA-N 1 3 144.262 0.840 10 0 ACAEHO C[NH2+][C@@H](C)CNCC(C)C 53493234 343314333 /nfs/dbraw/zinc/31/43/33/343314333.db2.gz BYQQJQBAUHUNQX-QMMMGPOBSA-N 1 3 144.262 0.840 10 0 ACAEHO CC[C@H](C)NC[C@H](C)[NH2+]C 53493252 343314428 /nfs/dbraw/zinc/31/44/28/343314428.db2.gz COBQHFJELLWGDO-YUMQZZPRSA-N 1 3 144.262 0.982 10 0 ACAEHO CC[C@@H](C)NC[C@@H](C)[NH2+]C 53493246 343314602 /nfs/dbraw/zinc/31/46/02/343314602.db2.gz COBQHFJELLWGDO-HTQZYQBOSA-N 1 3 144.262 0.982 10 0 ACAEHO CN(CC[NH3+])c1ccncc1 53663577 343315162 /nfs/dbraw/zinc/31/51/62/343315162.db2.gz LUCZJSWUOIAORJ-UHFFFAOYSA-N 1 3 151.213 0.477 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CCC[C@H](O)C1 53877549 343316976 /nfs/dbraw/zinc/31/69/76/343316976.db2.gz VFJRSUZRXGNNKV-OUAUKWLOSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CCC[C@H](O)C1 53877551 343317038 /nfs/dbraw/zinc/31/70/38/343317038.db2.gz VFJRSUZRXGNNKV-GARJFASQSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@H](CN)C[NH2+]C1CCC1 54346085 343321237 /nfs/dbraw/zinc/32/12/37/343321237.db2.gz VPZLMYPQPTUIQO-SSDOTTSWSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@H](C)N1CCN(C2C[NH2+]C2)CC1 55066925 343333877 /nfs/dbraw/zinc/33/38/77/343333877.db2.gz CZIRPFKGSCMQGD-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CN(C)C[C@@H]1CCC[C@H]1[NH3+] 55483417 343335988 /nfs/dbraw/zinc/33/59/88/343335988.db2.gz DPRDFTIGFKZCPX-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)C[C@H]1CCC[C@H]1[NH3+] 55483423 343336240 /nfs/dbraw/zinc/33/62/40/343336240.db2.gz DPRDFTIGFKZCPX-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)C[C@H]1CCC[C@@H]1[NH3+] 55483413 343336389 /nfs/dbraw/zinc/33/63/89/343336389.db2.gz DPRDFTIGFKZCPX-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CCC[NH2+][C@H]1CCNC1 57450233 343337062 /nfs/dbraw/zinc/33/70/62/343337062.db2.gz SYVFICHTUJLWRR-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO CC(C)(C)N1CCN(CC(N)=[NH2+])CC1 58681207 343341095 /nfs/dbraw/zinc/34/10/95/343341095.db2.gz JNNHAYBAQGHQQC-UHFFFAOYSA-N 1 3 198.314 0.338 10 0 ACAEHO C[C@H](CCCO)N1CCC([NH3+])CC1 58826950 343341434 /nfs/dbraw/zinc/34/14/34/343341434.db2.gz AXYMDQRTDPHJHE-SECBINFHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[NH2+][C@H](C)[C@@H]1CCN(C)C1 60250319 343352545 /nfs/dbraw/zinc/35/25/45/343352545.db2.gz XIXCUAOTFHLOOM-HTQZYQBOSA-N 1 3 142.246 0.546 10 0 ACAEHO N[C@H](C[NH3+])CC1CC1 59235581 343343348 /nfs/dbraw/zinc/34/33/48/343343348.db2.gz FAIPRJDAHMOBOD-LURJTMIESA-N 1 3 114.192 0.073 10 0 ACAEHO N[C@@H](C[NH3+])CC1CC1 59235582 343343443 /nfs/dbraw/zinc/34/34/43/343343443.db2.gz FAIPRJDAHMOBOD-ZCFIWIBFSA-N 1 3 114.192 0.073 10 0 ACAEHO CC[C@H]1C[NH2+]CCCN1 59327521 343344119 /nfs/dbraw/zinc/34/41/19/343344119.db2.gz JMMAYWRNZMVHST-ZETCQYMHSA-N 1 3 128.219 0.348 10 0 ACAEHO CC[C@@H]1C[NH2+]CCCN1 59327520 343344139 /nfs/dbraw/zinc/34/41/39/343344139.db2.gz JMMAYWRNZMVHST-SSDOTTSWSA-N 1 3 128.219 0.348 10 0 ACAEHO Cc1cc(N)nc(NCC[NH+](C)C)c1 60023768 343349530 /nfs/dbraw/zinc/34/95/30/343349530.db2.gz DTLYVVXERVWLKD-UHFFFAOYSA-N 1 3 194.282 0.946 10 0 ACAEHO CC1(C)C[C@@H](N)CC[NH2+]1 60072762 343350509 /nfs/dbraw/zinc/35/05/09/343350509.db2.gz UKEHVVSQVDPYGR-LURJTMIESA-N 1 3 128.219 0.476 10 0 ACAEHO CC1(C)C[C@@H]([NH3+])CCN1 60072762 343350512 /nfs/dbraw/zinc/35/05/12/343350512.db2.gz UKEHVVSQVDPYGR-LURJTMIESA-N 1 3 128.219 0.476 10 0 ACAEHO CC1(C)C[C@H](N)CC[NH2+]1 60072760 343350636 /nfs/dbraw/zinc/35/06/36/343350636.db2.gz UKEHVVSQVDPYGR-ZCFIWIBFSA-N 1 3 128.219 0.476 10 0 ACAEHO CC1(C)C[C@H]([NH3+])CCN1 60072760 343350638 /nfs/dbraw/zinc/35/06/38/343350638.db2.gz UKEHVVSQVDPYGR-ZCFIWIBFSA-N 1 3 128.219 0.476 10 0 ACAEHO CN1CCC(=CC[NH3+])CC1 60148914 343351100 /nfs/dbraw/zinc/35/11/00/343351100.db2.gz OZATXWIOGWTXCT-UHFFFAOYSA-N 1 3 140.230 0.597 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN(C)C1 60250285 343352333 /nfs/dbraw/zinc/35/23/33/343352333.db2.gz FEQFXSCFTHUVHL-NKWVEPMBSA-N 1 3 128.219 0.285 10 0 ACAEHO C[NH2+][C@@H](C)[C@H]1CCN(C)C1 60250320 343352350 /nfs/dbraw/zinc/35/23/50/343352350.db2.gz XIXCUAOTFHLOOM-YUMQZZPRSA-N 1 3 142.246 0.546 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCN(C)C1 60250287 343352581 /nfs/dbraw/zinc/35/25/81/343352581.db2.gz FEQFXSCFTHUVHL-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO C[NH2+][C@@H](C)[C@@H]1CCN(C)C1 60250318 343352602 /nfs/dbraw/zinc/35/26/02/343352602.db2.gz XIXCUAOTFHLOOM-JGVFFNPUSA-N 1 3 142.246 0.546 10 0 ACAEHO C[NH2+][C@H](C)[C@H]1CCN(C)C1 60250321 343352634 /nfs/dbraw/zinc/35/26/34/343352634.db2.gz XIXCUAOTFHLOOM-SFYZADRCSA-N 1 3 142.246 0.546 10 0 ACAEHO C[NH2+]C(C)(C)CN1CCCN(C)CC1 61319519 343356265 /nfs/dbraw/zinc/35/62/65/343356265.db2.gz ZNZVTHANKZWNDQ-UHFFFAOYSA-N 1 3 199.342 0.622 10 0 ACAEHO C[N@H+](CC1CCC1)[C@@H]1COCC[C@@H]1N 61455989 343356834 /nfs/dbraw/zinc/35/68/34/343356834.db2.gz BJBAYSMHNXIKNX-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](CC1CCC1)[C@@H]1COCC[C@@H]1N 61455989 343356838 /nfs/dbraw/zinc/35/68/38/343356838.db2.gz BJBAYSMHNXIKNX-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C)C[C@@H]1CCCN1[C@@H]1CC[NH2+]C1 61644391 343358397 /nfs/dbraw/zinc/35/83/97/343358397.db2.gz HIPOGYFKISZUEK-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CN(C)C[C@H]1CCCN1[C@@H]1CC[NH2+]C1 61644392 343358519 /nfs/dbraw/zinc/35/85/19/343358519.db2.gz HIPOGYFKISZUEK-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H](O)C1 61710118 343361657 /nfs/dbraw/zinc/36/16/57/343361657.db2.gz GLJGIMLLGUDPIX-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](O)C1 61710118 343361660 /nfs/dbraw/zinc/36/16/60/343361660.db2.gz GLJGIMLLGUDPIX-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 61710120 343361883 /nfs/dbraw/zinc/36/18/83/343361883.db2.gz GLJGIMLLGUDPIX-GUBZILKMSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 61710120 343361884 /nfs/dbraw/zinc/36/18/84/343361884.db2.gz GLJGIMLLGUDPIX-GUBZILKMSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+][C@@H]1CCCC[C@H]1CN1CC[C@H](O)C1 61712007 343362349 /nfs/dbraw/zinc/36/23/49/343362349.db2.gz RJQQCEMKJJHDGN-GARJFASQSA-N 1 3 198.310 0.571 10 0 ACAEHO NCC1(C[N@@H+]2CC[C@H](O)C2)CCCC1 61711839 343362370 /nfs/dbraw/zinc/36/23/70/343362370.db2.gz WFHZTERJLIGCDE-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO NCC1(C[N@H+]2CC[C@H](O)C2)CCCC1 61711839 343362371 /nfs/dbraw/zinc/36/23/71/343362371.db2.gz WFHZTERJLIGCDE-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CC[C@H](O)C1 61711951 343362542 /nfs/dbraw/zinc/36/25/42/343362542.db2.gz YNOPVXJGGGXHOF-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](O)C1 61711398 343362568 /nfs/dbraw/zinc/36/25/68/343362568.db2.gz PJTZPZJSZQTYRO-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](O)C1 61711398 343362570 /nfs/dbraw/zinc/36/25/70/343362570.db2.gz PJTZPZJSZQTYRO-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO NCC1(C[N@@H+]2CC[C@@H](O)C2)CCCC1 61711840 343362579 /nfs/dbraw/zinc/36/25/79/343362579.db2.gz WFHZTERJLIGCDE-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO NCC1(C[N@H+]2CC[C@@H](O)C2)CCCC1 61711840 343362583 /nfs/dbraw/zinc/36/25/83/343362583.db2.gz WFHZTERJLIGCDE-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](O)C1 61711399 343362603 /nfs/dbraw/zinc/36/26/03/343362603.db2.gz PJTZPZJSZQTYRO-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](O)C1 61711399 343362604 /nfs/dbraw/zinc/36/26/04/343362604.db2.gz PJTZPZJSZQTYRO-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@@H]1CCCC[C@@H]1CN1CC[C@H](O)C1 61712009 343362627 /nfs/dbraw/zinc/36/26/27/343362627.db2.gz RJQQCEMKJJHDGN-OUAUKWLOSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CC[C@H](O)C1 61711950 343362634 /nfs/dbraw/zinc/36/26/34/343362634.db2.gz YNOPVXJGGGXHOF-KXUCPTDWSA-N 1 3 184.283 0.180 10 0 ACAEHO CC1(C)CCN(C[C@@H](O)C[NH3+])CC1 61819205 343363965 /nfs/dbraw/zinc/36/39/65/343363965.db2.gz LSKCLSLFRMFBAH-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC1(C)CCN(C[C@H](O)C[NH3+])CC1 61819204 343364087 /nfs/dbraw/zinc/36/40/87/343364087.db2.gz LSKCLSLFRMFBAH-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CC[NH3+])N1CCCOCC1 61914900 343366914 /nfs/dbraw/zinc/36/69/14/343366914.db2.gz VCUCPSQKMLNIRI-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)C(N)=[NH2+])CCCO1 61918985 343366923 /nfs/dbraw/zinc/36/69/23/343366923.db2.gz AQTFSGLUWZLPHG-BDAKNGLRSA-N 1 3 199.298 0.669 10 0 ACAEHO C[C@H]1CN(CCC(N)=[NH2+])CCCO1 61918981 343366955 /nfs/dbraw/zinc/36/69/55/343366955.db2.gz JBCQHTDOVMNOFU-QMMMGPOBSA-N 1 3 185.271 0.423 10 0 ACAEHO C[C@@H]([C@@H](C)N)[N@@H+]1CCCO[C@H](C)C1 61916975 343366974 /nfs/dbraw/zinc/36/69/74/343366974.db2.gz GYPVKUQGHVAYQG-BBBLOLIVSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@@H]([C@@H](C)N)[N@H+]1CCCO[C@H](C)C1 61916975 343366975 /nfs/dbraw/zinc/36/69/75/343366975.db2.gz GYPVKUQGHVAYQG-BBBLOLIVSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](CN1CCCOCC1)C(N)=[NH2+] 61919010 343367037 /nfs/dbraw/zinc/36/70/37/343367037.db2.gz MVCJLFUICICFHK-MRVPVSSYSA-N 1 3 185.271 0.281 10 0 ACAEHO C[C@@H]1CN(C[C@@H](C)C(N)=[NH2+])CCCO1 61918984 343367052 /nfs/dbraw/zinc/36/70/52/343367052.db2.gz AQTFSGLUWZLPHG-RKDXNWHRSA-N 1 3 199.298 0.669 10 0 ACAEHO C[C@H]1C[N@H+]([C@@H](C)CN)CCCO1 61914758 343367146 /nfs/dbraw/zinc/36/71/46/343367146.db2.gz ZWLGYXXRLSGVNX-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H]1C[N@@H+]([C@@H](C)CN)CCCO1 61914758 343367148 /nfs/dbraw/zinc/36/71/48/343367148.db2.gz ZWLGYXXRLSGVNX-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H](C[NH3+])CN1CCCOCC1 61914980 343367183 /nfs/dbraw/zinc/36/71/83/343367183.db2.gz REDJENGELFZLNF-SECBINFHSA-N 1 3 172.272 0.304 10 0 ACAEHO C[C@@H](CN1CCCOCC1)C(N)=[NH2+] 61919009 343367273 /nfs/dbraw/zinc/36/72/73/343367273.db2.gz MVCJLFUICICFHK-QMMMGPOBSA-N 1 3 185.271 0.281 10 0 ACAEHO C[C@H]1CN(CC[C@@H](C)[NH3+])CCCO1 61916928 343367371 /nfs/dbraw/zinc/36/73/71/343367371.db2.gz VTWMBDQGRHRKPU-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1CN(CCC(N)=[NH2+])CCCO1 61918980 343367418 /nfs/dbraw/zinc/36/74/18/343367418.db2.gz JBCQHTDOVMNOFU-MRVPVSSYSA-N 1 3 185.271 0.423 10 0 ACAEHO C[C@H]1CN([C@@H](C)CC[NH3+])CCCO1 61914724 343367483 /nfs/dbraw/zinc/36/74/83/343367483.db2.gz VVYNPQSGNBBRKL-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CN1CC[C@@](CN)([NH+]2CCCC2)C1 61989992 343368470 /nfs/dbraw/zinc/36/84/70/343368470.db2.gz CKOVXRVYGBUKHN-JTQLQIEISA-N 1 3 183.299 0.115 10 0 ACAEHO CN1CC[C@@](C[NH3+])(N2CCCC2)C1 61989992 343368471 /nfs/dbraw/zinc/36/84/71/343368471.db2.gz CKOVXRVYGBUKHN-JTQLQIEISA-N 1 3 183.299 0.115 10 0 ACAEHO CN1CC[C@@](CN)([NH+]2CCCCC2)C1 61990060 343368570 /nfs/dbraw/zinc/36/85/70/343368570.db2.gz NIKUNMMZVVLENJ-NSHDSACASA-N 1 3 197.326 0.505 10 0 ACAEHO CN1CC[C@@](C[NH3+])(N2CCCCC2)C1 61990060 343368572 /nfs/dbraw/zinc/36/85/72/343368572.db2.gz NIKUNMMZVVLENJ-NSHDSACASA-N 1 3 197.326 0.505 10 0 ACAEHO CN1CC[C@H](C[NH2+][C@@H]2CCN(C)C2)C1 61988920 343368599 /nfs/dbraw/zinc/36/85/99/343368599.db2.gz WIOCWFHSKRVEPQ-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@@H](NC[C@H]2CC[N@H+](C)C2)C1 61988920 343368600 /nfs/dbraw/zinc/36/86/00/343368600.db2.gz WIOCWFHSKRVEPQ-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@@H](NC[C@H]2CC[N@@H+](C)C2)C1 61988920 343368601 /nfs/dbraw/zinc/36/86/01/343368601.db2.gz WIOCWFHSKRVEPQ-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CN(C)[C@]1(CN)CC[N@@H+](C2CC2)C1 61990086 343368615 /nfs/dbraw/zinc/36/86/15/343368615.db2.gz ODJWZFMVGDHOKA-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C)[C@]1(CN)CC[N@H+](C2CC2)C1 61990086 343368616 /nfs/dbraw/zinc/36/86/16/343368616.db2.gz ODJWZFMVGDHOKA-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C)[C@]1(C[NH3+])CCN(C2CC2)C1 61990086 343368617 /nfs/dbraw/zinc/36/86/17/343368617.db2.gz ODJWZFMVGDHOKA-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CC(C)[N@H+](C)[C@@]1(CN)CCN(C)C1 61990039 343368644 /nfs/dbraw/zinc/36/86/44/343368644.db2.gz BXXNADJTCBFWDK-SNVBAGLBSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)[N@@H+](C)[C@@]1(CN)CCN(C)C1 61990039 343368645 /nfs/dbraw/zinc/36/86/45/343368645.db2.gz BXXNADJTCBFWDK-SNVBAGLBSA-N 1 3 185.315 0.360 10 0 ACAEHO CN1CC[C@](CN)([NH+]2CCCCC2)C1 61990061 343368749 /nfs/dbraw/zinc/36/87/49/343368749.db2.gz NIKUNMMZVVLENJ-LLVKDONJSA-N 1 3 197.326 0.505 10 0 ACAEHO CN1CC[C@](C[NH3+])(N2CCCCC2)C1 61990061 343368750 /nfs/dbraw/zinc/36/87/50/343368750.db2.gz NIKUNMMZVVLENJ-LLVKDONJSA-N 1 3 197.326 0.505 10 0 ACAEHO CN(C)[C@@]1(CN)CC[N@@H+](C2CC2)C1 61990087 343368767 /nfs/dbraw/zinc/36/87/67/343368767.db2.gz ODJWZFMVGDHOKA-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C)[C@@]1(CN)CC[N@H+](C2CC2)C1 61990087 343368769 /nfs/dbraw/zinc/36/87/69/343368769.db2.gz ODJWZFMVGDHOKA-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C)[C@@]1(C[NH3+])CCN(C2CC2)C1 61990087 343368770 /nfs/dbraw/zinc/36/87/70/343368770.db2.gz ODJWZFMVGDHOKA-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@](C[NH3+])(N(C)C2CC2)C1 61990167 343368853 /nfs/dbraw/zinc/36/88/53/343368853.db2.gz KNUYTKDEEOZYQU-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C1CC1)[C@@]1(CN)CC[N@H+](C)C1 61990167 343368855 /nfs/dbraw/zinc/36/88/55/343368855.db2.gz KNUYTKDEEOZYQU-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C1CC1)[C@@]1(CN)CC[N@@H+](C)C1 61990167 343368857 /nfs/dbraw/zinc/36/88/57/343368857.db2.gz KNUYTKDEEOZYQU-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@](CN)([NH+]2CCCC2)C1 61989993 343368880 /nfs/dbraw/zinc/36/88/80/343368880.db2.gz CKOVXRVYGBUKHN-SNVBAGLBSA-N 1 3 183.299 0.115 10 0 ACAEHO CN1CC[C@](C[NH3+])(N2CCCC2)C1 61989993 343368881 /nfs/dbraw/zinc/36/88/81/343368881.db2.gz CKOVXRVYGBUKHN-SNVBAGLBSA-N 1 3 183.299 0.115 10 0 ACAEHO CN1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2)C1 61988922 343368922 /nfs/dbraw/zinc/36/89/22/343368922.db2.gz WIOCWFHSKRVEPQ-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@@H](NC[C@@H]2CC[N@H+](C)C2)C1 61988922 343368923 /nfs/dbraw/zinc/36/89/23/343368923.db2.gz WIOCWFHSKRVEPQ-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@@H](NC[C@@H]2CC[N@@H+](C)C2)C1 61988922 343368925 /nfs/dbraw/zinc/36/89/25/343368925.db2.gz WIOCWFHSKRVEPQ-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@@](C[NH3+])(N(C)C2CC2)C1 61990166 343368973 /nfs/dbraw/zinc/36/89/73/343368973.db2.gz KNUYTKDEEOZYQU-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C1CC1)[C@]1(CN)CC[N@H+](C)C1 61990166 343368974 /nfs/dbraw/zinc/36/89/74/343368974.db2.gz KNUYTKDEEOZYQU-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CN(C1CC1)[C@]1(CN)CC[N@@H+](C)C1 61990166 343368975 /nfs/dbraw/zinc/36/89/75/343368975.db2.gz KNUYTKDEEOZYQU-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CC(C)[N@H+](C)[C@]1(CN)CCN(C)C1 61990038 343369000 /nfs/dbraw/zinc/36/90/00/343369000.db2.gz BXXNADJTCBFWDK-JTQLQIEISA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)[N@@H+](C)[C@]1(CN)CCN(C)C1 61990038 343369002 /nfs/dbraw/zinc/36/90/02/343369002.db2.gz BXXNADJTCBFWDK-JTQLQIEISA-N 1 3 185.315 0.360 10 0 ACAEHO CN1CC[C@@H](N2CCC([NH3+])CC2)C1 61991713 343369317 /nfs/dbraw/zinc/36/93/17/343369317.db2.gz ZAGCJQTZJDMOMF-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@@H](N2CCCC[C@@H]2C[NH3+])C1 61991753 343369368 /nfs/dbraw/zinc/36/93/68/343369368.db2.gz VVHRTIIVRMPYDT-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CC[C@@H](N2CCC[C@H]([NH3+])C2)C1 61991741 343369483 /nfs/dbraw/zinc/36/94/83/343369483.db2.gz RBWFLQHXRUQTPQ-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H](N2CCC([NH3+])CC2)C1 61991712 343369544 /nfs/dbraw/zinc/36/95/44/343369544.db2.gz ZAGCJQTZJDMOMF-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H](N2CCC[C@H]([NH3+])C2)C1 61991740 343369563 /nfs/dbraw/zinc/36/95/63/343369563.db2.gz RBWFLQHXRUQTPQ-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H](N2CCCC[C@@H]2C[NH3+])C1 61991752 343369582 /nfs/dbraw/zinc/36/95/82/343369582.db2.gz VVHRTIIVRMPYDT-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CC1(C)C[C@H]1NC[C@H]1CC[NH2+]C1 62117126 343371077 /nfs/dbraw/zinc/37/10/77/343371077.db2.gz VTMDDEGQIVJWMJ-DTWKUNHWSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(C)C[C@@H]1NC[C@H]1CC[NH2+]C1 62117125 343371161 /nfs/dbraw/zinc/37/11/61/343371161.db2.gz VTMDDEGQIVJWMJ-IUCAKERBSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]1C[C@H]1NC[C@@H]1CC[NH2+]C1 62117147 343371300 /nfs/dbraw/zinc/37/13/00/343371300.db2.gz MGWWVMVXBYLPEH-IWSPIJDZSA-N 1 3 154.257 0.594 10 0 ACAEHO CC1(C)C[C@@H]1NC[C@@H]1CC[NH2+]C1 62117123 343371308 /nfs/dbraw/zinc/37/13/08/343371308.db2.gz VTMDDEGQIVJWMJ-BDAKNGLRSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[C@@H]1NC[C@@H]1CC[NH2+]C1 62117146 343371312 /nfs/dbraw/zinc/37/13/12/343371312.db2.gz MGWWVMVXBYLPEH-YIZRAAEISA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[C@H]1NC[C@@H]1CC[NH2+]C1 62117148 343371385 /nfs/dbraw/zinc/37/13/85/343371385.db2.gz MGWWVMVXBYLPEH-DJLDLDEBSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1C[C@@H]1NC[C@@H]1CC[NH2+]C1 62117145 343371433 /nfs/dbraw/zinc/37/14/33/343371433.db2.gz MGWWVMVXBYLPEH-HLTSFMKQSA-N 1 3 154.257 0.594 10 0 ACAEHO CC1(C)C[C@H]1NC[C@@H]1CC[NH2+]C1 62117124 343371443 /nfs/dbraw/zinc/37/14/43/343371443.db2.gz VTMDDEGQIVJWMJ-RKDXNWHRSA-N 1 3 168.284 0.984 10 0 ACAEHO CC(C)[C@H]1C[N@H+](C)CCCN1 62566371 343375155 /nfs/dbraw/zinc/37/51/55/343375155.db2.gz BRMLCAWQPFZIMV-SECBINFHSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)[C@H]1C[N@@H+](C)CCCN1 62566371 343375157 /nfs/dbraw/zinc/37/51/57/343375157.db2.gz BRMLCAWQPFZIMV-SECBINFHSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)[C@H]1C[NH2+]CCCN1 62566264 343375392 /nfs/dbraw/zinc/37/53/92/343375392.db2.gz RPVNEAMNGURCMS-MRVPVSSYSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)[C@@H]1C[N@H+](C)CCCN1 62566370 343375514 /nfs/dbraw/zinc/37/55/14/343375514.db2.gz BRMLCAWQPFZIMV-VIFPVBQESA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)[C@@H]1C[N@@H+](C)CCCN1 62566370 343375516 /nfs/dbraw/zinc/37/55/16/343375516.db2.gz BRMLCAWQPFZIMV-VIFPVBQESA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)[C@@H]1C[NH2+]CCCN1 62566263 343375656 /nfs/dbraw/zinc/37/56/56/343375656.db2.gz RPVNEAMNGURCMS-QMMMGPOBSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H]1CCN(CCN(C)C)CC[NH2+]1 62567259 343376126 /nfs/dbraw/zinc/37/61/26/343376126.db2.gz UYGDWRQGCLRWEQ-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@H]1CNCC[N@@H+]1C1CCN(C)CC1 62568018 343376136 /nfs/dbraw/zinc/37/61/36/343376136.db2.gz IERMEHUJHGXXEN-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1CNCC[N@H+]1C1CCN(C)CC1 62568018 343376137 /nfs/dbraw/zinc/37/61/37/343376137.db2.gz IERMEHUJHGXXEN-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1C[NH2+]CCN1C1CCN(C)CC1 62568018 343376138 /nfs/dbraw/zinc/37/61/38/343376138.db2.gz IERMEHUJHGXXEN-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1CN(CCN(C)C)[C@H](C)C[NH2+]1 62567242 343376296 /nfs/dbraw/zinc/37/62/96/343376296.db2.gz HSIWUPGZBYZUJP-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@H]1C[N@H+](C[C@@H]2CCCO2)CCCN1 62568206 343376386 /nfs/dbraw/zinc/37/63/86/343376386.db2.gz NQOPMALODVOUAT-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCCN1 62568206 343376388 /nfs/dbraw/zinc/37/63/88/343376388.db2.gz NQOPMALODVOUAT-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C)CN1CCN(C)C 62567240 343376413 /nfs/dbraw/zinc/37/64/13/343376413.db2.gz HSIWUPGZBYZUJP-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@H]1CN(CCN(C)C)[C@@H](C)C[NH2+]1 62567244 343376456 /nfs/dbraw/zinc/37/64/56/343376456.db2.gz HSIWUPGZBYZUJP-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO [NH3+]CC1CCN(Cc2cnc[nH]2)CC1 62821817 343382512 /nfs/dbraw/zinc/38/25/12/343382512.db2.gz QTRUDFPJNKKLGB-UHFFFAOYSA-N 1 3 194.282 0.580 10 0 ACAEHO CC[C@@]1(CN)CCC[NH2+]C1 62862290 343383525 /nfs/dbraw/zinc/38/35/25/343383525.db2.gz YVMIAIGGZDLDFX-QMMMGPOBSA-N 1 3 142.246 0.725 10 0 ACAEHO C[NH2+]C[C@@]1(C)CCCNC1 62862261 343383549 /nfs/dbraw/zinc/38/35/49/343383549.db2.gz WJQNIMQYRIRMKE-MRVPVSSYSA-N 1 3 142.246 0.596 10 0 ACAEHO CC[NH2+]C[C@@]1(C)CCCNC1 62862268 343383566 /nfs/dbraw/zinc/38/35/66/343383566.db2.gz VLVUGIPOZDNIBV-SECBINFHSA-N 1 3 156.273 0.986 10 0 ACAEHO CC[NH2+]C[C@]1(C)CCCNC1 62862267 343383619 /nfs/dbraw/zinc/38/36/19/343383619.db2.gz VLVUGIPOZDNIBV-VIFPVBQESA-N 1 3 156.273 0.986 10 0 ACAEHO CC[C@]1(CN)CCC[NH2+]C1 62862289 343383651 /nfs/dbraw/zinc/38/36/51/343383651.db2.gz YVMIAIGGZDLDFX-MRVPVSSYSA-N 1 3 142.246 0.725 10 0 ACAEHO C[NH2+]C[C@]1(C)CCCNC1 62862262 343383676 /nfs/dbraw/zinc/38/36/76/343383676.db2.gz WJQNIMQYRIRMKE-QMMMGPOBSA-N 1 3 142.246 0.596 10 0 ACAEHO CC[C@]1(CNC)CC[NH2+]C1 62911435 343384566 /nfs/dbraw/zinc/38/45/66/343384566.db2.gz QGNZIIWFSUSEFQ-MRVPVSSYSA-N 1 3 142.246 0.596 10 0 ACAEHO CC(C)NC[C@]1(C)CC[NH2+]C1 62911391 343384593 /nfs/dbraw/zinc/38/45/93/343384593.db2.gz DDSSFRFQXKDOTF-SECBINFHSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@]1(CNC2CC2)CC[NH2+]C1 62911415 343384612 /nfs/dbraw/zinc/38/46/12/343384612.db2.gz NKIDDWMQMVEKEO-VIFPVBQESA-N 1 3 154.257 0.738 10 0 ACAEHO CCNC[C@@]1(C)CC[NH2+]C1 62911440 343384683 /nfs/dbraw/zinc/38/46/83/343384683.db2.gz ZENBRLPBZVRDBM-MRVPVSSYSA-N 1 3 142.246 0.596 10 0 ACAEHO CNC[C@@]1(C)CC[NH2+]C1 62911433 343384715 /nfs/dbraw/zinc/38/47/15/343384715.db2.gz QUKPMCFHCLEPOV-SSDOTTSWSA-N 1 3 128.219 0.205 10 0 ACAEHO CC(C)NC[C@@]1(C)CC[NH2+]C1 62911392 343384740 /nfs/dbraw/zinc/38/47/40/343384740.db2.gz DDSSFRFQXKDOTF-VIFPVBQESA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@]1(CNC2CC2)CC[NH2+]C1 62911416 343384764 /nfs/dbraw/zinc/38/47/64/343384764.db2.gz NKIDDWMQMVEKEO-SECBINFHSA-N 1 3 154.257 0.738 10 0 ACAEHO CNC[C@]1(C)CC[NH2+]C1 62911434 343384771 /nfs/dbraw/zinc/38/47/71/343384771.db2.gz QUKPMCFHCLEPOV-ZETCQYMHSA-N 1 3 128.219 0.205 10 0 ACAEHO CC[C@@]1(CNC)CC[NH2+]C1 62911436 343384816 /nfs/dbraw/zinc/38/48/16/343384816.db2.gz QGNZIIWFSUSEFQ-QMMMGPOBSA-N 1 3 142.246 0.596 10 0 ACAEHO CNC(=[NH2+])N1CC[C@@H](N2CCCC2)C1 62985215 343389156 /nfs/dbraw/zinc/38/91/56/343389156.db2.gz PQPLOCBKFNDCSQ-SECBINFHSA-N 1 3 196.298 0.311 10 0 ACAEHO CNC(=[NH2+])N1CC[C@H](N2CCCC2)C1 62985214 343389183 /nfs/dbraw/zinc/38/91/83/343389183.db2.gz PQPLOCBKFNDCSQ-VIFPVBQESA-N 1 3 196.298 0.311 10 0 ACAEHO NC(=[NH2+])N1CC[C@H](N2CCCC2)C1 62985213 343389272 /nfs/dbraw/zinc/38/92/72/343389272.db2.gz YDWOUFJNPPJSGT-QMMMGPOBSA-N 1 3 182.271 0.050 10 0 ACAEHO NC(=[NH2+])N1CC[C@@H](N2CCCC2)C1 62985212 343389282 /nfs/dbraw/zinc/38/92/82/343389282.db2.gz YDWOUFJNPPJSGT-MRVPVSSYSA-N 1 3 182.271 0.050 10 0 ACAEHO CC(=[NH2+])NC1CCN(C)CC1 62987155 343390298 /nfs/dbraw/zinc/39/02/98/343390298.db2.gz SYBMNXFOUVYRFC-UHFFFAOYSA-N 1 3 155.245 0.667 10 0 ACAEHO CC(=[NH2+])N[C@H]1CCN2CCC[C@H]12 62987445 343390629 /nfs/dbraw/zinc/39/06/29/343390629.db2.gz JSRTWUSYPIQHCE-DTWKUNHWSA-N 1 3 167.256 0.810 10 0 ACAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1C 63195910 343405905 /nfs/dbraw/zinc/40/59/05/343405905.db2.gz NLFHYOJZXRNGHA-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C 63195910 343405903 /nfs/dbraw/zinc/40/59/03/343405903.db2.gz NLFHYOJZXRNGHA-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1C 63195911 343405917 /nfs/dbraw/zinc/40/59/17/343405917.db2.gz NLFHYOJZXRNGHA-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](N)[C@@H]1CCCC[N@H+]1C 63195911 343405919 /nfs/dbraw/zinc/40/59/19/343405919.db2.gz NLFHYOJZXRNGHA-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1C 63195912 343406139 /nfs/dbraw/zinc/40/61/39/343406139.db2.gz NLFHYOJZXRNGHA-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H](N)[C@H]1CCCC[N@H+]1C 63195912 343406141 /nfs/dbraw/zinc/40/61/41/343406141.db2.gz NLFHYOJZXRNGHA-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](N)[C@H]1CCCC[N@@H+]1C 63195913 343406178 /nfs/dbraw/zinc/40/61/78/343406178.db2.gz NLFHYOJZXRNGHA-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](N)[C@H]1CCCC[N@H+]1C 63195913 343406179 /nfs/dbraw/zinc/40/61/79/343406179.db2.gz NLFHYOJZXRNGHA-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CC1 66354641 343410373 /nfs/dbraw/zinc/41/03/73/343410373.db2.gz CAZWZOFUXCIGSR-CBAPKCEASA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1NC1CC1 66354641 343410375 /nfs/dbraw/zinc/41/03/75/343410375.db2.gz CAZWZOFUXCIGSR-CBAPKCEASA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CC1 66354644 343410438 /nfs/dbraw/zinc/41/04/38/343410438.db2.gz CAZWZOFUXCIGSR-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1NC1CC1 66354644 343410439 /nfs/dbraw/zinc/41/04/39/343410439.db2.gz CAZWZOFUXCIGSR-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO CN1CCCN(C[C@H]([NH3+])C2CC2)CC1 68893755 343414159 /nfs/dbraw/zinc/41/41/59/343414159.db2.gz YLVPXXSYCKURAE-NSHDSACASA-N 1 3 197.326 0.361 10 0 ACAEHO C[C@H](C[NH3+])Nc1ccncc1 69051923 343425278 /nfs/dbraw/zinc/42/52/78/343425278.db2.gz MSIPLXOZGIDDJV-SSDOTTSWSA-N 1 3 151.213 0.841 10 0 ACAEHO CSCC[NH2+]C1CCNCC1 68995134 343420264 /nfs/dbraw/zinc/42/02/64/343420264.db2.gz NHMISKSWOFLISN-UHFFFAOYSA-N 1 3 174.313 0.691 10 0 ACAEHO CSCCNC1CC[NH2+]CC1 68995134 343420267 /nfs/dbraw/zinc/42/02/67/343420267.db2.gz NHMISKSWOFLISN-UHFFFAOYSA-N 1 3 174.313 0.691 10 0 ACAEHO CC[N@@H+]1CC[C@@H](C)[C@H](N)C1 69718470 343435512 /nfs/dbraw/zinc/43/55/12/343435512.db2.gz MUHBXUINLBIRNY-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@@H](C)[C@H](N)C1 69718470 343435513 /nfs/dbraw/zinc/43/55/13/343435513.db2.gz MUHBXUINLBIRNY-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CN1CC/C(=C\C[NH3+])C1 69049978 343424197 /nfs/dbraw/zinc/42/41/97/343424197.db2.gz ADIDSBTUWKISTI-FARCUNLSSA-N 1 3 126.203 0.207 10 0 ACAEHO CCN1CCC(=CC[NH3+])CC1 69049628 343424227 /nfs/dbraw/zinc/42/42/27/343424227.db2.gz CQEVEBAEGZZYIT-UHFFFAOYSA-N 1 3 154.257 0.987 10 0 ACAEHO CN1CC/C(=C\CC[NH3+])C1 69050651 343424820 /nfs/dbraw/zinc/42/48/20/343424820.db2.gz DTYVZLDXQWGMER-FPYGCLRLSA-N 1 3 140.230 0.597 10 0 ACAEHO CN1CCC(=CCC[NH3+])CC1 69050472 343424833 /nfs/dbraw/zinc/42/48/33/343424833.db2.gz ULNMZSIPBPMXJS-UHFFFAOYSA-N 1 3 154.257 0.987 10 0 ACAEHO C[C@@H](C[NH3+])Nc1ccncc1 69051921 343425300 /nfs/dbraw/zinc/42/53/00/343425300.db2.gz MSIPLXOZGIDDJV-ZETCQYMHSA-N 1 3 151.213 0.841 10 0 ACAEHO NC[C@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606378 343426220 /nfs/dbraw/zinc/42/62/20/343426220.db2.gz DKFFOINIVMEKRR-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606378 343426222 /nfs/dbraw/zinc/42/62/22/343426222.db2.gz DKFFOINIVMEKRR-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1 69606377 343426592 /nfs/dbraw/zinc/42/65/92/343426592.db2.gz DKFFOINIVMEKRR-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO NC[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1 69606377 343426594 /nfs/dbraw/zinc/42/65/94/343426594.db2.gz DKFFOINIVMEKRR-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+]CC[C@H]1CCCCN1[C@@H]1CCOC1 69626322 343427357 /nfs/dbraw/zinc/42/73/57/343427357.db2.gz MFPZAEUCKZWQIN-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]CC[C@@H]1CCCCN1[C@@H]1CCOC1 69626320 343427495 /nfs/dbraw/zinc/42/74/95/343427495.db2.gz MFPZAEUCKZWQIN-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H]1CN([C@@H]2CCN(C)C2)C[C@@H](C)[NH2+]1 69627813 343427749 /nfs/dbraw/zinc/42/77/49/343427749.db2.gz WTGPOMMMXLYHRQ-OUAUKWLOSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@H]1CN(CCN(C)C)C[C@@H](C)[NH2+]1 69629734 343427900 /nfs/dbraw/zinc/42/79/00/343427900.db2.gz LEYFCKZDGQAXIY-AOOOYVTPSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@H]1CN(CCN(C)C)C[C@H](C)[NH2+]1 69629736 343427925 /nfs/dbraw/zinc/42/79/25/343427925.db2.gz LEYFCKZDGQAXIY-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H]1CN(CCN(C)C)C[C@@H](C)[NH2+]1 69629738 343428103 /nfs/dbraw/zinc/42/81/03/343428103.db2.gz LEYFCKZDGQAXIY-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H]1CCN([C@@H]2CCN(C)C2)C[C@@H]1[NH3+] 69718448 343435661 /nfs/dbraw/zinc/43/56/61/343435661.db2.gz SWTFSAXZDBXIAM-MXWKQRLJSA-N 1 3 197.326 0.360 10 0 ACAEHO CC[N@@H+]1CC[C@H](C)[C@H](N)C1 69718468 343435723 /nfs/dbraw/zinc/43/57/23/343435723.db2.gz MUHBXUINLBIRNY-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@H](C)[C@H](N)C1 69718468 343435725 /nfs/dbraw/zinc/43/57/25/343435725.db2.gz MUHBXUINLBIRNY-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CC[N@H+](CC(C)(C)O)C[C@@H]1N 69719876 343436305 /nfs/dbraw/zinc/43/63/05/343436305.db2.gz BYPSXPGHRBTJQP-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[N@@H+](CC(C)(C)O)C[C@@H]1N 69719876 343436308 /nfs/dbraw/zinc/43/63/08/343436308.db2.gz BYPSXPGHRBTJQP-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@H+](CC(C)(C)O)C[C@@H]1N 69719874 343436491 /nfs/dbraw/zinc/43/64/91/343436491.db2.gz BYPSXPGHRBTJQP-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC(C)(C)O)C[C@@H]1N 69719874 343436494 /nfs/dbraw/zinc/43/64/94/343436494.db2.gz BYPSXPGHRBTJQP-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)C[C@@H]1N 69720349 343436969 /nfs/dbraw/zinc/43/69/69/343436969.db2.gz BQACZVXDTOYWIN-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2O)C[C@@H]1N 69720349 343436971 /nfs/dbraw/zinc/43/69/71/343436971.db2.gz BQACZVXDTOYWIN-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[N@H+]1C[C@@H](C)O 69728830 343437999 /nfs/dbraw/zinc/43/79/99/343437999.db2.gz YQRLNDQSWDAFSG-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1C[C@@H](C)O 69728830 343438002 /nfs/dbraw/zinc/43/80/02/343438002.db2.gz YQRLNDQSWDAFSG-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[C@H](C[NH3+])CN1C[C@@H](C)O 69728830 343438004 /nfs/dbraw/zinc/43/80/04/343438004.db2.gz YQRLNDQSWDAFSG-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@@H](CN)CC[C@H]1C 69728828 343438498 /nfs/dbraw/zinc/43/84/98/343438498.db2.gz YQRLNDQSWDAFSG-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@@H](CN)CC[C@H]1C 69728828 343438501 /nfs/dbraw/zinc/43/85/01/343438501.db2.gz YQRLNDQSWDAFSG-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)CN1C[C@@H](C[NH3+])CC[C@H]1C 69728828 343438502 /nfs/dbraw/zinc/43/85/02/343438502.db2.gz YQRLNDQSWDAFSG-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@H](CN)CC[C@H]1C 69728831 343438601 /nfs/dbraw/zinc/43/86/01/343438601.db2.gz YQRLNDQSWDAFSG-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@H](CN)CC[C@H]1C 69728831 343438603 /nfs/dbraw/zinc/43/86/03/343438603.db2.gz YQRLNDQSWDAFSG-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)CN1C[C@H](C[NH3+])CC[C@H]1C 69728831 343438604 /nfs/dbraw/zinc/43/86/04/343438604.db2.gz YQRLNDQSWDAFSG-BBBLOLIVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1C[C@@H](C)O 69728833 343438616 /nfs/dbraw/zinc/43/86/16/343438616.db2.gz YQRLNDQSWDAFSG-AEJSXWLSSA-N 1 3 186.299 0.426 10 0 ACAEHO CC[C@@H]1C[C@](N)(C[NH3+])CCO1 69892236 343451766 /nfs/dbraw/zinc/45/17/66/343451766.db2.gz IGFNZJZUPGWLON-SFYZADRCSA-N 1 3 158.245 0.232 10 0 ACAEHO CC1(C)CCCN(C[C@H](O)C[NH3+])C1 69793057 343441560 /nfs/dbraw/zinc/44/15/60/343441560.db2.gz FQQGYEKUTXSTPW-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC1(C)CCCN(C[C@@H](O)C[NH3+])C1 69793058 343441665 /nfs/dbraw/zinc/44/16/65/343441665.db2.gz FQQGYEKUTXSTPW-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CCN[C@H](C)[C@]1(O)CCC[NH2+]C1 69939393 343456417 /nfs/dbraw/zinc/45/64/17/343456417.db2.gz AUCZFTBNOMRRRH-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO CN1CCC(O)([C@@H]2CCCC[NH2+]2)CC1 69842612 343445578 /nfs/dbraw/zinc/44/55/78/343445578.db2.gz AJMXVINAKAWWKV-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@]1([C@H]2CCCC[NH2+]2)CCCNC1 69842988 343445582 /nfs/dbraw/zinc/44/55/82/343445582.db2.gz VMQXGMYKIMNSDI-NXEZZACHSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@]1([C@H]2CCCCN2)CCC[NH2+]C1 69842988 343445583 /nfs/dbraw/zinc/44/55/83/343445583.db2.gz VMQXGMYKIMNSDI-NXEZZACHSA-N 1 3 184.283 0.243 10 0 ACAEHO CCN1CCC(O)([C@H]2CCC[NH2+]2)CC1 69842634 343445625 /nfs/dbraw/zinc/44/56/25/343445625.db2.gz DTUUDAKSXVMHQN-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@]1([C@@H]2CCCC[NH2+]2)CCCNC1 69842987 343445629 /nfs/dbraw/zinc/44/56/29/343445629.db2.gz VMQXGMYKIMNSDI-VHSXEESVSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@]1([C@@H]2CCCCN2)CCC[NH2+]C1 69842987 343445631 /nfs/dbraw/zinc/44/56/31/343445631.db2.gz VMQXGMYKIMNSDI-VHSXEESVSA-N 1 3 184.283 0.243 10 0 ACAEHO CCN1CCC(O)([C@@H]2CCC[NH2+]2)CC1 69842631 343445643 /nfs/dbraw/zinc/44/56/43/343445643.db2.gz DTUUDAKSXVMHQN-JTQLQIEISA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CCC(O)([C@H]2CCCC[NH2+]2)CC1 69842615 343445677 /nfs/dbraw/zinc/44/56/77/343445677.db2.gz AJMXVINAKAWWKV-SNVBAGLBSA-N 1 3 198.310 0.585 10 0 ACAEHO Nc1ccncc1C1(O)CC[NH2+]CC1 69842819 343445810 /nfs/dbraw/zinc/44/58/10/343445810.db2.gz PCQTXVVKNAHFOT-UHFFFAOYSA-N 1 3 193.250 0.235 10 0 ACAEHO CN1CCC(O)([C@H]2CCC[NH2+]2)CC1 69842620 343445941 /nfs/dbraw/zinc/44/59/41/343445941.db2.gz VZTZOIOCUASVRZ-SECBINFHSA-N 1 3 184.283 0.195 10 0 ACAEHO O[C@@]1([C@@H]2CCCC[NH2+]2)CCCNC1 69842985 343445950 /nfs/dbraw/zinc/44/59/50/343445950.db2.gz VMQXGMYKIMNSDI-UWVGGRQHSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@@]1([C@@H]2CCCCN2)CCC[NH2+]C1 69842985 343445951 /nfs/dbraw/zinc/44/59/51/343445951.db2.gz VMQXGMYKIMNSDI-UWVGGRQHSA-N 1 3 184.283 0.243 10 0 ACAEHO CN1CCC(O)([C@@H]2CCC[NH2+]2)CC1 69842618 343446019 /nfs/dbraw/zinc/44/60/19/343446019.db2.gz VZTZOIOCUASVRZ-VIFPVBQESA-N 1 3 184.283 0.195 10 0 ACAEHO O[C@@]1([C@H]2CCCC[NH2+]2)CCCNC1 69842986 343446026 /nfs/dbraw/zinc/44/60/26/343446026.db2.gz VMQXGMYKIMNSDI-ZJUUUORDSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@@]1([C@H]2CCCCN2)CCC[NH2+]C1 69842986 343446029 /nfs/dbraw/zinc/44/60/29/343446029.db2.gz VMQXGMYKIMNSDI-ZJUUUORDSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@]1([C@@H]2CCCCCN2)CC[NH2+]C1 69843035 343446326 /nfs/dbraw/zinc/44/63/26/343446326.db2.gz XBGNPRBXRBCZPK-VHSXEESVSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@]1([C@H]2CCCCCN2)CC[NH2+]C1 69843033 343446443 /nfs/dbraw/zinc/44/64/43/343446443.db2.gz XBGNPRBXRBCZPK-NXEZZACHSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@@]1([C@H]2CCCCCN2)CC[NH2+]C1 69843029 343446566 /nfs/dbraw/zinc/44/65/66/343446566.db2.gz XBGNPRBXRBCZPK-ZJUUUORDSA-N 1 3 184.283 0.243 10 0 ACAEHO O[C@@]1([C@@H]2CCCCCN2)CC[NH2+]C1 69843030 343446582 /nfs/dbraw/zinc/44/65/82/343446582.db2.gz XBGNPRBXRBCZPK-UWVGGRQHSA-N 1 3 184.283 0.243 10 0 ACAEHO CC[C@]1(C)C[C@@](N)(C[NH3+])CCO1 69892253 343451332 /nfs/dbraw/zinc/45/13/32/343451332.db2.gz PZXIEPBWINEGMB-RKDXNWHRSA-N 1 3 172.272 0.622 10 0 ACAEHO C[C@@H]1C[C@](C[NH3+])(NC2CC2)CCO1 69892534 343451361 /nfs/dbraw/zinc/45/13/61/343451361.db2.gz IQGGVQFPNPSDKY-PSASIEDQSA-N 1 3 184.283 0.635 10 0 ACAEHO CCC[C@@H]1C[C@](N)(C[NH3+])CCO1 69892240 343451364 /nfs/dbraw/zinc/45/13/64/343451364.db2.gz PVOCDKOCGLRYCV-BDAKNGLRSA-N 1 3 172.272 0.622 10 0 ACAEHO CCC[C@H]1C[C@](N)(C[NH3+])CCO1 69892241 343451431 /nfs/dbraw/zinc/45/14/31/343451431.db2.gz PVOCDKOCGLRYCV-IUCAKERBSA-N 1 3 172.272 0.622 10 0 ACAEHO CC1(C)C[C@@](N)(C[NH3+])CCO1 69892260 343451437 /nfs/dbraw/zinc/45/14/37/343451437.db2.gz XTICXMKYKXRZTK-MRVPVSSYSA-N 1 3 158.245 0.232 10 0 ACAEHO CC1(C)C[C@](N)(C[NH3+])CCO1 69892259 343451449 /nfs/dbraw/zinc/45/14/49/343451449.db2.gz XTICXMKYKXRZTK-QMMMGPOBSA-N 1 3 158.245 0.232 10 0 ACAEHO CC[C@H]1C[C@](N)(C[NH3+])CCO1 69892237 343451464 /nfs/dbraw/zinc/45/14/64/343451464.db2.gz IGFNZJZUPGWLON-YUMQZZPRSA-N 1 3 158.245 0.232 10 0 ACAEHO C[C@H]1C[C@](C[NH3+])(NC2CC2)CCO1 69892536 343451580 /nfs/dbraw/zinc/45/15/80/343451580.db2.gz IQGGVQFPNPSDKY-WCBMZHEXSA-N 1 3 184.283 0.635 10 0 ACAEHO CC(C)[C@@H]1C[C@@](N)(C[NH3+])CCO1 69892257 343451633 /nfs/dbraw/zinc/45/16/33/343451633.db2.gz QVMLQNGNESEUFN-DTWKUNHWSA-N 1 3 172.272 0.478 10 0 ACAEHO CC[C@@]1(C)C[C@@](N)(C[NH3+])CCO1 69892254 343451655 /nfs/dbraw/zinc/45/16/55/343451655.db2.gz PZXIEPBWINEGMB-DTWKUNHWSA-N 1 3 172.272 0.622 10 0 ACAEHO CC(C)[C@@H]1C[C@](N)(C[NH3+])CCO1 69892255 343451680 /nfs/dbraw/zinc/45/16/80/343451680.db2.gz QVMLQNGNESEUFN-IUCAKERBSA-N 1 3 172.272 0.478 10 0 ACAEHO C[C@H]1C[C@@](C[NH3+])(NC2CC2)CCO1 69892532 343451776 /nfs/dbraw/zinc/45/17/76/343451776.db2.gz IQGGVQFPNPSDKY-WPRPVWTQSA-N 1 3 184.283 0.635 10 0 ACAEHO CC[C@H]1C[C@@](N)(C[NH3+])CCO1 69892239 343451814 /nfs/dbraw/zinc/45/18/14/343451814.db2.gz IGFNZJZUPGWLON-JGVFFNPUSA-N 1 3 158.245 0.232 10 0 ACAEHO CCC[C@@H]1C[C@@](N)(C[NH3+])CCO1 69892243 343451852 /nfs/dbraw/zinc/45/18/52/343451852.db2.gz PVOCDKOCGLRYCV-RKDXNWHRSA-N 1 3 172.272 0.622 10 0 ACAEHO CC[C@@]1(C)C[C@](N)(C[NH3+])CCO1 69892251 343451893 /nfs/dbraw/zinc/45/18/93/343451893.db2.gz PZXIEPBWINEGMB-IUCAKERBSA-N 1 3 172.272 0.622 10 0 ACAEHO CCC[C@H]1C[C@@](N)(C[NH3+])CCO1 69892244 343451910 /nfs/dbraw/zinc/45/19/10/343451910.db2.gz PVOCDKOCGLRYCV-DTWKUNHWSA-N 1 3 172.272 0.622 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@H]([NH3+])C2)CCO1 69894179 343452330 /nfs/dbraw/zinc/45/23/30/343452330.db2.gz SDONUSQRBCJZST-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)C[C@H](N2CC[C@H]([NH3+])C2)CCO1 69894187 343452753 /nfs/dbraw/zinc/45/27/53/343452753.db2.gz YZGWURYLHYSMPP-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](CN)C2)CCO1 69894218 343452823 /nfs/dbraw/zinc/45/28/23/343452823.db2.gz HDUURTHKFCWCBB-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](CN)C2)CCO1 69894218 343452827 /nfs/dbraw/zinc/45/28/27/343452827.db2.gz HDUURTHKFCWCBB-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](CN)C2)CCO1 69894212 343453066 /nfs/dbraw/zinc/45/30/66/343453066.db2.gz HDUURTHKFCWCBB-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](CN)C2)CCO1 69894212 343453069 /nfs/dbraw/zinc/45/30/69/343453069.db2.gz HDUURTHKFCWCBB-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CCN[C@@H](C)[C@@]1(O)CCC[NH2+]C1 69939394 343456227 /nfs/dbraw/zinc/45/62/27/343456227.db2.gz AUCZFTBNOMRRRH-DTWKUNHWSA-N 1 3 172.272 0.099 10 0 ACAEHO CC[NH2+][C@H](C)C1(O)CCN(C)CC1 69939235 343456260 /nfs/dbraw/zinc/45/62/60/343456260.db2.gz SUOVWJRRYFMDNR-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@]2(O)CC[NH2+]C2)C1 69939410 343456285 /nfs/dbraw/zinc/45/62/85/343456285.db2.gz ODLCJIUUZIQMHB-BBBLOLIVSA-N 1 3 184.283 0.099 10 0 ACAEHO CCN[C@@H](C)[C@]1(O)CCC[NH2+]C1 69939392 343456301 /nfs/dbraw/zinc/45/63/01/343456301.db2.gz AUCZFTBNOMRRRH-IUCAKERBSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@]2(O)CC[NH2+]C2)C1 69939408 343456318 /nfs/dbraw/zinc/45/63/18/343456318.db2.gz ODLCJIUUZIQMHB-UTLUCORTSA-N 1 3 184.283 0.099 10 0 ACAEHO CC[NH2+][C@@H](C)C1(O)CCN(C)CC1 69939234 343456359 /nfs/dbraw/zinc/45/63/59/343456359.db2.gz SUOVWJRRYFMDNR-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO CCN[C@H](C)[C@@]1(O)CCC[NH2+]C1 69939395 343456364 /nfs/dbraw/zinc/45/63/64/343456364.db2.gz AUCZFTBNOMRRRH-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCCOC1 70015277 343466433 /nfs/dbraw/zinc/46/64/33/343466433.db2.gz CHXRATMVYFHICJ-MRVPVSSYSA-N 1 3 158.245 0.104 10 0 ACAEHO [NH3+]C[C@@H]1CCCN([C@@H]2CCCOC2)C1 70016475 343466455 /nfs/dbraw/zinc/46/64/55/343466455.db2.gz YINLENYYWGVURQ-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO CCN[C@]1(C[NH3+])CCCOC1 70015272 343466549 /nfs/dbraw/zinc/46/65/49/343466549.db2.gz CHXRATMVYFHICJ-QMMMGPOBSA-N 1 3 158.245 0.104 10 0 ACAEHO CC[N@H+](C)[C@@H]1CCNC[C@@H]1C 70045555 343468949 /nfs/dbraw/zinc/46/89/49/343468949.db2.gz SLSHCBZTCHUXAS-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CCNC[C@@H]1C 70045555 343468951 /nfs/dbraw/zinc/46/89/51/343468951.db2.gz SLSHCBZTCHUXAS-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@@H]1CC[NH2+]C[C@@H]1C 70045555 343468954 /nfs/dbraw/zinc/46/89/54/343468954.db2.gz SLSHCBZTCHUXAS-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1CNCC[C@H]1[N@@H+]1CCCOCC1 70046143 343468970 /nfs/dbraw/zinc/46/89/70/343468970.db2.gz UXOCYBRWJPLYII-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CNCC[C@H]1[N@H+]1CCCOCC1 70046143 343468972 /nfs/dbraw/zinc/46/89/72/343468972.db2.gz UXOCYBRWJPLYII-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CCCOCC1 70046139 343468998 /nfs/dbraw/zinc/46/89/98/343468998.db2.gz UXOCYBRWJPLYII-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CCCOCC1 70046139 343469000 /nfs/dbraw/zinc/46/90/00/343469000.db2.gz UXOCYBRWJPLYII-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO CC[N@H+](C)[C@H]1CCNC[C@@H]1C 70045556 343469339 /nfs/dbraw/zinc/46/93/39/343469339.db2.gz SLSHCBZTCHUXAS-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+](C)[C@H]1CCNC[C@@H]1C 70045556 343469341 /nfs/dbraw/zinc/46/93/41/343469341.db2.gz SLSHCBZTCHUXAS-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@H]1CC[NH2+]C[C@@H]1C 70045556 343469345 /nfs/dbraw/zinc/46/93/45/343469345.db2.gz SLSHCBZTCHUXAS-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CN1CCC[C@H](N2CCC[C@H]([NH3+])C2)C1 70585707 343497080 /nfs/dbraw/zinc/49/70/80/343497080.db2.gz PYCUFIFWWSQATA-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@H](N)C1 70585415 343497111 /nfs/dbraw/zinc/49/71/11/343497111.db2.gz QACMLFAYINRDJJ-HRDYMLBCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@H]1[N@H+]1CCC[C@H](N)C1 70585415 343497113 /nfs/dbraw/zinc/49/71/13/343497113.db2.gz QACMLFAYINRDJJ-HRDYMLBCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@H](N)C1 70585413 343497213 /nfs/dbraw/zinc/49/72/13/343497213.db2.gz QACMLFAYINRDJJ-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@H](N)C1 70585413 343497215 /nfs/dbraw/zinc/49/72/15/343497215.db2.gz QACMLFAYINRDJJ-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CCC[C@@H](N2CCC[C@H]([NH3+])C2)C1 70585708 343497248 /nfs/dbraw/zinc/49/72/48/343497248.db2.gz PYCUFIFWWSQATA-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@@H]1CC[C@@](N)(C[NH3+])C1 70644422 343515400 /nfs/dbraw/zinc/51/54/00/343515400.db2.gz QWBOLBXPANEODI-SFYZADRCSA-N 1 3 142.246 0.853 10 0 ACAEHO CC[C@H]1CC[C@](N)(C[NH3+])C1 70644421 343515332 /nfs/dbraw/zinc/51/53/32/343515332.db2.gz QWBOLBXPANEODI-JGVFFNPUSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@H]1CC[C@](N)(C[NH3+])C1 70644425 343515380 /nfs/dbraw/zinc/51/53/80/343515380.db2.gz QQWWXMWPUZVFTJ-NKWVEPMBSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@H]1CC[C@](N)(C[NH3+])C1 70644424 343515428 /nfs/dbraw/zinc/51/54/28/343515428.db2.gz QQWWXMWPUZVFTJ-RNFRBKRXSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@H]1CC[C@@](N)(C[NH3+])C1 70644426 343515523 /nfs/dbraw/zinc/51/55/23/343515523.db2.gz QQWWXMWPUZVFTJ-RQJHMYQMSA-N 1 3 128.219 0.463 10 0 ACAEHO CC(C)N1CCO[C@@H](CC[NH3+])C1 70649876 343518285 /nfs/dbraw/zinc/51/82/85/343518285.db2.gz VLGSMIBVGNRUOM-VIFPVBQESA-N 1 3 172.272 0.444 10 0 ACAEHO NC(=[NH2+])[C@@H]1CCCN([C@@H]2CCOC2)C1 70663747 343523058 /nfs/dbraw/zinc/52/30/58/343523058.db2.gz OGSJEYIEPCPEIR-RKDXNWHRSA-N 1 3 197.282 0.423 10 0 ACAEHO NC(=[NH2+])[C@H]1CCCN([C@@H]2CCOC2)C1 70663746 343523099 /nfs/dbraw/zinc/52/30/99/343523099.db2.gz OGSJEYIEPCPEIR-DTWKUNHWSA-N 1 3 197.282 0.423 10 0 ACAEHO CNC(=[NH2+])N(C)C[C@H]1CCN(C)C1 70823218 343533889 /nfs/dbraw/zinc/53/38/89/343533889.db2.gz HMJJILVSBOJOFJ-QMMMGPOBSA-N 1 3 184.287 0.024 10 0 ACAEHO CNC(=[NH2+])N(C)C[C@@H]1CCN(C)C1 70823212 343534027 /nfs/dbraw/zinc/53/40/27/343534027.db2.gz HMJJILVSBOJOFJ-MRVPVSSYSA-N 1 3 184.287 0.024 10 0 ACAEHO CN(c1ccncc1)[C@@H]1CC[NH2+]C1 70897357 343540218 /nfs/dbraw/zinc/54/02/18/343540218.db2.gz WGPLCDHUSDPZMM-SNVBAGLBSA-N 1 3 177.251 0.880 10 0 ACAEHO CCN([C@@H]1CC[NH2+]C1)[C@@H]1CCN(C)C1 70898428 343540372 /nfs/dbraw/zinc/54/03/72/343540372.db2.gz WNGXCGIXTWZAOY-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN([C@H]1CC[NH2+]C1)[C@@H]1CCN(C)C1 70898435 343540397 /nfs/dbraw/zinc/54/03/97/343540397.db2.gz WNGXCGIXTWZAOY-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CN(c1ccncc1)[C@H]1CC[NH2+]C1 70897362 343540646 /nfs/dbraw/zinc/54/06/46/343540646.db2.gz WGPLCDHUSDPZMM-JTQLQIEISA-N 1 3 177.251 0.880 10 0 ACAEHO CC1(C)CCCN1[C@@]1(C[NH3+])CCOC1 70971061 343546249 /nfs/dbraw/zinc/54/62/49/343546249.db2.gz BUDPESDBKOJUBO-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO CC1(C)CCCN1[C@]1(C[NH3+])CCOC1 70971057 343546430 /nfs/dbraw/zinc/54/64/30/343546430.db2.gz BUDPESDBKOJUBO-NSHDSACASA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@H]1CCCN1[C@]1(C[NH3+])CCOC1 70970358 343546465 /nfs/dbraw/zinc/54/64/65/343546465.db2.gz NSWHDUZKEGOPAG-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H]1CCCN1[C@]1(C[NH3+])CCOC1 70970362 343546491 /nfs/dbraw/zinc/54/64/91/343546491.db2.gz NSWHDUZKEGOPAG-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCOC2)CC[C@@H]1[NH3+] 71014037 343548332 /nfs/dbraw/zinc/54/83/32/343548332.db2.gz MJFUMNHAWIKANY-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C1COC[C@@H](NC2CC[NH2+]CC2)C1 71012558 343548339 /nfs/dbraw/zinc/54/83/39/343548339.db2.gz GHYDPHRIWGTODQ-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO C1COC[C@@H]([NH2+]C2CCNCC2)C1 71012558 343548340 /nfs/dbraw/zinc/54/83/40/343548340.db2.gz GHYDPHRIWGTODQ-JTQLQIEISA-N 1 3 184.283 0.507 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CCCOC1 71014066 343548539 /nfs/dbraw/zinc/54/85/39/343548539.db2.gz JNAPFQHMEOITCD-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CCCOC1 71014063 343548579 /nfs/dbraw/zinc/54/85/79/343548579.db2.gz JNAPFQHMEOITCD-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[NH2+]C[C@H]1CCN([C@@H]2CCCOC2)C1 71014098 343548770 /nfs/dbraw/zinc/54/87/70/343548770.db2.gz XERQALXUZGITLS-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)CCN1 71024077 343548820 /nfs/dbraw/zinc/54/88/20/343548820.db2.gz JSXSBHRVFZBGFX-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)CCN1 71024077 343548822 /nfs/dbraw/zinc/54/88/22/343548822.db2.gz JSXSBHRVFZBGFX-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CNCC[N@@H+]([C@@H]2CCCOC2)C1 71024075 343548862 /nfs/dbraw/zinc/54/88/62/343548862.db2.gz MDALINJLEFIIIG-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CNCC[N@H+]([C@@H]2CCCOC2)C1 71024075 343548865 /nfs/dbraw/zinc/54/88/65/343548865.db2.gz MDALINJLEFIIIG-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]([C@@H]2CCCOC2)C1 71024073 343548927 /nfs/dbraw/zinc/54/89/27/343548927.db2.gz MDALINJLEFIIIG-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CNCC[N@H+]([C@@H]2CCCOC2)C1 71024073 343548929 /nfs/dbraw/zinc/54/89/29/343548929.db2.gz MDALINJLEFIIIG-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)CCN1 71024078 343549016 /nfs/dbraw/zinc/54/90/16/343549016.db2.gz JSXSBHRVFZBGFX-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CC[N@H+]([C@@H]2CCCOC2)CCN1 71024078 343549017 /nfs/dbraw/zinc/54/90/17/343549017.db2.gz JSXSBHRVFZBGFX-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@@H]2CCCOC2)C1 71014086 343549026 /nfs/dbraw/zinc/54/90/26/343549026.db2.gz DEWWHAIGVZXQAS-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@H]2CCCOC2)C1 71014084 343549033 /nfs/dbraw/zinc/54/90/33/343549033.db2.gz DEWWHAIGVZXQAS-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO C[NH2+]C[C@@H]1CCN([C@@H]2CCCOC2)C1 71014094 343549068 /nfs/dbraw/zinc/54/90/68/343549068.db2.gz XERQALXUZGITLS-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO CN1CCN([C@@H]2CCC[C@H]([NH3+])C2)CC1 71507579 343555653 /nfs/dbraw/zinc/55/56/53/343555653.db2.gz ZQPOWVCQVKUXRP-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCN([C@@H]2CCC[C@@H]([NH3+])C2)CC1 71507581 343555679 /nfs/dbraw/zinc/55/56/79/343555679.db2.gz ZQPOWVCQVKUXRP-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCN([C@H]2CCC[C@@H]([NH3+])C2)CC1 71507582 343555838 /nfs/dbraw/zinc/55/58/38/343555838.db2.gz ZQPOWVCQVKUXRP-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCN([C@H]2CCC[C@H]([NH3+])C2)CC1 71507580 343555868 /nfs/dbraw/zinc/55/58/68/343555868.db2.gz ZQPOWVCQVKUXRP-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO OCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 82383810 343599684 /nfs/dbraw/zinc/59/96/84/343599684.db2.gz BDCOVFDLDRPURI-GHMZBOCLSA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 82383808 343599762 /nfs/dbraw/zinc/59/97/62/343599762.db2.gz BDCOVFDLDRPURI-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO OCCCCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 82383807 343599775 /nfs/dbraw/zinc/59/97/75/343599775.db2.gz BDCOVFDLDRPURI-PHIMTYICSA-N 1 3 198.310 0.300 10 0 ACAEHO CN(C)CCN(C)CC(C)(C)[NH3+] 82542683 343606304 /nfs/dbraw/zinc/60/63/04/343606304.db2.gz RCZNSGBSKPNEBF-UHFFFAOYSA-N 1 3 173.304 0.217 10 0 ACAEHO C[C@H]1C[C@@H](C)CN1CC[NH3+] 82839218 343613284 /nfs/dbraw/zinc/61/32/84/343613284.db2.gz LOKVPVIVVXVDKQ-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1C[C@H](C)N(CC[NH3+])C1 82839221 343613578 /nfs/dbraw/zinc/61/35/78/343613578.db2.gz LOKVPVIVVXVDKQ-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1C[C@@H](C)N(CC[NH3+])C1 82839225 343613609 /nfs/dbraw/zinc/61/36/09/343613609.db2.gz LOKVPVIVVXVDKQ-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@@H]1CNCC[C@H]1[NH3+] 83598492 343621790 /nfs/dbraw/zinc/62/17/90/343621790.db2.gz DJYSFNRQHHNIRQ-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@@H]1C[NH2+]CC[C@H]1N 83598492 343621794 /nfs/dbraw/zinc/62/17/94/343621794.db2.gz DJYSFNRQHHNIRQ-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@@H]1CNCC[C@@H]1[NH3+] 83598488 343621841 /nfs/dbraw/zinc/62/18/41/343621841.db2.gz DJYSFNRQHHNIRQ-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@@H]1C[NH2+]CC[C@@H]1N 83598488 343621842 /nfs/dbraw/zinc/62/18/42/343621842.db2.gz DJYSFNRQHHNIRQ-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@H]1CNCC[C@@H]1[NH3+] 83598491 343621943 /nfs/dbraw/zinc/62/19/43/343621943.db2.gz DJYSFNRQHHNIRQ-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@H]1C[NH2+]CC[C@@H]1N 83598491 343621945 /nfs/dbraw/zinc/62/19/45/343621945.db2.gz DJYSFNRQHHNIRQ-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@H]1CNCC[C@H]1[NH3+] 83598493 343622104 /nfs/dbraw/zinc/62/21/04/343622104.db2.gz DJYSFNRQHHNIRQ-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@H]1C[NH2+]CC[C@H]1N 83598493 343622106 /nfs/dbraw/zinc/62/21/06/343622106.db2.gz DJYSFNRQHHNIRQ-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO C[NH+](C)[C@H]1CC[C@@H]2NCCO[C@@H]2C1 83847894 343625745 /nfs/dbraw/zinc/62/57/45/343625745.db2.gz RGHFJEXYVWRXCY-LPEHRKFASA-N 1 3 184.283 0.458 10 0 ACAEHO C[NH+](C)[C@H]1CC[C@H]2NCCO[C@@H]2C1 83847890 343625780 /nfs/dbraw/zinc/62/57/80/343625780.db2.gz RGHFJEXYVWRXCY-IVZWLZJFSA-N 1 3 184.283 0.458 10 0 ACAEHO C[C@H]1COCCN1CC[C@@H]1CC[NH2+]C1 84384781 343636028 /nfs/dbraw/zinc/63/60/28/343636028.db2.gz GXHAWGDLQRGMNB-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C1CC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 85283323 343642294 /nfs/dbraw/zinc/64/22/94/343642294.db2.gz HNBRJSUVZCJINQ-GHMZBOCLSA-N 1 3 180.295 0.938 10 0 ACAEHO C1CC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 85283325 343642315 /nfs/dbraw/zinc/64/23/15/343642315.db2.gz HNBRJSUVZCJINQ-QWRGUYRKSA-N 1 3 180.295 0.938 10 0 ACAEHO C1CC(C[NH2+][C@@H]2CCNC2)C1 86726174 343653835 /nfs/dbraw/zinc/65/38/35/343653835.db2.gz QZVPYICPEZLMIL-SECBINFHSA-N 1 3 154.257 0.738 10 0 ACAEHO C1CC(C[NH2+][C@H]2CCNC2)C1 86726177 343653839 /nfs/dbraw/zinc/65/38/39/343653839.db2.gz QZVPYICPEZLMIL-VIFPVBQESA-N 1 3 154.257 0.738 10 0 ACAEHO C1CNC[C@@H](C[NH2+]C2CCOCC2)C1 87646483 343662804 /nfs/dbraw/zinc/66/28/04/343662804.db2.gz QBQJBHVZJOKSKQ-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO CN(C[C@H]1CCCOC1)C1CC([NH3+])C1 87653562 343662729 /nfs/dbraw/zinc/66/27/29/343662729.db2.gz LFXYWQOYDYZXGS-KPPDAEKUSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C[C@H]1CCCOC1)C1CC(N)C1 87653562 343662731 /nfs/dbraw/zinc/66/27/31/343662731.db2.gz LFXYWQOYDYZXGS-KPPDAEKUSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](C[C@H]1CCCOC1)C1CC(N)C1 87653562 343662733 /nfs/dbraw/zinc/66/27/33/343662733.db2.gz LFXYWQOYDYZXGS-KPPDAEKUSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C[C@@H]1CCCOC1)C1CC([NH3+])C1 87653561 343662757 /nfs/dbraw/zinc/66/27/57/343662757.db2.gz LFXYWQOYDYZXGS-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C[C@@H]1CCCOC1)C1CC(N)C1 87653561 343662758 /nfs/dbraw/zinc/66/27/58/343662758.db2.gz LFXYWQOYDYZXGS-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](C[C@@H]1CCCOC1)C1CC(N)C1 87653561 343662759 /nfs/dbraw/zinc/66/27/59/343662759.db2.gz LFXYWQOYDYZXGS-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO C1CNC[C@H](C[NH2+]C2CCOCC2)C1 87646484 343662908 /nfs/dbraw/zinc/66/29/08/343662908.db2.gz QBQJBHVZJOKSKQ-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO CC(C)N1C[C@H]2C[NH2+]C[C@@H]2C1 88287352 343669807 /nfs/dbraw/zinc/66/98/07/343669807.db2.gz HRTNRUHUVWQIOH-RKDXNWHRSA-N 1 3 154.257 0.546 10 0 ACAEHO CC(C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 88287975 343669767 /nfs/dbraw/zinc/66/97/67/343669767.db2.gz GHHNEIKPPDKZBD-UWVGGRQHSA-N 1 3 168.284 0.794 10 0 ACAEHO COCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 88288080 343669895 /nfs/dbraw/zinc/66/98/95/343669895.db2.gz GITYBLMADXICJH-UWVGGRQHSA-N 1 3 184.283 0.174 10 0 ACAEHO COCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 88288079 343669960 /nfs/dbraw/zinc/66/99/60/343669960.db2.gz GITYBLMADXICJH-NXEZZACHSA-N 1 3 184.283 0.174 10 0 ACAEHO CC(C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 88287973 343669995 /nfs/dbraw/zinc/66/99/95/343669995.db2.gz GHHNEIKPPDKZBD-NXEZZACHSA-N 1 3 168.284 0.794 10 0 ACAEHO CC(C)N1C[C@@H]2C[NH2+]C[C@H]2C1 88287354 343670107 /nfs/dbraw/zinc/67/01/07/343670107.db2.gz HRTNRUHUVWQIOH-IUCAKERBSA-N 1 3 154.257 0.546 10 0 ACAEHO CCCN1CCC2(C[NH2+]C2)C1 95937443 343691674 /nfs/dbraw/zinc/69/16/74/343691674.db2.gz SNMFICALXQLGDB-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO CCC[N@@H+]1CCC2(CNC2)C1 95937443 343691676 /nfs/dbraw/zinc/69/16/76/343691676.db2.gz SNMFICALXQLGDB-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO CCC[N@H+]1CCC2(CNC2)C1 95937443 343691678 /nfs/dbraw/zinc/69/16/78/343691678.db2.gz SNMFICALXQLGDB-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO C[N@@H+]1CCCCC[C@@H](N)C1 98193167 343707032 /nfs/dbraw/zinc/70/70/32/343707032.db2.gz GCWDIPJSRXHHFM-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO C[N@H+]1CCCCC[C@@H](N)C1 98193167 343707035 /nfs/dbraw/zinc/70/70/35/343707035.db2.gz GCWDIPJSRXHHFM-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO C[NH+](C)[C@H]1[C@H]2CC[C@@H]1CNC2 100294980 343714816 /nfs/dbraw/zinc/71/48/16/343714816.db2.gz YWBICKVWQPKKHN-AYMMMOKOSA-N 1 3 154.257 0.546 10 0 ACAEHO CN(C)[C@H]1[C@H]2CC[C@@H]1C[NH2+]C2 100294980 343714817 /nfs/dbraw/zinc/71/48/17/343714817.db2.gz YWBICKVWQPKKHN-AYMMMOKOSA-N 1 3 154.257 0.546 10 0 ACAEHO CO[C@]1(CN)CCC[N@H+](C)C1 107159225 343744831 /nfs/dbraw/zinc/74/48/31/343744831.db2.gz NNHIZXBMQLRLHZ-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CO[C@]1(CN)CCC[N@@H+](C)C1 107159225 343744832 /nfs/dbraw/zinc/74/48/32/343744832.db2.gz NNHIZXBMQLRLHZ-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO C[C@@H]1CC[C@H]([NH3+])[C@H]1CN 101533347 343724111 /nfs/dbraw/zinc/72/41/11/343724111.db2.gz DCIDJZAMMCGYCL-VQVTYTSYSA-N 1 3 128.219 0.319 10 0 ACAEHO NCCC[N@H+]1C[C@H]2C[C@H]2C1 107115610 343739994 /nfs/dbraw/zinc/73/99/94/343739994.db2.gz VGPKXNAEZWRERE-OCAPTIKFSA-N 1 3 140.230 0.287 10 0 ACAEHO NCCC[N@@H+]1C[C@H]2C[C@H]2C1 107115610 343739996 /nfs/dbraw/zinc/73/99/96/343739996.db2.gz VGPKXNAEZWRERE-OCAPTIKFSA-N 1 3 140.230 0.287 10 0 ACAEHO CC(C)(C[NH3+])N1C[C@H]2C[C@H]2C1 107117802 343740529 /nfs/dbraw/zinc/74/05/29/343740529.db2.gz FODUMKXPQPMYIO-OCAPTIKFSA-N 1 3 154.257 0.675 10 0 ACAEHO C1C[C@@H](CN2C[C@H]3C[C@H]3C2)C[NH2+]1 107120956 343741326 /nfs/dbraw/zinc/74/13/26/343741326.db2.gz SXYFVFKWYYLRLM-BBBLOLIVSA-N 1 3 166.268 0.548 10 0 ACAEHO C1CC([N@H+]2C[C@H]3C[C@H]3C2)CCN1 107120988 343741337 /nfs/dbraw/zinc/74/13/37/343741337.db2.gz MWQHABQBYYMFDQ-DTORHVGOSA-N 1 3 166.268 0.690 10 0 ACAEHO C1CC([N@@H+]2C[C@H]3C[C@H]3C2)CCN1 107120988 343741340 /nfs/dbraw/zinc/74/13/40/343741340.db2.gz MWQHABQBYYMFDQ-DTORHVGOSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H](CN2C[C@H]3C[C@H]3C2)C[NH2+]1 107120960 343741387 /nfs/dbraw/zinc/74/13/87/343741387.db2.gz SXYFVFKWYYLRLM-LPEHRKFASA-N 1 3 166.268 0.548 10 0 ACAEHO N[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107120978 343741427 /nfs/dbraw/zinc/74/14/27/343741427.db2.gz OPZCMLFTYINEQR-RGOKHQFPSA-N 1 3 166.268 0.818 10 0 ACAEHO N[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107120978 343741429 /nfs/dbraw/zinc/74/14/29/343741429.db2.gz OPZCMLFTYINEQR-RGOKHQFPSA-N 1 3 166.268 0.818 10 0 ACAEHO C1C[NH2+]C[C@@H](N2C[C@H]3C[C@H]3C2)C1 107120998 343741446 /nfs/dbraw/zinc/74/14/46/343741446.db2.gz GLDRNPCWRLHFGJ-AEJSXWLSSA-N 1 3 166.268 0.690 10 0 ACAEHO N[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107120981 343741551 /nfs/dbraw/zinc/74/15/51/343741551.db2.gz OPZCMLFTYINEQR-UTINFBMNSA-N 1 3 166.268 0.818 10 0 ACAEHO N[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107120981 343741552 /nfs/dbraw/zinc/74/15/52/343741552.db2.gz OPZCMLFTYINEQR-UTINFBMNSA-N 1 3 166.268 0.818 10 0 ACAEHO C1C[NH2+]C[C@H](N2C[C@H]3C[C@H]3C2)C1 107121001 343741570 /nfs/dbraw/zinc/74/15/70/343741570.db2.gz GLDRNPCWRLHFGJ-KXUCPTDWSA-N 1 3 166.268 0.690 10 0 ACAEHO C1CNC[C@@H](C[N@H+]2C[C@H]3C[C@H]3C2)C1 107127778 343742744 /nfs/dbraw/zinc/74/27/44/343742744.db2.gz IKMSQRXAIFYMOY-GARJFASQSA-N 1 3 180.295 0.938 10 0 ACAEHO C1CNC[C@@H](C[N@@H+]2C[C@H]3C[C@H]3C2)C1 107127778 343742747 /nfs/dbraw/zinc/74/27/47/343742747.db2.gz IKMSQRXAIFYMOY-GARJFASQSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[NH2+]C[C@@H](CN2C[C@H]3C[C@H]3C2)C1 107127778 343742750 /nfs/dbraw/zinc/74/27/50/343742750.db2.gz IKMSQRXAIFYMOY-GARJFASQSA-N 1 3 180.295 0.938 10 0 ACAEHO C1CNC[C@H](C[N@H+]2C[C@H]3C[C@H]3C2)C1 107127780 343742949 /nfs/dbraw/zinc/74/29/49/343742949.db2.gz IKMSQRXAIFYMOY-MXWKQRLJSA-N 1 3 180.295 0.938 10 0 ACAEHO C1CNC[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)C1 107127780 343742952 /nfs/dbraw/zinc/74/29/52/343742952.db2.gz IKMSQRXAIFYMOY-MXWKQRLJSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[NH2+]C[C@H](CN2C[C@H]3C[C@H]3C2)C1 107127780 343742954 /nfs/dbraw/zinc/74/29/54/343742954.db2.gz IKMSQRXAIFYMOY-MXWKQRLJSA-N 1 3 180.295 0.938 10 0 ACAEHO CO[C@]1(C[NH3+])CCCN(C)C1 107159225 343744829 /nfs/dbraw/zinc/74/48/29/343744829.db2.gz NNHIZXBMQLRLHZ-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CO[C@@]1(C[NH3+])CCCN(C)C1 107159228 343745146 /nfs/dbraw/zinc/74/51/46/343745146.db2.gz NNHIZXBMQLRLHZ-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CO[C@@]1(CN)CCC[N@H+](C)C1 107159228 343745148 /nfs/dbraw/zinc/74/51/48/343745148.db2.gz NNHIZXBMQLRLHZ-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CO[C@@]1(CN)CCC[N@@H+](C)C1 107159228 343745149 /nfs/dbraw/zinc/74/51/49/343745149.db2.gz NNHIZXBMQLRLHZ-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CN(C)C1CN([C@@H]2CC[C@H]([NH3+])C2)C1 107171665 343746245 /nfs/dbraw/zinc/74/62/45/343746245.db2.gz VNLDXYXVLYFBAM-DTWKUNHWSA-N 1 3 183.299 0.112 10 0 ACAEHO CN(C)C1CN([C@@H]2CC[C@@H]([NH3+])C2)C1 107171672 343746343 /nfs/dbraw/zinc/74/63/43/343746343.db2.gz VNLDXYXVLYFBAM-RKDXNWHRSA-N 1 3 183.299 0.112 10 0 ACAEHO CN(C)C1CN([C@H]2CC[C@@H]([NH3+])C2)C1 107171674 343746361 /nfs/dbraw/zinc/74/63/61/343746361.db2.gz VNLDXYXVLYFBAM-BDAKNGLRSA-N 1 3 183.299 0.112 10 0 ACAEHO CN(C)C1CN([C@H]2CC[C@H]([NH3+])C2)C1 107171669 343746371 /nfs/dbraw/zinc/74/63/71/343746371.db2.gz VNLDXYXVLYFBAM-IUCAKERBSA-N 1 3 183.299 0.112 10 0 ACAEHO CNC[C@@H]1CC[N@@H+]2CCC[C@H]12 107398801 343749569 /nfs/dbraw/zinc/74/95/69/343749569.db2.gz KFIIDZHVIBDYCT-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@@H]1CC[N@H+]2CCC[C@H]12 107398801 343749570 /nfs/dbraw/zinc/74/95/70/343749570.db2.gz KFIIDZHVIBDYCT-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@H]1CC[N@@H+]2CCC[C@H]12 107398804 343749868 /nfs/dbraw/zinc/74/98/68/343749868.db2.gz KFIIDZHVIBDYCT-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@H]1CC[N@H+]2CCC[C@H]12 107398804 343749869 /nfs/dbraw/zinc/74/98/69/343749869.db2.gz KFIIDZHVIBDYCT-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CC1CC(NC[C@H]2CC[NH2+]C2)C1 123533014 343783800 /nfs/dbraw/zinc/78/38/00/343783800.db2.gz VSNNXRQIXXAKCF-KYHHOPLUSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]1CN(CCC[NH3+])CC[C@@H]1O 126793600 343797040 /nfs/dbraw/zinc/79/70/40/343797040.db2.gz HDDRCXCXWJBWNO-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1CN(CCC[NH3+])CC[C@@H]1O 126793823 343797205 /nfs/dbraw/zinc/79/72/05/343797205.db2.gz HDDRCXCXWJBWNO-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1C[C@@](CN)([NH+]2CCCC2)CN1C 126832938 343797764 /nfs/dbraw/zinc/79/77/64/343797764.db2.gz JJKNUELQKBHGBB-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@@](CN)(N2CCCC2)C[N@@H+]1C 126832938 343797766 /nfs/dbraw/zinc/79/77/66/343797766.db2.gz JJKNUELQKBHGBB-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@@](CN)(N2CCCC2)C[N@H+]1C 126832938 343797769 /nfs/dbraw/zinc/79/77/69/343797769.db2.gz JJKNUELQKBHGBB-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@](CN)([NH+]2CCCC2)CN1C 126833374 343797863 /nfs/dbraw/zinc/79/78/63/343797863.db2.gz JJKNUELQKBHGBB-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@](CN)(N2CCCC2)C[N@@H+]1C 126833374 343797866 /nfs/dbraw/zinc/79/78/66/343797866.db2.gz JJKNUELQKBHGBB-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@](CN)(N2CCCC2)C[N@H+]1C 126833374 343797868 /nfs/dbraw/zinc/79/78/68/343797868.db2.gz JJKNUELQKBHGBB-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@](CN)([NH+]2CCCC2)CN1C 126833592 343797919 /nfs/dbraw/zinc/79/79/19/343797919.db2.gz JJKNUELQKBHGBB-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@](CN)(N2CCCC2)C[N@@H+]1C 126833592 343797922 /nfs/dbraw/zinc/79/79/22/343797922.db2.gz JJKNUELQKBHGBB-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@](CN)(N2CCCC2)C[N@H+]1C 126833592 343797924 /nfs/dbraw/zinc/79/79/24/343797924.db2.gz JJKNUELQKBHGBB-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@@](CN)([NH+]2CCCC2)CN1C 126833176 343798026 /nfs/dbraw/zinc/79/80/26/343798026.db2.gz JJKNUELQKBHGBB-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@@](CN)(N2CCCC2)C[N@@H+]1C 126833176 343798027 /nfs/dbraw/zinc/79/80/27/343798027.db2.gz JJKNUELQKBHGBB-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@@](CN)(N2CCCC2)C[N@H+]1C 126833176 343798029 /nfs/dbraw/zinc/79/80/29/343798029.db2.gz JJKNUELQKBHGBB-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@]1(CN)C[C@H](C)[N@@H+](C)C1 126865843 343798613 /nfs/dbraw/zinc/79/86/13/343798613.db2.gz RSRVIBMXVFICRK-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)N(C)[C@]1(CN)C[C@H](C)[N@H+](C)C1 126843416 343798479 /nfs/dbraw/zinc/79/84/79/343798479.db2.gz HESHOINKELHKOS-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N(C)[C@]1(CN)C[C@H](C)[N@@H+](C)C1 126843416 343798482 /nfs/dbraw/zinc/79/84/82/343798482.db2.gz HESHOINKELHKOS-QWRGUYRKSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N(C)[C@@]1(CN)C[C@H](C)[N@H+](C)C1 126843855 343798531 /nfs/dbraw/zinc/79/85/31/343798531.db2.gz HESHOINKELHKOS-WDEREUQCSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N(C)[C@@]1(CN)C[C@H](C)[N@@H+](C)C1 126843855 343798533 /nfs/dbraw/zinc/79/85/33/343798533.db2.gz HESHOINKELHKOS-WDEREUQCSA-N 1 3 199.342 0.748 10 0 ACAEHO CCN(C)[C@@]1(CN)C[C@H](C)[N@H+](C)C1 126866076 343798544 /nfs/dbraw/zinc/79/85/44/343798544.db2.gz RSRVIBMXVFICRK-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@@]1(CN)C[C@H](C)[N@@H+](C)C1 126866076 343798545 /nfs/dbraw/zinc/79/85/45/343798545.db2.gz RSRVIBMXVFICRK-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@@]1(C[NH3+])C[C@H](C)N(C)C1 126866076 343798547 /nfs/dbraw/zinc/79/85/47/343798547.db2.gz RSRVIBMXVFICRK-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)N(C)[C@]1(CN)C[C@@H](C)[N@H+](C)C1 126843167 343798579 /nfs/dbraw/zinc/79/85/79/343798579.db2.gz HESHOINKELHKOS-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N(C)[C@]1(CN)C[C@@H](C)[N@@H+](C)C1 126843167 343798581 /nfs/dbraw/zinc/79/85/81/343798581.db2.gz HESHOINKELHKOS-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO CCN(C)[C@]1(CN)C[C@H](C)[N@H+](C)C1 126865843 343798611 /nfs/dbraw/zinc/79/86/11/343798611.db2.gz RSRVIBMXVFICRK-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)N(C)[C@@]1(CN)C[C@@H](C)[N@H+](C)C1 126843635 343798630 /nfs/dbraw/zinc/79/86/30/343798630.db2.gz HESHOINKELHKOS-GHMZBOCLSA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N(C)[C@@]1(CN)C[C@@H](C)[N@@H+](C)C1 126843635 343798631 /nfs/dbraw/zinc/79/86/31/343798631.db2.gz HESHOINKELHKOS-GHMZBOCLSA-N 1 3 199.342 0.748 10 0 ACAEHO [NH3+]CC1(Nc2ccncc2)CC1 127050289 343803213 /nfs/dbraw/zinc/80/32/13/343803213.db2.gz DGGDRTISVLABRQ-UHFFFAOYSA-N 1 3 163.224 0.985 10 0 ACAEHO CNC[C@@]1(C)CCCC[NH2+]1 127358529 343810303 /nfs/dbraw/zinc/81/03/03/343810303.db2.gz PUTMDVHDAOEZEO-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CNC[C@]1(C)CCCC[NH2+]1 127358775 343810561 /nfs/dbraw/zinc/81/05/61/343810561.db2.gz PUTMDVHDAOEZEO-QMMMGPOBSA-N 1 3 142.246 0.738 10 0 ACAEHO CN(C[C@H]1COC[C@@H]1[NH3+])C1CCC1 127545075 343813099 /nfs/dbraw/zinc/81/30/99/343813099.db2.gz LSTKTNRPBOGYRI-WPRPVWTQSA-N 1 3 184.283 0.444 10 0 ACAEHO CN(C[C@@H]1COC[C@@H]1[NH3+])C1CCC1 127544818 343813275 /nfs/dbraw/zinc/81/32/75/343813275.db2.gz LSTKTNRPBOGYRI-SCZZXKLOSA-N 1 3 184.283 0.444 10 0 ACAEHO CN(CC1C[NH2+]C1)C1CCC1 127541034 343813495 /nfs/dbraw/zinc/81/34/95/343813495.db2.gz MSVFJVQTYZTUKA-UHFFFAOYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@H+](CC1CNC1)C1CCC1 127541034 343813496 /nfs/dbraw/zinc/81/34/96/343813496.db2.gz MSVFJVQTYZTUKA-UHFFFAOYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[N@@H+](CC1CNC1)C1CCC1 127541034 343813497 /nfs/dbraw/zinc/81/34/97/343813497.db2.gz MSVFJVQTYZTUKA-UHFFFAOYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O 127616746 343814995 /nfs/dbraw/zinc/81/49/95/343814995.db2.gz ONLOSJOHQLXWQP-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O 127616746 343814997 /nfs/dbraw/zinc/81/49/97/343814997.db2.gz ONLOSJOHQLXWQP-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O 127616746 343814998 /nfs/dbraw/zinc/81/49/98/343814998.db2.gz ONLOSJOHQLXWQP-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CN(C2CC([NH3+])C2)CC[C@@H]1O 127619745 343815558 /nfs/dbraw/zinc/81/55/58/343815558.db2.gz QBITWLWQAJXZIO-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CN(C2CC([NH3+])C2)CC[C@@H]1O 127619520 343815931 /nfs/dbraw/zinc/81/59/31/343815931.db2.gz QBITWLWQAJXZIO-WOOKNIGNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CN(C2CC[NH2+]CC2)CC[C@@H]1O 127616926 343815970 /nfs/dbraw/zinc/81/59/70/343815970.db2.gz ONLOSJOHQLXWQP-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCNCC2)CC[C@@H]1O 127616926 343815972 /nfs/dbraw/zinc/81/59/72/343815972.db2.gz ONLOSJOHQLXWQP-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1C[N@H+](C2CCNCC2)CC[C@@H]1O 127616926 343815973 /nfs/dbraw/zinc/81/59/73/343815973.db2.gz ONLOSJOHQLXWQP-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@@H](C[NH3+])N1C[C@H](C)N(C)[C@H](C)C1 127663701 343816516 /nfs/dbraw/zinc/81/65/16/343816516.db2.gz ABDMLRSWICJKIO-AXFHLTTASA-N 1 3 199.342 0.748 10 0 ACAEHO CC[C@H](C[NH3+])N1C[C@H](C)N(C)[C@H](C)C1 127663894 343816539 /nfs/dbraw/zinc/81/65/39/343816539.db2.gz ABDMLRSWICJKIO-OUAUKWLOSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)[NH3+])C[C@@H](C)N1C 127709006 343817533 /nfs/dbraw/zinc/81/75/33/343817533.db2.gz WDNKUXGVDIAFLV-BBBLOLIVSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@H](C)N(C)[C@@H](C)C1 127715456 343817565 /nfs/dbraw/zinc/81/75/65/343817565.db2.gz WDNKUXGVDIAFLV-GUBZILKMSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@@H](C)N(C)[C@H](C)C1 127709435 343817619 /nfs/dbraw/zinc/81/76/19/343817619.db2.gz WDNKUXGVDIAFLV-OPRDCNLKSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@H](C)N(C)[C@H](C)C1 127715183 343817685 /nfs/dbraw/zinc/81/76/85/343817685.db2.gz WDNKUXGVDIAFLV-LPEHRKFASA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)[NH3+])C[C@H](C)N1C 127709225 343817837 /nfs/dbraw/zinc/81/78/37/343817837.db2.gz WDNKUXGVDIAFLV-UTLUCORTSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@@H](C)N(C)[C@H](C)C1 127715734 343817911 /nfs/dbraw/zinc/81/79/11/343817911.db2.gz WDNKUXGVDIAFLV-IVZWLZJFSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1C[C@H](C)N(C)[C@H](C)C1 127758283 343818130 /nfs/dbraw/zinc/81/81/30/343818130.db2.gz JIBNPGVWHKFWTE-YIZRAAEISA-N 1 3 198.314 0.335 10 0 ACAEHO C[C@H]1CN(C/C=C/C[NH3+])C[C@@H](C)N1C 127753288 343818371 /nfs/dbraw/zinc/81/83/71/343818371.db2.gz QRGZZMJPIFLABP-UZPIOYONSA-N 1 3 197.326 0.526 10 0 ACAEHO C[C@@H]1CN(C/C=C/C[NH3+])C[C@@H](C)N1C 127753727 343818480 /nfs/dbraw/zinc/81/84/80/343818480.db2.gz QRGZZMJPIFLABP-XKFHPXPTSA-N 1 3 197.326 0.526 10 0 ACAEHO CC[C@@H]([NH3+])CCNC1CC1 127803998 343819540 /nfs/dbraw/zinc/81/95/40/343819540.db2.gz HAWZTXFNOUFFBW-SSDOTTSWSA-N 1 3 142.246 0.866 10 0 ACAEHO CC[C@H]([NH3+])CCNC1CC1 127803757 343819714 /nfs/dbraw/zinc/81/97/14/343819714.db2.gz HAWZTXFNOUFFBW-ZETCQYMHSA-N 1 3 142.246 0.866 10 0 ACAEHO CN(C1CCC1)C1CC([NH3+])C1 128039324 343823567 /nfs/dbraw/zinc/82/35/67/343823567.db2.gz REMXIZYRFWRNKL-UHFFFAOYSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@H+](C1CCC1)C1CC(N)C1 128039324 343823570 /nfs/dbraw/zinc/82/35/70/343823570.db2.gz REMXIZYRFWRNKL-UHFFFAOYSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@@H+](C1CCC1)C1CC(N)C1 128039324 343823573 /nfs/dbraw/zinc/82/35/73/343823573.db2.gz REMXIZYRFWRNKL-UHFFFAOYSA-N 1 3 154.257 0.960 10 0 ACAEHO CCC[C@@H](N)CC[NH2+]C 128578828 343834008 /nfs/dbraw/zinc/83/40/08/343834008.db2.gz DCCIMWUXHFXMCA-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[C@@H]([NH3+])CCNC 128578828 343834010 /nfs/dbraw/zinc/83/40/10/343834010.db2.gz DCCIMWUXHFXMCA-SSDOTTSWSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[C@H](N)CC[NH2+]C 128578622 343834073 /nfs/dbraw/zinc/83/40/73/343834073.db2.gz DCCIMWUXHFXMCA-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO CCC[C@H]([NH3+])CCNC 128578622 343834074 /nfs/dbraw/zinc/83/40/74/343834074.db2.gz DCCIMWUXHFXMCA-ZETCQYMHSA-N 1 3 130.235 0.723 10 0 ACAEHO CC(C)N[C@@]1(C[NH3+])CCO[C@H]1C 133251280 343914071 /nfs/dbraw/zinc/91/40/71/343914071.db2.gz KEGCHFUUSVMNGO-DTWKUNHWSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1CN(CC2([NH3+])CC2)C[C@@H](C)N1C 129313960 343848061 /nfs/dbraw/zinc/84/80/61/343848061.db2.gz SMQKJMXADHLYGJ-NXEZZACHSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CN(CC2([NH3+])CC2)C[C@H](C)N1C 129313771 343848235 /nfs/dbraw/zinc/84/82/35/343848235.db2.gz SMQKJMXADHLYGJ-UWVGGRQHSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CN(CC2([NH3+])CC2)C[C@@H](C)N1C 129313552 343848267 /nfs/dbraw/zinc/84/82/67/343848267.db2.gz SMQKJMXADHLYGJ-AOOOYVTPSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CN(CC2C[NH2+]C2)C[C@H](C)N1C 129338249 343848635 /nfs/dbraw/zinc/84/86/35/343848635.db2.gz RRSHONFBHDULOI-UWVGGRQHSA-N 1 3 197.326 0.230 10 0 ACAEHO C[C@H]1CN(CC2C[NH2+]C2)C[C@@H](C)N1C 129338055 343848878 /nfs/dbraw/zinc/84/88/78/343848878.db2.gz RRSHONFBHDULOI-AOOOYVTPSA-N 1 3 197.326 0.230 10 0 ACAEHO C[C@@H](CN1CCN(C)CC1)C1C[NH2+]C1 129439578 343850166 /nfs/dbraw/zinc/85/01/66/343850166.db2.gz VFOKBVQAWKSKFN-JTQLQIEISA-N 1 3 197.326 0.089 10 0 ACAEHO C[C@H](CN1CCN(C)CC1)C1C[NH2+]C1 129439753 343850206 /nfs/dbraw/zinc/85/02/06/343850206.db2.gz VFOKBVQAWKSKFN-SNVBAGLBSA-N 1 3 197.326 0.089 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)C2C[NH2+]C2)CCO1 129446477 343850413 /nfs/dbraw/zinc/85/04/13/343850413.db2.gz RYXFXQNTURDDMU-ZJUUUORDSA-N 1 3 198.310 0.563 10 0 ACAEHO C[C@H](CN1CCO[C@H](C)C1)C1C[NH2+]C1 129446257 343850827 /nfs/dbraw/zinc/85/08/27/343850827.db2.gz RYXFXQNTURDDMU-NXEZZACHSA-N 1 3 198.310 0.563 10 0 ACAEHO CC(CN1CCSCC1)=C1C[NH2+]C1 129467479 343851145 /nfs/dbraw/zinc/85/11/45/343851145.db2.gz PIIGPBMRJDWRFL-UHFFFAOYSA-N 1 3 198.335 0.955 10 0 ACAEHO C[C@H]1CC[C@H]([NH2+]CC2CNC2)C1 129489386 343851171 /nfs/dbraw/zinc/85/11/71/343851171.db2.gz DJEFTMJKZGHCQR-WPRPVWTQSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[N@H+](C)CC(C)=C1CNC1 129470914 343851274 /nfs/dbraw/zinc/85/12/74/343851274.db2.gz HORXTTRQEQHAMP-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO CC[N@@H+](C)CC(C)=C1CNC1 129470914 343851276 /nfs/dbraw/zinc/85/12/76/343851276.db2.gz HORXTTRQEQHAMP-UHFFFAOYSA-N 1 3 154.257 0.858 10 0 ACAEHO C[C@H]1CC[C@@H]([NH2+]CC2CNC2)C1 129489845 343851317 /nfs/dbraw/zinc/85/13/17/343851317.db2.gz DJEFTMJKZGHCQR-WCBMZHEXSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1CN(CCC2C[NH2+]C2)[C@H](C)CO1 129496994 343851711 /nfs/dbraw/zinc/85/17/11/343851711.db2.gz GJUQSDHOBRNBMU-ZJUUUORDSA-N 1 3 198.310 0.705 10 0 ACAEHO C[C@@H]1CN(CCC2C[NH2+]C2)[C@H](C)CO1 129496804 343851899 /nfs/dbraw/zinc/85/18/99/343851899.db2.gz GJUQSDHOBRNBMU-NXEZZACHSA-N 1 3 198.310 0.705 10 0 ACAEHO CC(C[NH2+]C(C)C)=C1CNC1 129528539 343852336 /nfs/dbraw/zinc/85/23/36/343852336.db2.gz QFEFNSLLTRIYTC-UHFFFAOYSA-N 1 3 154.257 0.904 10 0 ACAEHO C[NH2+]CC(C)=C1CNC1 129534586 343852456 /nfs/dbraw/zinc/85/24/56/343852456.db2.gz QRGVPAOBRCRGQM-UHFFFAOYSA-N 1 3 126.203 0.126 10 0 ACAEHO CC[NH2+]CC(C)=C1CNC1 129535404 343852467 /nfs/dbraw/zinc/85/24/67/343852467.db2.gz MBTIFECPNUZKRH-UHFFFAOYSA-N 1 3 140.230 0.516 10 0 ACAEHO CC(C[NH2+]C1CC1)=C1CNC1 129532088 343852669 /nfs/dbraw/zinc/85/26/69/343852669.db2.gz NZIWBOSPKRXQKF-UHFFFAOYSA-N 1 3 152.241 0.658 10 0 ACAEHO CC(C)(C)[C@H]([NH3+])CCN 129602975 343853669 /nfs/dbraw/zinc/85/36/69/343853669.db2.gz GFLQRTCHQOIOST-ZCFIWIBFSA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C)(C)[C@H](N)CC[NH3+] 129602975 343853671 /nfs/dbraw/zinc/85/36/71/343853671.db2.gz GFLQRTCHQOIOST-ZCFIWIBFSA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C)(C)[C@@H]([NH3+])CCN 129603207 343853692 /nfs/dbraw/zinc/85/36/92/343853692.db2.gz GFLQRTCHQOIOST-LURJTMIESA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C)(C)[C@@H](N)CC[NH3+] 129603207 343853694 /nfs/dbraw/zinc/85/36/94/343853694.db2.gz GFLQRTCHQOIOST-LURJTMIESA-N 1 3 130.235 0.709 10 0 ACAEHO CC(C[NH2+][C@]1(C)CCOC1)=C1CNC1 129819278 343857364 /nfs/dbraw/zinc/85/73/64/343857364.db2.gz KVTBTOZPSSCQGC-LLVKDONJSA-N 1 3 196.294 0.675 10 0 ACAEHO CC(C[NH2+][C@@]1(C)CCOC1)=C1CNC1 129819520 343857602 /nfs/dbraw/zinc/85/76/02/343857602.db2.gz KVTBTOZPSSCQGC-NSHDSACASA-N 1 3 196.294 0.675 10 0 ACAEHO [NH3+]C[C@H](CO)N1CCCCCCC1 130018362 343860348 /nfs/dbraw/zinc/86/03/48/343860348.db2.gz UKUOPSVNRFLOHJ-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO NCC[C@H]([NH3+])C1CC1 130041507 343860356 /nfs/dbraw/zinc/86/03/56/343860356.db2.gz YMVQIDAYXZCGJI-LURJTMIESA-N 1 3 114.192 0.073 10 0 ACAEHO NCC[C@@H]([NH3+])C1CC1 130041316 343860405 /nfs/dbraw/zinc/86/04/05/343860405.db2.gz YMVQIDAYXZCGJI-ZCFIWIBFSA-N 1 3 114.192 0.073 10 0 ACAEHO [NH3+]C[C@@H](CO)N1CCCCCCC1 130018157 343860455 /nfs/dbraw/zinc/86/04/55/343860455.db2.gz UKUOPSVNRFLOHJ-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO [NH3+]Cc1cncn1-c1ccncc1 130082663 343861666 /nfs/dbraw/zinc/86/16/66/343861666.db2.gz LHLVHVGTHQBNLN-UHFFFAOYSA-N 1 3 174.207 0.726 10 0 ACAEHO C[NH2+]Cc1ccnc(CN)c1 130442163 343868757 /nfs/dbraw/zinc/86/87/57/343868757.db2.gz MFZLZRLSSSOSFQ-UHFFFAOYSA-N 1 3 151.213 0.260 10 0 ACAEHO CO[C@@H]1CCC[C@@H](N2CC[C@@H]([NH3+])C2)C1 130827548 343875404 /nfs/dbraw/zinc/87/54/04/343875404.db2.gz LKXSRWGNMFASHG-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1CCC[C@H](N2CC[C@@H]([NH3+])C2)C1 130827138 343875577 /nfs/dbraw/zinc/87/55/77/343875577.db2.gz LKXSRWGNMFASHG-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+][C@@H]1CCN([C@@H]2CCCCC[C@H]2O)C1 130842370 343876171 /nfs/dbraw/zinc/87/61/71/343876171.db2.gz UTTSTPJGTCFADW-GMTAPVOTSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCN([C@H]2CCCCC[C@H]2O)C1 130842144 343876267 /nfs/dbraw/zinc/87/62/67/343876267.db2.gz UTTSTPJGTCFADW-OUAUKWLOSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCN([C@@H]2CCCCC[C@@H]2O)C1 130842818 343876394 /nfs/dbraw/zinc/87/63/94/343876394.db2.gz UTTSTPJGTCFADW-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@@H]1CCN([C@H]2CCCCC[C@@H]2O)C1 130842585 343876702 /nfs/dbraw/zinc/87/67/02/343876702.db2.gz UTTSTPJGTCFADW-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+][C@H]1CC[C@H](NCC2(O)CCC2)C1 131135505 343880328 /nfs/dbraw/zinc/88/03/28/343880328.db2.gz DIYQRSXMGPGZLP-IUCAKERBSA-N 1 3 184.283 0.371 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](NCC2(O)CCC2)C1 131135717 343880496 /nfs/dbraw/zinc/88/04/96/343880496.db2.gz DIYQRSXMGPGZLP-RKDXNWHRSA-N 1 3 184.283 0.371 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](NCC2(O)CCC2)C1 131135934 343880521 /nfs/dbraw/zinc/88/05/21/343880521.db2.gz DIYQRSXMGPGZLP-BDAKNGLRSA-N 1 3 184.283 0.371 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](NCC2(O)CCC2)C1 131135283 343880796 /nfs/dbraw/zinc/88/07/96/343880796.db2.gz DIYQRSXMGPGZLP-DTWKUNHWSA-N 1 3 184.283 0.371 10 0 ACAEHO CN1CC[C@@H](n2cncc2CC[NH3+])C1 131321083 343884031 /nfs/dbraw/zinc/88/40/31/343884031.db2.gz LQLJMICADVZUQJ-SNVBAGLBSA-N 1 3 194.282 0.261 10 0 ACAEHO CC[C@H](NC)[C@H]1C[N@H+](C)CCCN1C 132309916 343895941 /nfs/dbraw/zinc/89/59/41/343895941.db2.gz SOWFUXXQWNILIL-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](NC)[C@H]1C[N@@H+](C)CCCN1C 132309916 343895942 /nfs/dbraw/zinc/89/59/42/343895942.db2.gz SOWFUXXQWNILIL-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)[C@@H]([NH3+])[C@@H]1CN(C)CCCN1C 132295659 343896050 /nfs/dbraw/zinc/89/60/50/343896050.db2.gz YHFBMOXKLOUCGT-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H]([NH3+])[C@@H]1CN(C)CCCN1C 132295462 343896067 /nfs/dbraw/zinc/89/60/67/343896067.db2.gz YHFBMOXKLOUCGT-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CC[C@@H](NC)[C@H]1C[N@H+](C)CCCN1C 132310132 343896166 /nfs/dbraw/zinc/89/61/66/343896166.db2.gz SOWFUXXQWNILIL-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](NC)[C@H]1C[N@@H+](C)CCCN1C 132310132 343896168 /nfs/dbraw/zinc/89/61/68/343896168.db2.gz SOWFUXXQWNILIL-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO CC(C)[C@H]([NH3+])[C@H]1CN(C)CCCN1C 132295854 343896235 /nfs/dbraw/zinc/89/62/35/343896235.db2.gz YHFBMOXKLOUCGT-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H]([NH3+])[C@H]1CN(C)CCCN1C 132296065 343896379 /nfs/dbraw/zinc/89/63/79/343896379.db2.gz YHFBMOXKLOUCGT-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO CC[C@@H](NC)[C@@H]1C[N@H+](C)CCCN1C 132309736 343896403 /nfs/dbraw/zinc/89/64/03/343896403.db2.gz SOWFUXXQWNILIL-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@@H](NC)[C@@H]1C[N@@H+](C)CCCN1C 132309736 343896405 /nfs/dbraw/zinc/89/64/05/343896405.db2.gz SOWFUXXQWNILIL-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](NC)[C@@H]1C[N@H+](C)CCCN1C 132309577 343896416 /nfs/dbraw/zinc/89/64/16/343896416.db2.gz SOWFUXXQWNILIL-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CC[C@H](NC)[C@@H]1C[N@@H+](C)CCCN1C 132309577 343896417 /nfs/dbraw/zinc/89/64/17/343896417.db2.gz SOWFUXXQWNILIL-QWRGUYRKSA-N 1 3 199.342 0.620 10 0 ACAEHO CN[C@H](C)[C@@H]1C[N@H+](C)CCCN1C 132313463 343896858 /nfs/dbraw/zinc/89/68/58/343896858.db2.gz FEUWLSQDGRECEO-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@H](C)[C@@H]1C[N@@H+](C)CCCN1C 132313463 343896860 /nfs/dbraw/zinc/89/68/60/343896860.db2.gz FEUWLSQDGRECEO-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@@H](C)[C@@H]1C[N@H+](C)CCCN1C 132313324 343896871 /nfs/dbraw/zinc/89/68/71/343896871.db2.gz FEUWLSQDGRECEO-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@@H](C)[C@@H]1C[N@@H+](C)CCCN1C 132313324 343896872 /nfs/dbraw/zinc/89/68/72/343896872.db2.gz FEUWLSQDGRECEO-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@@H](C)[C@H]1C[N@H+](C)CCCN1C 132313596 343896980 /nfs/dbraw/zinc/89/69/80/343896980.db2.gz FEUWLSQDGRECEO-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@@H](C)[C@H]1C[N@@H+](C)CCCN1C 132313596 343896981 /nfs/dbraw/zinc/89/69/81/343896981.db2.gz FEUWLSQDGRECEO-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@H](C)[C@H]1C[N@H+](C)CCCN1C 132313766 343897011 /nfs/dbraw/zinc/89/70/11/343897011.db2.gz FEUWLSQDGRECEO-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO CN[C@H](C)[C@H]1C[N@@H+](C)CCCN1C 132313766 343897012 /nfs/dbraw/zinc/89/70/12/343897012.db2.gz FEUWLSQDGRECEO-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO NC1CC([NH2+]C2CC=CC2)C1 132606203 343901456 /nfs/dbraw/zinc/90/14/56/343901456.db2.gz WFOIPKHXTDRUAB-UHFFFAOYSA-N 1 3 152.241 0.784 10 0 ACAEHO [NH3+]C1CC(NC2CC=CC2)C1 132606203 343901457 /nfs/dbraw/zinc/90/14/57/343901457.db2.gz WFOIPKHXTDRUAB-UHFFFAOYSA-N 1 3 152.241 0.784 10 0 ACAEHO Cc1c[nH+]c(NCCN(C)C)cc1N 132989991 343909466 /nfs/dbraw/zinc/90/94/66/343909466.db2.gz NWAVIVYZODUAGY-UHFFFAOYSA-N 1 3 194.282 0.946 10 0 ACAEHO [NH3+][C@H]1CCN(C2CC=CC2)C1 133105215 343912105 /nfs/dbraw/zinc/91/21/05/343912105.db2.gz WRTMFQWDRFZRHK-QMMMGPOBSA-N 1 3 152.241 0.738 10 0 ACAEHO [NH3+][C@@H]1CCN(C2CC=CC2)C1 133105010 343912284 /nfs/dbraw/zinc/91/22/84/343912284.db2.gz WRTMFQWDRFZRHK-MRVPVSSYSA-N 1 3 152.241 0.738 10 0 ACAEHO Cc1cnc(N2CC[NH2+]CC2)cc1N 133163899 343912555 /nfs/dbraw/zinc/91/25/55/343912555.db2.gz OEJLOVGYKHQBFF-UHFFFAOYSA-N 1 3 192.266 0.382 10 0 ACAEHO Cc1cnc(NCC[NH3+])cc1N 133174358 343912871 /nfs/dbraw/zinc/91/28/71/343912871.db2.gz HDCQKHIEJCQNPJ-UHFFFAOYSA-N 1 3 166.228 0.343 10 0 ACAEHO CCN[C@]1(C[NH3+])CCO[C@@H]1C 133249416 343913931 /nfs/dbraw/zinc/91/39/31/343913931.db2.gz GLUMBAHZFLMKHZ-SFYZADRCSA-N 1 3 158.245 0.102 10 0 ACAEHO CC(C)N[C@@]1(C[NH3+])CCO[C@@H]1C 133251063 343914186 /nfs/dbraw/zinc/91/41/86/343914186.db2.gz KEGCHFUUSVMNGO-RKDXNWHRSA-N 1 3 172.272 0.491 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCO[C@H]1C 133249984 343914245 /nfs/dbraw/zinc/91/42/45/343914245.db2.gz GLUMBAHZFLMKHZ-JGVFFNPUSA-N 1 3 158.245 0.102 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCO[C@@H]1C 133249587 343914318 /nfs/dbraw/zinc/91/43/18/343914318.db2.gz GLUMBAHZFLMKHZ-HTQZYQBOSA-N 1 3 158.245 0.102 10 0 ACAEHO CC(C)N[C@]1(C[NH3+])CCO[C@@H]1C 133251480 343914353 /nfs/dbraw/zinc/91/43/53/343914353.db2.gz KEGCHFUUSVMNGO-BDAKNGLRSA-N 1 3 172.272 0.491 10 0 ACAEHO CCN[C@]1(C[NH3+])CCO[C@H]1C 133249789 343914388 /nfs/dbraw/zinc/91/43/88/343914388.db2.gz GLUMBAHZFLMKHZ-YUMQZZPRSA-N 1 3 158.245 0.102 10 0 ACAEHO CC(C)N[C@]1(C[NH3+])CCO[C@H]1C 133251686 343914406 /nfs/dbraw/zinc/91/44/06/343914406.db2.gz KEGCHFUUSVMNGO-IUCAKERBSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H](O)CCN1CCC([NH3+])CC1 133400332 343917908 /nfs/dbraw/zinc/91/79/08/343917908.db2.gz WRRQVBXVSACMKY-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](O)CCN1CCC([NH3+])CC1 133400542 343918134 /nfs/dbraw/zinc/91/81/34/343918134.db2.gz WRRQVBXVSACMKY-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1OCC[C@H]1NC1CC([NH3+])C1 133450094 343918764 /nfs/dbraw/zinc/91/87/64/343918764.db2.gz CGJDEFSQULAIDV-DFAZKQQPSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@H]1OCC[C@@H]1NC1CC([NH3+])C1 133450278 343918724 /nfs/dbraw/zinc/91/87/24/343918724.db2.gz CGJDEFSQULAIDV-KHONBHQKSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@H]1OCC[C@H]1NC1CC([NH3+])C1 133449896 343918790 /nfs/dbraw/zinc/91/87/90/343918790.db2.gz CGJDEFSQULAIDV-MDVIFZSFSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@H]1CC(N)(C[NH3+])C[C@H](C)O1 133449847 343918862 /nfs/dbraw/zinc/91/88/62/343918862.db2.gz ZZHSZFCCZVNGRD-BQBZGAKWSA-N 1 3 158.245 0.230 10 0 ACAEHO CO[C@@H](C)[C@H](C)[N@@H+]1CCCNCC1 134014879 343931507 /nfs/dbraw/zinc/93/15/07/343931507.db2.gz NMHDXSJKLJQKPM-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)[C@H](C)[N@H+]1CCCNCC1 134014879 343931509 /nfs/dbraw/zinc/93/15/09/343931509.db2.gz NMHDXSJKLJQKPM-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)[C@@H](C)[N@@H+]1CCCNCC1 134015063 343931710 /nfs/dbraw/zinc/93/17/10/343931710.db2.gz NMHDXSJKLJQKPM-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)[C@@H](C)[N@H+]1CCCNCC1 134015063 343931711 /nfs/dbraw/zinc/93/17/11/343931711.db2.gz NMHDXSJKLJQKPM-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)[C@H](C)[N@@H+]1CCCNCC1 134014502 343931885 /nfs/dbraw/zinc/93/18/85/343931885.db2.gz NMHDXSJKLJQKPM-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)[C@@H](C)[N@@H+]1CCCNCC1 134014659 343931871 /nfs/dbraw/zinc/93/18/71/343931871.db2.gz NMHDXSJKLJQKPM-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)[C@@H](C)[N@H+]1CCCNCC1 134014659 343931875 /nfs/dbraw/zinc/93/18/75/343931875.db2.gz NMHDXSJKLJQKPM-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)[C@H](C)[N@H+]1CCCNCC1 134014502 343931887 /nfs/dbraw/zinc/93/18/87/343931887.db2.gz NMHDXSJKLJQKPM-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H]1C[C@@H](C[NH3+])CN1[C@@H]1CCOC1 134207341 343936538 /nfs/dbraw/zinc/93/65/38/343936538.db2.gz RIIQRQLWXFJJRD-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[C@H](C[NH3+])CN1[C@@H]1CCOC1 134207116 343936576 /nfs/dbraw/zinc/93/65/76/343936576.db2.gz RIIQRQLWXFJJRD-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H](CC[NH3+])Nc1nccn1C 134274606 343938530 /nfs/dbraw/zinc/93/85/30/343938530.db2.gz RXRFQQHBTHRKKO-ZETCQYMHSA-N 1 3 168.244 0.569 10 0 ACAEHO C[C@H](CC[NH3+])Nc1nccn1C 134274626 343938578 /nfs/dbraw/zinc/93/85/78/343938578.db2.gz RXRFQQHBTHRKKO-SSDOTTSWSA-N 1 3 168.244 0.569 10 0 ACAEHO CN1CCC[C@@](C[NH3+])(NC2CC2)C1 134306587 343939187 /nfs/dbraw/zinc/93/91/87/343939187.db2.gz MQGLVYWXKNYVCI-JTQLQIEISA-N 1 3 183.299 0.162 10 0 ACAEHO CN1CCC[C@](C[NH3+])(NC2CC2)C1 134306608 343939141 /nfs/dbraw/zinc/93/91/41/343939141.db2.gz MQGLVYWXKNYVCI-SNVBAGLBSA-N 1 3 183.299 0.162 10 0 ACAEHO CCN(C1C[NH2+]C1)[C@@H]1CCCN(C)C1 134332687 343940173 /nfs/dbraw/zinc/94/01/73/343940173.db2.gz PIXLBSJNDCQAMN-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN(C1C[NH2+]C1)[C@H]1CCCN(C)C1 134332714 343940321 /nfs/dbraw/zinc/94/03/21/343940321.db2.gz PIXLBSJNDCQAMN-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC/C(=C\C[NH3+])C1 134360193 343941330 /nfs/dbraw/zinc/94/13/30/343941330.db2.gz HYZRUYWAFLAMKV-XBXARRHUSA-N 1 3 140.230 0.597 10 0 ACAEHO CN1CCC/C(=C\CC[NH3+])C1 134360227 343941484 /nfs/dbraw/zinc/94/14/84/343941484.db2.gz JWWCWXFYRPEXEX-RUDMXATFSA-N 1 3 154.257 0.987 10 0 ACAEHO C[C@@H]1CCCN1[C@]1(C[NH3+])CCO[C@@H]1C 134407765 343942415 /nfs/dbraw/zinc/94/24/15/343942415.db2.gz JVWNDYOYENZPQL-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N1CC[C@H](C[NH3+])C1 134426048 343942820 /nfs/dbraw/zinc/94/28/20/343942820.db2.gz PSDVGLIWMDOCRO-AEJSXWLSSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1OCC[C@H]1N1CC[C@H](C[NH3+])C1 134426007 343943017 /nfs/dbraw/zinc/94/30/17/343943017.db2.gz PSDVGLIWMDOCRO-IVZWLZJFSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1OCC[C@@H]1NC1CC[NH2+]CC1 134527316 343944305 /nfs/dbraw/zinc/94/43/05/343944305.db2.gz WBKHAVSIJYJADX-WPRPVWTQSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[NH2+]C1CCNCC1 134527316 343944307 /nfs/dbraw/zinc/94/43/07/343944307.db2.gz WBKHAVSIJYJADX-WPRPVWTQSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]1OCC[C@H]1NC1CC[NH2+]CC1 134527249 343944390 /nfs/dbraw/zinc/94/43/90/343944390.db2.gz WBKHAVSIJYJADX-PSASIEDQSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]1OCC[C@H]1[NH2+]C1CCNCC1 134527249 343944393 /nfs/dbraw/zinc/94/43/93/343944393.db2.gz WBKHAVSIJYJADX-PSASIEDQSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1OCC[C@H]1NC1CC[NH2+]CC1 134527266 343944423 /nfs/dbraw/zinc/94/44/23/343944423.db2.gz WBKHAVSIJYJADX-WCBMZHEXSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1OCC[C@H]1[NH2+]C1CCNCC1 134527266 343944424 /nfs/dbraw/zinc/94/44/24/343944424.db2.gz WBKHAVSIJYJADX-WCBMZHEXSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]1OCC[C@@H]1NC1CC[NH2+]CC1 134527292 343944436 /nfs/dbraw/zinc/94/44/36/343944436.db2.gz WBKHAVSIJYJADX-SCZZXKLOSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]1OCC[C@@H]1[NH2+]C1CCNCC1 134527292 343944438 /nfs/dbraw/zinc/94/44/38/343944438.db2.gz WBKHAVSIJYJADX-SCZZXKLOSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 134535465 343944680 /nfs/dbraw/zinc/94/46/80/343944680.db2.gz OAJHKCVRMAXXCT-QEYWKRMJSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCO[C@@H]2C)CCN1 134588353 343946932 /nfs/dbraw/zinc/94/69/32/343946932.db2.gz SKSPEFCEIQVMJU-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCO[C@@H]2C)CCN1 134588353 343946933 /nfs/dbraw/zinc/94/69/33/343946933.db2.gz SKSPEFCEIQVMJU-GMTAPVOTSA-N 1 3 198.310 0.848 10 0 ACAEHO CN([C@@H]1CCOC1)[C@@H]1CC[C@H]([NH3+])C1 134671528 343947872 /nfs/dbraw/zinc/94/78/72/343947872.db2.gz OJUIETADWPAGRH-IVZWLZJFSA-N 1 3 184.283 0.587 10 0 ACAEHO CN([C@H]1CC[C@H]([NH3+])C1)[C@@H]1CCOC1 134671548 343948070 /nfs/dbraw/zinc/94/80/70/343948070.db2.gz OJUIETADWPAGRH-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1OCC[C@@H]1[N@H+](C)C1CCNCC1 134700206 343948337 /nfs/dbraw/zinc/94/83/37/343948337.db2.gz ANJAAEPAYZRTPM-KOLCDFICSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1OCC[C@@H]1[N@@H+](C)C1CCNCC1 134700206 343948338 /nfs/dbraw/zinc/94/83/38/343948338.db2.gz ANJAAEPAYZRTPM-KOLCDFICSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1OCC[C@@H]1[N@H+](C)CC1(N)CC1 134707087 343948347 /nfs/dbraw/zinc/94/83/47/343948347.db2.gz YXPFDERXNMICBV-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1OCC[C@@H]1[N@@H+](C)CC1(N)CC1 134707087 343948349 /nfs/dbraw/zinc/94/83/49/343948349.db2.gz YXPFDERXNMICBV-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@H+](C)C1CCNCC1 134700226 343948422 /nfs/dbraw/zinc/94/84/22/343948422.db2.gz ANJAAEPAYZRTPM-ONGXEEELSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@@H+](C)C1CCNCC1 134700226 343948424 /nfs/dbraw/zinc/94/84/24/343948424.db2.gz ANJAAEPAYZRTPM-ONGXEEELSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1OCC[C@H]1[N@H+](C)C1CCNCC1 134700167 343948572 /nfs/dbraw/zinc/94/85/72/343948572.db2.gz ANJAAEPAYZRTPM-MWLCHTKSSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@H]1OCC[C@H]1[N@@H+](C)C1CCNCC1 134700167 343948573 /nfs/dbraw/zinc/94/85/73/343948573.db2.gz ANJAAEPAYZRTPM-MWLCHTKSSA-N 1 3 198.310 0.848 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@H+](C)CC1(N)CC1 134707069 343948636 /nfs/dbraw/zinc/94/86/36/343948636.db2.gz YXPFDERXNMICBV-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@@H+](C)CC1(N)CC1 134707069 343948638 /nfs/dbraw/zinc/94/86/38/343948638.db2.gz YXPFDERXNMICBV-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1OCC[C@H]1[N@H+](C)CC1(N)CC1 134707047 343948654 /nfs/dbraw/zinc/94/86/54/343948654.db2.gz YXPFDERXNMICBV-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1OCC[C@H]1[N@@H+](C)CC1(N)CC1 134707047 343948656 /nfs/dbraw/zinc/94/86/56/343948656.db2.gz YXPFDERXNMICBV-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@]1(CN)CCC[C@H]1[NH3+] 134951797 343951655 /nfs/dbraw/zinc/95/16/55/343951655.db2.gz KKVOJIDCQODZJF-RNFRBKRXSA-N 1 3 128.219 0.463 10 0 ACAEHO C[NH2+]C[C@@]1(C)CCC[C@@H]1N 134951337 343951772 /nfs/dbraw/zinc/95/17/72/343951772.db2.gz FSQJXVJVRKQUGB-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[NH2+]C[C@]1(C)CCC[C@H]1N 134951395 343951801 /nfs/dbraw/zinc/95/18/01/343951801.db2.gz FSQJXVJVRKQUGB-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@]1(CN)CCC[C@@H]1[NH3+] 134951756 343951918 /nfs/dbraw/zinc/95/19/18/343951918.db2.gz KKVOJIDCQODZJF-NKWVEPMBSA-N 1 3 128.219 0.463 10 0 ACAEHO C[NH2+]C[C@]1(C)CCC[C@@H]1N 134951352 343952066 /nfs/dbraw/zinc/95/20/66/343952066.db2.gz FSQJXVJVRKQUGB-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO C[NH2+]C[C@@]1(C)CCC[C@H]1N 134951374 343952071 /nfs/dbraw/zinc/95/20/71/343952071.db2.gz FSQJXVJVRKQUGB-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO CNC(=[NH2+])N[C@H]1CCN(C)C[C@@H]1C 136362750 343980031 /nfs/dbraw/zinc/98/00/31/343980031.db2.gz CNGUUPXTXLUXDE-YUMQZZPRSA-N 1 3 184.287 0.070 10 0 ACAEHO CNC(=[NH2+])N[C@H]1CCN(C)C[C@H]1C 136362703 343980132 /nfs/dbraw/zinc/98/01/32/343980132.db2.gz CNGUUPXTXLUXDE-SFYZADRCSA-N 1 3 184.287 0.070 10 0 ACAEHO [NH3+][C@H]1CCN2CC[C@H]1C2 136930143 343982867 /nfs/dbraw/zinc/98/28/67/343982867.db2.gz WAZDINYOWZDPNW-BQBZGAKWSA-N 1 3 126.203 0.039 10 0 ACAEHO C[C@H]1CC[C@@H]([NH3+])CN1 141178622 344004283 /nfs/dbraw/zinc/00/42/83/344004283.db2.gz CEPZJYNJDFUBDR-NTSWFWBYSA-N 1 3 114.192 0.086 10 0 ACAEHO C[C@H]1CC[C@H]([NH3+])CN1 141178273 344004342 /nfs/dbraw/zinc/00/43/42/344004342.db2.gz CEPZJYNJDFUBDR-WDSKDSINSA-N 1 3 114.192 0.086 10 0 ACAEHO CC(C)N(C)CC1C[NH2+]C1 141331182 344005357 /nfs/dbraw/zinc/00/53/57/344005357.db2.gz ARLYERCAHSFNOS-UHFFFAOYSA-N 1 3 142.246 0.546 10 0 ACAEHO CC(C)[N@H+](C)CC1CNC1 141331182 344005361 /nfs/dbraw/zinc/00/53/61/344005361.db2.gz ARLYERCAHSFNOS-UHFFFAOYSA-N 1 3 142.246 0.546 10 0 ACAEHO CC(C)[N@@H+](C)CC1CNC1 141331182 344005364 /nfs/dbraw/zinc/00/53/64/344005364.db2.gz ARLYERCAHSFNOS-UHFFFAOYSA-N 1 3 142.246 0.546 10 0 ACAEHO CC(C)[NH2+]CC1CNC1 141331379 344005453 /nfs/dbraw/zinc/00/54/53/344005453.db2.gz FUTBUSZZZDEAAF-UHFFFAOYSA-N 1 3 128.219 0.204 10 0 ACAEHO C[C@H]1CNC[C@H](C)C1[NH+](C)C 142357094 344011801 /nfs/dbraw/zinc/01/18/01/344011801.db2.gz JCIHJQGIECMFCJ-YUMQZZPRSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H](C)C1N(C)C 142357094 344011803 /nfs/dbraw/zinc/01/18/03/344011803.db2.gz JCIHJQGIECMFCJ-YUMQZZPRSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@@H]1CNC[C@@H](C)C1[NH+](C)C 142356663 344011963 /nfs/dbraw/zinc/01/19/63/344011963.db2.gz JCIHJQGIECMFCJ-HTQZYQBOSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](C)C1N(C)C 142356663 344011965 /nfs/dbraw/zinc/01/19/65/344011965.db2.gz JCIHJQGIECMFCJ-HTQZYQBOSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN(C)[C@@H]1C 143490620 344019374 /nfs/dbraw/zinc/01/93/74/344019374.db2.gz LYRGEXSZZAEQRM-XLPZGREQSA-N 1 3 142.246 0.674 10 0 ACAEHO C1CCN(C[C@H]2C[NH2+]CCS2)C1 143658997 344021154 /nfs/dbraw/zinc/02/11/54/344021154.db2.gz ZIRBFTJFVBBISY-SECBINFHSA-N 1 3 186.324 0.787 10 0 ACAEHO CC[N@@H+]1CC[C@H](C)[C@@H](N)C1 144687275 344028408 /nfs/dbraw/zinc/02/84/08/344028408.db2.gz MUHBXUINLBIRNY-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@H](C)[C@@H](N)C1 144687275 344028409 /nfs/dbraw/zinc/02/84/09/344028409.db2.gz MUHBXUINLBIRNY-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 144687070 344028492 /nfs/dbraw/zinc/02/84/92/344028492.db2.gz MUHBXUINLBIRNY-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@@H](C)[C@@H](N)C1 144687070 344028494 /nfs/dbraw/zinc/02/84/94/344028494.db2.gz MUHBXUINLBIRNY-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO COC[C@@H]1CCC[N@@H+]1C1CCNCC1 145440045 344033456 /nfs/dbraw/zinc/03/34/56/344033456.db2.gz TWNHCPORGXRZIK-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO COC[C@@H]1CCC[N@H+]1C1CCNCC1 145440045 344033458 /nfs/dbraw/zinc/03/34/58/344033458.db2.gz TWNHCPORGXRZIK-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO COC[C@@H]1CCCN1C1CC[NH2+]CC1 145440045 344033461 /nfs/dbraw/zinc/03/34/61/344033461.db2.gz TWNHCPORGXRZIK-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO COC[C@H]1CCC[N@@H+]1C1CCNCC1 145440230 344033611 /nfs/dbraw/zinc/03/36/11/344033611.db2.gz TWNHCPORGXRZIK-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO COC[C@H]1CCC[N@H+]1C1CCNCC1 145440230 344033614 /nfs/dbraw/zinc/03/36/14/344033614.db2.gz TWNHCPORGXRZIK-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO COC[C@H]1CCCN1C1CC[NH2+]CC1 145440230 344033618 /nfs/dbraw/zinc/03/36/18/344033618.db2.gz TWNHCPORGXRZIK-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)(C)[NH2+]CC1CNC1 145915737 344037223 /nfs/dbraw/zinc/03/72/23/344037223.db2.gz JHWGBQPPMCZBRS-UHFFFAOYSA-N 1 3 142.246 0.594 10 0 ACAEHO [NH3+]CCCN1CCN2CCCC[C@@H]2C1 146275367 344040065 /nfs/dbraw/zinc/04/00/65/344040065.db2.gz MXUFSGIONHSAME-LLVKDONJSA-N 1 3 197.326 0.505 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@H]1CN 147250960 344043769 /nfs/dbraw/zinc/04/37/69/344043769.db2.gz PDSAEJNMTLMYNJ-RNFRBKRXSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]([NH3+])[C@H](C)CN1CCC1 148369001 344053618 /nfs/dbraw/zinc/05/36/18/344053618.db2.gz ZBZYIUYOUYTFGP-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H](CN1CCC1)[C@@H](C)[NH3+] 148368561 344053685 /nfs/dbraw/zinc/05/36/85/344053685.db2.gz ZBZYIUYOUYTFGP-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN1CCC1 148369227 344053694 /nfs/dbraw/zinc/05/36/94/344053694.db2.gz ZBZYIUYOUYTFGP-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN1CCC1 148368777 344053824 /nfs/dbraw/zinc/05/38/24/344053824.db2.gz ZBZYIUYOUYTFGP-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@@H]1CN 148663240 344057063 /nfs/dbraw/zinc/05/70/63/344057063.db2.gz IHCFLCGOIQJTSJ-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@H]1CN 148662671 344057198 /nfs/dbraw/zinc/05/71/98/344057198.db2.gz IHCFLCGOIQJTSJ-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@@H]1CN 148663053 344057207 /nfs/dbraw/zinc/05/72/07/344057207.db2.gz IHCFLCGOIQJTSJ-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@H]1CN 148662847 344057290 /nfs/dbraw/zinc/05/72/90/344057290.db2.gz IHCFLCGOIQJTSJ-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO C[N@H+](CC1CNC1)C(C)(C)C 149372131 344064950 /nfs/dbraw/zinc/06/49/50/344064950.db2.gz WBUXJLWKGWDDRK-UHFFFAOYSA-N 1 3 156.273 0.936 10 0 ACAEHO C[N@@H+](CC1CNC1)C(C)(C)C 149372131 344064952 /nfs/dbraw/zinc/06/49/52/344064952.db2.gz WBUXJLWKGWDDRK-UHFFFAOYSA-N 1 3 156.273 0.936 10 0 ACAEHO CN(CC1C[NH2+]C1)C(C)(C)C 149372131 344064955 /nfs/dbraw/zinc/06/49/55/344064955.db2.gz WBUXJLWKGWDDRK-UHFFFAOYSA-N 1 3 156.273 0.936 10 0 ACAEHO CN1CCN(C)[C@H](C[C@H]([NH3+])C2CC2)C1 149427411 344065949 /nfs/dbraw/zinc/06/59/49/344065949.db2.gz BCDKOOLEARGUJB-MNOVXSKESA-N 1 3 197.326 0.360 10 0 ACAEHO CC(C)[C@@H]([NH3+])C[C@H]1CN(C)CCN1C 149466816 344066473 /nfs/dbraw/zinc/06/64/73/344066473.db2.gz IQNULZYNAOKKPP-QWRGUYRKSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H]([NH3+])C[C@H]1CN(C)CCN1C 149466622 344066621 /nfs/dbraw/zinc/06/66/21/344066621.db2.gz IQNULZYNAOKKPP-WDEREUQCSA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@@H]([NH3+])C[C@@H]1CN(C)CCN1C 149466439 344066628 /nfs/dbraw/zinc/06/66/28/344066628.db2.gz IQNULZYNAOKKPP-MNOVXSKESA-N 1 3 199.342 0.606 10 0 ACAEHO CC(C)[C@H]([NH3+])C[C@@H]1CN(C)CCN1C 149466244 344066832 /nfs/dbraw/zinc/06/68/32/344066832.db2.gz IQNULZYNAOKKPP-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO C[N@H+](CC1(N)CCOCC1)C1CC1 149766811 344070722 /nfs/dbraw/zinc/07/07/22/344070722.db2.gz SHIDDLNPOPCVAG-UHFFFAOYSA-N 1 3 184.283 0.589 10 0 ACAEHO C[N@@H+](CC1(N)CCOCC1)C1CC1 149766811 344070725 /nfs/dbraw/zinc/07/07/25/344070725.db2.gz SHIDDLNPOPCVAG-UHFFFAOYSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H]1CCCN1CC1([NH3+])CCOCC1 149777552 344070740 /nfs/dbraw/zinc/07/07/40/344070740.db2.gz DWWMIUFDOFSGOR-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1CCCN1CC1([NH3+])CCOCC1 149777335 344070837 /nfs/dbraw/zinc/07/08/37/344070837.db2.gz DWWMIUFDOFSGOR-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]C1(CNC2CCC2)CCOCC1 149799683 344071523 /nfs/dbraw/zinc/07/15/23/344071523.db2.gz YOWNSGHDXNVUDY-UHFFFAOYSA-N 1 3 184.283 0.636 10 0 ACAEHO CCNCC1([NH3+])CCOCC1 149781498 344071654 /nfs/dbraw/zinc/07/16/54/344071654.db2.gz VGCFFQJUXLNZNT-UHFFFAOYSA-N 1 3 158.245 0.104 10 0 ACAEHO [NH3+]C1(CNC2CC2)CCOCC1 149780642 344071677 /nfs/dbraw/zinc/07/16/77/344071677.db2.gz JORZMBQXBWLVPR-UHFFFAOYSA-N 1 3 170.256 0.246 10 0 ACAEHO CCNC(=[NH2+])C[C@H]1CN(C)CCN1C 149833024 344071973 /nfs/dbraw/zinc/07/19/73/344071973.db2.gz MRRAKVRISAYHQB-VIFPVBQESA-N 1 3 198.314 0.209 10 0 ACAEHO CCNC(=[NH2+])C[C@@H]1CN(C)CCN1C 149832817 344071984 /nfs/dbraw/zinc/07/19/84/344071984.db2.gz MRRAKVRISAYHQB-SECBINFHSA-N 1 3 198.314 0.209 10 0 ACAEHO NC[C@@H](F)Cc1c[nH+]ccc1N 156344493 344083311 /nfs/dbraw/zinc/08/33/11/344083311.db2.gz YVHMCAVOJWMXJL-ZETCQYMHSA-N 1 3 169.203 0.503 10 0 ACAEHO NC[C@H](F)Cc1c[nH+]ccc1N 156344609 344083458 /nfs/dbraw/zinc/08/34/58/344083458.db2.gz YVHMCAVOJWMXJL-SSDOTTSWSA-N 1 3 169.203 0.503 10 0 ACAEHO CC[NH2+][C@@H](C)[C@]1(F)CCNC1 156418733 344085884 /nfs/dbraw/zinc/08/58/84/344085884.db2.gz PKPQPYVATMHHRV-YUMQZZPRSA-N 1 3 160.236 0.686 10 0 ACAEHO F[C@]1([C@@H]2CCCN2)CC[NH2+]C1 156418605 344085939 /nfs/dbraw/zinc/08/59/39/344085939.db2.gz MIUSQWYCBWEXSM-JGVFFNPUSA-N 1 3 158.220 0.440 10 0 ACAEHO CC[NH2+][C@@H](C)[C@@]1(F)CCNC1 156418967 344085976 /nfs/dbraw/zinc/08/59/76/344085976.db2.gz PKPQPYVATMHHRV-JGVFFNPUSA-N 1 3 160.236 0.686 10 0 ACAEHO C[C@H](CCN)[N@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 156421455 344086002 /nfs/dbraw/zinc/08/60/02/344086002.db2.gz LLJGDXBXTUZCMK-YTWAJWBKSA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](CCN)[N@@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 156421455 344086005 /nfs/dbraw/zinc/08/60/05/344086005.db2.gz LLJGDXBXTUZCMK-YTWAJWBKSA-N 1 3 198.310 0.426 10 0 ACAEHO F[C@]1([C@H]2CCCN2)CC[NH2+]C1 156418469 344086150 /nfs/dbraw/zinc/08/61/50/344086150.db2.gz MIUSQWYCBWEXSM-HTQZYQBOSA-N 1 3 158.220 0.440 10 0 ACAEHO F[C@@]1([C@H]2CCCN2)CC[NH2+]C1 156418212 344086210 /nfs/dbraw/zinc/08/62/10/344086210.db2.gz MIUSQWYCBWEXSM-SFYZADRCSA-N 1 3 158.220 0.440 10 0 ACAEHO CC[NH2+][C@H](C)[C@@]1(F)CCNC1 156419097 344086287 /nfs/dbraw/zinc/08/62/87/344086287.db2.gz PKPQPYVATMHHRV-HTQZYQBOSA-N 1 3 160.236 0.686 10 0 ACAEHO F[C@@]1([C@@H]2CCCN2)CC[NH2+]C1 156418341 344086361 /nfs/dbraw/zinc/08/63/61/344086361.db2.gz MIUSQWYCBWEXSM-YUMQZZPRSA-N 1 3 158.220 0.440 10 0 ACAEHO CC[NH2+][C@H](C)[C@]1(F)CCNC1 156418850 344086385 /nfs/dbraw/zinc/08/63/85/344086385.db2.gz PKPQPYVATMHHRV-SFYZADRCSA-N 1 3 160.236 0.686 10 0 ACAEHO C[C@@H]1C[C@@](O)([C@@H]2CCC[NH2+]2)CCN1C 156709431 344093882 /nfs/dbraw/zinc/09/38/82/344093882.db2.gz SWGQGWPZRWCZAZ-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO CN[C@]1(CO)CC[N@@H+]2CCC[C@@H]2C1 156964970 344098145 /nfs/dbraw/zinc/09/81/45/344098145.db2.gz NYYYFUXXMNAJTP-NXEZZACHSA-N 1 3 184.283 0.195 10 0 ACAEHO CN[C@]1(CO)CC[N@H+]2CCC[C@@H]2C1 156964970 344098147 /nfs/dbraw/zinc/09/81/47/344098147.db2.gz NYYYFUXXMNAJTP-NXEZZACHSA-N 1 3 184.283 0.195 10 0 ACAEHO CN[C@@]1(CO)CC[N@@H+]2CCC[C@@H]2C1 156965118 344098193 /nfs/dbraw/zinc/09/81/93/344098193.db2.gz NYYYFUXXMNAJTP-ZJUUUORDSA-N 1 3 184.283 0.195 10 0 ACAEHO CN[C@@]1(CO)CC[N@H+]2CCC[C@@H]2C1 156965118 344098195 /nfs/dbraw/zinc/09/81/95/344098195.db2.gz NYYYFUXXMNAJTP-ZJUUUORDSA-N 1 3 184.283 0.195 10 0 ACAEHO CC[NH2+][C@]1(CO)CCN2CCC[C@@H]2C1 156963121 344098403 /nfs/dbraw/zinc/09/84/03/344098403.db2.gz SAWYLOJQYFPDIZ-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CCN[C@]1(CO)CC[N@@H+]2CCC[C@@H]2C1 156963121 344098398 /nfs/dbraw/zinc/09/83/98/344098398.db2.gz SAWYLOJQYFPDIZ-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CCN[C@]1(CO)CC[N@H+]2CCC[C@@H]2C1 156963121 344098400 /nfs/dbraw/zinc/09/84/00/344098400.db2.gz SAWYLOJQYFPDIZ-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO COCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 157213712 344101588 /nfs/dbraw/zinc/10/15/88/344101588.db2.gz DXUWDJKTBQQMMI-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO COCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 157213861 344101647 /nfs/dbraw/zinc/10/16/47/344101647.db2.gz DXUWDJKTBQQMMI-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO C[C@@H](O)CN[C@H]1CCC[NH2+]CC1 157403466 344105685 /nfs/dbraw/zinc/10/56/85/344105685.db2.gz BALDTHBVNGGXRY-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@@H](O)CN[C@@H]1CCC[NH2+]CC1 157403165 344105877 /nfs/dbraw/zinc/10/58/77/344105877.db2.gz BALDTHBVNGGXRY-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@]1(O)CCCN(CCC(N)=[NH2+])C1 157440778 344107295 /nfs/dbraw/zinc/10/72/95/344107295.db2.gz PUQMLERROXXHJN-VIFPVBQESA-N 1 3 185.271 0.159 10 0 ACAEHO C[C@@]1(O)CCCN(CCC(N)=[NH2+])C1 157440939 344107551 /nfs/dbraw/zinc/10/75/51/344107551.db2.gz PUQMLERROXXHJN-SECBINFHSA-N 1 3 185.271 0.159 10 0 ACAEHO C[C@@]1(O)CCCN(C2CC([NH3+])C2)C1 157543447 344108824 /nfs/dbraw/zinc/10/88/24/344108824.db2.gz ZWUPAQPBJNKDIY-UDNWOFFPSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(O)CCCN(C2CC([NH3+])C2)C1 157543293 344108975 /nfs/dbraw/zinc/10/89/75/344108975.db2.gz ZWUPAQPBJNKDIY-RTBKNWGFSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(O)CCC[N@@H+](C2CCNCC2)C1 157544657 344109030 /nfs/dbraw/zinc/10/90/30/344109030.db2.gz LTFRKFDJEOXIOF-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@]1(O)CCC[N@H+](C2CCNCC2)C1 157544657 344109033 /nfs/dbraw/zinc/10/90/33/344109033.db2.gz LTFRKFDJEOXIOF-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@]1(O)CCCN(C2CC[NH2+]CC2)C1 157544657 344109035 /nfs/dbraw/zinc/10/90/35/344109035.db2.gz LTFRKFDJEOXIOF-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@]1(O)CCC[N@@H+](C2CCNCC2)C1 157544803 344109163 /nfs/dbraw/zinc/10/91/63/344109163.db2.gz LTFRKFDJEOXIOF-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@]1(O)CCC[N@H+](C2CCNCC2)C1 157544803 344109166 /nfs/dbraw/zinc/10/91/66/344109166.db2.gz LTFRKFDJEOXIOF-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@@]1(O)CCCN(C2CC[NH2+]CC2)C1 157544803 344109167 /nfs/dbraw/zinc/10/91/67/344109167.db2.gz LTFRKFDJEOXIOF-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@H]1CC[N@@H+](C2CCNCC2)C1 157588682 344110196 /nfs/dbraw/zinc/11/01/96/344110196.db2.gz ATDIJOOJEXDMHJ-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO OC[C@H]1CC[N@H+](C2CCNCC2)C1 157588682 344110199 /nfs/dbraw/zinc/11/01/99/344110199.db2.gz ATDIJOOJEXDMHJ-VIFPVBQESA-N 1 3 184.283 0.053 10 0 ACAEHO OC[C@@H]1CC[N@@H+](C2CCNCC2)C1 157588831 344110310 /nfs/dbraw/zinc/11/03/10/344110310.db2.gz ATDIJOOJEXDMHJ-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO OC[C@@H]1CC[N@H+](C2CCNCC2)C1 157588831 344110312 /nfs/dbraw/zinc/11/03/12/344110312.db2.gz ATDIJOOJEXDMHJ-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO OC[C@@H]1CCN(C2CC[NH2+]CC2)C1 157588831 344110315 /nfs/dbraw/zinc/11/03/15/344110315.db2.gz ATDIJOOJEXDMHJ-SECBINFHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1C[C@@H](C)CN1[C@]1(C[NH3+])CCOC1 157699561 344111730 /nfs/dbraw/zinc/11/17/30/344111730.db2.gz QJRPLCLOWOAJMP-VWYCJHECSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H](C)N([C@]2(C[NH3+])CCOC2)C1 157699837 344111975 /nfs/dbraw/zinc/11/19/75/344111975.db2.gz QJRPLCLOWOAJMP-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1C[C@H](C)[N@H+](CC2CNC2)C1 157969800 344116618 /nfs/dbraw/zinc/11/66/18/344116618.db2.gz CHVKZMRKGPFWDW-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[C@H](C)[N@@H+](CC2CNC2)C1 157969800 344116620 /nfs/dbraw/zinc/11/66/20/344116620.db2.gz CHVKZMRKGPFWDW-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[C@@H](C)C[N@H+]1CC1CNC1 157969660 344116860 /nfs/dbraw/zinc/11/68/60/344116860.db2.gz CHVKZMRKGPFWDW-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[C@@H](C)C[N@@H+]1CC1CNC1 157969660 344116861 /nfs/dbraw/zinc/11/68/61/344116861.db2.gz CHVKZMRKGPFWDW-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO CCNC(=[NH2+])N[C@H]1CCN(C)[C@H](C)C1 158216331 344121841 /nfs/dbraw/zinc/12/18/41/344121841.db2.gz DTDUZNQHOWCDIB-BDAKNGLRSA-N 1 3 198.314 0.603 10 0 ACAEHO CCNC(=[NH2+])N[C@@H]1CCN(C)[C@H](C)C1 158216157 344121854 /nfs/dbraw/zinc/12/18/54/344121854.db2.gz DTDUZNQHOWCDIB-RKDXNWHRSA-N 1 3 198.314 0.603 10 0 ACAEHO CNC(=[NH2+])N[C@@H]1CCN(C)[C@H](C)C1 158217687 344121923 /nfs/dbraw/zinc/12/19/23/344121923.db2.gz DMGVBYYOSZFEMK-HTQZYQBOSA-N 1 3 184.287 0.213 10 0 ACAEHO CNC(=[NH2+])N[C@@H]1CCN(C)[C@@H](C)C1 158217844 344122075 /nfs/dbraw/zinc/12/20/75/344122075.db2.gz DMGVBYYOSZFEMK-JGVFFNPUSA-N 1 3 184.287 0.213 10 0 ACAEHO CC[C@H]1CN(C[C@H](C)[NH3+])CCN1C 158483367 344127641 /nfs/dbraw/zinc/12/76/41/344127641.db2.gz RWFMLPZSEVYFGU-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([NH2+]C1CCNCC1)[C@H]1CCOC1 158491863 344127725 /nfs/dbraw/zinc/12/77/25/344127725.db2.gz OIDFNIZRCODNKJ-ZJUUUORDSA-N 1 3 198.310 0.753 10 0 ACAEHO CC[C@@H]1CN(C[C@H](C)[NH3+])CCN1C 158483252 344127753 /nfs/dbraw/zinc/12/77/53/344127753.db2.gz RWFMLPZSEVYFGU-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([NH2+]C1CC(N)C1)[C@H]1CCOC1 158503225 344128339 /nfs/dbraw/zinc/12/83/39/344128339.db2.gz HXTNFBYLZCYGHO-XHHQTKHESA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H](NC1CC([NH3+])C1)[C@H]1CCOC1 158503225 344128341 /nfs/dbraw/zinc/12/83/41/344128341.db2.gz HXTNFBYLZCYGHO-XHHQTKHESA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]([NH2+]C1CC(N)C1)[C@H]1CCOC1 158503082 344128392 /nfs/dbraw/zinc/12/83/92/344128392.db2.gz HXTNFBYLZCYGHO-DKEVHCRPSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H](NC1CC([NH3+])C1)[C@H]1CCOC1 158503082 344128394 /nfs/dbraw/zinc/12/83/94/344128394.db2.gz HXTNFBYLZCYGHO-DKEVHCRPSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]([NH2+]C1CC(N)C1)[C@@H]1CCOC1 158502950 344128457 /nfs/dbraw/zinc/12/84/57/344128457.db2.gz HXTNFBYLZCYGHO-LGUIWLBCSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H](NC1CC([NH3+])C1)[C@@H]1CCOC1 158502950 344128459 /nfs/dbraw/zinc/12/84/59/344128459.db2.gz HXTNFBYLZCYGHO-LGUIWLBCSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]([NH2+]C1CC(N)C1)[C@@H]1CCOC1 158502814 344128509 /nfs/dbraw/zinc/12/85/09/344128509.db2.gz HXTNFBYLZCYGHO-AFWXGSBKSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H](NC1CC([NH3+])C1)[C@@H]1CCOC1 158502814 344128512 /nfs/dbraw/zinc/12/85/12/344128512.db2.gz HXTNFBYLZCYGHO-AFWXGSBKSA-N 1 3 184.283 0.491 10 0 ACAEHO CC(C)OCC[NH2+]C1CCNCC1 158931693 344135519 /nfs/dbraw/zinc/13/55/19/344135519.db2.gz OEYAKWBQWWTEJA-UHFFFAOYSA-N 1 3 186.299 0.753 10 0 ACAEHO COC(C)(C)C[N@@H+]1CCC[C@@H](N)C1 159377382 344143379 /nfs/dbraw/zinc/14/33/79/344143379.db2.gz ZRJYOXZEHDGTPB-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO COC(C)(C)C[N@H+]1CCC[C@@H](N)C1 159377382 344143381 /nfs/dbraw/zinc/14/33/81/344143381.db2.gz ZRJYOXZEHDGTPB-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](O)[C@H]1CCN(C2CC([NH3+])C2)C1 159491986 344146224 /nfs/dbraw/zinc/14/62/24/344146224.db2.gz QRSPOHZKYPLDRL-DKEVHCRPSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](O)[C@H]1CC[N@@H+](C2CC(N)C2)C1 159491986 344146226 /nfs/dbraw/zinc/14/62/26/344146226.db2.gz QRSPOHZKYPLDRL-DKEVHCRPSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](O)[C@H]1CC[N@H+](C2CC(N)C2)C1 159491986 344146227 /nfs/dbraw/zinc/14/62/27/344146227.db2.gz QRSPOHZKYPLDRL-DKEVHCRPSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)[C@H]1CCN(C2CC([NH3+])C2)C1 159492134 344146283 /nfs/dbraw/zinc/14/62/83/344146283.db2.gz QRSPOHZKYPLDRL-XHHQTKHESA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)[C@H]1CC[N@@H+](C2CC(N)C2)C1 159492134 344146285 /nfs/dbraw/zinc/14/62/85/344146285.db2.gz QRSPOHZKYPLDRL-XHHQTKHESA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)[C@H]1CC[N@H+](C2CC(N)C2)C1 159492134 344146286 /nfs/dbraw/zinc/14/62/86/344146286.db2.gz QRSPOHZKYPLDRL-XHHQTKHESA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](O)[C@@H]1CCN(C2CC([NH3+])C2)C1 159491713 344146452 /nfs/dbraw/zinc/14/64/52/344146452.db2.gz QRSPOHZKYPLDRL-AFWXGSBKSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](O)[C@@H]1CC[N@@H+](C2CC(N)C2)C1 159491713 344146454 /nfs/dbraw/zinc/14/64/54/344146454.db2.gz QRSPOHZKYPLDRL-AFWXGSBKSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](O)[C@@H]1CC[N@H+](C2CC(N)C2)C1 159491713 344146455 /nfs/dbraw/zinc/14/64/55/344146455.db2.gz QRSPOHZKYPLDRL-AFWXGSBKSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)[C@@H]1CCN(C2CC([NH3+])C2)C1 159491850 344146462 /nfs/dbraw/zinc/14/64/62/344146462.db2.gz QRSPOHZKYPLDRL-LGUIWLBCSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)[C@@H]1CC[N@@H+](C2CC(N)C2)C1 159491850 344146463 /nfs/dbraw/zinc/14/64/63/344146463.db2.gz QRSPOHZKYPLDRL-LGUIWLBCSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)[C@@H]1CC[N@H+](C2CC(N)C2)C1 159491850 344146465 /nfs/dbraw/zinc/14/64/65/344146465.db2.gz QRSPOHZKYPLDRL-LGUIWLBCSA-N 1 3 184.283 0.179 10 0 ACAEHO C1=CCN(CC2=CC[NH2+]CC2)C1 160525208 344168440 /nfs/dbraw/zinc/16/84/40/344168440.db2.gz KUZGGFYVJNZGBS-UHFFFAOYSA-N 1 3 164.252 0.778 10 0 ACAEHO CC1CN(CC2=CC[NH2+]CC2)C1 160524493 344168593 /nfs/dbraw/zinc/16/85/93/344168593.db2.gz URXQEUTXPUXEHD-UHFFFAOYSA-N 1 3 166.268 0.858 10 0 ACAEHO C1C[NH2+]CC[C@@H](NC[C@H]2CCCO2)C1 160658728 344173050 /nfs/dbraw/zinc/17/30/50/344173050.db2.gz PGJBBJUIRSXQBH-WDEREUQCSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CNCC[C@@H]([NH2+]C2CCOCC2)C1 160665655 344173089 /nfs/dbraw/zinc/17/30/89/344173089.db2.gz JBMDETONZVLCBU-JTQLQIEISA-N 1 3 198.310 0.897 10 0 ACAEHO C1CNCC[C@H]([NH2+]C2CCOCC2)C1 160665809 344173095 /nfs/dbraw/zinc/17/30/95/344173095.db2.gz JBMDETONZVLCBU-SNVBAGLBSA-N 1 3 198.310 0.897 10 0 ACAEHO C1C[NH2+]CC[C@H](NC[C@H]2CCCO2)C1 160658842 344173117 /nfs/dbraw/zinc/17/31/17/344173117.db2.gz PGJBBJUIRSXQBH-GHMZBOCLSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CO[C@H](CN[C@@H]2CCC[NH2+]CC2)C1 160658621 344173189 /nfs/dbraw/zinc/17/31/89/344173189.db2.gz PGJBBJUIRSXQBH-MNOVXSKESA-N 1 3 198.310 0.897 10 0 ACAEHO C1CNCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 160668260 344173274 /nfs/dbraw/zinc/17/32/74/344173274.db2.gz UYHICWKFNZDBTR-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C1C[NH2+]CC[C@@H](NC[C@@H]2CCCO2)C1 160658503 344173371 /nfs/dbraw/zinc/17/33/71/344173371.db2.gz PGJBBJUIRSXQBH-QWRGUYRKSA-N 1 3 198.310 0.897 10 0 ACAEHO C1CNCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 160668375 344173428 /nfs/dbraw/zinc/17/34/28/344173428.db2.gz UYHICWKFNZDBTR-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNCC[C@H]([NH2+]C[C@H]2CCOC2)C1 160668647 344173459 /nfs/dbraw/zinc/17/34/59/344173459.db2.gz UYHICWKFNZDBTR-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 160668517 344173463 /nfs/dbraw/zinc/17/34/63/344173463.db2.gz UYHICWKFNZDBTR-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO C1C[NH2+]CC[C@H](N[C@@H]2CCCOC2)C1 160680906 344173599 /nfs/dbraw/zinc/17/35/99/344173599.db2.gz OSJMBOCYYGIDHQ-GHMZBOCLSA-N 1 3 198.310 0.897 10 0 ACAEHO OC1CC(N[C@@H]2CCC[NH2+]CC2)C1 160688596 344173626 /nfs/dbraw/zinc/17/36/26/344173626.db2.gz IMFSATZLNBFOLZ-XNWIYYODSA-N 1 3 184.283 0.241 10 0 ACAEHO C1C[NH2+]CC[C@@H](N[C@@H]2CCCOC2)C1 160680792 344173771 /nfs/dbraw/zinc/17/37/71/344173771.db2.gz OSJMBOCYYGIDHQ-WDEREUQCSA-N 1 3 198.310 0.897 10 0 ACAEHO C1COC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 160681140 344173803 /nfs/dbraw/zinc/17/38/03/344173803.db2.gz OSJMBOCYYGIDHQ-MNOVXSKESA-N 1 3 198.310 0.897 10 0 ACAEHO OC1CC(C[NH2+][C@H]2CCCNCC2)C1 160688742 344173810 /nfs/dbraw/zinc/17/38/10/344173810.db2.gz NACKTCIRUPTVPR-YVNMAJEFSA-N 1 3 198.310 0.489 10 0 ACAEHO C1C[NH2+]CC[C@@H](N[C@H]2CCCOC2)C1 160681014 344173861 /nfs/dbraw/zinc/17/38/61/344173861.db2.gz OSJMBOCYYGIDHQ-QWRGUYRKSA-N 1 3 198.310 0.897 10 0 ACAEHO OC1CC(C[NH2+][C@@H]2CCCNCC2)C1 160688875 344174026 /nfs/dbraw/zinc/17/40/26/344174026.db2.gz NACKTCIRUPTVPR-HSOILSAZSA-N 1 3 198.310 0.489 10 0 ACAEHO OC1CC(N[C@H]2CCC[NH2+]CC2)C1 160688461 344174047 /nfs/dbraw/zinc/17/40/47/344174047.db2.gz IMFSATZLNBFOLZ-IDKOKCKLSA-N 1 3 184.283 0.241 10 0 ACAEHO CC1(C[NH2+][C@@H]2CCCNCC2)COC1 160691956 344174329 /nfs/dbraw/zinc/17/43/29/344174329.db2.gz VAHQNAZKXDSGEY-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO CC1(CN[C@@H]2CCC[NH2+]CC2)COC1 160691956 344174331 /nfs/dbraw/zinc/17/43/31/344174331.db2.gz VAHQNAZKXDSGEY-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO C1C[NH2+]CC[C@H](N[C@@H]2CCOC2)C1 160693393 344174429 /nfs/dbraw/zinc/17/44/29/344174429.db2.gz SZQSKLJRSZFHAR-NXEZZACHSA-N 1 3 184.283 0.507 10 0 ACAEHO CC1(C[NH2+][C@H]2CCCNCC2)COC1 160692089 344174531 /nfs/dbraw/zinc/17/45/31/344174531.db2.gz VAHQNAZKXDSGEY-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO CC1(CN[C@H]2CCC[NH2+]CC2)COC1 160692089 344174534 /nfs/dbraw/zinc/17/45/34/344174534.db2.gz VAHQNAZKXDSGEY-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 160718007 344175404 /nfs/dbraw/zinc/17/54/04/344175404.db2.gz STFXNAFIUJTAMA-VHSXEESVSA-N 1 3 186.299 0.441 10 0 ACAEHO O[C@H]1CCCN([C@@H]2CCC[NH2+]CC2)C1 160715633 344175430 /nfs/dbraw/zinc/17/54/30/344175430.db2.gz ARNPOJJVEWFGMV-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@H]1CCCN([C@H]2CCC[NH2+]CC2)C1 160715515 344175439 /nfs/dbraw/zinc/17/54/39/344175439.db2.gz ARNPOJJVEWFGMV-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@H]1CC[N@@H+]([C@H]2CCCNCC2)C1 160719144 344175542 /nfs/dbraw/zinc/17/55/42/344175542.db2.gz RYOKMZBCIMUKQD-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@H]1CC[N@H+]([C@H]2CCCNCC2)C1 160719144 344175546 /nfs/dbraw/zinc/17/55/46/344175546.db2.gz RYOKMZBCIMUKQD-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@H]1CCN([C@H]2CCC[NH2+]CC2)C1 160719144 344175547 /nfs/dbraw/zinc/17/55/47/344175547.db2.gz RYOKMZBCIMUKQD-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO O[C@H]1CCN([C@@H]2CCC[NH2+]CC2)C1 160718412 344175637 /nfs/dbraw/zinc/17/56/37/344175637.db2.gz CJNSKCJCTDBSRP-ZJUUUORDSA-N 1 3 184.283 0.195 10 0 ACAEHO C[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 160718125 344175652 /nfs/dbraw/zinc/17/56/52/344175652.db2.gz STFXNAFIUJTAMA-NXEZZACHSA-N 1 3 186.299 0.441 10 0 ACAEHO OC[C@H]1CC[N@@H+]([C@@H]2CCCNCC2)C1 160719254 344175665 /nfs/dbraw/zinc/17/56/65/344175665.db2.gz RYOKMZBCIMUKQD-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@H]1CC[N@H+]([C@@H]2CCCNCC2)C1 160719254 344175666 /nfs/dbraw/zinc/17/56/66/344175666.db2.gz RYOKMZBCIMUKQD-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@H]1CCN([C@@H]2CCC[NH2+]CC2)C1 160719254 344175667 /nfs/dbraw/zinc/17/56/67/344175667.db2.gz RYOKMZBCIMUKQD-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO O[C@H]1CCN([C@H]2CCC[NH2+]CC2)C1 160718271 344175674 /nfs/dbraw/zinc/17/56/74/344175674.db2.gz CJNSKCJCTDBSRP-UWVGGRQHSA-N 1 3 184.283 0.195 10 0 ACAEHO [NH3+]C[C@@H]1COCCN1c1ccncc1 161381320 344190382 /nfs/dbraw/zinc/19/03/82/344190382.db2.gz PQRGEMNZIMIYND-SNVBAGLBSA-N 1 3 193.250 0.246 10 0 ACAEHO CSCCN[C@@H](C)C[NH3+] 161995002 344202157 /nfs/dbraw/zinc/20/21/57/344202157.db2.gz UWAPSJXZUWZPEU-LURJTMIESA-N 1 3 148.275 0.286 10 0 ACAEHO CSCCN[C@H](C)C[NH3+] 161995115 344202228 /nfs/dbraw/zinc/20/22/28/344202228.db2.gz UWAPSJXZUWZPEU-ZCFIWIBFSA-N 1 3 148.275 0.286 10 0 ACAEHO [NH3+][C@@H]1CCN2CC[C@H]1C2 162734408 344213195 /nfs/dbraw/zinc/21/31/95/344213195.db2.gz WAZDINYOWZDPNW-NKWVEPMBSA-N 1 3 126.203 0.039 10 0 ACAEHO COC1CCC(N)(C[NH3+])CC1 164283811 344240558 /nfs/dbraw/zinc/24/05/58/344240558.db2.gz DETSFFMYFADVEP-UHFFFAOYSA-N 1 3 158.245 0.232 10 0 ACAEHO CC1(C)CN(C/C=C/C[NH3+])C1 164563753 344246826 /nfs/dbraw/zinc/24/68/26/344246826.db2.gz CYBUTXOAMPIOAZ-ONEGZZNKSA-N 1 3 154.257 0.843 10 0 ACAEHO [NH3+]C/C=C/CN1CC=CC1 164556395 344246728 /nfs/dbraw/zinc/24/67/28/344246728.db2.gz RWTJOBIVEBXAFB-OWOJBTEDSA-N 1 3 138.214 0.373 10 0 ACAEHO C[C@H]1CCN1C/C=C/C[NH3+] 164559600 344246868 /nfs/dbraw/zinc/24/68/68/344246868.db2.gz VIEYTQFMMPUYGJ-SGJFDWMWSA-N 1 3 140.230 0.596 10 0 ACAEHO [NH3+]C/C=C/CN1CC2(CC2)C1 164562197 344246906 /nfs/dbraw/zinc/24/69/06/344246906.db2.gz BMHWGGDKFKQWPE-OWOJBTEDSA-N 1 3 152.241 0.597 10 0 ACAEHO C[C@@H]1CCN1C/C=C/C[NH3+] 164559489 344246950 /nfs/dbraw/zinc/24/69/50/344246950.db2.gz VIEYTQFMMPUYGJ-UFUPEUMYSA-N 1 3 140.230 0.596 10 0 ACAEHO CC1CN(C/C=C/C[NH3+])C1 164556934 344246955 /nfs/dbraw/zinc/24/69/55/344246955.db2.gz UMPAQEDQBOAOSK-NSCUHMNNSA-N 1 3 140.230 0.453 10 0 ACAEHO NC[C@@H]1CNCC[N@@H+]1C1CCCCC1 164665739 344248855 /nfs/dbraw/zinc/24/88/55/344248855.db2.gz ABOLKHBHDAWFAV-LLVKDONJSA-N 1 3 197.326 0.552 10 0 ACAEHO NC[C@@H]1CNCC[N@H+]1C1CCCCC1 164665739 344248857 /nfs/dbraw/zinc/24/88/57/344248857.db2.gz ABOLKHBHDAWFAV-LLVKDONJSA-N 1 3 197.326 0.552 10 0 ACAEHO [NH3+]C[C@@H]1CNCCN1C1CCCCC1 164665739 344248858 /nfs/dbraw/zinc/24/88/58/344248858.db2.gz ABOLKHBHDAWFAV-LLVKDONJSA-N 1 3 197.326 0.552 10 0 ACAEHO C[C@H]([NH3+])CCN1CC=CCC1 166121161 344275052 /nfs/dbraw/zinc/27/50/52/344275052.db2.gz NPBFGTKHWYBHHB-VIFPVBQESA-N 1 3 154.257 0.986 10 0 ACAEHO NC[C@H]1CNCC[N@@H+]1C1CCCCC1 164665618 344248940 /nfs/dbraw/zinc/24/89/40/344248940.db2.gz ABOLKHBHDAWFAV-NSHDSACASA-N 1 3 197.326 0.552 10 0 ACAEHO NC[C@H]1CNCC[N@H+]1C1CCCCC1 164665618 344248942 /nfs/dbraw/zinc/24/89/42/344248942.db2.gz ABOLKHBHDAWFAV-NSHDSACASA-N 1 3 197.326 0.552 10 0 ACAEHO [NH3+]C[C@H]1CNCCN1C1CCCCC1 164665618 344248944 /nfs/dbraw/zinc/24/89/44/344248944.db2.gz ABOLKHBHDAWFAV-NSHDSACASA-N 1 3 197.326 0.552 10 0 ACAEHO [NH3+]C[C@@H]1CNCCN1C1CCCC1 164656061 344249014 /nfs/dbraw/zinc/24/90/14/344249014.db2.gz LWTPAEKMSWYTKY-SNVBAGLBSA-N 1 3 183.299 0.162 10 0 ACAEHO NC[C@@H]1CNCC[N@@H+]1C1CCCC1 164656061 344249015 /nfs/dbraw/zinc/24/90/15/344249015.db2.gz LWTPAEKMSWYTKY-SNVBAGLBSA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]C[C@H]1CNCCN1C1CCCC1 164655932 344249028 /nfs/dbraw/zinc/24/90/28/344249028.db2.gz LWTPAEKMSWYTKY-JTQLQIEISA-N 1 3 183.299 0.162 10 0 ACAEHO NC[C@H]1CNCC[N@@H+]1C1CCCC1 164655932 344249030 /nfs/dbraw/zinc/24/90/30/344249030.db2.gz LWTPAEKMSWYTKY-JTQLQIEISA-N 1 3 183.299 0.162 10 0 ACAEHO NC[C@H]1CNCC[N@H+]1C1CCCC1 164655932 344249033 /nfs/dbraw/zinc/24/90/33/344249033.db2.gz LWTPAEKMSWYTKY-JTQLQIEISA-N 1 3 183.299 0.162 10 0 ACAEHO [NH3+]C[C@@H]1CNCCN1CC1CCC1 164665973 344249147 /nfs/dbraw/zinc/24/91/47/344249147.db2.gz MXIRIRGEQZBECK-SNVBAGLBSA-N 1 3 183.299 0.019 10 0 ACAEHO NC[C@@H]1CNCC[N@@H+]1CC1CCC1 164665973 344249148 /nfs/dbraw/zinc/24/91/48/344249148.db2.gz MXIRIRGEQZBECK-SNVBAGLBSA-N 1 3 183.299 0.019 10 0 ACAEHO [NH3+]C[C@H]1CNCCN1CC1CCC1 164665866 344249201 /nfs/dbraw/zinc/24/92/01/344249201.db2.gz MXIRIRGEQZBECK-JTQLQIEISA-N 1 3 183.299 0.019 10 0 ACAEHO NC[C@H]1CNCC[N@@H+]1CC1CCC1 164665866 344249204 /nfs/dbraw/zinc/24/92/04/344249204.db2.gz MXIRIRGEQZBECK-JTQLQIEISA-N 1 3 183.299 0.019 10 0 ACAEHO NC[C@H]1CNCC[N@H+]1CC1CCC1 164665866 344249207 /nfs/dbraw/zinc/24/92/07/344249207.db2.gz MXIRIRGEQZBECK-JTQLQIEISA-N 1 3 183.299 0.019 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@H]1CN 164673296 344249566 /nfs/dbraw/zinc/24/95/66/344249566.db2.gz IECGRFFSFSQNMZ-RNFRBKRXSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]1CCNC[C@H]1C[NH3+] 164673296 344249569 /nfs/dbraw/zinc/24/95/69/344249569.db2.gz IECGRFFSFSQNMZ-RNFRBKRXSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@@H]1CN 164673076 344249621 /nfs/dbraw/zinc/24/96/21/344249621.db2.gz IECGRFFSFSQNMZ-RQJHMYQMSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@@H]1CCNC[C@@H]1C[NH3+] 164673076 344249624 /nfs/dbraw/zinc/24/96/24/344249624.db2.gz IECGRFFSFSQNMZ-RQJHMYQMSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@H]1CC[NH2+]C[C@@H]1CN 164673183 344249647 /nfs/dbraw/zinc/24/96/47/344249647.db2.gz IECGRFFSFSQNMZ-BQBZGAKWSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@H]1CCNC[C@@H]1C[NH3+] 164673183 344249648 /nfs/dbraw/zinc/24/96/48/344249648.db2.gz IECGRFFSFSQNMZ-BQBZGAKWSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@H]1CC[NH2+]C[C@H]1CN 164673402 344249723 /nfs/dbraw/zinc/24/97/23/344249723.db2.gz IECGRFFSFSQNMZ-NKWVEPMBSA-N 1 3 128.219 0.191 10 0 ACAEHO C[C@H]1CCNC[C@H]1C[NH3+] 164673402 344249726 /nfs/dbraw/zinc/24/97/26/344249726.db2.gz IECGRFFSFSQNMZ-NKWVEPMBSA-N 1 3 128.219 0.191 10 0 ACAEHO CC1CCN(CC2C[NH2+]C2)CC1 164934930 344254487 /nfs/dbraw/zinc/25/44/87/344254487.db2.gz DUPRYRJACTVRRN-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO CC1CC[NH+](CC2CNC2)CC1 164934930 344254491 /nfs/dbraw/zinc/25/44/91/344254491.db2.gz DUPRYRJACTVRRN-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN1CCN(C)CC1 164942007 344255096 /nfs/dbraw/zinc/25/50/96/344255096.db2.gz AOROTBGEIPRTMF-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1CCC[N@H+](CC2CNC2)C1 164945551 344255130 /nfs/dbraw/zinc/25/51/30/344255130.db2.gz SYNSDKCPWQUAFV-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]1CCC[N@@H+](CC2CNC2)C1 164945551 344255132 /nfs/dbraw/zinc/25/51/32/344255132.db2.gz SYNSDKCPWQUAFV-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]1CCCN(CC2C[NH2+]C2)C1 164945551 344255135 /nfs/dbraw/zinc/25/51/35/344255135.db2.gz SYNSDKCPWQUAFV-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN1CCN(C)CC1 164941874 344255237 /nfs/dbraw/zinc/25/52/37/344255237.db2.gz AOROTBGEIPRTMF-UWVGGRQHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]([NH3+])[C@H](C)CN1CCN(C)CC1 164941755 344255245 /nfs/dbraw/zinc/25/52/45/344255245.db2.gz AOROTBGEIPRTMF-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1CCC[N@H+](CC2CNC2)C1 164945448 344255326 /nfs/dbraw/zinc/25/53/26/344255326.db2.gz SYNSDKCPWQUAFV-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H]1CCC[N@@H+](CC2CNC2)C1 164945448 344255327 /nfs/dbraw/zinc/25/53/27/344255327.db2.gz SYNSDKCPWQUAFV-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H]1CCCN(CC2C[NH2+]C2)C1 164945448 344255329 /nfs/dbraw/zinc/25/53/29/344255329.db2.gz SYNSDKCPWQUAFV-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H](CN1CCN(C)CC1)[C@@H](C)[NH3+] 164941642 344255356 /nfs/dbraw/zinc/25/53/56/344255356.db2.gz AOROTBGEIPRTMF-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@H+](C)CC1CNC1 164979437 344256132 /nfs/dbraw/zinc/25/61/32/344256132.db2.gz ZJOJLTDTDFXCNC-UHFFFAOYSA-N 1 3 128.219 0.158 10 0 ACAEHO CCN(C)C[C@H](C)[C@@H](C)[NH3+] 164979656 344256115 /nfs/dbraw/zinc/25/61/15/344256115.db2.gz OLNIFTDVLLCOBZ-JGVFFNPUSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[N@@H+](C)CC1CNC1 164979437 344256136 /nfs/dbraw/zinc/25/61/36/344256136.db2.gz ZJOJLTDTDFXCNC-UHFFFAOYSA-N 1 3 128.219 0.158 10 0 ACAEHO CCN(C)C[C@@H](C)[C@@H](C)[NH3+] 164979559 344256166 /nfs/dbraw/zinc/25/61/66/344256166.db2.gz OLNIFTDVLLCOBZ-HTQZYQBOSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@@H]([NH3+])[C@H](C)CN1CCCN(C)CC1 164974713 344256349 /nfs/dbraw/zinc/25/63/49/344256349.db2.gz KZONLEQOYDDPIW-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]1CCC[N@@H+]1CC1CNC1 165033377 344257050 /nfs/dbraw/zinc/25/70/50/344257050.db2.gz JRRAKYGILWPLRW-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1CCC[N@H+]1CC1CNC1 165033377 344257053 /nfs/dbraw/zinc/25/70/53/344257053.db2.gz JRRAKYGILWPLRW-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1CCCN1CC1C[NH2+]C1 165033377 344257054 /nfs/dbraw/zinc/25/70/54/344257054.db2.gz JRRAKYGILWPLRW-QMMMGPOBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1CC1CNC1 165033257 344257247 /nfs/dbraw/zinc/25/72/47/344257247.db2.gz JRRAKYGILWPLRW-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1CCC[N@H+]1CC1CNC1 165033257 344257249 /nfs/dbraw/zinc/25/72/49/344257249.db2.gz JRRAKYGILWPLRW-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]1CCCN1CC1C[NH2+]C1 165033257 344257250 /nfs/dbraw/zinc/25/72/50/344257250.db2.gz JRRAKYGILWPLRW-MRVPVSSYSA-N 1 3 154.257 0.690 10 0 ACAEHO C1CCC([NH2+]CC2CNC2)C1 165047623 344257475 /nfs/dbraw/zinc/25/74/75/344257475.db2.gz GURYXRNESRLXJJ-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO C[NH2+]C[C@H](C)[C@@H](C)N 165049689 344257479 /nfs/dbraw/zinc/25/74/79/344257479.db2.gz VMZWEPKPUAKURR-NTSWFWBYSA-N 1 3 116.208 0.189 10 0 ACAEHO C[C@H]1CC[N@H+](CC2CNC2)C1 165060697 344257560 /nfs/dbraw/zinc/25/75/60/344257560.db2.gz HMMLEKFNEWSQDC-QMMMGPOBSA-N 1 3 154.257 0.548 10 0 ACAEHO C[C@H]1CC[N@@H+](CC2CNC2)C1 165060697 344257562 /nfs/dbraw/zinc/25/75/62/344257562.db2.gz HMMLEKFNEWSQDC-QMMMGPOBSA-N 1 3 154.257 0.548 10 0 ACAEHO C[C@H]1CCN(CC2C[NH2+]C2)C1 165060697 344257564 /nfs/dbraw/zinc/25/75/64/344257564.db2.gz HMMLEKFNEWSQDC-QMMMGPOBSA-N 1 3 154.257 0.548 10 0 ACAEHO C[NH2+]C[C@H](C)[C@H](C)N 165049928 344257594 /nfs/dbraw/zinc/25/75/94/344257594.db2.gz VMZWEPKPUAKURR-WDSKDSINSA-N 1 3 116.208 0.189 10 0 ACAEHO C[NH2+]C[C@@H](C)[C@@H](C)N 165049818 344257650 /nfs/dbraw/zinc/25/76/50/344257650.db2.gz VMZWEPKPUAKURR-PHDIDXHHSA-N 1 3 116.208 0.189 10 0 ACAEHO C[C@@H]1CC[N@H+](CC2CNC2)C1 165060579 344257686 /nfs/dbraw/zinc/25/76/86/344257686.db2.gz HMMLEKFNEWSQDC-MRVPVSSYSA-N 1 3 154.257 0.548 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC2CNC2)C1 165060579 344257687 /nfs/dbraw/zinc/25/76/87/344257687.db2.gz HMMLEKFNEWSQDC-MRVPVSSYSA-N 1 3 154.257 0.548 10 0 ACAEHO C[C@@H]1CCN(CC2C[NH2+]C2)C1 165060579 344257688 /nfs/dbraw/zinc/25/76/88/344257688.db2.gz HMMLEKFNEWSQDC-MRVPVSSYSA-N 1 3 154.257 0.548 10 0 ACAEHO C[NH2+]C[C@@H](C)[C@H](C)N 165050057 344257693 /nfs/dbraw/zinc/25/76/93/344257693.db2.gz VMZWEPKPUAKURR-RITPCOANSA-N 1 3 116.208 0.189 10 0 ACAEHO CC1(C)C[C@@H]1NCC1C[NH2+]C1 165170169 344259321 /nfs/dbraw/zinc/25/93/21/344259321.db2.gz BZSRXUKQAFBDGU-QMMMGPOBSA-N 1 3 154.257 0.594 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]CC1CNC1 165170169 344259323 /nfs/dbraw/zinc/25/93/23/344259323.db2.gz BZSRXUKQAFBDGU-QMMMGPOBSA-N 1 3 154.257 0.594 10 0 ACAEHO CC1(C)C[C@H]1NCC1C[NH2+]C1 165170289 344259418 /nfs/dbraw/zinc/25/94/18/344259418.db2.gz BZSRXUKQAFBDGU-MRVPVSSYSA-N 1 3 154.257 0.594 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]CC1CNC1 165170289 344259421 /nfs/dbraw/zinc/25/94/21/344259421.db2.gz BZSRXUKQAFBDGU-MRVPVSSYSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H](CN1CCCOCC1)[C@@H](C)[NH3+] 165192843 344259464 /nfs/dbraw/zinc/25/94/64/344259464.db2.gz NFBBUIFNCDUMNG-VHSXEESVSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@@H]([NH3+])[C@H](C)CN1CCCOCC1 165192963 344259499 /nfs/dbraw/zinc/25/94/99/344259499.db2.gz NFBBUIFNCDUMNG-NXEZZACHSA-N 1 3 186.299 0.692 10 0 ACAEHO CN1CCN(CC2C[NH2+]C2)CC1(C)C 165208858 344260108 /nfs/dbraw/zinc/26/01/08/344260108.db2.gz SWNJTHMTYMZZTH-UHFFFAOYSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@@H]1C[N@@H+](CC2CNC2)C[C@@H]1C 165242989 344260485 /nfs/dbraw/zinc/26/04/85/344260485.db2.gz HFJFDENTZIOBGA-DTORHVGOSA-N 1 3 168.284 0.794 10 0 ACAEHO C[C@@H]1C[N@H+](CC2CNC2)C[C@@H]1C 165242989 344260487 /nfs/dbraw/zinc/26/04/87/344260487.db2.gz HFJFDENTZIOBGA-DTORHVGOSA-N 1 3 168.284 0.794 10 0 ACAEHO C[C@@H]1C[NH+](CC2CNC2)C[C@H]1C 165243246 344260492 /nfs/dbraw/zinc/26/04/92/344260492.db2.gz HFJFDENTZIOBGA-RKDXNWHRSA-N 1 3 168.284 0.794 10 0 ACAEHO C[C@H]1C[NH+](CC2CNC2)C[C@@H]1C 165243130 344260568 /nfs/dbraw/zinc/26/05/68/344260568.db2.gz HFJFDENTZIOBGA-IUCAKERBSA-N 1 3 168.284 0.794 10 0 ACAEHO C1C[C@H]2C[NH+](CC3CNC3)C[C@@H]2C1 165264637 344260834 /nfs/dbraw/zinc/26/08/34/344260834.db2.gz NRFVDDPYVRQTAX-QWRGUYRKSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[C@@H]2C[NH+](CC3CNC3)C[C@H]2C1 165264777 344261039 /nfs/dbraw/zinc/26/10/39/344261039.db2.gz NRFVDDPYVRQTAX-GHMZBOCLSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C)CCN(CC2C[NH2+]C2)C1 165251448 344261081 /nfs/dbraw/zinc/26/10/81/344261081.db2.gz DXHXWDJMUWFJKJ-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO CC1(C)CC[N@H+](CC2CNC2)C1 165251448 344261082 /nfs/dbraw/zinc/26/10/82/344261082.db2.gz DXHXWDJMUWFJKJ-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO CC1(C)CC[N@@H+](CC2CNC2)C1 165251448 344261084 /nfs/dbraw/zinc/26/10/84/344261084.db2.gz DXHXWDJMUWFJKJ-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO C1C[C@@H]2C[N@H+](CC3CNC3)C[C@@H]2C1 165264518 344261092 /nfs/dbraw/zinc/26/10/92/344261092.db2.gz NRFVDDPYVRQTAX-PHIMTYICSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[C@@H]2C[N@@H+](CC3CNC3)C[C@@H]2C1 165264518 344261094 /nfs/dbraw/zinc/26/10/94/344261094.db2.gz NRFVDDPYVRQTAX-PHIMTYICSA-N 1 3 180.295 0.938 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)Nc1nccn1C 165750824 344268674 /nfs/dbraw/zinc/26/86/74/344268674.db2.gz FJQGOHGJGFKXNP-HTQZYQBOSA-N 1 3 182.271 0.958 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)Nc1nccn1C 165750695 344268726 /nfs/dbraw/zinc/26/87/26/344268726.db2.gz FJQGOHGJGFKXNP-JGVFFNPUSA-N 1 3 182.271 0.958 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])Nc1nccn1C 165751066 344268787 /nfs/dbraw/zinc/26/87/87/344268787.db2.gz FJQGOHGJGFKXNP-SFYZADRCSA-N 1 3 182.271 0.958 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)Nc1nccn1C 165750951 344268855 /nfs/dbraw/zinc/26/88/55/344268855.db2.gz FJQGOHGJGFKXNP-YUMQZZPRSA-N 1 3 182.271 0.958 10 0 ACAEHO C[NH2+][C@@H](C)[C@H]1CCCNC1 165943343 344273012 /nfs/dbraw/zinc/27/30/12/344273012.db2.gz SDKFKSOUUGNOHH-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@@H](C[NH3+])CN1CC=CCC1 166101538 344274655 /nfs/dbraw/zinc/27/46/55/344274655.db2.gz RBQKYWHQXFEPPW-VIFPVBQESA-N 1 3 154.257 0.843 10 0 ACAEHO C[C@@H]([NH3+])CCN1CC=CCC1 166121250 344274708 /nfs/dbraw/zinc/27/47/08/344274708.db2.gz NPBFGTKHWYBHHB-SECBINFHSA-N 1 3 154.257 0.986 10 0 ACAEHO N[C@H]1COC[C@@H]1C[N@H+]1CC=CCC1 166110781 344274755 /nfs/dbraw/zinc/27/47/55/344274755.db2.gz RQENKUZJVAGRBI-UWVGGRQHSA-N 1 3 182.267 0.222 10 0 ACAEHO N[C@H]1COC[C@@H]1C[N@@H+]1CC=CCC1 166110781 344274757 /nfs/dbraw/zinc/27/47/57/344274757.db2.gz RQENKUZJVAGRBI-UWVGGRQHSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+][C@H]1COC[C@@H]1CN1CC=CCC1 166110781 344274760 /nfs/dbraw/zinc/27/47/60/344274760.db2.gz RQENKUZJVAGRBI-UWVGGRQHSA-N 1 3 182.267 0.222 10 0 ACAEHO N[C@H]1COC[C@H]1C[N@H+]1CC=CCC1 166110649 344274896 /nfs/dbraw/zinc/27/48/96/344274896.db2.gz RQENKUZJVAGRBI-ZJUUUORDSA-N 1 3 182.267 0.222 10 0 ACAEHO N[C@H]1COC[C@H]1C[N@@H+]1CC=CCC1 166110649 344274898 /nfs/dbraw/zinc/27/48/98/344274898.db2.gz RQENKUZJVAGRBI-ZJUUUORDSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+][C@H]1COC[C@H]1CN1CC=CCC1 166110649 344274899 /nfs/dbraw/zinc/27/48/99/344274899.db2.gz RQENKUZJVAGRBI-ZJUUUORDSA-N 1 3 182.267 0.222 10 0 ACAEHO C1=CCN(C[C@@H]2CC[NH2+]C2)CC1 166115168 344274980 /nfs/dbraw/zinc/27/49/80/344274980.db2.gz DHDSWTLNWOVLAW-SNVBAGLBSA-N 1 3 166.268 0.858 10 0 ACAEHO C[C@H](C[NH3+])CN1CC=CCC1 166101667 344275001 /nfs/dbraw/zinc/27/50/01/344275001.db2.gz RBQKYWHQXFEPPW-SECBINFHSA-N 1 3 154.257 0.843 10 0 ACAEHO [NH3+]C[C@H]1CC[C@H]1N1CC=CCC1 166253389 344277240 /nfs/dbraw/zinc/27/72/40/344277240.db2.gz BKYAUMQIJUFJCQ-NXEZZACHSA-N 1 3 166.268 0.986 10 0 ACAEHO C[C@H](CC[NH3+])N1CC=CCC1 166259354 344277352 /nfs/dbraw/zinc/27/73/52/344277352.db2.gz NYZDUCQXNKYZQS-SECBINFHSA-N 1 3 154.257 0.986 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC=CCC1 166259228 344277407 /nfs/dbraw/zinc/27/74/07/344277407.db2.gz NYZDUCQXNKYZQS-VIFPVBQESA-N 1 3 154.257 0.986 10 0 ACAEHO [NH3+]C[C@H]1CC[C@@H]1N1CC=CCC1 166253521 344277563 /nfs/dbraw/zinc/27/75/63/344277563.db2.gz BKYAUMQIJUFJCQ-ZJUUUORDSA-N 1 3 166.268 0.986 10 0 ACAEHO CO[C@H](C)C[N@@H+]1C[C@@H](N)CC[C@H]1C 167392890 344304333 /nfs/dbraw/zinc/30/43/33/344304333.db2.gz GEFWKFRDHCJAJT-BBBLOLIVSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@H+]1C[C@@H](N)CC[C@H]1C 167392890 344304334 /nfs/dbraw/zinc/30/43/34/344304334.db2.gz GEFWKFRDHCJAJT-BBBLOLIVSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@@H+]1C[C@@H](N)CC[C@@H]1C 167393005 344304369 /nfs/dbraw/zinc/30/43/69/344304369.db2.gz GEFWKFRDHCJAJT-AEJSXWLSSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@H+]1C[C@@H](N)CC[C@@H]1C 167393005 344304371 /nfs/dbraw/zinc/30/43/71/344304371.db2.gz GEFWKFRDHCJAJT-AEJSXWLSSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@@H+]1C[C@H](N)CC[C@H]1C 167393116 344304381 /nfs/dbraw/zinc/30/43/81/344304381.db2.gz GEFWKFRDHCJAJT-OPRDCNLKSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@H+]1C[C@H](N)CC[C@H]1C 167393116 344304382 /nfs/dbraw/zinc/30/43/82/344304382.db2.gz GEFWKFRDHCJAJT-OPRDCNLKSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@@H+]1C[C@H](N)CC[C@@H]1C 167393227 344304492 /nfs/dbraw/zinc/30/44/92/344304492.db2.gz GEFWKFRDHCJAJT-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@H+]1C[C@H](N)CC[C@@H]1C 167393227 344304494 /nfs/dbraw/zinc/30/44/94/344304494.db2.gz GEFWKFRDHCJAJT-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCNCC[C@@H]1C 167636709 344310094 /nfs/dbraw/zinc/31/00/94/344310094.db2.gz XOUSDIQSFKMBIT-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCNCC[C@@H]1C 167636709 344310095 /nfs/dbraw/zinc/31/00/95/344310095.db2.gz XOUSDIQSFKMBIT-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCCN[C@@H](C)C1 167633291 344310113 /nfs/dbraw/zinc/31/01/13/344310113.db2.gz WPYVRNYZZIUEIX-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCCN[C@@H](C)C1 167633291 344310115 /nfs/dbraw/zinc/31/01/15/344310115.db2.gz WPYVRNYZZIUEIX-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCCN[C@H](C)C1 167633221 344310136 /nfs/dbraw/zinc/31/01/36/344310136.db2.gz WPYVRNYZZIUEIX-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCCN[C@H](C)C1 167633221 344310137 /nfs/dbraw/zinc/31/01/37/344310137.db2.gz WPYVRNYZZIUEIX-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@H]1CCN(C[C@@H](C)O)C[C@@H]1C[NH3+] 167658918 344310571 /nfs/dbraw/zinc/31/05/71/344310571.db2.gz CRKVOTPTAUSLBV-AEJSXWLSSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@@H](C)O)C[C@@H]1CN 167658918 344310573 /nfs/dbraw/zinc/31/05/73/344310573.db2.gz CRKVOTPTAUSLBV-AEJSXWLSSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@@H](C)O)C[C@@H]1CN 167658918 344310577 /nfs/dbraw/zinc/31/05/77/344310577.db2.gz CRKVOTPTAUSLBV-AEJSXWLSSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 167658810 344310702 /nfs/dbraw/zinc/31/07/02/344310702.db2.gz CRKVOTPTAUSLBV-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 167658810 344310703 /nfs/dbraw/zinc/31/07/03/344310703.db2.gz CRKVOTPTAUSLBV-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 167658810 344310704 /nfs/dbraw/zinc/31/07/04/344310704.db2.gz CRKVOTPTAUSLBV-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[NH2+]CC1(CN)CCCC1 168156233 344322266 /nfs/dbraw/zinc/32/22/66/344322266.db2.gz RMVLDGVQBGZGME-UHFFFAOYSA-N 1 3 142.246 0.725 10 0 ACAEHO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC(N)C1 168193913 344324045 /nfs/dbraw/zinc/32/40/45/344324045.db2.gz BVESLWFLWVEUIL-PEBLOWIWSA-N 1 3 184.283 0.225 10 0 ACAEHO CC1(C)[C@@H](O)C[C@H]1[NH2+]C1CC(N)C1 168193827 344324109 /nfs/dbraw/zinc/32/41/09/344324109.db2.gz BVESLWFLWVEUIL-YNTFGVKOSA-N 1 3 184.283 0.225 10 0 ACAEHO CC1(C)[C@@H]([NH2+]C2CC(N)C2)C[C@H]1O 168194079 344324135 /nfs/dbraw/zinc/32/41/35/344324135.db2.gz BVESLWFLWVEUIL-ABIFROTESA-N 1 3 184.283 0.225 10 0 ACAEHO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC(N)C1 168193991 344324152 /nfs/dbraw/zinc/32/41/52/344324152.db2.gz BVESLWFLWVEUIL-GEPGNKONSA-N 1 3 184.283 0.225 10 0 ACAEHO Cn1ccnc1NCC(C)(C)[NH3+] 168403148 344330331 /nfs/dbraw/zinc/33/03/31/344330331.db2.gz MURAVERMSMZNDR-UHFFFAOYSA-N 1 3 168.244 0.569 10 0 ACAEHO C[NH2+]CC1(CN)CCC1 168528572 344332422 /nfs/dbraw/zinc/33/24/22/344332422.db2.gz WUJFQYLTICWMFW-UHFFFAOYSA-N 1 3 128.219 0.335 10 0 ACAEHO [NH3+]CC1(CN2CCCOCC2)CCC1 168545316 344332571 /nfs/dbraw/zinc/33/25/71/344332571.db2.gz DTCPLOLNZBULEI-UHFFFAOYSA-N 1 3 198.310 0.838 10 0 ACAEHO NCC1(C[N@@H+]2CCCOCC2)CCC1 168545316 344332572 /nfs/dbraw/zinc/33/25/72/344332572.db2.gz DTCPLOLNZBULEI-UHFFFAOYSA-N 1 3 198.310 0.838 10 0 ACAEHO NCC1(C[N@H+]2CCCOCC2)CCC1 168545316 344332574 /nfs/dbraw/zinc/33/25/74/344332574.db2.gz DTCPLOLNZBULEI-UHFFFAOYSA-N 1 3 198.310 0.838 10 0 ACAEHO CN1CCCN(CC2(C[NH3+])CC2)CC1 168752301 344335966 /nfs/dbraw/zinc/33/59/66/344335966.db2.gz HIVOGEJIOXFJNM-UHFFFAOYSA-N 1 3 197.326 0.363 10 0 ACAEHO CN1CC[C@H](N2CCC[C@@H]2C[NH3+])C1 168787305 344337617 /nfs/dbraw/zinc/33/76/17/344337617.db2.gz YMCMRXKLABUYHQ-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@@H](N2CCC[C@@H]2C[NH3+])C1 168787396 344337698 /nfs/dbraw/zinc/33/76/98/344337698.db2.gz YMCMRXKLABUYHQ-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO [NH3+]C[C@H]1CCCN1C[C@@H]1CCCOC1 168792671 344337736 /nfs/dbraw/zinc/33/77/36/344337736.db2.gz JEWWKVWATGZBMC-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCCOC1 168792715 344337814 /nfs/dbraw/zinc/33/78/14/344337814.db2.gz JEWWKVWATGZBMC-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CCN(C)C1 168828617 344338134 /nfs/dbraw/zinc/33/81/34/344338134.db2.gz UMNOEOROHPQKGS-GMTAPVOTSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CCN(C)C1 168828797 344338218 /nfs/dbraw/zinc/33/82/18/344338218.db2.gz UMNOEOROHPQKGS-OUAUKWLOSA-N 1 3 197.326 0.502 10 0 ACAEHO [NH3+]C[C@H]1CCCN1[C@@H]1CCC[C@H]1O 168924331 344339915 /nfs/dbraw/zinc/33/99/15/344339915.db2.gz JIKJIRUCZXZDPK-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1CC(C)(C)O 168938693 344340403 /nfs/dbraw/zinc/34/04/03/344340403.db2.gz PMAJXBOZAKUHEA-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](O)[C@@H](C)N1CCC[C@@H]1C[NH3+] 168936293 344340440 /nfs/dbraw/zinc/34/04/40/344340440.db2.gz GREYHFXWYNVBCQ-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)N1CCC[C@@H]1C[NH3+] 168936221 344340490 /nfs/dbraw/zinc/34/04/90/344340490.db2.gz GREYHFXWYNVBCQ-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1CC(C)(C)O 168938876 344340498 /nfs/dbraw/zinc/34/04/98/344340498.db2.gz PMAJXBOZAKUHEA-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1CC(C)(C)O 168938608 344340534 /nfs/dbraw/zinc/34/05/34/344340534.db2.gz PMAJXBOZAKUHEA-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1CC(C)(C)O 168938780 344340542 /nfs/dbraw/zinc/34/05/42/344340542.db2.gz PMAJXBOZAKUHEA-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](O)CN1CC[C@H]([NH3+])C[C@H]1C 168963105 344341060 /nfs/dbraw/zinc/34/10/60/344341060.db2.gz MAMPVJSKPRKZGQ-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C 168962942 344341122 /nfs/dbraw/zinc/34/11/22/344341122.db2.gz MAMPVJSKPRKZGQ-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO Cn1ccnc1NCC1(C[NH3+])CC1 169008118 344342338 /nfs/dbraw/zinc/34/23/38/344342338.db2.gz LMUGTDHZNLBIBX-UHFFFAOYSA-N 1 3 180.255 0.571 10 0 ACAEHO CN(C)CCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 169079093 344344016 /nfs/dbraw/zinc/34/40/16/344344016.db2.gz YOMCWQFEQTWSJR-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CNC[C@@H]1CCC[N@@H+]1C1CCOCC1 169248269 344349858 /nfs/dbraw/zinc/34/98/58/344349858.db2.gz BYTHNJSWZNQHCA-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CNC[C@@H]1CCC[N@H+]1C1CCOCC1 169248269 344349861 /nfs/dbraw/zinc/34/98/61/344349861.db2.gz BYTHNJSWZNQHCA-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CNC[C@H]1CCC[N@@H+]1C1CCOCC1 169248337 344350058 /nfs/dbraw/zinc/35/00/58/344350058.db2.gz BYTHNJSWZNQHCA-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CNC[C@H]1CCC[N@H+]1C1CCOCC1 169248337 344350060 /nfs/dbraw/zinc/35/00/60/344350060.db2.gz BYTHNJSWZNQHCA-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CNc1ccc(C(CN)C[NH3+])cc1 201116542 344364430 /nfs/dbraw/zinc/36/44/30/344364430.db2.gz CLGZWUBYJOWABM-UHFFFAOYSA-N 1 3 179.267 0.729 10 0 ACAEHO N[C@@H]1C[C@H]2C[NH2+][C@@H](C1)C2 202565567 344367296 /nfs/dbraw/zinc/36/72/96/344367296.db2.gz XIQRLHSCQPTITP-FSDSQADBSA-N 1 3 126.203 0.086 10 0 ACAEHO CC(C)[C@@H]1C[NH2+]C[C@H]1CN 211372902 344377379 /nfs/dbraw/zinc/37/73/79/344377379.db2.gz PACYURUMNSHKFO-SFYZADRCSA-N 1 3 142.246 0.437 10 0 ACAEHO CN1CC/C(=C/CC[NH3+])C1 214886746 344383573 /nfs/dbraw/zinc/38/35/73/344383573.db2.gz DTYVZLDXQWGMER-BAQGIRSFSA-N 1 3 140.230 0.597 10 0 ACAEHO C[C@@H](CN)[C@@H]1CCCC[NH2+]1 215713745 344391488 /nfs/dbraw/zinc/39/14/88/344391488.db2.gz DFZWWHAWOPPCAY-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H](CN)[C@H]1CCCC[NH2+]1 215713837 344391572 /nfs/dbraw/zinc/39/15/72/344391572.db2.gz DFZWWHAWOPPCAY-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H](CN)[C@H]1CCCC[NH2+]1 215713882 344391606 /nfs/dbraw/zinc/39/16/06/344391606.db2.gz DFZWWHAWOPPCAY-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H](CN)[C@@H]1CCCC[NH2+]1 215713785 344391635 /nfs/dbraw/zinc/39/16/35/344391635.db2.gz DFZWWHAWOPPCAY-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO N[C@H]1CCC[N@H+](CC2CSC2)C1 215763708 344392372 /nfs/dbraw/zinc/39/23/72/344392372.db2.gz IBJUPTCXMPNWCS-VIFPVBQESA-N 1 3 186.324 0.773 10 0 ACAEHO N[C@H]1CCC[N@@H+](CC2CSC2)C1 215763708 344392374 /nfs/dbraw/zinc/39/23/74/344392374.db2.gz IBJUPTCXMPNWCS-VIFPVBQESA-N 1 3 186.324 0.773 10 0 ACAEHO N[C@@H]1CCC[N@H+](CC2CSC2)C1 215763754 344392436 /nfs/dbraw/zinc/39/24/36/344392436.db2.gz IBJUPTCXMPNWCS-SECBINFHSA-N 1 3 186.324 0.773 10 0 ACAEHO N[C@@H]1CCC[N@@H+](CC2CSC2)C1 215763754 344392438 /nfs/dbraw/zinc/39/24/38/344392438.db2.gz IBJUPTCXMPNWCS-SECBINFHSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C1CCN(CC2CSC2)CC1 215786671 344392834 /nfs/dbraw/zinc/39/28/34/344392834.db2.gz ALAYDXMZWRWYEE-UHFFFAOYSA-N 1 3 186.324 0.773 10 0 ACAEHO NCC(C[NH3+])c1cccc(N)c1 216179812 344395067 /nfs/dbraw/zinc/39/50/67/344395067.db2.gz DEDXMHLJNRMDTA-UHFFFAOYSA-N 1 3 165.240 0.270 10 0 ACAEHO NCC(C[NH3+])c1ccc(N)cc1 216179970 344395156 /nfs/dbraw/zinc/39/51/56/344395156.db2.gz QYPVIXLTNOLWFG-UHFFFAOYSA-N 1 3 165.240 0.270 10 0 ACAEHO Cc1cc(C(CN)C[NH3+])ccc1N 216180791 344395284 /nfs/dbraw/zinc/39/52/84/344395284.db2.gz SUNGINRBFORCFT-UHFFFAOYSA-N 1 3 179.267 0.578 10 0 ACAEHO Cc1cc(N)ccc1C(CN)C[NH3+] 216181040 344395347 /nfs/dbraw/zinc/39/53/47/344395347.db2.gz JASASJZSTYHVJJ-UHFFFAOYSA-N 1 3 179.267 0.578 10 0 ACAEHO COCCN1CCC[C@@H]([NH3+])CC1 216199718 344395504 /nfs/dbraw/zinc/39/55/04/344395504.db2.gz YRDWQXFVIWOTRN-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COCCN1CCC[C@H]([NH3+])CC1 216199670 344395652 /nfs/dbraw/zinc/39/56/52/344395652.db2.gz YRDWQXFVIWOTRN-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC[C@@H]1CCCN1[C@@]1(C[NH3+])CCOC1 216294995 344396206 /nfs/dbraw/zinc/39/62/06/344396206.db2.gz NSWHDUZKEGOPAG-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H]1CCCN1[C@@]1(C[NH3+])CCOC1 216295041 344396262 /nfs/dbraw/zinc/39/62/62/344396262.db2.gz NSWHDUZKEGOPAG-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@@H]2CCCOC2)C1 216315897 344396859 /nfs/dbraw/zinc/39/68/59/344396859.db2.gz DEWWHAIGVZXQAS-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@H]([NH3+])CN[C@@H]1C[C@@H]1C 216459049 344397373 /nfs/dbraw/zinc/39/73/73/344397373.db2.gz ASWBBAJWNKFSMQ-LYFYHCNISA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@@H+]1CC[C@@H](CN)C1 216452130 344397395 /nfs/dbraw/zinc/39/73/95/344397395.db2.gz DUSIUTWLUZXZQA-VGMNWLOBSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@H+]1CC[C@@H](CN)C1 216452130 344397397 /nfs/dbraw/zinc/39/73/97/344397397.db2.gz DUSIUTWLUZXZQA-VGMNWLOBSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]([NH3+])CN[C@H]1C[C@@H]1C 216459095 344397447 /nfs/dbraw/zinc/39/74/47/344397447.db2.gz ASWBBAJWNKFSMQ-ACZMJKKPSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@H]1CN(C[C@H](C)C[NH3+])CCN1C 216484413 344397500 /nfs/dbraw/zinc/39/75/00/344397500.db2.gz MTMPQDXMIUTERW-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H]1C[C@H]1[N@@H+]1CC[C@@H](CN)C1 216452239 344397756 /nfs/dbraw/zinc/39/77/56/344397756.db2.gz DUSIUTWLUZXZQA-HRDYMLBCSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1C[C@H]1[N@H+]1CC[C@@H](CN)C1 216452239 344397758 /nfs/dbraw/zinc/39/77/58/344397758.db2.gz DUSIUTWLUZXZQA-HRDYMLBCSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]([NH3+])CCN1CCN(C)[C@@H](C)C1 216522003 344398182 /nfs/dbraw/zinc/39/81/82/344398182.db2.gz GSXAIHIFHPFAJM-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H](CN1CCN(C)[C@@H](C)C1)C(N)=[NH2+] 216564599 344398224 /nfs/dbraw/zinc/39/82/24/344398224.db2.gz FALIFYMHIRMHKB-IUCAKERBSA-N 1 3 198.314 0.194 10 0 ACAEHO C[C@H]1CN(C[C@H](C)C[NH3+])CCCO1 217507905 344402206 /nfs/dbraw/zinc/40/22/06/344402206.db2.gz YTHJRTNXVQUVMA-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]1C[N@H+]([C@H](C)CN)CCCO1 217507326 344402449 /nfs/dbraw/zinc/40/24/49/344402449.db2.gz ZWLGYXXRLSGVNX-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H]1C[N@@H+]([C@H](C)CN)CCCO1 217507326 344402450 /nfs/dbraw/zinc/40/24/50/344402450.db2.gz ZWLGYXXRLSGVNX-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H]([NH3+])CCN1CCCO[C@@H](C)C1 217524973 344402468 /nfs/dbraw/zinc/40/24/68/344402468.db2.gz VTWMBDQGRHRKPU-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1CN([C@H](C)CC[NH3+])CCCO1 217507189 344402520 /nfs/dbraw/zinc/40/25/20/344402520.db2.gz VVYNPQSGNBBRKL-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 217532197 344402918 /nfs/dbraw/zinc/40/29/18/344402918.db2.gz XWJZXHANDMEXQY-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2O)C1 217532197 344402920 /nfs/dbraw/zinc/40/29/20/344402920.db2.gz XWJZXHANDMEXQY-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 217532317 344403098 /nfs/dbraw/zinc/40/30/98/344403098.db2.gz RHSGGOHFQXONKF-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 217532317 344403101 /nfs/dbraw/zinc/40/31/01/344403101.db2.gz RHSGGOHFQXONKF-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H]1CN(C/C=C\C[NH3+])CCCO1 217614651 344403823 /nfs/dbraw/zinc/40/38/23/344403823.db2.gz UCCIYIBHMHIFKB-ZMWSMAPVSA-N 1 3 184.283 0.612 10 0 ACAEHO C[C@@H]1CN(C/C=C\C[NH3+])CCCO1 217614565 344403874 /nfs/dbraw/zinc/40/38/74/344403874.db2.gz UCCIYIBHMHIFKB-MXQLGCADSA-N 1 3 184.283 0.612 10 0 ACAEHO C[C@@H]1CN(C/C=C\C[NH3+])CCN1C 217663515 344404606 /nfs/dbraw/zinc/40/46/06/344404606.db2.gz DWAZQBALMMHNOE-UMBAGQNISA-N 1 3 183.299 0.137 10 0 ACAEHO C[C@H]1CN(C/C=C\C[NH3+])CCN1C 217663581 344404676 /nfs/dbraw/zinc/40/46/76/344404676.db2.gz DWAZQBALMMHNOE-XOULXFPDSA-N 1 3 183.299 0.137 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@H]1N1CCCOCC1 217744911 344405593 /nfs/dbraw/zinc/40/55/93/344405593.db2.gz CPNXLDFTULOUFJ-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO CN1CC[C@H](N2CCC[C@@H]([NH3+])C2)C1 217763989 344405756 /nfs/dbraw/zinc/40/57/56/344405756.db2.gz RBWFLQHXRUQTPQ-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CCCOCC1 217744825 344405786 /nfs/dbraw/zinc/40/57/86/344405786.db2.gz CPNXLDFTULOUFJ-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO CN1CC[C@@H](N2CCC[C@@H]([NH3+])C2)C1 217763902 344405807 /nfs/dbraw/zinc/40/58/07/344405807.db2.gz RBWFLQHXRUQTPQ-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC[C@@H](O)C1 218343518 344411580 /nfs/dbraw/zinc/41/15/80/344411580.db2.gz BHFDWGFPMXJUQZ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC[C@@H](O)C1 218343435 344411615 /nfs/dbraw/zinc/41/16/15/344411615.db2.gz BHFDWGFPMXJUQZ-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CN1CCC[C@@H](O)C1)C(N)=[NH2+] 218450627 344412238 /nfs/dbraw/zinc/41/22/38/344412238.db2.gz CMGOBUTUORCEGN-JGVFFNPUSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H](CN1CCC[C@@H](O)C1)C(N)=[NH2+] 218450715 344412348 /nfs/dbraw/zinc/41/23/48/344412348.db2.gz CMGOBUTUORCEGN-HTQZYQBOSA-N 1 3 185.271 0.015 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H](O)C1 218461674 344412697 /nfs/dbraw/zinc/41/26/97/344412697.db2.gz VBULDIQCQQYYHO-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H](O)C1 218461674 344412699 /nfs/dbraw/zinc/41/26/99/344412699.db2.gz VBULDIQCQQYYHO-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@]1(N)CC[N@@H+](C2CC2)C1 218553243 344413598 /nfs/dbraw/zinc/41/35/98/344413598.db2.gz NWBXCXHPEJPHJA-MRVPVSSYSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@@]1(N)CC[N@H+](C2CC2)C1 218553243 344413600 /nfs/dbraw/zinc/41/36/00/344413600.db2.gz NWBXCXHPEJPHJA-MRVPVSSYSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@]1(N)CC[N@@H+](C2CC2)C1 218553170 344413609 /nfs/dbraw/zinc/41/36/09/344413609.db2.gz NWBXCXHPEJPHJA-QMMMGPOBSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@]1(N)CC[N@H+](C2CC2)C1 218553170 344413610 /nfs/dbraw/zinc/41/36/10/344413610.db2.gz NWBXCXHPEJPHJA-QMMMGPOBSA-N 1 3 140.230 0.572 10 0 ACAEHO CC1([NH3+])CCN(C2CC2)CC1 218612529 344413910 /nfs/dbraw/zinc/41/39/10/344413910.db2.gz PTIDXLFPNKHOFE-UHFFFAOYSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@@H](C)[C@@](C)(N)C[NH3+] 218596839 344414133 /nfs/dbraw/zinc/41/41/33/344414133.db2.gz CKSRIGBJKHZVJP-RQJHMYQMSA-N 1 3 130.235 0.709 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CCN(C)[C@@H](C)C1 218661289 344414924 /nfs/dbraw/zinc/41/49/24/344414924.db2.gz TWYUTFRUXOUXIE-DCAQKATOSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CCN(C)[C@@H](C)C1 218661206 344414947 /nfs/dbraw/zinc/41/49/47/344414947.db2.gz TWYUTFRUXOUXIE-AXFHLTTASA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)[C@H]1CC[NH2+]CCN1 218887150 344418111 /nfs/dbraw/zinc/41/81/11/344418111.db2.gz ZYNGYEHIMSQMLT-MRVPVSSYSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)[C@@H]1CC[NH2+]CCN1 218887071 344418131 /nfs/dbraw/zinc/41/81/31/344418131.db2.gz ZYNGYEHIMSQMLT-QMMMGPOBSA-N 1 3 142.246 0.594 10 0 ACAEHO COC[C@@H](C)[N@@H+]1CCNC[C@@H](C)C1 219597726 344425490 /nfs/dbraw/zinc/42/54/90/344425490.db2.gz BHZZKLVSBMPYAI-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO COC[C@@H](C)[N@H+]1CCNC[C@@H](C)C1 219597726 344425492 /nfs/dbraw/zinc/42/54/92/344425492.db2.gz BHZZKLVSBMPYAI-NXEZZACHSA-N 1 3 186.299 0.563 10 0 ACAEHO COC[C@@H](C)[N@@H+]1CCN[C@@H](C)CC1 219597802 344425642 /nfs/dbraw/zinc/42/56/42/344425642.db2.gz KYGCOHXMQYCXOD-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO COC[C@@H](C)[N@H+]1CCN[C@@H](C)CC1 219597802 344425643 /nfs/dbraw/zinc/42/56/43/344425643.db2.gz KYGCOHXMQYCXOD-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@H]1C[NH2+][C@@H](C)CCN(C)C1 219613182 344426015 /nfs/dbraw/zinc/42/60/15/344426015.db2.gz ZQJPLGZOWLDWIO-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1C[NH2+][C@H](C)CCN(C)C1 219613264 344426127 /nfs/dbraw/zinc/42/61/27/344426127.db2.gz ZQJPLGZOWLDWIO-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)(C)[N@@H+]1CCN[C@@H](CN)C1 219698983 344426877 /nfs/dbraw/zinc/42/68/77/344426877.db2.gz VNQFEMWQWNDLIY-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@H+]1CCN[C@@H](CN)C1 219698983 344426879 /nfs/dbraw/zinc/42/68/79/344426879.db2.gz VNQFEMWQWNDLIY-QMMMGPOBSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@@H+]1CCN[C@H](CN)C1 219698914 344427019 /nfs/dbraw/zinc/42/70/19/344427019.db2.gz VNQFEMWQWNDLIY-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(C)(C)[N@H+]1CCN[C@H](CN)C1 219698914 344427020 /nfs/dbraw/zinc/42/70/20/344427020.db2.gz VNQFEMWQWNDLIY-MRVPVSSYSA-N 1 3 171.288 0.017 10 0 ACAEHO CC(=[NH2+])N[C@H]1CCN2CCC[C@@H]12 220671066 344434169 /nfs/dbraw/zinc/43/41/69/344434169.db2.gz JSRTWUSYPIQHCE-IUCAKERBSA-N 1 3 167.256 0.810 10 0 ACAEHO CC(=[NH2+])N[C@@H]1CCN2CCC[C@@H]12 220671007 344434214 /nfs/dbraw/zinc/43/42/14/344434214.db2.gz JSRTWUSYPIQHCE-BDAKNGLRSA-N 1 3 167.256 0.810 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCCSC2)C1 220679947 344434389 /nfs/dbraw/zinc/43/43/89/344434389.db2.gz SNYSEXXCASBJFL-QJAFJHJLSA-N 1 3 186.324 0.961 10 0 ACAEHO NC1CC([NH2+][C@@H]2CCCSC2)C1 220679947 344434391 /nfs/dbraw/zinc/43/43/91/344434391.db2.gz SNYSEXXCASBJFL-QJAFJHJLSA-N 1 3 186.324 0.961 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCCSC2)C1 220680010 344434419 /nfs/dbraw/zinc/43/44/19/344434419.db2.gz SNYSEXXCASBJFL-MGURRDGZSA-N 1 3 186.324 0.961 10 0 ACAEHO NC1CC([NH2+][C@H]2CCCSC2)C1 220680010 344434421 /nfs/dbraw/zinc/43/44/21/344434421.db2.gz SNYSEXXCASBJFL-MGURRDGZSA-N 1 3 186.324 0.961 10 0 ACAEHO NC1CC([NH2+]C2CCSCC2)C1 220692138 344434514 /nfs/dbraw/zinc/43/45/14/344434514.db2.gz SJUHBUYKRLOJSQ-UHFFFAOYSA-N 1 3 186.324 0.961 10 0 ACAEHO [NH3+]C1CC(NC2CCSCC2)C1 220692138 344434516 /nfs/dbraw/zinc/43/45/16/344434516.db2.gz SJUHBUYKRLOJSQ-UHFFFAOYSA-N 1 3 186.324 0.961 10 0 ACAEHO [NH3+]C1(CCN2CCC2)CCC1 221159790 344438664 /nfs/dbraw/zinc/43/86/64/344438664.db2.gz SKOXMDXPNZFHCZ-UHFFFAOYSA-N 1 3 154.257 0.964 10 0 ACAEHO CN1CCC(n2cc[nH+]c2N)CC1 221295997 344441518 /nfs/dbraw/zinc/44/15/18/344441518.db2.gz KIZINCUFMVYXNJ-UHFFFAOYSA-N 1 3 180.255 0.732 10 0 ACAEHO C[C@H]1C[C@@H](C)CN1[C@@]1(C[NH3+])CCOC1 222501845 344452825 /nfs/dbraw/zinc/45/28/25/344452825.db2.gz QJRPLCLOWOAJMP-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H](C)N([C@@]2(C[NH3+])CCOC2)C1 222501731 344453287 /nfs/dbraw/zinc/45/32/87/344453287.db2.gz QJRPLCLOWOAJMP-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO N[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 222795928 344454382 /nfs/dbraw/zinc/45/43/82/344454382.db2.gz KTWJVUWIZDOSPQ-AXFHLTTASA-N 1 3 198.310 0.882 10 0 ACAEHO CN1CC[C@H](N[C@@H]2CC[C@@H]([NH3+])C2)C1 222803169 344454416 /nfs/dbraw/zinc/45/44/16/344454416.db2.gz UOKBCAREPJACNW-BBBLOLIVSA-N 1 3 183.299 0.160 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 222795871 344454487 /nfs/dbraw/zinc/45/44/87/344454487.db2.gz KTWJVUWIZDOSPQ-HBNTYKKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H](N)C1 222826375 344454610 /nfs/dbraw/zinc/45/46/10/344454610.db2.gz LDWKNGZNKGFKRF-BGZDPUMWSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@@H]1C[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 222826375 344454612 /nfs/dbraw/zinc/45/46/12/344454612.db2.gz LDWKNGZNKGFKRF-BGZDPUMWSA-N 1 3 154.257 0.864 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N[C@@H]2CCCOC2)C1 222839388 344454831 /nfs/dbraw/zinc/45/48/31/344454831.db2.gz LVAWTEBZFCVDIN-OPRDCNLKSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N[C@@H]2CCCOC2)C1 222839450 344454992 /nfs/dbraw/zinc/45/49/92/344454992.db2.gz LVAWTEBZFCVDIN-KXUCPTDWSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H](C1CC1)N1CC[C@@H]([NH3+])C1 223100493 344456673 /nfs/dbraw/zinc/45/66/73/344456673.db2.gz CRCURGZTWATQFT-VXNVDRBHSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@@H+]1CC[C@@H](N)C1 223109589 344456545 /nfs/dbraw/zinc/45/65/45/344456545.db2.gz WKYDTBRYDKVPDG-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]([C@@H]1CCCO1)[N@H+]1CC[C@@H](N)C1 223109589 344456548 /nfs/dbraw/zinc/45/65/48/344456548.db2.gz WKYDTBRYDKVPDG-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@@H+]1CC[C@@H](N)C1 223109707 344456660 /nfs/dbraw/zinc/45/66/60/344456660.db2.gz WKYDTBRYDKVPDG-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]([C@H]1CCCO1)[N@H+]1CC[C@@H](N)C1 223109707 344456663 /nfs/dbraw/zinc/45/66/63/344456663.db2.gz WKYDTBRYDKVPDG-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO CCN(C)[C@H]1CC[C@@H]([NH3+])C1 223115302 344456742 /nfs/dbraw/zinc/45/67/42/344456742.db2.gz KYRUOWSTXPUGOG-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CCN(C)[C@@H]1CC[C@@H]([NH3+])C1 223115241 344456757 /nfs/dbraw/zinc/45/67/57/344456757.db2.gz KYRUOWSTXPUGOG-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H](C1CC1)N1CC[C@@H]([NH3+])C1 223100426 344456782 /nfs/dbraw/zinc/45/67/82/344456782.db2.gz CRCURGZTWATQFT-IONNQARKSA-N 1 3 154.257 0.818 10 0 ACAEHO CN(C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223115718 344456850 /nfs/dbraw/zinc/45/68/50/344456850.db2.gz ABNKZVNYADEQKF-VXNVDRBHSA-N 1 3 154.257 0.960 10 0 ACAEHO CN(C1CC1)[C@H]1CC[C@@H]([NH3+])C1 223115784 344456909 /nfs/dbraw/zinc/45/69/09/344456909.db2.gz ABNKZVNYADEQKF-APPZFPTMSA-N 1 3 154.257 0.960 10 0 ACAEHO CN(CCO)[C@H]1CCC[C@@H]([NH3+])C1 223133574 344457340 /nfs/dbraw/zinc/45/73/40/344457340.db2.gz NIBNWRQYDMCGEQ-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCC[C@@H](O)C2)C1 223126125 344457392 /nfs/dbraw/zinc/45/73/92/344457392.db2.gz HUSOFQQUJMYTFO-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CCC[C@@H](O)C2)C1 223126186 344457567 /nfs/dbraw/zinc/45/75/67/344457567.db2.gz HUSOFQQUJMYTFO-KXUCPTDWSA-N 1 3 184.283 0.323 10 0 ACAEHO CN(CCO)[C@@H]1CCC[C@@H]([NH3+])C1 223133523 344457622 /nfs/dbraw/zinc/45/76/22/344457622.db2.gz NIBNWRQYDMCGEQ-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN(CC(C)(C)O)[C@H]1CC[C@@H]([NH3+])C1 223193197 344457881 /nfs/dbraw/zinc/45/78/81/344457881.db2.gz HJRCSQMTOBHUHK-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CCCOCC2)C1 223170958 344457946 /nfs/dbraw/zinc/45/79/46/344457946.db2.gz KDHNMFZAVQBJGX-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO CN(CC(C)(C)O)[C@@H]1CC[C@@H]([NH3+])C1 223193145 344458001 /nfs/dbraw/zinc/45/80/01/344458001.db2.gz HJRCSQMTOBHUHK-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](N2CC[C@@H](O)C2)C1 223170159 344458121 /nfs/dbraw/zinc/45/81/21/344458121.db2.gz ZEIGTVJTVMRLIV-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCCOCC2)C1 223170905 344458132 /nfs/dbraw/zinc/45/81/32/344458132.db2.gz KDHNMFZAVQBJGX-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[N@H+](CC1CC(O)C1)[C@H]1CC[C@@H](N)C1 223189917 344458174 /nfs/dbraw/zinc/45/81/74/344458174.db2.gz MCYRBTJLMCBVNN-WIFZPCQCSA-N 1 3 198.310 0.569 10 0 ACAEHO C[N@@H+](CC1CC(O)C1)[C@H]1CC[C@@H](N)C1 223189917 344458176 /nfs/dbraw/zinc/45/81/76/344458176.db2.gz MCYRBTJLMCBVNN-WIFZPCQCSA-N 1 3 198.310 0.569 10 0 ACAEHO CN(CC1CC(O)C1)[C@H]1CC[C@@H]([NH3+])C1 223189917 344458177 /nfs/dbraw/zinc/45/81/77/344458177.db2.gz MCYRBTJLMCBVNN-WIFZPCQCSA-N 1 3 198.310 0.569 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N2CC[C@@H](O)C2)C1 223170274 344458208 /nfs/dbraw/zinc/45/82/08/344458208.db2.gz ZEIGTVJTVMRLIV-KXUCPTDWSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@@](C)(O)CN)C1 223253475 344458600 /nfs/dbraw/zinc/45/86/00/344458600.db2.gz OPOMYNGDZCUOQQ-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@@](C)(O)CN)C1 223253475 344458602 /nfs/dbraw/zinc/45/86/02/344458602.db2.gz OPOMYNGDZCUOQQ-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@@](C)(O)CN)C1 223253424 344458638 /nfs/dbraw/zinc/45/86/38/344458638.db2.gz OPOMYNGDZCUOQQ-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@@](C)(O)CN)C1 223253424 344458640 /nfs/dbraw/zinc/45/86/40/344458640.db2.gz OPOMYNGDZCUOQQ-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CC[C@]1(N)C[NH3+] 224146661 344466137 /nfs/dbraw/zinc/46/61/37/344466137.db2.gz XGUXKQCKFRIGNG-RITPCOANSA-N 1 3 114.192 0.073 10 0 ACAEHO C[C@H]1CC[C@]1(N)C[NH3+] 224146717 344466312 /nfs/dbraw/zinc/46/63/12/344466312.db2.gz XGUXKQCKFRIGNG-WDSKDSINSA-N 1 3 114.192 0.073 10 0 ACAEHO C[C@H]1CC[C@@]1(N)C[NH3+] 224146823 344466414 /nfs/dbraw/zinc/46/64/14/344466414.db2.gz XGUXKQCKFRIGNG-NTSWFWBYSA-N 1 3 114.192 0.073 10 0 ACAEHO C[C@@H]1CC[C@@]1(N)C[NH3+] 224146768 344466523 /nfs/dbraw/zinc/46/65/23/344466523.db2.gz XGUXKQCKFRIGNG-PHDIDXHHSA-N 1 3 114.192 0.073 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 224228665 344467658 /nfs/dbraw/zinc/46/76/58/344467658.db2.gz UEFMVYCSDUGEQP-AEJSXWLSSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2O)C1 224228665 344467660 /nfs/dbraw/zinc/46/76/60/344467660.db2.gz UEFMVYCSDUGEQP-AEJSXWLSSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@H]1CCN1[C@H](C)CC[NH3+] 226282580 344497610 /nfs/dbraw/zinc/49/76/10/344497610.db2.gz QHJJSKDTLULLBP-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO N[C@@H](C[NH3+])[C@H]1CCSC1 224496269 344469635 /nfs/dbraw/zinc/46/96/35/344469635.db2.gz SBRYJVAODBWSPB-WDSKDSINSA-N 1 3 146.259 0.026 10 0 ACAEHO N[C@H](C[NH3+])[C@@H]1CCSC1 224496134 344469794 /nfs/dbraw/zinc/46/97/94/344469794.db2.gz SBRYJVAODBWSPB-PHDIDXHHSA-N 1 3 146.259 0.026 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCN[C@@H](C)CC1 224540082 344470475 /nfs/dbraw/zinc/47/04/75/344470475.db2.gz OCZNWRKUUVLOQL-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCN[C@@H](C)CC1 224540082 344470476 /nfs/dbraw/zinc/47/04/76/344470476.db2.gz OCZNWRKUUVLOQL-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCN[C@@H](C)CC1 224540129 344470543 /nfs/dbraw/zinc/47/05/43/344470543.db2.gz OCZNWRKUUVLOQL-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCN[C@@H](C)CC1 224540129 344470544 /nfs/dbraw/zinc/47/05/44/344470544.db2.gz OCZNWRKUUVLOQL-VHSXEESVSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 224886085 344474336 /nfs/dbraw/zinc/47/43/36/344474336.db2.gz FLZCHWSUNZTYBS-OPRDCNLKSA-N 1 3 186.299 0.426 10 0 ACAEHO C1CC([NH+]2C[C@@H]3COC[C@H]3C2)CCN1 224934007 344474443 /nfs/dbraw/zinc/47/44/43/344474443.db2.gz FFAPQOAPHWTHIK-NXEZZACHSA-N 1 3 196.294 0.317 10 0 ACAEHO C1CC([NH+]2C[C@H]3COC[C@@H]3C2)CCN1 224933968 344474601 /nfs/dbraw/zinc/47/46/01/344474601.db2.gz FFAPQOAPHWTHIK-UWVGGRQHSA-N 1 3 196.294 0.317 10 0 ACAEHO C1CC([N@@H+]2C[C@H]3COC[C@H]3C2)CCN1 224933923 344474681 /nfs/dbraw/zinc/47/46/81/344474681.db2.gz FFAPQOAPHWTHIK-AOOOYVTPSA-N 1 3 196.294 0.317 10 0 ACAEHO C1CC([N@H+]2C[C@H]3COC[C@H]3C2)CCN1 224933923 344474682 /nfs/dbraw/zinc/47/46/82/344474682.db2.gz FFAPQOAPHWTHIK-AOOOYVTPSA-N 1 3 196.294 0.317 10 0 ACAEHO C[C@@H]1CC[C@H](CCN)[NH2+]C1 225099231 344476143 /nfs/dbraw/zinc/47/61/43/344476143.db2.gz ITKPFLSWEHSHRL-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]1CC[C@H](CCN)[NH2+]C1 225099268 344476207 /nfs/dbraw/zinc/47/62/07/344476207.db2.gz ITKPFLSWEHSHRL-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]1CC[C@@H](CCN)[NH2+]C1 225099342 344476228 /nfs/dbraw/zinc/47/62/28/344476228.db2.gz ITKPFLSWEHSHRL-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1CC[C@@H](CCN)[NH2+]C1 225099306 344476329 /nfs/dbraw/zinc/47/63/29/344476329.db2.gz ITKPFLSWEHSHRL-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCC[C@@H](O)C1 225158403 344477305 /nfs/dbraw/zinc/47/73/05/344477305.db2.gz NTIIBIABZIDUBQ-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CN([C@H]2CCN(C)C2)C[C@@H](C)[NH2+]1 225155079 344477389 /nfs/dbraw/zinc/47/73/89/344477389.db2.gz WTGPOMMMXLYHRQ-AXFHLTTASA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@H](CC[NH3+])N1CCC[C@@H](O)C1 225158441 344477450 /nfs/dbraw/zinc/47/74/50/344477450.db2.gz NTIIBIABZIDUBQ-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCCC(=O)C2)C1 225424761 344480830 /nfs/dbraw/zinc/48/08/30/344480830.db2.gz HWVKGQHIDPSWBC-VHSXEESVSA-N 1 3 196.294 0.779 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCCC(=O)C2)C1 225424761 344480832 /nfs/dbraw/zinc/48/08/32/344480832.db2.gz HWVKGQHIDPSWBC-VHSXEESVSA-N 1 3 196.294 0.779 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@@H]2CCCC(=O)C2)C1 225424761 344480835 /nfs/dbraw/zinc/48/08/35/344480835.db2.gz HWVKGQHIDPSWBC-VHSXEESVSA-N 1 3 196.294 0.779 10 0 ACAEHO CN1CCCN(C[C@@H]([NH3+])C2CC2)CC1 225493592 344482149 /nfs/dbraw/zinc/48/21/49/344482149.db2.gz YLVPXXSYCKURAE-LLVKDONJSA-N 1 3 197.326 0.361 10 0 ACAEHO C[N@H+](C1CC1)[C@H]1CCC[C@@](N)(CO)C1 225673764 344483869 /nfs/dbraw/zinc/48/38/69/344483869.db2.gz MNKUAMFMODCWEC-QWRGUYRKSA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@@H+](C1CC1)[C@H]1CCC[C@@](N)(CO)C1 225673764 344483871 /nfs/dbraw/zinc/48/38/71/344483871.db2.gz MNKUAMFMODCWEC-QWRGUYRKSA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@H+](C1CC1)[C@@H]1CCC[C@@](N)(CO)C1 225673740 344484026 /nfs/dbraw/zinc/48/40/26/344484026.db2.gz MNKUAMFMODCWEC-MNOVXSKESA-N 1 3 198.310 0.713 10 0 ACAEHO C[N@@H+](C1CC1)[C@@H]1CCC[C@@](N)(CO)C1 225673740 344484029 /nfs/dbraw/zinc/48/40/29/344484029.db2.gz MNKUAMFMODCWEC-MNOVXSKESA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@@H]2CCC(=O)C2)C1 225709260 344484675 /nfs/dbraw/zinc/48/46/75/344484675.db2.gz DYMXGEXQECISBU-DTWKUNHWSA-N 1 3 182.267 0.389 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1Cn1cncc1CN 225893688 344488880 /nfs/dbraw/zinc/48/88/80/344488880.db2.gz HENOBMNPIYUNCN-SECBINFHSA-N 1 3 194.282 0.436 10 0 ACAEHO C[N@H+]1CCC[C@@H]1Cn1cncc1CN 225893688 344488882 /nfs/dbraw/zinc/48/88/82/344488882.db2.gz HENOBMNPIYUNCN-SECBINFHSA-N 1 3 194.282 0.436 10 0 ACAEHO C[N@@H+]1CCC[C@H]1Cn1cncc1CN 225893710 344489103 /nfs/dbraw/zinc/48/91/03/344489103.db2.gz HENOBMNPIYUNCN-VIFPVBQESA-N 1 3 194.282 0.436 10 0 ACAEHO C[N@H+]1CCC[C@H]1Cn1cncc1CN 225893710 344489105 /nfs/dbraw/zinc/48/91/05/344489105.db2.gz HENOBMNPIYUNCN-VIFPVBQESA-N 1 3 194.282 0.436 10 0 ACAEHO CN1CCC[C@H]1CNC1CC[NH2+]CC1 226018637 344490133 /nfs/dbraw/zinc/49/01/33/344490133.db2.gz SRVAHDIZBVJMLI-NSHDSACASA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1 226019639 344490122 /nfs/dbraw/zinc/49/01/22/344490122.db2.gz XPYQBYMPNSXHDJ-NXEZZACHSA-N 1 3 183.299 0.032 10 0 ACAEHO CN1CCC[C@@H]1CNC1CC[NH2+]CC1 226018625 344490263 /nfs/dbraw/zinc/49/02/63/344490263.db2.gz SRVAHDIZBVJMLI-LLVKDONJSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@H]1CN[C@@H]1CC[NH2+]C1 226019651 344490567 /nfs/dbraw/zinc/49/05/67/344490567.db2.gz XPYQBYMPNSXHDJ-ZJUUUORDSA-N 1 3 183.299 0.032 10 0 ACAEHO C[C@@H]1CN([C@H](C)C(N)=[NH2+])C[C@@H]1N(C)C 226075688 344491827 /nfs/dbraw/zinc/49/18/27/344491827.db2.gz PFXTUJULTPPJRA-HLTSFMKQSA-N 1 3 198.314 0.193 10 0 ACAEHO CNC(=[NH2+])N[C@@H]1CCN2CCCC[C@@H]12 226094735 344492487 /nfs/dbraw/zinc/49/24/87/344492487.db2.gz MAYROKMVVWDVED-BDAKNGLRSA-N 1 3 196.298 0.357 10 0 ACAEHO CNC(=[NH2+])N[C@H]1CCN2CCCC[C@@H]12 226094748 344492656 /nfs/dbraw/zinc/49/26/56/344492656.db2.gz MAYROKMVVWDVED-IUCAKERBSA-N 1 3 196.298 0.357 10 0 ACAEHO CCNC(=[NH2+])N[C@H]1CCN2CCC[C@@H]12 226109173 344492682 /nfs/dbraw/zinc/49/26/82/344492682.db2.gz CPASPMCSPSHQAN-IUCAKERBSA-N 1 3 196.298 0.357 10 0 ACAEHO CCNC(=[NH2+])N[C@@H]1CCN2CCC[C@@H]12 226109164 344492764 /nfs/dbraw/zinc/49/27/64/344492764.db2.gz CPASPMCSPSHQAN-BDAKNGLRSA-N 1 3 196.298 0.357 10 0 ACAEHO CCN(C)[C@]1(CN)C[C@@H](C)[N@H+](C)C1 226149758 344493101 /nfs/dbraw/zinc/49/31/01/344493101.db2.gz RSRVIBMXVFICRK-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@]1(CN)C[C@@H](C)[N@@H+](C)C1 226149758 344493103 /nfs/dbraw/zinc/49/31/03/344493103.db2.gz RSRVIBMXVFICRK-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@]1(C[NH3+])C[C@@H](C)N(C)C1 226149758 344493104 /nfs/dbraw/zinc/49/31/04/344493104.db2.gz RSRVIBMXVFICRK-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@@]1(CN)C[C@@H](C)[N@H+](C)C1 226149751 344493351 /nfs/dbraw/zinc/49/33/51/344493351.db2.gz RSRVIBMXVFICRK-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@@]1(CN)C[C@@H](C)[N@@H+](C)C1 226149751 344493354 /nfs/dbraw/zinc/49/33/54/344493354.db2.gz RSRVIBMXVFICRK-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CCN(C)[C@@]1(C[NH3+])C[C@@H](C)N(C)C1 226149751 344493355 /nfs/dbraw/zinc/49/33/55/344493355.db2.gz RSRVIBMXVFICRK-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CO[C@@H]1CCCN(C2CC[NH2+]CC2)C1 226169704 344493724 /nfs/dbraw/zinc/49/37/24/344493724.db2.gz RTKGSGWWWBCRIT-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@@H]1CCC[N@@H+](C2CCNCC2)C1 226169704 344493726 /nfs/dbraw/zinc/49/37/26/344493726.db2.gz RTKGSGWWWBCRIT-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@@H]1CCC[N@H+](C2CCNCC2)C1 226169704 344493728 /nfs/dbraw/zinc/49/37/28/344493728.db2.gz RTKGSGWWWBCRIT-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@H]1CCCN(C2CC[NH2+]CC2)C1 226169714 344493877 /nfs/dbraw/zinc/49/38/77/344493877.db2.gz RTKGSGWWWBCRIT-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@H]1CCC[N@@H+](C2CCNCC2)C1 226169714 344493878 /nfs/dbraw/zinc/49/38/78/344493878.db2.gz RTKGSGWWWBCRIT-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@H]1CCC[N@H+](C2CCNCC2)C1 226169714 344493880 /nfs/dbraw/zinc/49/38/80/344493880.db2.gz RTKGSGWWWBCRIT-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@@H]1CCN(C2CC[NH2+]CC2)C1 226208057 344494979 /nfs/dbraw/zinc/49/49/79/344494979.db2.gz ZCGIMZZVLPJHCI-SNVBAGLBSA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@@H]1CC[N@@H+](C2CCNCC2)C1 226208057 344494981 /nfs/dbraw/zinc/49/49/81/344494981.db2.gz ZCGIMZZVLPJHCI-SNVBAGLBSA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@@H]1CC[N@H+](C2CCNCC2)C1 226208057 344494983 /nfs/dbraw/zinc/49/49/83/344494983.db2.gz ZCGIMZZVLPJHCI-SNVBAGLBSA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@H]1CCN(C2CC[NH2+]CC2)C1 226208068 344495118 /nfs/dbraw/zinc/49/51/18/344495118.db2.gz ZCGIMZZVLPJHCI-JTQLQIEISA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@H]1CC[N@@H+](C2CCNCC2)C1 226208068 344495121 /nfs/dbraw/zinc/49/51/21/344495121.db2.gz ZCGIMZZVLPJHCI-JTQLQIEISA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@H]1CC[N@H+](C2CCNCC2)C1 226208068 344495122 /nfs/dbraw/zinc/49/51/22/344495122.db2.gz ZCGIMZZVLPJHCI-JTQLQIEISA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@H]([NH3+])CCN1CC[C@@H]1C 226275015 344497325 /nfs/dbraw/zinc/49/73/25/344497325.db2.gz PFATURUCIHTNRT-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@H]1CCN1C[C@H](C)C[NH3+] 226282834 344497628 /nfs/dbraw/zinc/49/76/28/344497628.db2.gz QVKYFWOQDYRNGL-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CNC(=[NH2+])N[C@@H]1CCN(C)C[C@@H]1C 226329297 344499454 /nfs/dbraw/zinc/49/94/54/344499454.db2.gz CNGUUPXTXLUXDE-JGVFFNPUSA-N 1 3 184.287 0.070 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N1CC[C@@H](C[NH3+])C1 226417116 344502297 /nfs/dbraw/zinc/50/22/97/344502297.db2.gz PSDVGLIWMDOCRO-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1OCC[C@H]1N1CC[C@@H](C[NH3+])C1 226417124 344502397 /nfs/dbraw/zinc/50/23/97/344502397.db2.gz PSDVGLIWMDOCRO-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCCN1[C@@]1(C[NH3+])CCO[C@@H]1C 226419734 344502604 /nfs/dbraw/zinc/50/26/04/344502604.db2.gz JVWNDYOYENZPQL-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 226442028 344503389 /nfs/dbraw/zinc/50/33/89/344503389.db2.gz OAJHKCVRMAXXCT-JLIMGVALSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H](O)CN(C)[C@H]1CCC[NH2+]CC1 226469210 344503808 /nfs/dbraw/zinc/50/38/08/344503808.db2.gz STFXNAFIUJTAMA-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H](O)CN(C)[C@H]1CCC[NH2+]CC1 226466046 344503822 /nfs/dbraw/zinc/50/38/22/344503822.db2.gz STFXNAFIUJTAMA-ZJUUUORDSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)[C@@H]1CCO[C@@H]1C 226482297 344504287 /nfs/dbraw/zinc/50/42/87/344504287.db2.gz HDVXVVMNTDJDPW-AXTSPUMRSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)[C@@H]1CCO[C@@H]1C 226482297 344504289 /nfs/dbraw/zinc/50/42/89/344504289.db2.gz HDVXVVMNTDJDPW-AXTSPUMRSA-N 1 3 186.299 0.831 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@@H]2CCCOCC2)C1 226492860 344504704 /nfs/dbraw/zinc/50/47/04/344504704.db2.gz JNVLJRSRYVSMJY-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@@H]2CCCOCC2)C1 226492860 344504706 /nfs/dbraw/zinc/50/47/06/344504706.db2.gz JNVLJRSRYVSMJY-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 226569017 344506909 /nfs/dbraw/zinc/50/69/09/344506909.db2.gz AAUNLKBQULIAIT-DCAQKATOSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 226569017 344506910 /nfs/dbraw/zinc/50/69/10/344506910.db2.gz AAUNLKBQULIAIT-DCAQKATOSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])C2)CCO1 226614774 344508615 /nfs/dbraw/zinc/50/86/15/344508615.db2.gz SDONUSQRBCJZST-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CN)C2)CCO1 226614909 344508632 /nfs/dbraw/zinc/50/86/32/344508632.db2.gz HDUURTHKFCWCBB-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CN)C2)CCO1 226614909 344508635 /nfs/dbraw/zinc/50/86/35/344508635.db2.gz HDUURTHKFCWCBB-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CN)C2)CCO1 226614896 344508713 /nfs/dbraw/zinc/50/87/13/344508713.db2.gz HDUURTHKFCWCBB-VWYCJHECSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CN)C2)CCO1 226614896 344508716 /nfs/dbraw/zinc/50/87/16/344508716.db2.gz HDUURTHKFCWCBB-VWYCJHECSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@@]2(O)CC[NH2+]C2)C1 226701048 344510286 /nfs/dbraw/zinc/51/02/86/344510286.db2.gz ODLCJIUUZIQMHB-OPRDCNLKSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@@]2(O)CC[NH2+]C2)C1 226701060 344510508 /nfs/dbraw/zinc/51/05/08/344510508.db2.gz ODLCJIUUZIQMHB-KXUCPTDWSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@@H]1CCN([C@H](C)C[NH3+])C1 226756348 344512729 /nfs/dbraw/zinc/51/27/29/344512729.db2.gz IUEQVKOJLHOIID-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CCNC(=[NH2+])N[C@@H]1CCN(C)[C@@H](C)C1 226876118 344516310 /nfs/dbraw/zinc/51/63/10/344516310.db2.gz DTDUZNQHOWCDIB-DTWKUNHWSA-N 1 3 198.314 0.603 10 0 ACAEHO CCNC(=[NH2+])N[C@H]1CCN(C)[C@@H](C)C1 226876130 344516550 /nfs/dbraw/zinc/51/65/50/344516550.db2.gz DTDUZNQHOWCDIB-IUCAKERBSA-N 1 3 198.314 0.603 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CCC[C@@H](O)C1 227017011 344519810 /nfs/dbraw/zinc/51/98/10/344519810.db2.gz VFJRSUZRXGNNKV-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CCC[C@@H](O)C1 227017000 344519877 /nfs/dbraw/zinc/51/98/77/344519877.db2.gz VFJRSUZRXGNNKV-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](O)C1 227052499 344520286 /nfs/dbraw/zinc/52/02/86/344520286.db2.gz GLJGIMLLGUDPIX-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](O)C1 227052499 344520289 /nfs/dbraw/zinc/52/02/89/344520289.db2.gz GLJGIMLLGUDPIX-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 227052489 344520456 /nfs/dbraw/zinc/52/04/56/344520456.db2.gz GLJGIMLLGUDPIX-AEJSXWLSSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 227052489 344520458 /nfs/dbraw/zinc/52/04/58/344520458.db2.gz GLJGIMLLGUDPIX-AEJSXWLSSA-N 1 3 184.283 0.180 10 0 ACAEHO CC1(C)[C@H](NCC[NH3+])[C@@H]2CCO[C@H]21 227069889 344520829 /nfs/dbraw/zinc/52/08/29/344520829.db2.gz YSMMMGUVFAFNFC-DJLDLDEBSA-N 1 3 184.283 0.348 10 0 ACAEHO CC1(C)[C@H](NCC[NH3+])[C@H]2CCO[C@H]21 227069902 344520847 /nfs/dbraw/zinc/52/08/47/344520847.db2.gz YSMMMGUVFAFNFC-IWSPIJDZSA-N 1 3 184.283 0.348 10 0 ACAEHO [NH3+][C@@H]1CCCC[C@H]1CN1CC[C@@H](O)C1 227058955 344520902 /nfs/dbraw/zinc/52/09/02/344520902.db2.gz RJQQCEMKJJHDGN-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CC[C@@H](O)C1 227058584 344520921 /nfs/dbraw/zinc/52/09/21/344520921.db2.gz YNOPVXJGGGXHOF-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+][C@@H]1CCCC[C@@H]1CN1CC[C@@H](O)C1 227058944 344521032 /nfs/dbraw/zinc/52/10/32/344521032.db2.gz RJQQCEMKJJHDGN-GMTAPVOTSA-N 1 3 198.310 0.571 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 227056544 344521085 /nfs/dbraw/zinc/52/10/85/344521085.db2.gz PJTZPZJSZQTYRO-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](O)C1 227056544 344521087 /nfs/dbraw/zinc/52/10/87/344521087.db2.gz PJTZPZJSZQTYRO-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CC[C@@H](O)C1 227058599 344521135 /nfs/dbraw/zinc/52/11/35/344521135.db2.gz YNOPVXJGGGXHOF-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](O)C1 227056553 344521144 /nfs/dbraw/zinc/52/11/44/344521144.db2.gz PJTZPZJSZQTYRO-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](O)C1 227056553 344521146 /nfs/dbraw/zinc/52/11/46/344521146.db2.gz PJTZPZJSZQTYRO-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO CN1CCC[C@H](N2CCC[C@@H]([NH3+])C2)C1 227085888 344521248 /nfs/dbraw/zinc/52/12/48/344521248.db2.gz PYCUFIFWWSQATA-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@H](N)C1 227084096 344521346 /nfs/dbraw/zinc/52/13/46/344521346.db2.gz QACMLFAYINRDJJ-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@H](N)C1 227084096 344521348 /nfs/dbraw/zinc/52/13/48/344521348.db2.gz QACMLFAYINRDJJ-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)O)CC[C@H]1[NH3+] 227072048 344521735 /nfs/dbraw/zinc/52/17/35/344521735.db2.gz SSLKGBHWCHZWPF-DJLDLDEBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@H]1[N@@H+]1CCC[C@@H](N)C1 227084101 344521812 /nfs/dbraw/zinc/52/18/12/344521812.db2.gz QACMLFAYINRDJJ-IWSPIJDZSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@H]1[N@H+]1CCC[C@@H](N)C1 227084101 344521814 /nfs/dbraw/zinc/52/18/14/344521814.db2.gz QACMLFAYINRDJJ-IWSPIJDZSA-N 1 3 154.257 0.818 10 0 ACAEHO CN1CCC[C@@H](N2CCC[C@@H]([NH3+])C2)C1 227085893 344521829 /nfs/dbraw/zinc/52/18/29/344521829.db2.gz PYCUFIFWWSQATA-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1CC[C@@H](C)[C@@H]1C[NH3+] 227109813 344523561 /nfs/dbraw/zinc/52/35/61/344523561.db2.gz PXFZCYVKCYTNHK-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CCN1CC[C@H](C)[C@@H]1C[NH3+] 227109820 344523680 /nfs/dbraw/zinc/52/36/80/344523680.db2.gz PXFZCYVKCYTNHK-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CO[C@H](C)CN1CCC1C[NH2+]C1 227160116 344523836 /nfs/dbraw/zinc/52/38/36/344523836.db2.gz GJUQSDHOBRNBMU-VHSXEESVSA-N 1 3 198.310 0.705 10 0 ACAEHO C[C@H]1CN(CCC2C[NH2+]C2)[C@@H](C)CO1 227160122 344524006 /nfs/dbraw/zinc/52/40/06/344524006.db2.gz GJUQSDHOBRNBMU-UWVGGRQHSA-N 1 3 198.310 0.705 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@@H]2CCO[C@@H]2C)C1 227204338 344525160 /nfs/dbraw/zinc/52/51/60/344525160.db2.gz NSPSBXDUJSGFSR-LNFKQOIKSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1CN([C@H](C)C(N)=[NH2+])C[C@H]1N(C)C 227224290 344525380 /nfs/dbraw/zinc/52/53/80/344525380.db2.gz PFXTUJULTPPJRA-IWSPIJDZSA-N 1 3 198.314 0.193 10 0 ACAEHO C[C@H]1CC[N@H+](C2CC(N)C2)[C@@H]1CO 227216611 344525479 /nfs/dbraw/zinc/52/54/79/344525479.db2.gz ZVHNRNWVYQOORI-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CC(N)C2)[C@@H]1CO 227216611 344525482 /nfs/dbraw/zinc/52/54/82/344525482.db2.gz ZVHNRNWVYQOORI-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CCN(C2CC([NH3+])C2)[C@@H]1CO 227216611 344525485 /nfs/dbraw/zinc/52/54/85/344525485.db2.gz ZVHNRNWVYQOORI-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CCNCC2)[C@@H]1CO 227216535 344525492 /nfs/dbraw/zinc/52/54/92/344525492.db2.gz ZXFSOKQBGDKBGL-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CCNCC2)[C@@H]1CO 227216543 344525563 /nfs/dbraw/zinc/52/55/63/344525563.db2.gz ZXFSOKQBGDKBGL-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CC[N@H+](C2CCNCC2)[C@@H]1CO 227216543 344525565 /nfs/dbraw/zinc/52/55/65/344525565.db2.gz ZXFSOKQBGDKBGL-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CC(N)C2)[C@@H]1CO 227216602 344525667 /nfs/dbraw/zinc/52/56/67/344525667.db2.gz ZVHNRNWVYQOORI-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CC(N)C2)[C@@H]1CO 227216602 344525670 /nfs/dbraw/zinc/52/56/70/344525670.db2.gz ZVHNRNWVYQOORI-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CCN(C2CC([NH3+])C2)[C@@H]1CO 227216602 344525672 /nfs/dbraw/zinc/52/56/72/344525672.db2.gz ZVHNRNWVYQOORI-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 227211162 344525805 /nfs/dbraw/zinc/52/58/05/344525805.db2.gz RNCOWZBTPJOCJB-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1C[C@@H](N(C)C)[C@H](C)C1 227224302 344525932 /nfs/dbraw/zinc/52/59/32/344525932.db2.gz PFXTUJULTPPJRA-HRDYMLBCSA-N 1 3 198.314 0.193 10 0 ACAEHO O[C@@H]1CCN([C@@H]2CCC[NH2+]CC2)C1 227270809 344526775 /nfs/dbraw/zinc/52/67/75/344526775.db2.gz CJNSKCJCTDBSRP-NXEZZACHSA-N 1 3 184.283 0.195 10 0 ACAEHO O[C@@H]1CCCN([C@@H]2CCC[NH2+]CC2)C1 227269471 344526792 /nfs/dbraw/zinc/52/67/92/344526792.db2.gz ARNPOJJVEWFGMV-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@@H]1CC[N@@H+]([C@@H]2CCCNCC2)C1 227272453 344527232 /nfs/dbraw/zinc/52/72/32/344527232.db2.gz RYOKMZBCIMUKQD-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@@H]1CCN([C@@H]2CCC[NH2+]CC2)C1 227272453 344527237 /nfs/dbraw/zinc/52/72/37/344527237.db2.gz RYOKMZBCIMUKQD-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@@H](O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 227484916 344531422 /nfs/dbraw/zinc/53/14/22/344531422.db2.gz QBEHLNUVFAZNBX-KYXWUPHJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CCC[C@@H](CN)C1 227484646 344531402 /nfs/dbraw/zinc/53/14/02/344531402.db2.gz NEGIXHNQPCNKCR-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+]1CCC[C@@H](CN)C1 227484646 344531405 /nfs/dbraw/zinc/53/14/05/344531405.db2.gz NEGIXHNQPCNKCR-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@@H](C)N1CCC[C@@H](C[NH3+])C1 227484646 344531407 /nfs/dbraw/zinc/53/14/07/344531407.db2.gz NEGIXHNQPCNKCR-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 227484916 344531420 /nfs/dbraw/zinc/53/14/20/344531420.db2.gz QBEHLNUVFAZNBX-KYXWUPHJSA-N 1 3 186.299 0.425 10 0 ACAEHO CC(C)N1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 227484369 344531572 /nfs/dbraw/zinc/53/15/72/344531572.db2.gz OEUPITZLLMTSSE-LPEHRKFASA-N 1 3 168.284 0.935 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](CN)C1 227484661 344531681 /nfs/dbraw/zinc/53/16/81/344531681.db2.gz NEGIXHNQPCNKCR-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H](CN)C1 227484661 344531682 /nfs/dbraw/zinc/53/16/82/344531682.db2.gz NEGIXHNQPCNKCR-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@H](C)N1CCC[C@@H](C[NH3+])C1 227484661 344531684 /nfs/dbraw/zinc/53/16/84/344531684.db2.gz NEGIXHNQPCNKCR-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 227484922 344531705 /nfs/dbraw/zinc/53/17/05/344531705.db2.gz QBEHLNUVFAZNBX-IMSYWVGJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 227484922 344531706 /nfs/dbraw/zinc/53/17/06/344531706.db2.gz QBEHLNUVFAZNBX-IMSYWVGJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@]1(C[N@@H+]2CC[C@@H](N)C2)CCCO1 227487366 344531954 /nfs/dbraw/zinc/53/19/54/344531954.db2.gz RSGCVQPNDHVJGJ-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@]1(C[N@H+]2CC[C@@H](N)C2)CCCO1 227487366 344531955 /nfs/dbraw/zinc/53/19/55/344531955.db2.gz RSGCVQPNDHVJGJ-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@]1(CN2CC[C@@H](C[NH3+])C2)CCCO1 227488410 344532238 /nfs/dbraw/zinc/53/22/38/344532238.db2.gz TYQHDXCEXNUOTF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[N@@H+]2CC[C@@H](CN)C2)CCCO1 227488410 344532240 /nfs/dbraw/zinc/53/22/40/344532240.db2.gz TYQHDXCEXNUOTF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[N@H+]2CC[C@@H](CN)C2)CCCO1 227488410 344532241 /nfs/dbraw/zinc/53/22/41/344532241.db2.gz TYQHDXCEXNUOTF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN2CC[C@@H](C[NH3+])C2)CCCO1 227488416 344532294 /nfs/dbraw/zinc/53/22/94/344532294.db2.gz TYQHDXCEXNUOTF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(C[N@@H+]2CC[C@@H](CN)C2)CCCO1 227488416 344532296 /nfs/dbraw/zinc/53/22/96/344532296.db2.gz TYQHDXCEXNUOTF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO COCCN1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 227497613 344532689 /nfs/dbraw/zinc/53/26/89/344532689.db2.gz WAIWTZDBHPOPSF-LPEHRKFASA-N 1 3 184.283 0.173 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CC[C@H](O)C2)C1 227554074 344534378 /nfs/dbraw/zinc/53/43/78/344534378.db2.gz QWOPWNBJKYNFEM-WOOKNIGNSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CC[C@H](O)C2)C1 227554074 344534381 /nfs/dbraw/zinc/53/43/81/344534381.db2.gz QWOPWNBJKYNFEM-WOOKNIGNSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CC[C@@H](O)C2)C1 227554060 344534436 /nfs/dbraw/zinc/53/44/36/344534436.db2.gz QWOPWNBJKYNFEM-SEZDTBSWSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CC[C@@H](O)C2)C1 227554065 344534442 /nfs/dbraw/zinc/53/44/42/344534442.db2.gz QWOPWNBJKYNFEM-AUXWQGHOSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CC[C@@H](O)C2)C1 227554065 344534446 /nfs/dbraw/zinc/53/44/46/344534446.db2.gz QWOPWNBJKYNFEM-AUXWQGHOSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CC[C@H](O)C2)C1 227554081 344534466 /nfs/dbraw/zinc/53/44/66/344534466.db2.gz QWOPWNBJKYNFEM-NFTFJBJSSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CC[C@H](O)C2)C1 227554081 344534469 /nfs/dbraw/zinc/53/44/69/344534469.db2.gz QWOPWNBJKYNFEM-NFTFJBJSSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCC[C@@H](O)C2)C1 227604039 344536390 /nfs/dbraw/zinc/53/63/90/344536390.db2.gz FBVQUMHBJNPIPA-AGVGLQIMSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCC[C@@H](O)C2)C1 227604039 344536393 /nfs/dbraw/zinc/53/63/93/344536393.db2.gz FBVQUMHBJNPIPA-AGVGLQIMSA-N 1 3 198.310 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCC[C@H](O)C2)C1 227604050 344536399 /nfs/dbraw/zinc/53/63/99/344536399.db2.gz FBVQUMHBJNPIPA-PMUOWJKOSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCC[C@H](O)C2)C1 227604050 344536402 /nfs/dbraw/zinc/53/64/02/344536402.db2.gz FBVQUMHBJNPIPA-PMUOWJKOSA-N 1 3 198.310 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCC[C@@H](O)C2)C1 227604042 344536626 /nfs/dbraw/zinc/53/66/26/344536626.db2.gz FBVQUMHBJNPIPA-IDWGSYCQSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCC[C@@H](O)C2)C1 227604042 344536628 /nfs/dbraw/zinc/53/66/28/344536628.db2.gz FBVQUMHBJNPIPA-IDWGSYCQSA-N 1 3 198.310 0.617 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCC[C@H](O)C2)C1 227604047 344536705 /nfs/dbraw/zinc/53/67/05/344536705.db2.gz FBVQUMHBJNPIPA-SFXRXQKFSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCC[C@H](O)C2)C1 227604047 344536706 /nfs/dbraw/zinc/53/67/06/344536706.db2.gz FBVQUMHBJNPIPA-SFXRXQKFSA-N 1 3 198.310 0.617 10 0 ACAEHO CN(C)CCNc1cc[nH+]c(N)c1 227649751 344542265 /nfs/dbraw/zinc/54/22/65/344542265.db2.gz WHJZKBNJAORBTM-UHFFFAOYSA-N 1 3 180.255 0.637 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1CCC[C@@H](N(C)C)C1 227654746 344542625 /nfs/dbraw/zinc/54/26/25/344542625.db2.gz XMAZLGIIPSTAKA-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO CN1CC[C@H](Nc2cc[nH+]c(N)c2)C1 227654652 344542724 /nfs/dbraw/zinc/54/27/24/344542724.db2.gz MAYQMOKKYBYQGX-VIFPVBQESA-N 1 3 192.266 0.780 10 0 ACAEHO C[C@H](C(N)=[NH2+])N1CCC[C@@H](N(C)C)C1 227654750 344542841 /nfs/dbraw/zinc/54/28/41/344542841.db2.gz XMAZLGIIPSTAKA-RKDXNWHRSA-N 1 3 198.314 0.337 10 0 ACAEHO CN1CC[C@@H](Nc2cc[nH+]c(N)c2)C1 227654649 344542887 /nfs/dbraw/zinc/54/28/87/344542887.db2.gz MAYQMOKKYBYQGX-SECBINFHSA-N 1 3 192.266 0.780 10 0 ACAEHO CNc1cc(N2CCNCC2)cc[nH+]1 227661851 344543097 /nfs/dbraw/zinc/54/30/97/344543097.db2.gz LQKOOVDVHHTTTG-UHFFFAOYSA-N 1 3 192.266 0.533 10 0 ACAEHO CC[N@@H+]1C[C@H](C)C[C@@H](N)C1 227677894 344543777 /nfs/dbraw/zinc/54/37/77/344543777.db2.gz MMUFRYYUQCJSFE-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1C[C@H](C)C[C@@H](N)C1 227677894 344543780 /nfs/dbraw/zinc/54/37/80/344543780.db2.gz MMUFRYYUQCJSFE-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)C[C@@H](N)C1 227677889 344543947 /nfs/dbraw/zinc/54/39/47/344543947.db2.gz MMUFRYYUQCJSFE-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1C[C@@H](C)C[C@@H](N)C1 227677889 344543949 /nfs/dbraw/zinc/54/39/49/344543949.db2.gz MMUFRYYUQCJSFE-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C)CCNc1cc[nH+]c(NN)c1 227682302 344544197 /nfs/dbraw/zinc/54/41/97/344544197.db2.gz OPCZMRNPIGNNPT-UHFFFAOYSA-N 1 3 195.270 0.341 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H](N)C1 227687322 344545034 /nfs/dbraw/zinc/54/50/34/344545034.db2.gz XYTNXGHAWKZPPE-XHNCKOQMSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H](N)C1 227687322 344545035 /nfs/dbraw/zinc/54/50/35/344545035.db2.gz XYTNXGHAWKZPPE-XHNCKOQMSA-N 1 3 172.272 0.036 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@@H]1CCCC[C@@H]1O 227706197 344545389 /nfs/dbraw/zinc/54/53/89/344545389.db2.gz SEVOGRQUTZBEBL-AXFHLTTASA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@H](O)[C@H](C)N1CC[C@@H]([NH3+])C[C@@H]1C 227709403 344545580 /nfs/dbraw/zinc/54/55/80/344545580.db2.gz NGLBFZBGMPCACM-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@@H]1CCC[C@@H]1O 227706366 344545617 /nfs/dbraw/zinc/54/56/17/344545617.db2.gz JIKJIRUCZXZDPK-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@H]1CC(N2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 227793063 344547800 /nfs/dbraw/zinc/54/78/00/344547800.db2.gz IDYDJFMUFXPELR-OPRDCNLKSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@@](C)(O)C[NH3+])C1 227906225 344550036 /nfs/dbraw/zinc/55/00/36/344550036.db2.gz GTQIMDMWUZDELL-VGMNWLOBSA-N 1 3 172.272 0.084 10 0 ACAEHO NC[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@H]21 227966055 344553517 /nfs/dbraw/zinc/55/35/17/344553517.db2.gz AAUNLKBQULIAIT-GARJFASQSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H](O)C[N@H+]1CC[C@@H]2CCCC[C@H]21 227966055 344553519 /nfs/dbraw/zinc/55/35/19/344553519.db2.gz AAUNLKBQULIAIT-GARJFASQSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 228002996 344554526 /nfs/dbraw/zinc/55/45/26/344554526.db2.gz FFENJVBOTNQREN-BBBLOLIVSA-N 1 3 184.283 0.038 10 0 ACAEHO C[C@H](O)CC[N@@H+]1C[C@@H](C)C[C@@H](N)C1 227999030 344554567 /nfs/dbraw/zinc/55/45/67/344554567.db2.gz KXXROXMITURUIC-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CC[N@H+]1C[C@@H](C)C[C@@H](N)C1 227999030 344554570 /nfs/dbraw/zinc/55/45/70/344554570.db2.gz KXXROXMITURUIC-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO NC[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]2C1 228002985 344554743 /nfs/dbraw/zinc/55/47/43/344554743.db2.gz FFENJVBOTNQREN-AEJSXWLSSA-N 1 3 184.283 0.038 10 0 ACAEHO NC[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]2C1 228002985 344554746 /nfs/dbraw/zinc/55/47/46/344554746.db2.gz FFENJVBOTNQREN-AEJSXWLSSA-N 1 3 184.283 0.038 10 0 ACAEHO C[C@H](CCN)[N@H+]1C[C@H]2[C@H](O)CC[C@H]2C1 228021393 344555132 /nfs/dbraw/zinc/55/51/32/344555132.db2.gz LLJGDXBXTUZCMK-LMLFDSFASA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C 228080753 344557046 /nfs/dbraw/zinc/55/70/46/344557046.db2.gz RJTAPIHLBSBDQF-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1CC(N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 228055122 344556406 /nfs/dbraw/zinc/55/64/06/344556406.db2.gz IDYDJFMUFXPELR-LPEHRKFASA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C 228080753 344557047 /nfs/dbraw/zinc/55/70/47/344557047.db2.gz RJTAPIHLBSBDQF-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@@H](CN)C[C@@H]1C 228078064 344557042 /nfs/dbraw/zinc/55/70/42/344557042.db2.gz ZEHHPLAIVDMEIG-XHNCKOQMSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@@H](CN)C[C@@H]1C 228078064 344557043 /nfs/dbraw/zinc/55/70/43/344557043.db2.gz ZEHHPLAIVDMEIG-XHNCKOQMSA-N 1 3 172.272 0.036 10 0 ACAEHO CN1CCN(C)[C@@H](C[C@@H]([NH3+])C2CC2)C1 228097779 344557607 /nfs/dbraw/zinc/55/76/07/344557607.db2.gz BCDKOOLEARGUJB-WDEREUQCSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@@H+]1C[C@@H](CN)C[C@@H]1C 228147656 344558341 /nfs/dbraw/zinc/55/83/41/344558341.db2.gz RHNWCHARRYFJFU-MMWGEVLESA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@H+]1C[C@@H](CN)C[C@@H]1C 228147656 344558343 /nfs/dbraw/zinc/55/83/43/344558343.db2.gz RHNWCHARRYFJFU-MMWGEVLESA-N 1 3 198.310 0.833 10 0 ACAEHO CC[NH2+][C@]1(CN)CCN2CCCC[C@H]21 228255010 344560645 /nfs/dbraw/zinc/56/06/45/344560645.db2.gz NMRMAJWZYZJQHL-QWRGUYRKSA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@]1(CN)CC[N@@H+]2CCCC[C@H]21 228255010 344560648 /nfs/dbraw/zinc/56/06/48/344560648.db2.gz NMRMAJWZYZJQHL-QWRGUYRKSA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@]1(CN)CC[N@H+]2CCCC[C@H]21 228255010 344560649 /nfs/dbraw/zinc/56/06/49/344560649.db2.gz NMRMAJWZYZJQHL-QWRGUYRKSA-N 1 3 197.326 0.552 10 0 ACAEHO CC[NH2+][C@@]1(CN)CCN2CCCC[C@H]21 228255001 344560700 /nfs/dbraw/zinc/56/07/00/344560700.db2.gz NMRMAJWZYZJQHL-WDEREUQCSA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@@]1(CN)CC[N@@H+]2CCCC[C@H]21 228255001 344560703 /nfs/dbraw/zinc/56/07/03/344560703.db2.gz NMRMAJWZYZJQHL-WDEREUQCSA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@@]1(CN)CC[N@H+]2CCCC[C@H]21 228255001 344560705 /nfs/dbraw/zinc/56/07/05/344560705.db2.gz NMRMAJWZYZJQHL-WDEREUQCSA-N 1 3 197.326 0.552 10 0 ACAEHO CN[C@@]1(CN)CC[N@@H+]2CCCC[C@H]21 228254981 344560718 /nfs/dbraw/zinc/56/07/18/344560718.db2.gz RTLRVOWQWSSBTK-VHSXEESVSA-N 1 3 183.299 0.162 10 0 ACAEHO CN[C@@]1(CN)CC[N@H+]2CCCC[C@H]21 228254981 344560722 /nfs/dbraw/zinc/56/07/22/344560722.db2.gz RTLRVOWQWSSBTK-VHSXEESVSA-N 1 3 183.299 0.162 10 0 ACAEHO C[NH2+][C@@]1(CN)CCN2CCCC[C@H]21 228254981 344560723 /nfs/dbraw/zinc/56/07/23/344560723.db2.gz RTLRVOWQWSSBTK-VHSXEESVSA-N 1 3 183.299 0.162 10 0 ACAEHO CN[C@]1(CN)CC[N@@H+]2CCCC[C@H]21 228254991 344560841 /nfs/dbraw/zinc/56/08/41/344560841.db2.gz RTLRVOWQWSSBTK-UWVGGRQHSA-N 1 3 183.299 0.162 10 0 ACAEHO CN[C@]1(CN)CC[N@H+]2CCCC[C@H]21 228254991 344560843 /nfs/dbraw/zinc/56/08/43/344560843.db2.gz RTLRVOWQWSSBTK-UWVGGRQHSA-N 1 3 183.299 0.162 10 0 ACAEHO C[NH2+][C@]1(CN)CCN2CCCC[C@H]21 228254991 344560845 /nfs/dbraw/zinc/56/08/45/344560845.db2.gz RTLRVOWQWSSBTK-UWVGGRQHSA-N 1 3 183.299 0.162 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN1CCCN(C)CC1 228592793 344564272 /nfs/dbraw/zinc/56/42/72/344564272.db2.gz KZONLEQOYDDPIW-QWRGUYRKSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN1CCCOCC1 228598937 344564305 /nfs/dbraw/zinc/56/43/05/344564305.db2.gz NFBBUIFNCDUMNG-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN1CCCOCC1 228598930 344564415 /nfs/dbraw/zinc/56/44/15/344564415.db2.gz NFBBUIFNCDUMNG-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN1CCCN(C)CC1 228592799 344564487 /nfs/dbraw/zinc/56/44/87/344564487.db2.gz KZONLEQOYDDPIW-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCNCC[C@@H]1C 228616655 344564887 /nfs/dbraw/zinc/56/48/87/344564887.db2.gz XOUSDIQSFKMBIT-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCNCC[C@@H]1C 228616655 344564889 /nfs/dbraw/zinc/56/48/89/344564889.db2.gz XOUSDIQSFKMBIT-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCCN[C@@H](C)C1 228616322 344565059 /nfs/dbraw/zinc/56/50/59/344565059.db2.gz WPYVRNYZZIUEIX-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCCN[C@@H](C)C1 228616322 344565061 /nfs/dbraw/zinc/56/50/61/344565061.db2.gz WPYVRNYZZIUEIX-UWVGGRQHSA-N 1 3 186.299 0.705 10 0 ACAEHO CN1CCCN(C[C@H]2CCC[NH2+]2)CC1 228785697 344568541 /nfs/dbraw/zinc/56/85/41/344568541.db2.gz SAZAFLDYPPSTKA-LLVKDONJSA-N 1 3 197.326 0.376 10 0 ACAEHO CN1CC[C@@H](N(C)C[C@H]2CCC[NH2+]2)C1 228785394 344568580 /nfs/dbraw/zinc/56/85/80/344568580.db2.gz OQRBFXRCCXFKJK-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CC[C@@H](N(C)C[C@@H]2CCC[NH2+]2)C1 228785382 344568683 /nfs/dbraw/zinc/56/86/83/344568683.db2.gz OQRBFXRCCXFKJK-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]1CN([C@H](C)C[NH3+])C[C@H](C)N1C 228798529 344569076 /nfs/dbraw/zinc/56/90/76/344569076.db2.gz HYGCDQVWRVVDQC-UTLUCORTSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H]1CN([C@H](C)C[NH3+])C[C@@H](C)N1C 228798517 344569148 /nfs/dbraw/zinc/56/91/48/344569148.db2.gz HYGCDQVWRVVDQC-BBBLOLIVSA-N 1 3 185.315 0.358 10 0 ACAEHO C[NH2+][C@@H](C)CN1C[C@H](C)N(C)[C@H](C)C1 228807033 344569167 /nfs/dbraw/zinc/56/91/67/344569167.db2.gz ICCWTJJACUXYFE-GARJFASQSA-N 1 3 199.342 0.619 10 0 ACAEHO C[C@H]1CN([C@H](C)C(N)=[NH2+])C[C@@H](C)N1C 228813423 344569251 /nfs/dbraw/zinc/56/92/51/344569251.db2.gz JIBNPGVWHKFWTE-HRDYMLBCSA-N 1 3 198.314 0.335 10 0 ACAEHO CC1([N@H+]2CC[C@H](CN)C2)CC1 228868695 344572143 /nfs/dbraw/zinc/57/21/43/344572143.db2.gz GRSKSTCBTVDIHS-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(NC[C@H]2CC[NH2+]C2)CC1 228871573 344572103 /nfs/dbraw/zinc/57/21/03/344572103.db2.gz YSNUXRWQKZLXRV-QMMMGPOBSA-N 1 3 154.257 0.738 10 0 ACAEHO CC1([N@@H+]2CC[C@H](CN)C2)CC1 228868695 344572141 /nfs/dbraw/zinc/57/21/41/344572141.db2.gz GRSKSTCBTVDIHS-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(NC[C@@H]2CC[NH2+]C2)CC1 228871563 344572192 /nfs/dbraw/zinc/57/21/92/344572192.db2.gz YSNUXRWQKZLXRV-MRVPVSSYSA-N 1 3 154.257 0.738 10 0 ACAEHO CC1(N2CC[C@@H]([NH3+])C2)CCC1 228868365 344572305 /nfs/dbraw/zinc/57/23/05/344572305.db2.gz RGEYBIWMJZPQNT-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO CC1(N2CCC([NH3+])CC2)CC1 228867559 344572375 /nfs/dbraw/zinc/57/23/75/344572375.db2.gz BEXWLBDRXSUBRS-UHFFFAOYSA-N 1 3 154.257 0.962 10 0 ACAEHO CC1([N@@H+]2CC[C@@H](CN)C2)CC1 228868680 344572438 /nfs/dbraw/zinc/57/24/38/344572438.db2.gz GRSKSTCBTVDIHS-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1([N@H+]2CC[C@@H](CN)C2)CC1 228868680 344572440 /nfs/dbraw/zinc/57/24/40/344572440.db2.gz GRSKSTCBTVDIHS-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(N2CC[C@H]([NH3+])C2)CCC1 228868381 344572490 /nfs/dbraw/zinc/57/24/90/344572490.db2.gz RGEYBIWMJZPQNT-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CC1(NCC2([NH3+])CCOCC2)CC1 228872274 344572791 /nfs/dbraw/zinc/57/27/91/344572791.db2.gz NLBUDYQGCLCTGC-UHFFFAOYSA-N 1 3 184.283 0.636 10 0 ACAEHO C[C@@H]([NH3+])CNC1(C)CC1 228874077 344572799 /nfs/dbraw/zinc/57/27/99/344572799.db2.gz WHIZEXTXJJOGJY-ZCFIWIBFSA-N 1 3 128.219 0.476 10 0 ACAEHO CC(C)([NH3+])CNC1(C)CC1 228875915 344572820 /nfs/dbraw/zinc/57/28/20/344572820.db2.gz CCLCQNHWWMUBCF-UHFFFAOYSA-N 1 3 142.246 0.866 10 0 ACAEHO CC1([NH2+]CC2CNC2)CCC1 228881324 344572827 /nfs/dbraw/zinc/57/28/27/344572827.db2.gz YRQZTALEDHNEHX-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO CC1(NCC2C[NH2+]C2)CCC1 228881324 344572829 /nfs/dbraw/zinc/57/28/29/344572829.db2.gz YRQZTALEDHNEHX-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CNC1(C)CC1 228876075 344572863 /nfs/dbraw/zinc/57/28/63/344572863.db2.gz WDUFFMAUJSRPEG-RKDXNWHRSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]([NH3+])CNC1(C)CC1 228874086 344572885 /nfs/dbraw/zinc/57/28/85/344572885.db2.gz WHIZEXTXJJOGJY-LURJTMIESA-N 1 3 128.219 0.476 10 0 ACAEHO CC1(NCC[NH3+])CC1 228873900 344572895 /nfs/dbraw/zinc/57/28/95/344572895.db2.gz JYBPSYZQIGQVOE-UHFFFAOYSA-N 1 3 114.192 0.087 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1CNC1(C)CC1 228876088 344572920 /nfs/dbraw/zinc/57/29/20/344572920.db2.gz WDUFFMAUJSRPEG-DTWKUNHWSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(NCC2C[NH2+]C2)CC1 228876023 344572999 /nfs/dbraw/zinc/57/29/99/344572999.db2.gz NLPQIKIORUJKIM-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO CC1([NH2+]CC2CNC2)CC1 228876023 344573001 /nfs/dbraw/zinc/57/30/01/344573001.db2.gz NLPQIKIORUJKIM-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO CC1(NCC2([NH3+])CC2)CC1 228875424 344573007 /nfs/dbraw/zinc/57/30/07/344573007.db2.gz FZDWAUOATRBGLF-UHFFFAOYSA-N 1 3 140.230 0.620 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CNC1(C)CC1 228876097 344573019 /nfs/dbraw/zinc/57/30/19/344573019.db2.gz WDUFFMAUJSRPEG-BDAKNGLRSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1CNC1(C)CC1 228876107 344573062 /nfs/dbraw/zinc/57/30/62/344573062.db2.gz WDUFFMAUJSRPEG-IUCAKERBSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1([N@@H+]2CCC[C@H](N)C2)CC1 228927805 344576036 /nfs/dbraw/zinc/57/60/36/344576036.db2.gz HLPJXZUEQPHMKD-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CC1([N@H+]2CCC[C@H](N)C2)CC1 228927805 344576037 /nfs/dbraw/zinc/57/60/37/344576037.db2.gz HLPJXZUEQPHMKD-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CC1([N@@H+]2CCC[C@@H](N)C2)CC1 228927789 344576452 /nfs/dbraw/zinc/57/64/52/344576452.db2.gz HLPJXZUEQPHMKD-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO CC1([N@H+]2CCC[C@@H](N)C2)CC1 228927789 344576455 /nfs/dbraw/zinc/57/64/55/344576455.db2.gz HLPJXZUEQPHMKD-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@H](CN2CC=CCC2)O1 229104679 344581999 /nfs/dbraw/zinc/58/19/99/344581999.db2.gz BNXXKCNKRHZYFU-WDEREUQCSA-N 1 3 196.294 0.755 10 0 ACAEHO N[C@@H]1COC[C@@H]1C[N@H+]1CC=CCC1 229105425 344582417 /nfs/dbraw/zinc/58/24/17/344582417.db2.gz RQENKUZJVAGRBI-VHSXEESVSA-N 1 3 182.267 0.222 10 0 ACAEHO N[C@@H]1COC[C@@H]1C[N@@H+]1CC=CCC1 229105425 344582419 /nfs/dbraw/zinc/58/24/19/344582419.db2.gz RQENKUZJVAGRBI-VHSXEESVSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+][C@@H]1COC[C@@H]1CN1CC=CCC1 229105425 344582421 /nfs/dbraw/zinc/58/24/21/344582421.db2.gz RQENKUZJVAGRBI-VHSXEESVSA-N 1 3 182.267 0.222 10 0 ACAEHO N[C@@H]1COC[C@H]1C[N@H+]1CC=CCC1 229105436 344582652 /nfs/dbraw/zinc/58/26/52/344582652.db2.gz RQENKUZJVAGRBI-NXEZZACHSA-N 1 3 182.267 0.222 10 0 ACAEHO N[C@@H]1COC[C@H]1C[N@@H+]1CC=CCC1 229105436 344582653 /nfs/dbraw/zinc/58/26/53/344582653.db2.gz RQENKUZJVAGRBI-NXEZZACHSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+][C@@H]1COC[C@H]1CN1CC=CCC1 229105436 344582654 /nfs/dbraw/zinc/58/26/54/344582654.db2.gz RQENKUZJVAGRBI-NXEZZACHSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@@H]1N1CC=CCC1 229123334 344582997 /nfs/dbraw/zinc/58/29/97/344582997.db2.gz BKYAUMQIJUFJCQ-UWVGGRQHSA-N 1 3 166.268 0.986 10 0 ACAEHO [NH3+]C[C@@H]1CC[C@H]1N1CC=CCC1 229123344 344583172 /nfs/dbraw/zinc/58/31/72/344583172.db2.gz BKYAUMQIJUFJCQ-VHSXEESVSA-N 1 3 166.268 0.986 10 0 ACAEHO CO[C@H](C)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 229407591 344594094 /nfs/dbraw/zinc/59/40/94/344594094.db2.gz FTUUBZGEDOIOLL-DBIOUOCHSA-N 1 3 198.310 0.561 10 0 ACAEHO CO[C@@H](C)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 229407581 344594141 /nfs/dbraw/zinc/59/41/41/344594141.db2.gz FTUUBZGEDOIOLL-YTWAJWBKSA-N 1 3 198.310 0.561 10 0 ACAEHO CO[C@@H](C)[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1 229407601 344594378 /nfs/dbraw/zinc/59/43/78/344594378.db2.gz FTUUBZGEDOIOLL-XWLWVQCSSA-N 1 3 198.310 0.561 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@]1(C)CCOC1 229473761 344596809 /nfs/dbraw/zinc/59/68/09/344596809.db2.gz CKPFXUVNGIERNX-VWYCJHECSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@]1(NC[C@H]2CCC[C@@H]2[NH3+])CCOC1 229471300 344596829 /nfs/dbraw/zinc/59/68/29/344596829.db2.gz DHEPTDDQJCUOSD-VWYCJHECSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@]1(C)CCOC1 229467439 344596986 /nfs/dbraw/zinc/59/69/86/344596986.db2.gz XIVTWHKRMSJGTD-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@]1(N2CC[C@@H](C[NH3+])C2)CCOC1 229468001 344597033 /nfs/dbraw/zinc/59/70/33/344597033.db2.gz GPHJPCICSBRVMP-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@]1([N@@H+]2CC[C@@H](CN)C2)CCOC1 229468001 344597036 /nfs/dbraw/zinc/59/70/36/344597036.db2.gz GPHJPCICSBRVMP-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@]1([N@H+]2CC[C@@H](CN)C2)CCOC1 229468001 344597040 /nfs/dbraw/zinc/59/70/40/344597040.db2.gz GPHJPCICSBRVMP-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@]2(C)CCOC2)CCN1 229488982 344598044 /nfs/dbraw/zinc/59/80/44/344598044.db2.gz BBQTYIDGTZFHNZ-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@]2(C)CCOC2)CCN1 229488982 344598046 /nfs/dbraw/zinc/59/80/46/344598046.db2.gz BBQTYIDGTZFHNZ-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CC[N@@H+]([C@@]2(C)CCOC2)CCN1 229488989 344598055 /nfs/dbraw/zinc/59/80/55/344598055.db2.gz BBQTYIDGTZFHNZ-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CC[N@H+]([C@@]2(C)CCOC2)CCN1 229488989 344598057 /nfs/dbraw/zinc/59/80/57/344598057.db2.gz BBQTYIDGTZFHNZ-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO CC(C)N[C@]1(CO)CC[NH2+]C[C@H]1C 229564545 344604840 /nfs/dbraw/zinc/60/48/40/344604840.db2.gz XFEQSODYGCUOEB-ZJUUUORDSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)N[C@@]1(CO)CC[NH2+]C[C@H]1C 229564535 344604938 /nfs/dbraw/zinc/60/49/38/344604938.db2.gz XFEQSODYGCUOEB-NXEZZACHSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)N[C@@]1(CO)CC[NH2+]C[C@@H]1C 229564518 344605197 /nfs/dbraw/zinc/60/51/97/344605197.db2.gz XFEQSODYGCUOEB-VHSXEESVSA-N 1 3 186.299 0.345 10 0 ACAEHO CCNC(=[NH2+])N[C@@H]1CCN(C)C[C@@H]1C 229630791 344608040 /nfs/dbraw/zinc/60/80/40/344608040.db2.gz OQOJNMODDZDSSV-DTWKUNHWSA-N 1 3 198.314 0.460 10 0 ACAEHO CCNC(=[NH2+])N[C@H]1CCN(C)C[C@@H]1C 229630806 344608390 /nfs/dbraw/zinc/60/83/90/344608390.db2.gz OQOJNMODDZDSSV-IUCAKERBSA-N 1 3 198.314 0.460 10 0 ACAEHO C[C@H]([C@H]1CCOC1)N1CC[C@@H]([NH3+])C1 229655444 344609108 /nfs/dbraw/zinc/60/91/08/344609108.db2.gz DQTXXOMMAWQPPH-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]([C@@H]1CCOC1)N1CC[C@@H]([NH3+])C1 229655426 344609359 /nfs/dbraw/zinc/60/93/59/344609359.db2.gz DQTXXOMMAWQPPH-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO CC(=[NH2+])N[C@H]1CCN(C)C[C@@H]1C 229670784 344610453 /nfs/dbraw/zinc/61/04/53/344610453.db2.gz XHFCCKUPPWKGKR-CBAPKCEASA-N 1 3 169.272 0.913 10 0 ACAEHO CC(=[NH2+])N[C@H]1CCN(C)C[C@H]1C 229670772 344610504 /nfs/dbraw/zinc/61/05/04/344610504.db2.gz XHFCCKUPPWKGKR-APPZFPTMSA-N 1 3 169.272 0.913 10 0 ACAEHO CC[C@H]1CCC[C@@]1(N)C[NH3+] 229682316 344611213 /nfs/dbraw/zinc/61/12/13/344611213.db2.gz VSNADHSODYLDBK-JGVFFNPUSA-N 1 3 142.246 0.853 10 0 ACAEHO CC[C@@H]1CCC[C@]1(N)C[NH3+] 229682323 344611272 /nfs/dbraw/zinc/61/12/72/344611272.db2.gz VSNADHSODYLDBK-SFYZADRCSA-N 1 3 142.246 0.853 10 0 ACAEHO CC[C@@H]1CCC[C@@]1(N)C[NH3+] 229682308 344611295 /nfs/dbraw/zinc/61/12/95/344611295.db2.gz VSNADHSODYLDBK-HTQZYQBOSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@](N)(C[NH3+])CC1CCC1 229707338 344612236 /nfs/dbraw/zinc/61/22/36/344612236.db2.gz XHECTBYOROHOSW-MRVPVSSYSA-N 1 3 142.246 0.853 10 0 ACAEHO CC1([N@@H+]2CC[C@H](CN)C2)CCOCC1 229905245 344619696 /nfs/dbraw/zinc/61/96/96/344619696.db2.gz PAZNLOGRDZPHPI-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CC1([N@H+]2CC[C@H](CN)C2)CCOCC1 229905245 344619697 /nfs/dbraw/zinc/61/96/97/344619697.db2.gz PAZNLOGRDZPHPI-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CC1(N2CC[C@H]([NH3+])C2)CCOCC1 229904751 344619783 /nfs/dbraw/zinc/61/97/83/344619783.db2.gz HSAXFXJRYVMGSH-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO CC1(N2CC[C@@H]([NH3+])C2)CCOCC1 229904741 344619831 /nfs/dbraw/zinc/61/98/31/344619831.db2.gz HSAXFXJRYVMGSH-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO CC1([N@H+]2CC[C@@H](CN)C2)CCOCC1 229905239 344619849 /nfs/dbraw/zinc/61/98/49/344619849.db2.gz PAZNLOGRDZPHPI-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CC(=[NH2+])N[C@@H]1CCN(C)C[C@@H]1C 229930913 344620692 /nfs/dbraw/zinc/62/06/92/344620692.db2.gz XHFCCKUPPWKGKR-IONNQARKSA-N 1 3 169.272 0.913 10 0 ACAEHO C[C@H](CN1CC[C@@H](C)[C@@H](O)C1)C(N)=[NH2+] 230257297 344629948 /nfs/dbraw/zinc/62/99/48/344629948.db2.gz IICNQYRBMQSQMP-HLTSFMKQSA-N 1 3 199.298 0.261 10 0 ACAEHO C[C@@H]1CCN(CCC(N)=[NH2+])C[C@@H]1O 230257308 344630135 /nfs/dbraw/zinc/63/01/35/344630135.db2.gz KNCJLKZBWHIQSR-SFYZADRCSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H]1CCN(CCC(N)=[NH2+])C[C@@H]1O 230257312 344630187 /nfs/dbraw/zinc/63/01/87/344630187.db2.gz KNCJLKZBWHIQSR-YUMQZZPRSA-N 1 3 185.271 0.015 10 0 ACAEHO CO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2N)C1 230320687 344630787 /nfs/dbraw/zinc/63/07/87/344630787.db2.gz WSRUPLQLXZYEFM-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1CC[N@H+](C2CCNCC2)C[C@@H]1O 230360567 344631334 /nfs/dbraw/zinc/63/13/34/344631334.db2.gz IJFVNGLCFPULSX-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@]1(O)CCC[N@H+](CCCN)CC1 230347407 344631488 /nfs/dbraw/zinc/63/14/88/344631488.db2.gz DXOJNWPGODTMMN-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@@]1(O)CCC[N@@H+](CCCN)CC1 230347407 344631490 /nfs/dbraw/zinc/63/14/90/344631490.db2.gz DXOJNWPGODTMMN-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@@]1(O)CCCN(CCC[NH3+])CC1 230347407 344631491 /nfs/dbraw/zinc/63/14/91/344631491.db2.gz DXOJNWPGODTMMN-SNVBAGLBSA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@@H]1CCN(C2CC([NH3+])C2)C[C@@H]1O 230360512 344631508 /nfs/dbraw/zinc/63/15/08/344631508.db2.gz YRQXWVSQUKMJEN-WOOKNIGNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@]1(O)CCC[N@H+](CCCN)CC1 230347411 344631526 /nfs/dbraw/zinc/63/15/26/344631526.db2.gz DXOJNWPGODTMMN-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@]1(O)CCC[N@@H+](CCCN)CC1 230347411 344631528 /nfs/dbraw/zinc/63/15/28/344631528.db2.gz DXOJNWPGODTMMN-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@]1(O)CCCN(CCC[NH3+])CC1 230347411 344631531 /nfs/dbraw/zinc/63/15/31/344631531.db2.gz DXOJNWPGODTMMN-JTQLQIEISA-N 1 3 186.299 0.572 10 0 ACAEHO C[C@H]1CCN(C2CC([NH3+])C2)C[C@@H]1O 230360515 344631628 /nfs/dbraw/zinc/63/16/28/344631628.db2.gz YRQXWVSQUKMJEN-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CCN(C2CC[NH2+]CC2)C[C@@H]1O 230360565 344631565 /nfs/dbraw/zinc/63/15/65/344631565.db2.gz IJFVNGLCFPULSX-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CCNCC2)C[C@@H]1O 230360565 344631568 /nfs/dbraw/zinc/63/15/68/344631568.db2.gz IJFVNGLCFPULSX-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CCNCC2)C[C@@H]1O 230360565 344631569 /nfs/dbraw/zinc/63/15/69/344631569.db2.gz IJFVNGLCFPULSX-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@]1(O)CCC[N@@H+](C2CC(N)C2)CC1 230384363 344633352 /nfs/dbraw/zinc/63/33/52/344633352.db2.gz IKFZCZWPKYIZDF-ILDUYXDCSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@]1(O)CCC[N@H+](C2CC(N)C2)CC1 230384363 344633356 /nfs/dbraw/zinc/63/33/56/344633356.db2.gz IKFZCZWPKYIZDF-ILDUYXDCSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@]1(O)CCC[N@@H+](C2CC(N)C2)CC1 230384360 344633568 /nfs/dbraw/zinc/63/35/68/344633568.db2.gz IKFZCZWPKYIZDF-VQXHTEKXSA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@]1(O)CCC[N@H+](C2CC(N)C2)CC1 230384360 344633571 /nfs/dbraw/zinc/63/35/71/344633571.db2.gz IKFZCZWPKYIZDF-VQXHTEKXSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H]2O)C1 230645277 344638087 /nfs/dbraw/zinc/63/80/87/344638087.db2.gz XWJZXHANDMEXQY-UTLUCORTSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2O)C1 230645277 344638088 /nfs/dbraw/zinc/63/80/88/344638088.db2.gz XWJZXHANDMEXQY-UTLUCORTSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@]1([NH2+]CC2CC2)CCNC1 230737204 344641463 /nfs/dbraw/zinc/64/14/63/344641463.db2.gz BCSCDLIFOYXOAI-SECBINFHSA-N 1 3 154.257 0.738 10 0 ACAEHO CC(C)C[NH2+][C@@]1(C)CCNC1 230737041 344641553 /nfs/dbraw/zinc/64/15/53/344641553.db2.gz CMAFLEKJCHYJGZ-VIFPVBQESA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)C[NH2+][C@]1(C)CCNC1 230737044 344641594 /nfs/dbraw/zinc/64/15/94/344641594.db2.gz CMAFLEKJCHYJGZ-SECBINFHSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@]1([NH2+]CC2CC2)CCNC1 230737207 344641626 /nfs/dbraw/zinc/64/16/26/344641626.db2.gz BCSCDLIFOYXOAI-VIFPVBQESA-N 1 3 154.257 0.738 10 0 ACAEHO CC1=CCC[N@H+](CC2CNC2)C1 230821729 344643794 /nfs/dbraw/zinc/64/37/94/344643794.db2.gz FZZJXUOJDNZLMZ-UHFFFAOYSA-N 1 3 166.268 0.858 10 0 ACAEHO CC1=CCC[N@@H+](CC2CNC2)C1 230821729 344643795 /nfs/dbraw/zinc/64/37/95/344643795.db2.gz FZZJXUOJDNZLMZ-UHFFFAOYSA-N 1 3 166.268 0.858 10 0 ACAEHO CC1=CCCN(CCC[NH3+])C1 230825460 344643803 /nfs/dbraw/zinc/64/38/03/344643803.db2.gz BPPGAUVIJFEDJD-UHFFFAOYSA-N 1 3 154.257 0.987 10 0 ACAEHO N[C@@H]1CC[C@@H]2[NH2+]CC[C@@H]21 230840109 344644188 /nfs/dbraw/zinc/64/41/88/344644188.db2.gz QNTFOEUUBKURAU-QYNIQEEDSA-N 1 3 126.203 0.086 10 0 ACAEHO CC1=CCC[N@@H+](C[C@H](C)N)C1 230828339 344644373 /nfs/dbraw/zinc/64/43/73/344644373.db2.gz GDKJQCXHFANTNU-VIFPVBQESA-N 1 3 154.257 0.986 10 0 ACAEHO CC1=CCC[N@H+](C[C@H](C)N)C1 230828339 344644374 /nfs/dbraw/zinc/64/43/74/344644374.db2.gz GDKJQCXHFANTNU-VIFPVBQESA-N 1 3 154.257 0.986 10 0 ACAEHO CC1=CCC[N@@H+](C[C@@H](C)N)C1 230828306 344644401 /nfs/dbraw/zinc/64/44/01/344644401.db2.gz GDKJQCXHFANTNU-SECBINFHSA-N 1 3 154.257 0.986 10 0 ACAEHO CC1=CCC[N@H+](C[C@@H](C)N)C1 230828306 344644402 /nfs/dbraw/zinc/64/44/02/344644402.db2.gz GDKJQCXHFANTNU-SECBINFHSA-N 1 3 154.257 0.986 10 0 ACAEHO CCN1CC[C@@](C)(C[NH2+]C)C1 230903299 344644669 /nfs/dbraw/zinc/64/46/69/344644669.db2.gz CEOXUUBZYVHPON-VIFPVBQESA-N 1 3 156.273 0.938 10 0 ACAEHO CCN1CC[C@](C)(C[NH2+]C)C1 230903303 344644737 /nfs/dbraw/zinc/64/47/37/344644737.db2.gz CEOXUUBZYVHPON-SECBINFHSA-N 1 3 156.273 0.938 10 0 ACAEHO CC(C)N(C)C[C@H]1COCC[C@@H]1[NH3+] 231312015 344650460 /nfs/dbraw/zinc/65/04/60/344650460.db2.gz RLIOJABBQPUGTD-UWVGGRQHSA-N 1 3 186.299 0.690 10 0 ACAEHO CN(C[C@@H]1COCC[C@@H]1[NH3+])C1CC1 231314450 344650476 /nfs/dbraw/zinc/65/04/76/344650476.db2.gz LMUCXFNUHFBCIR-SCZZXKLOSA-N 1 3 184.283 0.444 10 0 ACAEHO CN(C[C@H]1COCC[C@@H]1[NH3+])C1CC1 231314454 344650502 /nfs/dbraw/zinc/65/05/02/344650502.db2.gz LMUCXFNUHFBCIR-WPRPVWTQSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@@H]2COCC[C@@H]2N)C1 231317433 344650534 /nfs/dbraw/zinc/65/05/34/344650534.db2.gz AHYATXMZTVFQGB-MXWKQRLJSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@@H]2COCC[C@@H]2N)C1 231317433 344650537 /nfs/dbraw/zinc/65/05/37/344650537.db2.gz AHYATXMZTVFQGB-MXWKQRLJSA-N 1 3 198.310 0.692 10 0 ACAEHO CC(C)N(C)C[C@@H]1COCC[C@@H]1[NH3+] 231312012 344650654 /nfs/dbraw/zinc/65/06/54/344650654.db2.gz RLIOJABBQPUGTD-ZJUUUORDSA-N 1 3 186.299 0.690 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N[C@@H]2CCSC2)C1 231347665 344651190 /nfs/dbraw/zinc/65/11/90/344651190.db2.gz JBWWXUZERIXQBU-HRDYMLBCSA-N 1 3 186.324 0.961 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCSC2)C1 231348361 344651447 /nfs/dbraw/zinc/65/14/47/344651447.db2.gz JUKZVRQQCAXFJK-ZUEIMRROSA-N 1 3 172.297 0.571 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N[C@@H]2CCSC2)C1 231347660 344651482 /nfs/dbraw/zinc/65/14/82/344651482.db2.gz JBWWXUZERIXQBU-IWSPIJDZSA-N 1 3 186.324 0.961 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCSC2)C1 231348365 344651496 /nfs/dbraw/zinc/65/14/96/344651496.db2.gz JUKZVRQQCAXFJK-WTIBDHCWSA-N 1 3 172.297 0.571 10 0 ACAEHO CC[C@H]1C[C@H]1[NH2+]C1CC(N)C1 234086159 344712206 /nfs/dbraw/zinc/71/22/06/344712206.db2.gz DLFICDBVWYKWPZ-DFAZKQQPSA-N 1 3 154.257 0.864 10 0 ACAEHO CC(C)C1CC(N)(C[NH3+])C1 232557284 344682669 /nfs/dbraw/zinc/68/26/69/344682669.db2.gz AHUWMESUCXQXGT-UHFFFAOYSA-N 1 3 142.246 0.709 10 0 ACAEHO CC(C)CN1C[C@H](C)[C@@H]([NH3+])C1 232578619 344683984 /nfs/dbraw/zinc/68/39/84/344683984.db2.gz QKJAQYWUAJHLAC-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)CN1C[C@@H](C)[C@@H]([NH3+])C1 232578013 344684097 /nfs/dbraw/zinc/68/40/97/344684097.db2.gz QKJAQYWUAJHLAC-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)NC1(C[NH3+])CC1 232648541 344686935 /nfs/dbraw/zinc/68/69/35/344686935.db2.gz DVINZQCUZDVNMQ-UHFFFAOYSA-N 1 3 128.219 0.476 10 0 ACAEHO CC1CC(N)(C[NH3+])C1 232781504 344690030 /nfs/dbraw/zinc/69/00/30/344690030.db2.gz ZFOBGONGDVDNOC-UHFFFAOYSA-N 1 3 114.192 0.073 10 0 ACAEHO CC1CC(CN)([N@H+](C)[C@H]2CCOC2)C1 232802018 344691237 /nfs/dbraw/zinc/69/12/37/344691237.db2.gz UQYMULFRXPUBAV-YVNMAJEFSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1CC(CN)([N@@H+](C)[C@H]2CCOC2)C1 232802018 344691238 /nfs/dbraw/zinc/69/12/38/344691238.db2.gz UQYMULFRXPUBAV-YVNMAJEFSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1CC(CN)([N@H+](C)[C@@H]2CCOC2)C1 232801391 344691307 /nfs/dbraw/zinc/69/13/07/344691307.db2.gz UQYMULFRXPUBAV-HSOILSAZSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1CC(CN)([N@@H+](C)[C@@H]2CCOC2)C1 232801391 344691310 /nfs/dbraw/zinc/69/13/10/344691310.db2.gz UQYMULFRXPUBAV-HSOILSAZSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1CC(C[NH3+])(NC2CC2)C1 232807583 344691876 /nfs/dbraw/zinc/69/18/76/344691876.db2.gz HZFREBANXHQODO-UHFFFAOYSA-N 1 3 154.257 0.866 10 0 ACAEHO CC1(C[NH2+]C2CC(N)C2)CCOCC1 232846910 344694448 /nfs/dbraw/zinc/69/44/48/344694448.db2.gz VCJRBTJPIBBGKE-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO CC1(CNC2CC([NH3+])C2)CCOCC1 232846910 344694451 /nfs/dbraw/zinc/69/44/51/344694451.db2.gz VCJRBTJPIBBGKE-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1SCC[C@@H]1NCC[NH3+] 235307031 344742750 /nfs/dbraw/zinc/74/27/50/344742750.db2.gz GJGNWJARLNZHKD-BQBZGAKWSA-N 1 3 160.286 0.429 10 0 ACAEHO CC1(C)C[C@H]1C[NH2+][C@H]1CCNC1 232921152 344696860 /nfs/dbraw/zinc/69/68/60/344696860.db2.gz FPTJYWHWGIYIQE-IUCAKERBSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(C)C[C@H]1C[NH2+][C@@H]1CCNC1 232916549 344697002 /nfs/dbraw/zinc/69/70/02/344697002.db2.gz FPTJYWHWGIYIQE-DTWKUNHWSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCNC1 232963169 344698037 /nfs/dbraw/zinc/69/80/37/344698037.db2.gz FPTJYWHWGIYIQE-BDAKNGLRSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(C[NH2+][C@@H]2CCNC2)CCOCC1 233023611 344698722 /nfs/dbraw/zinc/69/87/22/344698722.db2.gz QKFKHWMWUJIBHM-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO CCCN1C[C@@H](C)[C@@H]([NH3+])C1 233034726 344699090 /nfs/dbraw/zinc/69/90/90/344699090.db2.gz ZOTCWEZIVWSZKT-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CCCN1C[C@H](C)[C@@H]([NH3+])C1 233035068 344699243 /nfs/dbraw/zinc/69/92/43/344699243.db2.gz ZOTCWEZIVWSZKT-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CCN1CCN(C2(C[NH3+])CC2)C[C@@H]1C 233473930 344702119 /nfs/dbraw/zinc/70/21/19/344702119.db2.gz WJQMIOYNXUXHAD-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)C[C@@H]1C[NH2+]C[C@H]1C 233466560 344702294 /nfs/dbraw/zinc/70/22/94/344702294.db2.gz DCPUZKBSPYCZHX-BDAKNGLRSA-N 1 3 156.273 0.794 10 0 ACAEHO CCNC1(C[NH3+])CC1 233500647 344702650 /nfs/dbraw/zinc/70/26/50/344702650.db2.gz OOHKQTNXQBYZIU-UHFFFAOYSA-N 1 3 114.192 0.087 10 0 ACAEHO CCN[C@]1(C[NH3+])CCS[C@@H]1C 233638512 344703016 /nfs/dbraw/zinc/70/30/16/344703016.db2.gz DSDONLKXYSFBBW-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCS[C@H]1C 233576609 344703047 /nfs/dbraw/zinc/70/30/47/344703047.db2.gz DSDONLKXYSFBBW-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO CCN[C@@]1(C[NH3+])CCS[C@@H]1C 233576598 344703053 /nfs/dbraw/zinc/70/30/53/344703053.db2.gz DSDONLKXYSFBBW-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO CCN[C@]1(C[NH3+])CCS[C@H]1C 233638521 344703077 /nfs/dbraw/zinc/70/30/77/344703077.db2.gz DSDONLKXYSFBBW-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO CC[C@@H]1C[C@@H]1NC1CC([NH3+])C1 233948696 344708735 /nfs/dbraw/zinc/70/87/35/344708735.db2.gz DLFICDBVWYKWPZ-KHONBHQKSA-N 1 3 154.257 0.864 10 0 ACAEHO CC[C@@H]1C[C@@H]1[NH2+]C1CC(N)C1 233948696 344708737 /nfs/dbraw/zinc/70/87/37/344708737.db2.gz DLFICDBVWYKWPZ-KHONBHQKSA-N 1 3 154.257 0.864 10 0 ACAEHO CC[C@@H]1C[C@H]1NC1CC([NH3+])C1 233948706 344708761 /nfs/dbraw/zinc/70/87/61/344708761.db2.gz DLFICDBVWYKWPZ-MDVIFZSFSA-N 1 3 154.257 0.864 10 0 ACAEHO CC[C@@H]1C[C@H]1[NH2+]C1CC(N)C1 233948706 344708763 /nfs/dbraw/zinc/70/87/63/344708763.db2.gz DLFICDBVWYKWPZ-MDVIFZSFSA-N 1 3 154.257 0.864 10 0 ACAEHO CC[C@H]([NH3+])CN1CCCN(C)C[C@@H]1C 234021291 344710376 /nfs/dbraw/zinc/71/03/76/344710376.db2.gz BQHMNBCPSQVNCF-QWRGUYRKSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[C@H]1C[C@H]1NC1CC([NH3+])C1 234086159 344712203 /nfs/dbraw/zinc/71/22/03/344712203.db2.gz DLFICDBVWYKWPZ-DFAZKQQPSA-N 1 3 154.257 0.864 10 0 ACAEHO CC[C@H]1C[C@@H]1NC1CC([NH3+])C1 234094735 344712554 /nfs/dbraw/zinc/71/25/54/344712554.db2.gz DLFICDBVWYKWPZ-KRTGUUSXSA-N 1 3 154.257 0.864 10 0 ACAEHO CC[C@H]1C[C@@H]1[NH2+]C1CC(N)C1 234094735 344712556 /nfs/dbraw/zinc/71/25/56/344712556.db2.gz DLFICDBVWYKWPZ-KRTGUUSXSA-N 1 3 154.257 0.864 10 0 ACAEHO C[N@H+](C1CC1)C1(CN)CC1 234251447 344715945 /nfs/dbraw/zinc/71/59/45/344715945.db2.gz YKCLRVLMCDEZPC-UHFFFAOYSA-N 1 3 140.230 0.572 10 0 ACAEHO C[N@@H+](C1CC1)C1(CN)CC1 234251447 344715946 /nfs/dbraw/zinc/71/59/46/344715946.db2.gz YKCLRVLMCDEZPC-UHFFFAOYSA-N 1 3 140.230 0.572 10 0 ACAEHO CN(C[C@@H]1CCCCN1)C1=[NH+]CCN1 234299119 344716763 /nfs/dbraw/zinc/71/67/63/344716763.db2.gz SSKZYEATZIRSFP-VIFPVBQESA-N 1 3 196.298 0.020 10 0 ACAEHO CN(C[C@H]1CCCCN1)C1=[NH+]CCN1 234280968 344717022 /nfs/dbraw/zinc/71/70/22/344717022.db2.gz SSKZYEATZIRSFP-SECBINFHSA-N 1 3 196.298 0.020 10 0 ACAEHO CN1CCC(N(C)C2(C[NH3+])CC2)CC1 234322264 344717245 /nfs/dbraw/zinc/71/72/45/344717245.db2.gz IKGGWLJUDNYRJD-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@@H+]1CC[C@@H](Cn2ccnc2N)C1 234324019 344717302 /nfs/dbraw/zinc/71/73/02/344717302.db2.gz TYDSHPICWOWWKT-MRVPVSSYSA-N 1 3 180.255 0.417 10 0 ACAEHO C[N@H+]1CC[C@@H](Cn2ccnc2N)C1 234324019 344717303 /nfs/dbraw/zinc/71/73/03/344717303.db2.gz TYDSHPICWOWWKT-MRVPVSSYSA-N 1 3 180.255 0.417 10 0 ACAEHO CN1CCCN(C2(C[NH3+])CC2)CC1 234347951 344717858 /nfs/dbraw/zinc/71/78/58/344717858.db2.gz FFMBBRGUOMWGNA-UHFFFAOYSA-N 1 3 183.299 0.115 10 0 ACAEHO C[N@@H+]1CC[C@H](Cn2ccnc2N)C1 234354350 344718507 /nfs/dbraw/zinc/71/85/07/344718507.db2.gz TYDSHPICWOWWKT-QMMMGPOBSA-N 1 3 180.255 0.417 10 0 ACAEHO CNC1(C[NH3+])CC(C(C)C)C1 234354276 344718616 /nfs/dbraw/zinc/71/86/16/344718616.db2.gz PKGSDIKLXZZLMH-UHFFFAOYSA-N 1 3 156.273 0.969 10 0 ACAEHO CNC[C@@]1(C(C)C)CC[NH2+]C1 234396420 344719522 /nfs/dbraw/zinc/71/95/22/344719522.db2.gz YUJTUJYWIODYBC-VIFPVBQESA-N 1 3 156.273 0.842 10 0 ACAEHO CNC[C@]1(C(C)C)CC[NH2+]C1 234396225 344719823 /nfs/dbraw/zinc/71/98/23/344719823.db2.gz YUJTUJYWIODYBC-SECBINFHSA-N 1 3 156.273 0.842 10 0 ACAEHO CN[C@@]1(C[NH3+])CCS[C@H]1C 234454672 344721230 /nfs/dbraw/zinc/72/12/30/344721230.db2.gz INRMDKALDJIGIW-NKWVEPMBSA-N 1 3 160.286 0.429 10 0 ACAEHO CN[C@@]1(C[NH3+])CCS[C@@H]1C 234454639 344721361 /nfs/dbraw/zinc/72/13/61/344721361.db2.gz INRMDKALDJIGIW-RNFRBKRXSA-N 1 3 160.286 0.429 10 0 ACAEHO CN[C@]1(C[NH3+])CCS[C@@H]1C 234516941 344722182 /nfs/dbraw/zinc/72/21/82/344722182.db2.gz INRMDKALDJIGIW-RQJHMYQMSA-N 1 3 160.286 0.429 10 0 ACAEHO CN[C@]1(C[NH3+])CCS[C@H]1C 234516969 344722217 /nfs/dbraw/zinc/72/22/17/344722217.db2.gz INRMDKALDJIGIW-BQBZGAKWSA-N 1 3 160.286 0.429 10 0 ACAEHO COC1CC(C[NH3+])(N2CCC[C@H]2C)C1 234594299 344723274 /nfs/dbraw/zinc/72/32/74/344723274.db2.gz ALJIZCPWLFWSBE-KPPDAEKUSA-N 1 3 198.310 0.977 10 0 ACAEHO COC1CC(C[NH3+])(N2CCC[C@@H]2C)C1 234593892 344723320 /nfs/dbraw/zinc/72/33/20/344723320.db2.gz ALJIZCPWLFWSBE-WHXUTIOJSA-N 1 3 198.310 0.977 10 0 ACAEHO COC1CC([N@@H+]2CCCNCC2)C1 234609453 344724022 /nfs/dbraw/zinc/72/40/22/344724022.db2.gz GNKYMNSCYBKDPG-UHFFFAOYSA-N 1 3 184.283 0.459 10 0 ACAEHO COC1CC([N@H+]2CCCNCC2)C1 234609453 344724023 /nfs/dbraw/zinc/72/40/23/344724023.db2.gz GNKYMNSCYBKDPG-UHFFFAOYSA-N 1 3 184.283 0.459 10 0 ACAEHO COC1CC(N2CCC([NH3+])CC2)C1 234607993 344724054 /nfs/dbraw/zinc/72/40/54/344724054.db2.gz NPLVLJWMXSEXTC-UHFFFAOYSA-N 1 3 184.283 0.587 10 0 ACAEHO COC1CC([N@@H+]2CCNC[C@H](C)C2)C1 234613020 344724071 /nfs/dbraw/zinc/72/40/71/344724071.db2.gz ZWMIBOMOMBHMAW-WHXUTIOJSA-N 1 3 198.310 0.705 10 0 ACAEHO COC1CC([N@H+]2CCNC[C@H](C)C2)C1 234613020 344724072 /nfs/dbraw/zinc/72/40/72/344724072.db2.gz ZWMIBOMOMBHMAW-WHXUTIOJSA-N 1 3 198.310 0.705 10 0 ACAEHO COC1CC([N@@H+]2CCNC[C@@H](C)C2)C1 234612698 344724192 /nfs/dbraw/zinc/72/41/92/344724192.db2.gz ZWMIBOMOMBHMAW-KPPDAEKUSA-N 1 3 198.310 0.705 10 0 ACAEHO COC1CC([N@H+]2CCNC[C@@H](C)C2)C1 234612698 344724194 /nfs/dbraw/zinc/72/41/94/344724194.db2.gz ZWMIBOMOMBHMAW-KPPDAEKUSA-N 1 3 198.310 0.705 10 0 ACAEHO COC1CC([N@@H+]2CCCN[C@@H](C)C2)C1 234609747 344724199 /nfs/dbraw/zinc/72/41/99/344724199.db2.gz WTUUTVJYDAXBJF-WHXUTIOJSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@H+]2CCCN[C@@H](C)C2)C1 234609747 344724200 /nfs/dbraw/zinc/72/42/00/344724200.db2.gz WTUUTVJYDAXBJF-WHXUTIOJSA-N 1 3 198.310 0.848 10 0 ACAEHO COC1CC([N@@H+]2C[C@@H](CN)C[C@@H]2C)C1 234618500 344724565 /nfs/dbraw/zinc/72/45/65/344724565.db2.gz MITZCKBGWUAMPL-IZUQBHJASA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC([N@H+]2C[C@@H](CN)C[C@@H]2C)C1 234618500 344724567 /nfs/dbraw/zinc/72/45/67/344724567.db2.gz MITZCKBGWUAMPL-IZUQBHJASA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC([N@@H+]2C[C@H](CN)C[C@@H]2C)C1 234619373 344724581 /nfs/dbraw/zinc/72/45/81/344724581.db2.gz MITZCKBGWUAMPL-SAAXCQNUSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC([N@H+]2C[C@H](CN)C[C@@H]2C)C1 234619373 344724584 /nfs/dbraw/zinc/72/45/84/344724584.db2.gz MITZCKBGWUAMPL-SAAXCQNUSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1(CN2CCC([NH3+])CC2)CCC1 234653297 344724602 /nfs/dbraw/zinc/72/46/02/344724602.db2.gz RZFWMYHUDKBKHK-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO COC[C@H]1CCCN(CCC[NH3+])C1 234731173 344726148 /nfs/dbraw/zinc/72/61/48/344726148.db2.gz XHWNPORYQCQXPC-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO COC[C@H]1CCC[N@H+](CCCN)C1 234731173 344726149 /nfs/dbraw/zinc/72/61/49/344726149.db2.gz XHWNPORYQCQXPC-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO COC[C@H]1CCC[N@@H+](CCCN)C1 234731173 344726150 /nfs/dbraw/zinc/72/61/50/344726150.db2.gz XHWNPORYQCQXPC-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO COC[C@@H]1CCCN(CCC[NH3+])C1 234730031 344726229 /nfs/dbraw/zinc/72/62/29/344726229.db2.gz XHWNPORYQCQXPC-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO COC[C@@H]1CCC[N@H+](CCCN)C1 234730031 344726231 /nfs/dbraw/zinc/72/62/31/344726231.db2.gz XHWNPORYQCQXPC-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO COC[C@@H]1CCC[N@@H+](CCCN)C1 234730031 344726233 /nfs/dbraw/zinc/72/62/33/344726233.db2.gz XHWNPORYQCQXPC-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CO[C@@H]1CCC[C@@](N)(C[NH3+])C1 234756913 344726592 /nfs/dbraw/zinc/72/65/92/344726592.db2.gz YLSNXHPLKSHIPJ-SFYZADRCSA-N 1 3 158.245 0.232 10 0 ACAEHO CO[C@H]1CCC[C@](N)(C[NH3+])C1 234770162 344726933 /nfs/dbraw/zinc/72/69/33/344726933.db2.gz YLSNXHPLKSHIPJ-JGVFFNPUSA-N 1 3 158.245 0.232 10 0 ACAEHO CO[C@H]1CCC[C@@](N)(C[NH3+])C1 234788426 344727343 /nfs/dbraw/zinc/72/73/43/344727343.db2.gz YLSNXHPLKSHIPJ-YUMQZZPRSA-N 1 3 158.245 0.232 10 0 ACAEHO CO[C@@H]1CCC[C@](N)(C[NH3+])C1 234800972 344727975 /nfs/dbraw/zinc/72/79/75/344727975.db2.gz YLSNXHPLKSHIPJ-HTQZYQBOSA-N 1 3 158.245 0.232 10 0 ACAEHO CO[C@H]1CCN(C2CC([NH3+])C2)C1 234844995 344729229 /nfs/dbraw/zinc/72/92/29/344729229.db2.gz DYRRCMFNIPMPTR-HACHORDNSA-N 1 3 170.256 0.197 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)N)C1 234839780 344729383 /nfs/dbraw/zinc/72/93/83/344729383.db2.gz DCJFPHUIMLIDNJ-HRDYMLBCSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)N)C1 234839780 344729385 /nfs/dbraw/zinc/72/93/85/344729385.db2.gz DCJFPHUIMLIDNJ-HRDYMLBCSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CCN(C2CC([NH3+])C2)C1 234847399 344729511 /nfs/dbraw/zinc/72/95/11/344729511.db2.gz DYRRCMFNIPMPTR-AMDVSUOASA-N 1 3 170.256 0.197 10 0 ACAEHO CO[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 234853215 344729611 /nfs/dbraw/zinc/72/96/11/344729611.db2.gz BJOHDBMPXNSNTK-GHMZBOCLSA-N 1 3 198.310 0.896 10 0 ACAEHO CO[C@@H]1CC[N@H+](CC2(N)CCCC2)C1 234855015 344729638 /nfs/dbraw/zinc/72/96/38/344729638.db2.gz GAMCUNKSPJQEGY-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CO[C@@H]1CC[N@@H+](CC2(N)CCCC2)C1 234855015 344729639 /nfs/dbraw/zinc/72/96/39/344729639.db2.gz GAMCUNKSPJQEGY-SNVBAGLBSA-N 1 3 198.310 0.979 10 0 ACAEHO CO[C@@H]1CC[N@H+](CC2(N)CCC2)C1 234854956 344729741 /nfs/dbraw/zinc/72/97/41/344729741.db2.gz JTVNDDCSXZVEOY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO CO[C@@H]1CC[N@@H+](CC2(N)CCC2)C1 234854956 344729743 /nfs/dbraw/zinc/72/97/43/344729743.db2.gz JTVNDDCSXZVEOY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO CO[C@H]1CC[N@H+](CC2(N)CCC2)C1 234854972 344729762 /nfs/dbraw/zinc/72/97/62/344729762.db2.gz JTVNDDCSXZVEOY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO CO[C@H]1CC[N@@H+](CC2(N)CCC2)C1 234854972 344729763 /nfs/dbraw/zinc/72/97/63/344729763.db2.gz JTVNDDCSXZVEOY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO CO[C@H]1CC[N@H+](CC2(N)CCCC2)C1 234855008 344729842 /nfs/dbraw/zinc/72/98/42/344729842.db2.gz GAMCUNKSPJQEGY-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CO[C@H]1CC[N@@H+](CC2(N)CCCC2)C1 234855008 344729846 /nfs/dbraw/zinc/72/98/46/344729846.db2.gz GAMCUNKSPJQEGY-JTQLQIEISA-N 1 3 198.310 0.979 10 0 ACAEHO CO[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 234944479 344730823 /nfs/dbraw/zinc/73/08/23/344730823.db2.gz BJOHDBMPXNSNTK-WDEREUQCSA-N 1 3 198.310 0.896 10 0 ACAEHO CSCC[N@@H+]1C[C@@H](C)[C@@H](N)C1 235031425 344731768 /nfs/dbraw/zinc/73/17/68/344731768.db2.gz XTQXXIICIJCCOI-SFYZADRCSA-N 1 3 174.313 0.628 10 0 ACAEHO CSCC[N@H+]1C[C@@H](C)[C@@H](N)C1 235031425 344731770 /nfs/dbraw/zinc/73/17/70/344731770.db2.gz XTQXXIICIJCCOI-SFYZADRCSA-N 1 3 174.313 0.628 10 0 ACAEHO CSCC[N@@H+]1C[C@H](C)[C@@H](N)C1 235031686 344731938 /nfs/dbraw/zinc/73/19/38/344731938.db2.gz XTQXXIICIJCCOI-YUMQZZPRSA-N 1 3 174.313 0.628 10 0 ACAEHO CSCC[N@H+]1C[C@H](C)[C@@H](N)C1 235031686 344731939 /nfs/dbraw/zinc/73/19/39/344731939.db2.gz XTQXXIICIJCCOI-YUMQZZPRSA-N 1 3 174.313 0.628 10 0 ACAEHO CO[C@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 235029967 344732045 /nfs/dbraw/zinc/73/20/45/344732045.db2.gz BJOHDBMPXNSNTK-MNOVXSKESA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H]1CCSC1 235101138 344732726 /nfs/dbraw/zinc/73/27/26/344732726.db2.gz KAYBELRFCSEKLL-BQBZGAKWSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H]1CC1(C)C 235098736 344733064 /nfs/dbraw/zinc/73/30/64/344733064.db2.gz WBLYHBRPABSJCY-BQBZGAKWSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H]1CCCSC1 235099818 344733071 /nfs/dbraw/zinc/73/30/71/344733071.db2.gz TXRNTUAFMOPPQC-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H](CN1CC[C@@](C)(O)C1)C(N)=[NH2+] 235134310 344733762 /nfs/dbraw/zinc/73/37/62/344733762.db2.gz BHHAVUOZZUHGNJ-IONNQARKSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H]1CCSC1 235148881 344734239 /nfs/dbraw/zinc/73/42/39/344734239.db2.gz KAYBELRFCSEKLL-NKWVEPMBSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H]1CC1(C)C 235147312 344734251 /nfs/dbraw/zinc/73/42/51/344734251.db2.gz WBLYHBRPABSJCY-NKWVEPMBSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H]1CCCSC1 235147994 344734310 /nfs/dbraw/zinc/73/43/10/344734310.db2.gz TXRNTUAFMOPPQC-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1CN(C)CCCN1C[C@@H](C)[NH3+] 235173091 344735234 /nfs/dbraw/zinc/73/52/34/344735234.db2.gz UUERFXAMHSYUBT-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]1CCCN1C1(C[NH3+])CC1 235242949 344737700 /nfs/dbraw/zinc/73/77/00/344737700.db2.gz JKDUCPXVXAHUNS-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H](O)CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 235243420 344737594 /nfs/dbraw/zinc/73/75/94/344737594.db2.gz LNVMKUXAEQMKDW-NFLHVTIKSA-N 1 3 198.310 0.582 10 0 ACAEHO C[C@@H](O)C1CCN(CCC[NH3+])CC1 235243125 344737658 /nfs/dbraw/zinc/73/76/58/344737658.db2.gz YAQWJXZWGBSZCD-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@H]1C 235267957 344739059 /nfs/dbraw/zinc/73/90/59/344739059.db2.gz JZCHHXXLVAHWIA-DOLQZWNJSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1C[C@@H]1C 235267932 344739086 /nfs/dbraw/zinc/73/90/86/344739086.db2.gz JZCHHXXLVAHWIA-QCLAVDOMSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1C[C@H]1C 235268573 344739368 /nfs/dbraw/zinc/73/93/68/344739368.db2.gz JZCHHXXLVAHWIA-IMSYWVGJSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@H]1C[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C 235268502 344739435 /nfs/dbraw/zinc/73/94/35/344739435.db2.gz JZCHHXXLVAHWIA-JXUBOQSCSA-N 1 3 168.284 0.840 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN[C@]1(C)CCOC1 235268720 344739546 /nfs/dbraw/zinc/73/95/46/344739546.db2.gz CKPFXUVNGIERNX-OUAUKWLOSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H]1CC[N@@H+]1CC1(N)CCC1 235292301 344741250 /nfs/dbraw/zinc/74/12/50/344741250.db2.gz DIXNMPXDUJFWHY-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1CC[N@H+]1CC1(N)CCC1 235292301 344741251 /nfs/dbraw/zinc/74/12/51/344741251.db2.gz DIXNMPXDUJFWHY-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1CN(C)CCCN1CC(C)(C)[NH3+] 235330263 344743690 /nfs/dbraw/zinc/74/36/90/344743690.db2.gz DTVGOLLXBDNNOY-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H]1CN(C2CCOCC2)C[C@@H]1[NH3+] 235333236 344743936 /nfs/dbraw/zinc/74/39/36/344743936.db2.gz PYKAXOTUCDDCKU-SCZZXKLOSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1[NH3+] 235333343 344744324 /nfs/dbraw/zinc/74/43/24/344744324.db2.gz OQJJQROPPUFXRH-UTLUCORTSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1SCC[C@@]1(N)C[NH3+] 235341642 344744486 /nfs/dbraw/zinc/74/44/86/344744486.db2.gz DWEVNDIWUVGHPQ-NTSWFWBYSA-N 1 3 146.259 0.168 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCN(C)C2)C[C@@H]1[NH3+] 235346619 344744918 /nfs/dbraw/zinc/74/49/18/344744918.db2.gz SBPXAILYVCNGMM-MXWKQRLJSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)C[C@@H]1N 235347042 344744975 /nfs/dbraw/zinc/74/49/75/344744975.db2.gz MXOUWUFKVRDNJG-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCCOC2)C[C@@H]1N 235347042 344744976 /nfs/dbraw/zinc/74/49/76/344744976.db2.gz MXOUWUFKVRDNJG-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[C@@H]([NH+]2CC=CC2)CCN1 235345534 344745139 /nfs/dbraw/zinc/74/51/39/344745139.db2.gz JMZGRIDHOFAFQK-ZJUUUORDSA-N 1 3 166.268 0.999 10 0 ACAEHO C[C@@H]1CN([C@H](C)[C@H]2CCOC2)C[C@@H]1[NH3+] 235356003 344745457 /nfs/dbraw/zinc/74/54/57/344745457.db2.gz ITVRHGLTLNMYGX-ZNSHCXBVSA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@@H]1SCC[C@H]1NCC[NH3+] 235371818 344746849 /nfs/dbraw/zinc/74/68/49/344746849.db2.gz GJGNWJARLNZHKD-NKWVEPMBSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[N@H+]1CCC[C@@H](N)C1 235391429 344747260 /nfs/dbraw/zinc/74/72/60/344747260.db2.gz CKMOFURQERSOEG-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[N@@H+]1CCC[C@@H](N)C1 235391429 344747259 /nfs/dbraw/zinc/74/72/59/344747259.db2.gz CKMOFURQERSOEG-HBNTYKKESA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1CN(c2ccncc2)C[C@@H]1[NH3+] 235380359 344747500 /nfs/dbraw/zinc/74/75/00/344747500.db2.gz DXDXSTGWFOIUCW-SCZZXKLOSA-N 1 3 177.251 0.865 10 0 ACAEHO C[C@@H]1SCC[C@]1(N)C[NH3+] 235395677 344747936 /nfs/dbraw/zinc/74/79/36/344747936.db2.gz DWEVNDIWUVGHPQ-WDSKDSINSA-N 1 3 146.259 0.168 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CC(N)C2)CCO1 235407320 344748624 /nfs/dbraw/zinc/74/86/24/344748624.db2.gz GLYWMZYKHGTXJO-RJQCTPFPSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC([NH3+])C2)CCO1 235407320 344748626 /nfs/dbraw/zinc/74/86/26/344748626.db2.gz GLYWMZYKHGTXJO-RJQCTPFPSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@H]([NH+]2CC=CC2)CCN1 235420899 344748996 /nfs/dbraw/zinc/74/89/96/344748996.db2.gz JMZGRIDHOFAFQK-NXEZZACHSA-N 1 3 166.268 0.999 10 0 ACAEHO C[C@@H]1OCC[C@H]1CN[C@@H]1CCC[NH2+]C1 235427620 344749326 /nfs/dbraw/zinc/74/93/26/344749326.db2.gz ODWVMQFIJFOORY-GARJFASQSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@]1(NC[C@@H]2CC[NH2+]C2)CCCOC1 235450522 344749811 /nfs/dbraw/zinc/74/98/11/344749811.db2.gz SUMIJXPNJXAUSX-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@H](CN1CC[C@@](C)(O)C1)C(N)=[NH2+] 235447737 344749842 /nfs/dbraw/zinc/74/98/42/344749842.db2.gz BHHAVUOZZUHGNJ-VXNVDRBHSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@@]1(NCC2C[NH2+]C2)CCCOC1 235445810 344749999 /nfs/dbraw/zinc/74/99/99/344749999.db2.gz ZNHVLHGLHZEFBF-SNVBAGLBSA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@@]1([NH2+]CC2CNC2)CCCOC1 235445810 344750000 /nfs/dbraw/zinc/75/00/00/344750000.db2.gz ZNHVLHGLHZEFBF-SNVBAGLBSA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CCCO2)C1 235438982 344750067 /nfs/dbraw/zinc/75/00/67/344750067.db2.gz URZICWANNFCJKA-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@H+](C[C@@H]2CCCO2)C1 235438982 344750069 /nfs/dbraw/zinc/75/00/69/344750069.db2.gz URZICWANNFCJKA-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+](C[C@@H]2CCCO2)C1 235438982 344750071 /nfs/dbraw/zinc/75/00/71/344750071.db2.gz URZICWANNFCJKA-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H]1CN(C)CCN1[C@@H](C)[C@H](C)C[NH3+] 235438955 344750090 /nfs/dbraw/zinc/75/00/90/344750090.db2.gz SNJFIKRXZCAPRQ-VWYCJHECSA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)NCC1([NH3+])CC1 235438487 344750105 /nfs/dbraw/zinc/75/01/05/344750105.db2.gz RHIRLHYAAHHEME-DTWKUNHWSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CC1(C)C 235459950 344750422 /nfs/dbraw/zinc/75/04/22/344750422.db2.gz WBLYHBRPABSJCY-RNFRBKRXSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@]1(NC[C@H]2CC[NH2+]C2)CCCOC1 235453211 344750478 /nfs/dbraw/zinc/75/04/78/344750478.db2.gz SUMIJXPNJXAUSX-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CC(N)C2)CCO1 235450971 344750481 /nfs/dbraw/zinc/75/04/81/344750481.db2.gz GLYWMZYKHGTXJO-PRWFHZCQSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC([NH3+])C2)CCO1 235450971 344750482 /nfs/dbraw/zinc/75/04/82/344750482.db2.gz GLYWMZYKHGTXJO-PRWFHZCQSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H]1CN(C)CC[C@@H]1[NH2+][C@H](C)CN 235463620 344750488 /nfs/dbraw/zinc/75/04/88/344750488.db2.gz OEZXNSMQQLPFOA-AEJSXWLSSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@H]1C[C@H]1N[C@H](C)C[NH3+] 235460796 344750500 /nfs/dbraw/zinc/75/05/00/344750500.db2.gz IRWPUMLSOQSVAP-RRKCRQDMSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@H]1C[C@@H]1N[C@H](C)C[NH3+] 235463990 344750528 /nfs/dbraw/zinc/75/05/28/344750528.db2.gz IRWPUMLSOQSVAP-XVMARJQXSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1CN(C)CCN1C1(C[NH3+])CC1 235465886 344750587 /nfs/dbraw/zinc/75/05/87/344750587.db2.gz XDOVEIIHJKTVAR-SECBINFHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1CN(C)CC[C@H]1[NH2+][C@H](C)CN 235460455 344750652 /nfs/dbraw/zinc/75/06/52/344750652.db2.gz OEZXNSMQQLPFOA-IVZWLZJFSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CC1(C)C 235463077 344750683 /nfs/dbraw/zinc/75/06/83/344750683.db2.gz WBLYHBRPABSJCY-RQJHMYQMSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCSC1 235463798 344750720 /nfs/dbraw/zinc/75/07/20/344750720.db2.gz KAYBELRFCSEKLL-RQJHMYQMSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCCSC1 235460223 344750732 /nfs/dbraw/zinc/75/07/32/344750732.db2.gz TXRNTUAFMOPPQC-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCCSC1 235463386 344750739 /nfs/dbraw/zinc/75/07/39/344750739.db2.gz TXRNTUAFMOPPQC-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1CN(C)CCN1CCC(C)(C)[NH3+] 235472688 344751073 /nfs/dbraw/zinc/75/10/73/344751073.db2.gz FLVVERDQGOXOKT-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](C)O)C1 235495268 344751591 /nfs/dbraw/zinc/75/15/91/344751591.db2.gz FLZCHWSUNZTYBS-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]([NH3+])CN1CCCN(C)C[C@@H]1C 235481888 344751604 /nfs/dbraw/zinc/75/16/04/344751604.db2.gz UUERFXAMHSYUBT-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](C)O)C1 235495217 344751707 /nfs/dbraw/zinc/75/17/07/344751707.db2.gz RNCOWZBTPJOCJB-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](C)O)C1 235494469 344751814 /nfs/dbraw/zinc/75/18/14/344751814.db2.gz FLZCHWSUNZTYBS-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](C)O)C1 235495874 344752110 /nfs/dbraw/zinc/75/21/10/344752110.db2.gz RNCOWZBTPJOCJB-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C1CCN(CCC[NH3+])CC1 235526304 344752530 /nfs/dbraw/zinc/75/25/30/344752530.db2.gz YAQWJXZWGBSZCD-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](O)CN(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 235535647 344752948 /nfs/dbraw/zinc/75/29/48/344752948.db2.gz LNVMKUXAEQMKDW-GKDVJIACSA-N 1 3 198.310 0.582 10 0 ACAEHO C[C@H]1CCCN1C1(C[NH3+])CC1 235556849 344754857 /nfs/dbraw/zinc/75/48/57/344754857.db2.gz JKDUCPXVXAHUNS-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H]1CC[N@@H+]1CC1(N)CCC1 235561931 344755470 /nfs/dbraw/zinc/75/54/70/344755470.db2.gz DIXNMPXDUJFWHY-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H]1CC[N@H+]1CC1(N)CCC1 235561931 344755472 /nfs/dbraw/zinc/75/54/72/344755472.db2.gz DIXNMPXDUJFWHY-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@H](CN)C[C@@H]1C 235567991 344755784 /nfs/dbraw/zinc/75/57/84/344755784.db2.gz ZEHHPLAIVDMEIG-CIUDSAMLSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@H](CN)C[C@@H]1C 235567991 344755786 /nfs/dbraw/zinc/75/57/86/344755786.db2.gz ZEHHPLAIVDMEIG-CIUDSAMLSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](N)C1 235567830 344755998 /nfs/dbraw/zinc/75/59/98/344755998.db2.gz XYTNXGHAWKZPPE-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](N)C1 235567830 344755999 /nfs/dbraw/zinc/75/59/99/344755999.db2.gz XYTNXGHAWKZPPE-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]1CN(C)CCN1C(C)(C)C[NH3+] 235572679 344756533 /nfs/dbraw/zinc/75/65/33/344756533.db2.gz JTAXZVYOEHIJIW-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]1CN(C)CCN1C1CC([NH3+])C1 235573416 344756540 /nfs/dbraw/zinc/75/65/40/344756540.db2.gz DNEPXMGPHJGZRY-IDKOKCKLSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]1CN(C)CCN1C1(C[NH3+])CC1 235573018 344756551 /nfs/dbraw/zinc/75/65/51/344756551.db2.gz XDOVEIIHJKTVAR-VIFPVBQESA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1CN(C)CCN1CCC(C)(C)[NH3+] 235578372 344757092 /nfs/dbraw/zinc/75/70/92/344757092.db2.gz FLVVERDQGOXOKT-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1OCC[C@@]1(C)NCC1([NH3+])CC1 235595673 344758362 /nfs/dbraw/zinc/75/83/62/344758362.db2.gz RHIRLHYAAHHEME-RKDXNWHRSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H]1SCC[C@@H]1NCC[NH3+] 235603198 344758771 /nfs/dbraw/zinc/75/87/71/344758771.db2.gz GJGNWJARLNZHKD-RQJHMYQMSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H]1CN(C)CCCN1CC(C)(C)[NH3+] 235613396 344759659 /nfs/dbraw/zinc/75/96/59/344759659.db2.gz DTVGOLLXBDNNOY-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1CCN(C2(C[NH3+])CC2)C1 235622992 344760074 /nfs/dbraw/zinc/76/00/74/344760074.db2.gz IRVBBRUAAFDJDG-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]1SCC[C@@]1(N)C[NH3+] 235627533 344760533 /nfs/dbraw/zinc/76/05/33/344760533.db2.gz DWEVNDIWUVGHPQ-PHDIDXHHSA-N 1 3 146.259 0.168 10 0 ACAEHO C[C@H]1OCC[C@]1(C)NCC1([NH3+])CC1 235640498 344760991 /nfs/dbraw/zinc/76/09/91/344760991.db2.gz RHIRLHYAAHHEME-BDAKNGLRSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@H]1CN(C2(C[NH3+])CC2)C[C@@H](C)N1C 235637953 344761104 /nfs/dbraw/zinc/76/11/04/344761104.db2.gz TTYJCBSQGUYFDS-AOOOYVTPSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]1CN(C2CCOCC2)C[C@@H]1[NH3+] 235640329 344761296 /nfs/dbraw/zinc/76/12/96/344761296.db2.gz PYKAXOTUCDDCKU-WPRPVWTQSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1SCC[C@H]1NCC[NH3+] 235650654 344761865 /nfs/dbraw/zinc/76/18/65/344761865.db2.gz GJGNWJARLNZHKD-RNFRBKRXSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H]1CN(CC2CCOCC2)C[C@@H]1[NH3+] 235669676 344762185 /nfs/dbraw/zinc/76/21/85/344762185.db2.gz HAAYZIKMEANKIR-ONGXEEELSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]1CN(CC2CC2)C[C@@H]1[NH3+] 235668720 344762269 /nfs/dbraw/zinc/76/22/69/344762269.db2.gz DNEUKUDICURRHM-CBAPKCEASA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]1SCC[C@]1(N)C[NH3+] 235671404 344762288 /nfs/dbraw/zinc/76/22/88/344762288.db2.gz DWEVNDIWUVGHPQ-RITPCOANSA-N 1 3 146.259 0.168 10 0 ACAEHO C[C@H]1CN(C)CCCN1[C@H](C)C(N)=[NH2+] 235679221 344762860 /nfs/dbraw/zinc/76/28/60/344762860.db2.gz LDOXLOWPQPMGMH-DTWKUNHWSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@H]1CN(c2ccncc2)C[C@@H]1[NH3+] 235691994 344763198 /nfs/dbraw/zinc/76/31/98/344763198.db2.gz DXDXSTGWFOIUCW-WPRPVWTQSA-N 1 3 177.251 0.865 10 0 ACAEHO C[C@H]1C[C@H]([NH+]2CC=CC2)CCN1 235698089 344763712 /nfs/dbraw/zinc/76/37/12/344763712.db2.gz JMZGRIDHOFAFQK-VHSXEESVSA-N 1 3 166.268 0.999 10 0 ACAEHO C[C@]1(C[NH3+])CCN(C[C@@H]2CCCO2)C1 235707534 344764114 /nfs/dbraw/zinc/76/41/14/344764114.db2.gz URZICWANNFCJKA-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@H+](C[C@@H]2CCCO2)C1 235707534 344764117 /nfs/dbraw/zinc/76/41/17/344764117.db2.gz URZICWANNFCJKA-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CCCO2)C1 235707534 344764119 /nfs/dbraw/zinc/76/41/19/344764119.db2.gz URZICWANNFCJKA-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C2CC(N)C2)CCO1 235733694 344764661 /nfs/dbraw/zinc/76/46/61/344764661.db2.gz GLYWMZYKHGTXJO-QGVKSAJWSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H]1C[C@H](NC2CC([NH3+])C2)CCO1 235733694 344764664 /nfs/dbraw/zinc/76/46/64/344764664.db2.gz GLYWMZYKHGTXJO-QGVKSAJWSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@]1(NC[C@@H]2CC[NH2+]C2)CCCOC1 235731384 344764718 /nfs/dbraw/zinc/76/47/18/344764718.db2.gz SUMIJXPNJXAUSX-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@]1(NC[C@H]2CC[NH2+]C2)CCCOC1 235734032 344764742 /nfs/dbraw/zinc/76/47/42/344764742.db2.gz SUMIJXPNJXAUSX-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@H]1C[C@@H]([NH+]2CC=CC2)CCN1 235736822 344764861 /nfs/dbraw/zinc/76/48/61/344764861.db2.gz JMZGRIDHOFAFQK-UWVGGRQHSA-N 1 3 166.268 0.999 10 0 ACAEHO C[C@]1(NCC2C[NH2+]C2)CCCOC1 235727043 344764998 /nfs/dbraw/zinc/76/49/98/344764998.db2.gz ZNHVLHGLHZEFBF-JTQLQIEISA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@]1([NH2+]CC2CNC2)CCCOC1 235727043 344764999 /nfs/dbraw/zinc/76/49/99/344764999.db2.gz ZNHVLHGLHZEFBF-JTQLQIEISA-N 1 3 184.283 0.365 10 0 ACAEHO NCC1([N@@H+]2CCCSCC2)CC1 236217065 344777964 /nfs/dbraw/zinc/77/79/64/344777964.db2.gz YQCQILZIIGPSGC-UHFFFAOYSA-N 1 3 186.324 0.917 10 0 ACAEHO NCC1([N@H+]2CCCSCC2)CC1 236217065 344777967 /nfs/dbraw/zinc/77/79/67/344777967.db2.gz YQCQILZIIGPSGC-UHFFFAOYSA-N 1 3 186.324 0.917 10 0 ACAEHO O[C@H]([C@@H]1CCCCCN1)[C@@H]1CCC[NH2+]1 236544319 344788350 /nfs/dbraw/zinc/78/83/50/344788350.db2.gz ICFKMRSKNGRQPF-GARJFASQSA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@H]([C@@H]1CCCCN1)[C@@H]1CCC[NH2+]1 236544824 344788439 /nfs/dbraw/zinc/78/84/39/344788439.db2.gz BTOHPHQYPYKFQI-LPEHRKFASA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@H]([C@@H]1CCCCCN1)[C@H]1CCC[NH2+]1 236544345 344788477 /nfs/dbraw/zinc/78/84/77/344788477.db2.gz ICFKMRSKNGRQPF-HBNTYKKESA-N 1 3 198.310 0.632 10 0 ACAEHO CC(C)N[C@H](C)[C@@H]1CC[NH2+]C1 238154058 344794096 /nfs/dbraw/zinc/79/40/96/344794096.db2.gz IUMKOIZNEJJDEH-RKDXNWHRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)N[C@H](C)[C@H]1CC[NH2+]C1 238154354 344794629 /nfs/dbraw/zinc/79/46/29/344794629.db2.gz IUMKOIZNEJJDEH-BDAKNGLRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)N[C@@H](C)[C@@H]1CC[NH2+]C1 238200678 344795924 /nfs/dbraw/zinc/79/59/24/344795924.db2.gz IUMKOIZNEJJDEH-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)N[C@@H](C)[C@H]1CC[NH2+]C1 238200974 344795996 /nfs/dbraw/zinc/79/59/96/344795996.db2.gz IUMKOIZNEJJDEH-IUCAKERBSA-N 1 3 156.273 0.982 10 0 ACAEHO CC[N@H+](C)C[C@@]1(O)CCCNC1 238238066 344796621 /nfs/dbraw/zinc/79/66/21/344796621.db2.gz VMFZOOUQWPJAAE-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CC[N@@H+](C)C[C@@]1(O)CCCNC1 238238066 344796622 /nfs/dbraw/zinc/79/66/22/344796622.db2.gz VMFZOOUQWPJAAE-SECBINFHSA-N 1 3 172.272 0.053 10 0 ACAEHO CC[N@H+](C)C[C@]1(O)CCCNC1 238238206 344796670 /nfs/dbraw/zinc/79/66/70/344796670.db2.gz VMFZOOUQWPJAAE-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC[N@@H+](C)C[C@]1(O)CCCNC1 238238206 344796671 /nfs/dbraw/zinc/79/66/71/344796671.db2.gz VMFZOOUQWPJAAE-VIFPVBQESA-N 1 3 172.272 0.053 10 0 ACAEHO CC[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238252444 344797463 /nfs/dbraw/zinc/79/74/63/344797463.db2.gz OHRIKUCGBZJCND-AYMMMOKOSA-N 1 3 154.257 0.960 10 0 ACAEHO CC[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238252444 344797465 /nfs/dbraw/zinc/79/74/65/344797465.db2.gz OHRIKUCGBZJCND-AYMMMOKOSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H](C1CC[NH2+]CC1)N1CC(O)C1 238367278 344803419 /nfs/dbraw/zinc/80/34/19/344803419.db2.gz LGWWLLJOSIMZED-QMMMGPOBSA-N 1 3 184.283 0.051 10 0 ACAEHO COc1cc(C)c(C[NH3+])cc1CN 238366908 344803589 /nfs/dbraw/zinc/80/35/89/344803589.db2.gz MTURXKHNJVEPIH-UHFFFAOYSA-N 1 3 180.251 0.921 10 0 ACAEHO C[C@@H](CO)N1CCC[C@@H](C[NH3+])C1 238373438 344804022 /nfs/dbraw/zinc/80/40/22/344804022.db2.gz AFVFSXSWNWQNAD-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO COc1cc(OC)c(C[NH3+])cc1CN 238404770 344805649 /nfs/dbraw/zinc/80/56/49/344805649.db2.gz YKWGDQCAOLOVDM-UHFFFAOYSA-N 1 3 196.250 0.621 10 0 ACAEHO C[C@H](CO)N1CCC[C@@H](C[NH3+])C1 238433061 344806291 /nfs/dbraw/zinc/80/62/91/344806291.db2.gz AFVFSXSWNWQNAD-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](C1CC[NH2+]CC1)N1CC(O)C1 238433334 344806475 /nfs/dbraw/zinc/80/64/75/344806475.db2.gz LGWWLLJOSIMZED-MRVPVSSYSA-N 1 3 184.283 0.051 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@H]2O)C1 238561227 344812768 /nfs/dbraw/zinc/81/27/68/344812768.db2.gz RHSGGOHFQXONKF-GMTAPVOTSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 238561227 344812767 /nfs/dbraw/zinc/81/27/67/344812767.db2.gz RHSGGOHFQXONKF-GMTAPVOTSA-N 1 3 198.310 0.713 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1C[C@H]1CCOC1 238559403 344813055 /nfs/dbraw/zinc/81/30/55/344813055.db2.gz DCCJSMGAYJVNOY-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO NC1C2(CCC2)C([NH3+])C12CCC2 238581710 344814318 /nfs/dbraw/zinc/81/43/18/344814318.db2.gz GXCRVWSPHHZFDX-UHFFFAOYSA-N 1 3 166.268 0.995 10 0 ACAEHO O[C@@H](CN1CCC1)C1CC[NH2+]CC1 238679403 344818679 /nfs/dbraw/zinc/81/86/79/344818679.db2.gz JJJLIFPCOSAHOT-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO O[C@H](CN1CCC1)C1CC[NH2+]CC1 238706596 344820620 /nfs/dbraw/zinc/82/06/20/344820620.db2.gz JJJLIFPCOSAHOT-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](N)C1 238792585 344822387 /nfs/dbraw/zinc/82/23/87/344822387.db2.gz GIGUIAVIOGYEJI-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](N)C1 238792585 344822388 /nfs/dbraw/zinc/82/23/88/344822388.db2.gz GIGUIAVIOGYEJI-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](O)CN1CCC([NH3+])CC1 238792581 344822621 /nfs/dbraw/zinc/82/26/21/344822621.db2.gz XKNODPFCXDROHF-JTQLQIEISA-N 1 3 186.299 0.426 10 0 ACAEHO CO[C@@H](C1CC1)[C@@H]1CNCC[N@H+](C)C1 247885336 344826962 /nfs/dbraw/zinc/82/69/62/344826962.db2.gz RIFVPHISCUUUMQ-MNOVXSKESA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@@H](C1CC1)[C@@H]1CNCC[N@@H+](C)C1 247885336 344826965 /nfs/dbraw/zinc/82/69/65/344826965.db2.gz RIFVPHISCUUUMQ-MNOVXSKESA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@@H](C1CC1)[C@H]1CNCC[N@H+](C)C1 247885340 344827127 /nfs/dbraw/zinc/82/71/27/344827127.db2.gz RIFVPHISCUUUMQ-QWRGUYRKSA-N 1 3 198.310 0.563 10 0 ACAEHO CO[C@@H](C1CC1)[C@H]1CNCC[N@@H+](C)C1 247885340 344827128 /nfs/dbraw/zinc/82/71/28/344827128.db2.gz RIFVPHISCUUUMQ-QWRGUYRKSA-N 1 3 198.310 0.563 10 0 ACAEHO C[NH2+]CCN1CCN2CCCC[C@H]2C1 249844543 344827880 /nfs/dbraw/zinc/82/78/80/344827880.db2.gz BBXIPYPSYDMONT-NSHDSACASA-N 1 3 197.326 0.376 10 0 ACAEHO CCN(C)C[C@H]1C[NH2+]C[C@H]1C 249889292 344827971 /nfs/dbraw/zinc/82/79/71/344827971.db2.gz DCPUZKBSPYCZHX-RKDXNWHRSA-N 1 3 156.273 0.794 10 0 ACAEHO CCN(C)C[C@@]1(C)COC[C@H]1[NH3+] 249915032 344828649 /nfs/dbraw/zinc/82/86/49/344828649.db2.gz JTMRUGFCXIBLHF-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCN(C)C[C@]1(C)COC[C@H]1[NH3+] 249915036 344828778 /nfs/dbraw/zinc/82/87/78/344828778.db2.gz JTMRUGFCXIBLHF-RKDXNWHRSA-N 1 3 172.272 0.302 10 0 ACAEHO CCCN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 250072555 344829421 /nfs/dbraw/zinc/82/94/21/344829421.db2.gz ZGTXLPWOOSVEHG-GUBZILKMSA-N 1 3 168.284 0.936 10 0 ACAEHO CCN(C)[C@H]1CC[C@H]1C[NH3+] 250100698 344829950 /nfs/dbraw/zinc/82/99/50/344829950.db2.gz YYJJDMINFJXHDA-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+](C)[C@H]1CC[C@H]1CN 250100698 344829951 /nfs/dbraw/zinc/82/99/51/344829951.db2.gz YYJJDMINFJXHDA-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+](C)[C@H]1CC[C@H]1CN 250100698 344829952 /nfs/dbraw/zinc/82/99/52/344829952.db2.gz YYJJDMINFJXHDA-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CCCN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 250073266 344830098 /nfs/dbraw/zinc/83/00/98/344830098.db2.gz ZGTXLPWOOSVEHG-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO CC[N@H+](C)[C@H]1CCNC[C@H]1C 250074754 344830106 /nfs/dbraw/zinc/83/01/06/344830106.db2.gz SLSHCBZTCHUXAS-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+](C)[C@H]1CCNC[C@H]1C 250074754 344830107 /nfs/dbraw/zinc/83/01/07/344830107.db2.gz SLSHCBZTCHUXAS-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@H]1CC[NH2+]C[C@H]1C 250074754 344830110 /nfs/dbraw/zinc/83/01/10/344830110.db2.gz SLSHCBZTCHUXAS-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN([C@H]1CCN(C)C1)[C@@H]1CC[NH2+]C1 250089942 344830122 /nfs/dbraw/zinc/83/01/22/344830122.db2.gz WNGXCGIXTWZAOY-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CCN([C@H]1CC[NH2+]C1)[C@H]1CCN(C)C1 250089947 344830135 /nfs/dbraw/zinc/83/01/35/344830135.db2.gz WNGXCGIXTWZAOY-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN(C(C)(C)C[NH3+])C[C@H]1C 250215313 344830691 /nfs/dbraw/zinc/83/06/91/344830691.db2.gz DCEKYAGGTMPBLK-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CC[N@H+]1C[C@@H]2CNCC[C@H]2C1 250233641 344831131 /nfs/dbraw/zinc/83/11/31/344831131.db2.gz GLTONSGDKUVRCW-IUCAKERBSA-N 1 3 154.257 0.548 10 0 ACAEHO CC[N@@H+]1C[C@@H]2CNCC[C@H]2C1 250233641 344831132 /nfs/dbraw/zinc/83/11/32/344831132.db2.gz GLTONSGDKUVRCW-IUCAKERBSA-N 1 3 154.257 0.548 10 0 ACAEHO CC[N@@H+]1CCC[C@@H](N)[C@H]1C 250257206 344831260 /nfs/dbraw/zinc/83/12/60/344831260.db2.gz JGPFTENBHPLVNZ-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[N@H+]1CCC[C@@H](N)[C@H]1C 250257206 344831262 /nfs/dbraw/zinc/83/12/62/344831262.db2.gz JGPFTENBHPLVNZ-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CCN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 250314879 344831621 /nfs/dbraw/zinc/83/16/21/344831621.db2.gz MISIOWVQOKRPQS-VGMNWLOBSA-N 1 3 154.257 0.546 10 0 ACAEHO CCN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 250314877 344831640 /nfs/dbraw/zinc/83/16/40/344831640.db2.gz MISIOWVQOKRPQS-HRDYMLBCSA-N 1 3 154.257 0.546 10 0 ACAEHO CN(C)C[C@@H]1CCCN1[C@H]1CC[NH2+]C1 250347343 344832112 /nfs/dbraw/zinc/83/21/12/344832112.db2.gz HIPOGYFKISZUEK-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN([C@H](C)C[NH3+])C[C@@H]1C 250355489 344832188 /nfs/dbraw/zinc/83/21/88/344832188.db2.gz SBDSGGSZLXFWHX-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CN(C)C[C@H]1CCCN1[C@H]1CC[NH2+]C1 250347347 344832286 /nfs/dbraw/zinc/83/22/86/344832286.db2.gz HIPOGYFKISZUEK-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN([C@H](C)C[NH3+])C[C@H]1C 250355483 344832289 /nfs/dbraw/zinc/83/22/89/344832289.db2.gz SBDSGGSZLXFWHX-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN(C1CC1)[C@@H]1CC[C@H]1C[NH3+] 250366184 344832754 /nfs/dbraw/zinc/83/27/54/344832754.db2.gz GBOIQVVOBUWADZ-IONNQARKSA-N 1 3 154.257 0.818 10 0 ACAEHO CN(C1CC1)[C@H]1CC[C@H]1C[NH3+] 250366183 344832837 /nfs/dbraw/zinc/83/28/37/344832837.db2.gz GBOIQVVOBUWADZ-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@@H]1CCC[C@H]1O 250443680 344833580 /nfs/dbraw/zinc/83/35/80/344833580.db2.gz UJOBGCWONLLOEW-GHMZBOCLSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@@H]1CCC[C@H]1O 250443680 344833583 /nfs/dbraw/zinc/83/35/83/344833583.db2.gz UJOBGCWONLLOEW-GHMZBOCLSA-N 1 3 198.310 0.584 10 0 ACAEHO CN(C1CC[NH2+]CC1)[C@@H]1CCC[C@H]1O 250443680 344833586 /nfs/dbraw/zinc/83/35/86/344833586.db2.gz UJOBGCWONLLOEW-GHMZBOCLSA-N 1 3 198.310 0.584 10 0 ACAEHO C[N@@H+](C1CCOCC1)[C@H]1CC[C@H]1CN 250448143 344833603 /nfs/dbraw/zinc/83/36/03/344833603.db2.gz VBMYODROFBTBLU-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C1CCOCC1)[C@H]1CC[C@H]1CN 250448143 344833606 /nfs/dbraw/zinc/83/36/06/344833606.db2.gz VBMYODROFBTBLU-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C1CCOCC1)[C@H]1CC[C@H]1C[NH3+] 250448143 344833610 /nfs/dbraw/zinc/83/36/10/344833610.db2.gz VBMYODROFBTBLU-ONGXEEELSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@H+](C1CC1)[C@H]1CCC[C@H]1N 250442552 344833687 /nfs/dbraw/zinc/83/36/87/344833687.db2.gz UBGOACAHBBFKOK-BDAKNGLRSA-N 1 3 154.257 0.960 10 0 ACAEHO C[N@@H+](C1CC1)[C@H]1CCC[C@H]1N 250442552 344833688 /nfs/dbraw/zinc/83/36/88/344833688.db2.gz UBGOACAHBBFKOK-BDAKNGLRSA-N 1 3 154.257 0.960 10 0 ACAEHO CC(C)[N@@H+]1C[C@H]2CCNC[C@H]2C1 250501206 344835175 /nfs/dbraw/zinc/83/51/75/344835175.db2.gz LGWIQELBGCHTTG-ZJUUUORDSA-N 1 3 168.284 0.936 10 0 ACAEHO CC(C)[N@H+]1C[C@H]2CCNC[C@H]2C1 250501206 344835177 /nfs/dbraw/zinc/83/51/77/344835177.db2.gz LGWIQELBGCHTTG-ZJUUUORDSA-N 1 3 168.284 0.936 10 0 ACAEHO CC(C)[N@H+]1C[C@@H]2CNCC[C@H]2C1 250501204 344835343 /nfs/dbraw/zinc/83/53/43/344835343.db2.gz LGWIQELBGCHTTG-UWVGGRQHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC(C)[N@@H+]1C[C@@H]2CNCC[C@H]2C1 250501204 344835344 /nfs/dbraw/zinc/83/53/44/344835344.db2.gz LGWIQELBGCHTTG-UWVGGRQHSA-N 1 3 168.284 0.936 10 0 ACAEHO CN1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 250556953 344836373 /nfs/dbraw/zinc/83/63/73/344836373.db2.gz BHYYNAXDOMLFGD-VHSXEESVSA-N 1 3 183.299 0.032 10 0 ACAEHO CN1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 250556951 344836456 /nfs/dbraw/zinc/83/64/56/344836456.db2.gz BHYYNAXDOMLFGD-UWVGGRQHSA-N 1 3 183.299 0.032 10 0 ACAEHO CN1CCC[C@](O)([C@H]2CCC[NH2+]2)CC1 250582342 344836732 /nfs/dbraw/zinc/83/67/32/344836732.db2.gz GFANCPRVVAYGAC-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CC(C)C[N@H+](C)[C@H]1COCC[C@H]1N 250584719 344836817 /nfs/dbraw/zinc/83/68/17/344836817.db2.gz HSEAXEZFYKHHGB-ZJUUUORDSA-N 1 3 186.299 0.690 10 0 ACAEHO CC(C)C[N@@H+](C)[C@H]1COCC[C@H]1N 250584719 344836820 /nfs/dbraw/zinc/83/68/20/344836820.db2.gz HSEAXEZFYKHHGB-ZJUUUORDSA-N 1 3 186.299 0.690 10 0 ACAEHO CN1CCC[C@@](O)([C@H]2CCC[NH2+]2)CC1 250582347 344836889 /nfs/dbraw/zinc/83/68/89/344836889.db2.gz GFANCPRVVAYGAC-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 250588352 344836935 /nfs/dbraw/zinc/83/69/35/344836935.db2.gz GZBUWKIJEOLSKF-WDEREUQCSA-N 1 3 197.326 0.280 10 0 ACAEHO CN1CCCC[C@H]1CN[C@H]1CC[NH2+]C1 250603676 344836989 /nfs/dbraw/zinc/83/69/89/344836989.db2.gz KSEYZROOWSEDNF-QWRGUYRKSA-N 1 3 197.326 0.422 10 0 ACAEHO CC(C)C[N@H+](C)[C@@H]1COCC[C@H]1N 250584715 344837042 /nfs/dbraw/zinc/83/70/42/344837042.db2.gz HSEAXEZFYKHHGB-NXEZZACHSA-N 1 3 186.299 0.690 10 0 ACAEHO CC(C)C[N@@H+](C)[C@@H]1COCC[C@H]1N 250584715 344837045 /nfs/dbraw/zinc/83/70/45/344837045.db2.gz HSEAXEZFYKHHGB-NXEZZACHSA-N 1 3 186.299 0.690 10 0 ACAEHO CN1CC[C@H](NC[C@H]2CCC[NH2+]C2)C1 250588349 344837239 /nfs/dbraw/zinc/83/72/39/344837239.db2.gz GZBUWKIJEOLSKF-QWRGUYRKSA-N 1 3 197.326 0.280 10 0 ACAEHO CN1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 250603677 344837255 /nfs/dbraw/zinc/83/72/55/344837255.db2.gz KSEYZROOWSEDNF-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO Cn1ccnc1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 250616391 344837522 /nfs/dbraw/zinc/83/75/22/344837522.db2.gz FHYSMSQIAVGWBN-JIGDXULJSA-N 1 3 178.239 0.050 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N[C@H]2CCOC2)C1 250625799 344837568 /nfs/dbraw/zinc/83/75/68/344837568.db2.gz BJKQOVCYUWAQCY-VGMNWLOBSA-N 1 3 170.256 0.245 10 0 ACAEHO CN1CCCN(C[C@H]2CC[NH2+]C2)CC1 250628915 344837615 /nfs/dbraw/zinc/83/76/15/344837615.db2.gz QRHNEHXIRNHFAT-NSHDSACASA-N 1 3 197.326 0.233 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N[C@H]2CCOC2)C1 250625797 344837678 /nfs/dbraw/zinc/83/76/78/344837678.db2.gz BJKQOVCYUWAQCY-HLTSFMKQSA-N 1 3 170.256 0.245 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@H]2CCC(=O)C2)C1 250633983 344837922 /nfs/dbraw/zinc/83/79/22/344837922.db2.gz DYMXGEXQECISBU-IUCAKERBSA-N 1 3 182.267 0.389 10 0 ACAEHO CN1CC[C@H](N[C@H]2CC[C@H]([NH3+])C2)C1 250643788 344837939 /nfs/dbraw/zinc/83/79/39/344837939.db2.gz UOKBCAREPJACNW-GUBZILKMSA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H](N[C@H]2CC[C@@H]([NH3+])C2)C1 250643791 344838006 /nfs/dbraw/zinc/83/80/06/344838006.db2.gz UOKBCAREPJACNW-UTLUCORTSA-N 1 3 183.299 0.160 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@H]2CCCC(=O)C2)C1 250642130 344838021 /nfs/dbraw/zinc/83/80/21/344838021.db2.gz HWVKGQHIDPSWBC-UWVGGRQHSA-N 1 3 196.294 0.779 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@H]2CCCC(=O)C2)C1 250642130 344838024 /nfs/dbraw/zinc/83/80/24/344838024.db2.gz HWVKGQHIDPSWBC-UWVGGRQHSA-N 1 3 196.294 0.779 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@H]2CCCC(=O)C2)C1 250642130 344838026 /nfs/dbraw/zinc/83/80/26/344838026.db2.gz HWVKGQHIDPSWBC-UWVGGRQHSA-N 1 3 196.294 0.779 10 0 ACAEHO CN1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 250644432 344838354 /nfs/dbraw/zinc/83/83/54/344838354.db2.gz UVHSRZNNIHRNJV-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CCC[C@@H]([NH2+][C@H]2CCCNC2)C1 250644432 344838355 /nfs/dbraw/zinc/83/83/55/344838355.db2.gz UVHSRZNNIHRNJV-WDEREUQCSA-N 1 3 197.326 0.422 10 0 ACAEHO CN1CC[C@@H](C[NH2+][C@H]2CCN(C)C2)C1 250649817 344838423 /nfs/dbraw/zinc/83/84/23/344838423.db2.gz WIOCWFHSKRVEPQ-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@H](NC[C@@H]2CC[N@H+](C)C2)C1 250649817 344838424 /nfs/dbraw/zinc/83/84/24/344838424.db2.gz WIOCWFHSKRVEPQ-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@H](NC[C@@H]2CC[N@@H+](C)C2)C1 250649817 344838426 /nfs/dbraw/zinc/83/84/26/344838426.db2.gz WIOCWFHSKRVEPQ-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@H](N2CCCC[C@H]2C[NH3+])C1 250647472 344838442 /nfs/dbraw/zinc/83/84/42/344838442.db2.gz VVHRTIIVRMPYDT-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CC[C@@H](N2CCCC[C@H]2C[NH3+])C1 250647473 344838459 /nfs/dbraw/zinc/83/84/59/344838459.db2.gz VVHRTIIVRMPYDT-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CC[C@H](NC[C@H]2CC[N@@H+](C)C2)C1 250649815 344838616 /nfs/dbraw/zinc/83/86/16/344838616.db2.gz WIOCWFHSKRVEPQ-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@H]([NH2+]C[C@H]2CCN(C)C2)C1 250649815 344838611 /nfs/dbraw/zinc/83/86/11/344838611.db2.gz WIOCWFHSKRVEPQ-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@H](NC[C@H]2CC[N@H+](C)C2)C1 250649815 344838613 /nfs/dbraw/zinc/83/86/13/344838613.db2.gz WIOCWFHSKRVEPQ-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CCN[C@@]1(CO)CC[N@@H+]2CCC[C@H]2C1 250668794 344839339 /nfs/dbraw/zinc/83/93/39/344839339.db2.gz SAWYLOJQYFPDIZ-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO CC[NH2+][C@@]1(CO)CCN2CCC[C@H]2C1 250668794 344839343 /nfs/dbraw/zinc/83/93/43/344839343.db2.gz SAWYLOJQYFPDIZ-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2O)C1 250670122 344839414 /nfs/dbraw/zinc/83/94/14/344839414.db2.gz UEFMVYCSDUGEQP-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2O)C1 250670122 344839416 /nfs/dbraw/zinc/83/94/16/344839416.db2.gz UEFMVYCSDUGEQP-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+][C@@H]1CCN([C@@H]2CC[C@H]3C[C@H]32)C1 250665533 344839487 /nfs/dbraw/zinc/83/94/87/344839487.db2.gz RROLQXLCWQXPDB-SGIHWFKDSA-N 1 3 166.268 0.818 10 0 ACAEHO CCN[C@]1(CO)CC[N@@H+]2CCC[C@H]2C1 250668798 344839515 /nfs/dbraw/zinc/83/95/15/344839515.db2.gz SAWYLOJQYFPDIZ-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO CCN[C@]1(CO)CC[N@H+]2CCC[C@H]2C1 250668798 344839516 /nfs/dbraw/zinc/83/95/16/344839516.db2.gz SAWYLOJQYFPDIZ-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO CC[NH2+][C@]1(CO)CCN2CCC[C@H]2C1 250668798 344839517 /nfs/dbraw/zinc/83/95/17/344839517.db2.gz SAWYLOJQYFPDIZ-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2O)C1 250670115 344839520 /nfs/dbraw/zinc/83/95/20/344839520.db2.gz UEFMVYCSDUGEQP-GUBZILKMSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2O)C1 250670115 344839521 /nfs/dbraw/zinc/83/95/21/344839521.db2.gz UEFMVYCSDUGEQP-GUBZILKMSA-N 1 3 184.283 0.180 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 250680086 344839616 /nfs/dbraw/zinc/83/96/16/344839616.db2.gz XWJZXHANDMEXQY-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2O)C1 250680086 344839619 /nfs/dbraw/zinc/83/96/19/344839619.db2.gz XWJZXHANDMEXQY-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H]2O)C1 250680082 344839750 /nfs/dbraw/zinc/83/97/50/344839750.db2.gz XWJZXHANDMEXQY-KXUCPTDWSA-N 1 3 184.283 0.323 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@H]2CCC[C@H]2O)C1 250680082 344839752 /nfs/dbraw/zinc/83/97/52/344839752.db2.gz XWJZXHANDMEXQY-KXUCPTDWSA-N 1 3 184.283 0.323 10 0 ACAEHO C[NH2+]C[C@H]1CCN([C@H]2CCN(C)C2)C1 250718579 344839996 /nfs/dbraw/zinc/83/99/96/344839996.db2.gz HPHPFBKGQJFPED-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+][C@H]1CCCN([C@H]2CCN(C)C2)C1 250706779 344840065 /nfs/dbraw/zinc/84/00/65/344840065.db2.gz FCGRHSPJNVPKCC-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+][C@H]1CCN([C@H]2CCCN(C)C2)C1 250699804 344840072 /nfs/dbraw/zinc/84/00/72/344840072.db2.gz CMWFLCBNJOJXAD-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+][C@@H]1CCN([C@H]2CCCN(C)C2)C1 250699801 344840091 /nfs/dbraw/zinc/84/00/91/344840091.db2.gz CMWFLCBNJOJXAD-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO C[NH2+]C[C@@H]1CCN([C@H]2CCN(C)C2)C1 250718582 344840122 /nfs/dbraw/zinc/84/01/22/344840122.db2.gz HPHPFBKGQJFPED-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO CNC[C@H]1CC[N@@H+]2CCC[C@@H]12 250729828 344840140 /nfs/dbraw/zinc/84/01/40/344840140.db2.gz KFIIDZHVIBDYCT-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@H]1CC[N@H+]2CCC[C@@H]12 250729828 344840141 /nfs/dbraw/zinc/84/01/41/344840141.db2.gz KFIIDZHVIBDYCT-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[NH2+][C@@H]1CCCN([C@H]2CCN(C)C2)C1 250706777 344840147 /nfs/dbraw/zinc/84/01/47/344840147.db2.gz FCGRHSPJNVPKCC-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CNC[C@@H]1CC[N@@H+]2CCC[C@@H]12 250729833 344840167 /nfs/dbraw/zinc/84/01/67/344840167.db2.gz KFIIDZHVIBDYCT-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CNC[C@@H]1CC[N@H+]2CCC[C@@H]12 250729833 344840168 /nfs/dbraw/zinc/84/01/68/344840168.db2.gz KFIIDZHVIBDYCT-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[NH2+]C[C@H]1CCN([C@H]2CCCOC2)C1 250779374 344841063 /nfs/dbraw/zinc/84/10/63/344841063.db2.gz XERQALXUZGITLS-MNOVXSKESA-N 1 3 198.310 0.707 10 0 ACAEHO C[NH2+]C[C@@H]1CCN([C@H]2CCCOC2)C1 250779377 344841106 /nfs/dbraw/zinc/84/11/06/344841106.db2.gz XERQALXUZGITLS-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO CC1(C)CC[N@@H+]([C@@H]2COCC[C@H]2N)C1 250791407 344841389 /nfs/dbraw/zinc/84/13/89/344841389.db2.gz JEMGWFYKQSJLMW-NXEZZACHSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1(C)CC[N@H+]([C@@H]2COCC[C@H]2N)C1 250791407 344841390 /nfs/dbraw/zinc/84/13/90/344841390.db2.gz JEMGWFYKQSJLMW-NXEZZACHSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1(C)CC[N@@H+]([C@H]2COCC[C@H]2N)C1 250791408 344841403 /nfs/dbraw/zinc/84/14/03/344841403.db2.gz JEMGWFYKQSJLMW-ZJUUUORDSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1(C)CC[N@H+]([C@H]2COCC[C@H]2N)C1 250791408 344841404 /nfs/dbraw/zinc/84/14/04/344841404.db2.gz JEMGWFYKQSJLMW-ZJUUUORDSA-N 1 3 198.310 0.835 10 0 ACAEHO NC[C@H](O)C[N@@H+]1CC[C@H]2CCCC[C@@H]21 250793855 344841429 /nfs/dbraw/zinc/84/14/29/344841429.db2.gz AAUNLKBQULIAIT-VWYCJHECSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H](O)C[N@H+]1CC[C@H]2CCCC[C@@H]21 250793855 344841430 /nfs/dbraw/zinc/84/14/30/344841430.db2.gz AAUNLKBQULIAIT-VWYCJHECSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H](O)C[N@@H+]1CC[C@H]2CCCC[C@H]21 250793854 344841493 /nfs/dbraw/zinc/84/14/93/344841493.db2.gz AAUNLKBQULIAIT-OUAUKWLOSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H](O)C[N@H+]1CC[C@H]2CCCC[C@H]21 250793854 344841495 /nfs/dbraw/zinc/84/14/95/344841495.db2.gz AAUNLKBQULIAIT-OUAUKWLOSA-N 1 3 198.310 0.571 10 0 ACAEHO [NH3+]CC[C@@H]1CCCCN1[C@H]1CCOC1 250842282 344842314 /nfs/dbraw/zinc/84/23/14/344842314.db2.gz MFPZAEUCKZWQIN-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@H]2CCSC2)C1 250845915 344842365 /nfs/dbraw/zinc/84/23/65/344842365.db2.gz NAGYDSFZTKIJKD-BDAKNGLRSA-N 1 3 186.324 0.773 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@H]2CCSC2)C1 250845915 344842367 /nfs/dbraw/zinc/84/23/67/344842367.db2.gz NAGYDSFZTKIJKD-BDAKNGLRSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C[C@H]1CCN([C@H]2CCSC2)C1 250845915 344842368 /nfs/dbraw/zinc/84/23/68/344842368.db2.gz NAGYDSFZTKIJKD-BDAKNGLRSA-N 1 3 186.324 0.773 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@H]2CCSC2)C1 250845916 344842428 /nfs/dbraw/zinc/84/24/28/344842428.db2.gz NAGYDSFZTKIJKD-IUCAKERBSA-N 1 3 186.324 0.773 10 0 ACAEHO NC[C@@H]1CC[N@H+]([C@H]2CCSC2)C1 250845916 344842430 /nfs/dbraw/zinc/84/24/30/344842430.db2.gz NAGYDSFZTKIJKD-IUCAKERBSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@H]2CCSC2)C1 250845916 344842431 /nfs/dbraw/zinc/84/24/31/344842431.db2.gz NAGYDSFZTKIJKD-IUCAKERBSA-N 1 3 186.324 0.773 10 0 ACAEHO [NH3+]CC[C@H]1CCCCN1[C@H]1CCOC1 250842280 344842469 /nfs/dbraw/zinc/84/24/69/344842469.db2.gz MFPZAEUCKZWQIN-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO O[C@@H]1CCN([C@H]2CCC[NH2+]CC2)C1 250990483 344843898 /nfs/dbraw/zinc/84/38/98/344843898.db2.gz CJNSKCJCTDBSRP-VHSXEESVSA-N 1 3 184.283 0.195 10 0 ACAEHO [NH3+]C[C@@H]1CCN([C@H]2CCCOC2)C1 250998440 344843941 /nfs/dbraw/zinc/84/39/41/344843941.db2.gz DEWWHAIGVZXQAS-UWVGGRQHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@H]([NH3+])CN1CCN2CCCC[C@H]2C1 251076172 344846244 /nfs/dbraw/zinc/84/62/44/344846244.db2.gz GMFTXWQICFWXJQ-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CCC[C@H](O)C2)C1 251086919 344846429 /nfs/dbraw/zinc/84/64/29/344846429.db2.gz HUSOFQQUJMYTFO-UTLUCORTSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1N 251082858 344846489 /nfs/dbraw/zinc/84/64/89/344846489.db2.gz IHKKJCCLGFPEFY-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1N 251082858 344846492 /nfs/dbraw/zinc/84/64/92/344846492.db2.gz IHKKJCCLGFPEFY-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CCC[C@H](O)C2)C1 251086917 344846524 /nfs/dbraw/zinc/84/65/24/344846524.db2.gz HUSOFQQUJMYTFO-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1N 251082863 344846543 /nfs/dbraw/zinc/84/65/43/344846543.db2.gz IHKKJCCLGFPEFY-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1N 251082863 344846544 /nfs/dbraw/zinc/84/65/44/344846544.db2.gz IHKKJCCLGFPEFY-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](C[NH3+])N(C)[C@H]1CCCN(C)C1 251095089 344846945 /nfs/dbraw/zinc/84/69/45/344846945.db2.gz LDVIXYJBWJEOFV-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H](C[NH3+])N(C)[C@H]1CCCN(C)C1 251095093 344846976 /nfs/dbraw/zinc/84/69/76/344846976.db2.gz LDVIXYJBWJEOFV-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO NC[C@@H]1CC[N@@H+]([C@H]2CCCOCC2)C1 251098422 344847013 /nfs/dbraw/zinc/84/70/13/344847013.db2.gz JNVLJRSRYVSMJY-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H](N)C[N@H+](C)[C@H]1CCSC1 251120185 344847617 /nfs/dbraw/zinc/84/76/17/344847617.db2.gz QTXZJKIMHKXXMM-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@H](N)C[N@@H+](C)[C@H]1CCSC1 251120185 344847618 /nfs/dbraw/zinc/84/76/18/344847618.db2.gz QTXZJKIMHKXXMM-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H](N)C[N@H+](C)[C@H]1CCSC1 251120182 344847764 /nfs/dbraw/zinc/84/77/64/344847764.db2.gz QTXZJKIMHKXXMM-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H](N)C[N@@H+](C)[C@H]1CCSC1 251120182 344847766 /nfs/dbraw/zinc/84/77/66/344847766.db2.gz QTXZJKIMHKXXMM-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 251156005 344848192 /nfs/dbraw/zinc/84/81/92/344848192.db2.gz KTWJVUWIZDOSPQ-GMTAPVOTSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCCC[C@@H](CN)C1 251136493 344848209 /nfs/dbraw/zinc/84/82/09/344848209.db2.gz VLIPSXFHTWOUSW-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCCC[C@@H](CN)C1 251136493 344848210 /nfs/dbraw/zinc/84/82/10/344848210.db2.gz VLIPSXFHTWOUSW-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N[C@H]2CCCOC2)C1 251216742 344849390 /nfs/dbraw/zinc/84/93/90/344849390.db2.gz LVAWTEBZFCVDIN-UTLUCORTSA-N 1 3 184.283 0.635 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N[C@H]2CCCOC2)C1 251216738 344849770 /nfs/dbraw/zinc/84/97/70/344849770.db2.gz LVAWTEBZFCVDIN-BBBLOLIVSA-N 1 3 184.283 0.635 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@H]2CCCC[C@H]2O)C1 251413233 344853882 /nfs/dbraw/zinc/85/38/82/344853882.db2.gz RHSGGOHFQXONKF-OUAUKWLOSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@H]2CCCC[C@H]2O)C1 251413233 344853883 /nfs/dbraw/zinc/85/38/83/344853883.db2.gz RHSGGOHFQXONKF-OUAUKWLOSA-N 1 3 198.310 0.713 10 0 ACAEHO CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1CC 251472821 344854650 /nfs/dbraw/zinc/85/46/50/344854650.db2.gz BOXYGQHOKABVGF-IVZWLZJFSA-N 1 3 168.284 0.936 10 0 ACAEHO CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1CC 251472824 344854671 /nfs/dbraw/zinc/85/46/71/344854671.db2.gz BOXYGQHOKABVGF-LPEHRKFASA-N 1 3 168.284 0.936 10 0 ACAEHO [NH3+]C[C@@H]1CCCN([C@H]2CCCOC2)C1 251541758 344856989 /nfs/dbraw/zinc/85/69/89/344856989.db2.gz YINLENYYWGVURQ-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1N 251543779 344857025 /nfs/dbraw/zinc/85/70/25/344857025.db2.gz BQACZVXDTOYWIN-LMLFDSFASA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C[C@@H]1N 251543779 344857027 /nfs/dbraw/zinc/85/70/27/344857027.db2.gz BQACZVXDTOYWIN-LMLFDSFASA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+](CC(C)(C)O)C[C@H]1N 251549118 344857054 /nfs/dbraw/zinc/85/70/54/344857054.db2.gz BYPSXPGHRBTJQP-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC(C)(C)O)C[C@H]1N 251549118 344857057 /nfs/dbraw/zinc/85/70/57/344857057.db2.gz BYPSXPGHRBTJQP-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO [NH3+]C[C@H]1CCCN([C@H]2CCCOC2)C1 251541747 344857199 /nfs/dbraw/zinc/85/71/99/344857199.db2.gz YINLENYYWGVURQ-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO COC[C@@H](C)[N@@H+]1CCNC[C@H](C)C1 251552786 344857216 /nfs/dbraw/zinc/85/72/16/344857216.db2.gz BHZZKLVSBMPYAI-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO COC[C@@H](C)[N@H+]1CCNC[C@H](C)C1 251552786 344857219 /nfs/dbraw/zinc/85/72/19/344857219.db2.gz BHZZKLVSBMPYAI-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2O)C[C@H]1N 251543766 344857250 /nfs/dbraw/zinc/85/72/50/344857250.db2.gz BQACZVXDTOYWIN-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C[C@H]1N 251543766 344857252 /nfs/dbraw/zinc/85/72/52/344857252.db2.gz BQACZVXDTOYWIN-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@H]1CC[N@H+](CC(C)(C)O)C[C@H]1N 251549107 344857285 /nfs/dbraw/zinc/85/72/85/344857285.db2.gz BYPSXPGHRBTJQP-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CC[N@@H+](CC(C)(C)O)C[C@H]1N 251549107 344857286 /nfs/dbraw/zinc/85/72/86/344857286.db2.gz BYPSXPGHRBTJQP-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2O)C[C@H]1N 251543759 344857380 /nfs/dbraw/zinc/85/73/80/344857380.db2.gz BQACZVXDTOYWIN-DBIOUOCHSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2O)C[C@H]1N 251543759 344857382 /nfs/dbraw/zinc/85/73/82/344857382.db2.gz BQACZVXDTOYWIN-DBIOUOCHSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CN(CCN(C)C)CC[C@H]1[NH3+] 251554674 344857601 /nfs/dbraw/zinc/85/76/01/344857601.db2.gz BKEJTGXBFMBTKI-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1CN(CCN(C)C)CC[C@H]1[NH3+] 251554686 344857775 /nfs/dbraw/zinc/85/77/75/344857775.db2.gz BKEJTGXBFMBTKI-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@H](C)CN)C1 251568595 344858483 /nfs/dbraw/zinc/85/84/83/344858483.db2.gz DFGYBIHSXQHXKN-DTWKUNHWSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@H](C)CN)C1 251568595 344858484 /nfs/dbraw/zinc/85/84/84/344858484.db2.gz DFGYBIHSXQHXKN-DTWKUNHWSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[C@H]1CN([C@H](C)C[NH3+])CCN1C 251606057 344860527 /nfs/dbraw/zinc/86/05/27/344860527.db2.gz DJEYWICLYVVECW-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[C@@H]1CN([C@H](C)C[NH3+])CCN1C 251606056 344860559 /nfs/dbraw/zinc/86/05/59/344860559.db2.gz DJEYWICLYVVECW-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]1CN(C2CC2)CC[C@H]1[NH3+] 251636294 344861905 /nfs/dbraw/zinc/86/19/05/344861905.db2.gz FROHXGHZMQHEDB-VXNVDRBHSA-N 1 3 154.257 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344875371 /nfs/dbraw/zinc/87/53/71/344875371.db2.gz PULFGSXCMZZXKQ-HBNTYKKESA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]1C[N@H+](C2CCOCC2)CC[C@H]1N 251849956 344876412 /nfs/dbraw/zinc/87/64/12/344876412.db2.gz RIXIWOKWVPIPRR-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1CN(C2CCOCC2)CC[C@H]1[NH3+] 251849956 344876413 /nfs/dbraw/zinc/87/64/13/344876413.db2.gz RIXIWOKWVPIPRR-GXSJLCMTSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCOCC2)CC[C@H]1N 251849957 344876492 /nfs/dbraw/zinc/87/64/92/344876492.db2.gz RIXIWOKWVPIPRR-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCOCC2)CC[C@H]1N 251849957 344876493 /nfs/dbraw/zinc/87/64/93/344876493.db2.gz RIXIWOKWVPIPRR-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@@H]1CN(C2CCOCC2)CC[C@H]1[NH3+] 251849957 344876495 /nfs/dbraw/zinc/87/64/95/344876495.db2.gz RIXIWOKWVPIPRR-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CCN(C)[C@H](C)C1 251868921 344878153 /nfs/dbraw/zinc/87/81/53/344878153.db2.gz TWYUTFRUXOUXIE-GARJFASQSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CCN(C)[C@H](C)C1 251868925 344878166 /nfs/dbraw/zinc/87/81/66/344878166.db2.gz TWYUTFRUXOUXIE-HBNTYKKESA-N 1 3 199.342 0.748 10 0 ACAEHO CC[C@@H]1CN([C@H]2CC[NH2+]C2)CCN1C 251896139 344879410 /nfs/dbraw/zinc/87/94/10/344879410.db2.gz WKLKFSVXDDQYLF-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CN2CCC[C@H]2CN1C(N)=[NH2+] 251905181 344879481 /nfs/dbraw/zinc/87/94/81/344879481.db2.gz WSYLKZCPVNNDAQ-SFYZADRCSA-N 1 3 182.271 0.048 10 0 ACAEHO C[C@@H]1CN([C@H](C)CC[NH3+])CCCO1 251894830 344879526 /nfs/dbraw/zinc/87/95/26/344879526.db2.gz VVYNPQSGNBBRKL-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[C@H]1CN([C@H]2CC[NH2+]C2)CCN1C 251896140 344879669 /nfs/dbraw/zinc/87/96/69/344879669.db2.gz WKLKFSVXDDQYLF-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]([NH3+])CCN1CCCO[C@H](C)C1 251893434 344879696 /nfs/dbraw/zinc/87/96/96/344879696.db2.gz VTWMBDQGRHRKPU-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO 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C[C@H](O)[C@H](C)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 252109085 344885017 /nfs/dbraw/zinc/88/50/17/344885017.db2.gz JIBOOMVMOVAYAV-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@H](C)[C@@H](C)O)C1 252109086 344885040 /nfs/dbraw/zinc/88/50/40/344885040.db2.gz JIBOOMVMOVAYAV-KYXWUPHJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@H](C)[C@@H](C)O)C1 252109086 344885044 /nfs/dbraw/zinc/88/50/44/344885044.db2.gz JIBOOMVMOVAYAV-KYXWUPHJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CCCOC1 252110809 344885851 /nfs/dbraw/zinc/88/58/51/344885851.db2.gz JNAPFQHMEOITCD-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@H]1CCCOC1 252110810 344885940 /nfs/dbraw/zinc/88/59/40/344885940.db2.gz JNAPFQHMEOITCD-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H](N)C1 252123914 344886504 /nfs/dbraw/zinc/88/65/04/344886504.db2.gz LDWKNGZNKGFKRF-XGEHTFHBSA-N 1 3 154.257 0.864 10 0 ACAEHO 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252129497 344887308 /nfs/dbraw/zinc/88/73/08/344887308.db2.gz KOXFUYTWFOFDTR-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1C[C@H]1NC[C@H]1CC[NH2+]C1 252133482 344887316 /nfs/dbraw/zinc/88/73/16/344887316.db2.gz MGWWVMVXBYLPEH-HRDYMLBCSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCO1 252154854 344888326 /nfs/dbraw/zinc/88/83/26/344888326.db2.gz PAPYEQNUVMIJGT-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCCO1 252154855 344888459 /nfs/dbraw/zinc/88/84/59/344888459.db2.gz PAPYEQNUVMIJGT-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@@H](C)[C@H](CN)C[NH2+]1 252162168 344888860 /nfs/dbraw/zinc/88/88/60/344888860.db2.gz PZADCEPTOXWSGZ-BWZBUEFSSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@H]1C[C@@H](C)[NH2+]C[C@H]1CN 252162169 344888876 /nfs/dbraw/zinc/88/88/76/344888876.db2.gz PZADCEPTOXWSGZ-XLPZGREQSA-N 1 3 142.246 0.579 10 0 ACAEHO C[C@@H]1OCC[C@@H]1[N@@H+]1C[C@H](CN)C[C@H]1C 252171748 344889382 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/nfs/dbraw/zinc/89/22/59/344892259.db2.gz XYTNXGHAWKZPPE-CIUDSAMLSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@@H](CN)C[C@H]1C 252215766 344893185 /nfs/dbraw/zinc/89/31/85/344893185.db2.gz ZEHHPLAIVDMEIG-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@@H](CN)C[C@H]1C 252215766 344893187 /nfs/dbraw/zinc/89/31/87/344893187.db2.gz ZEHHPLAIVDMEIG-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@H](CN)C[C@H]1C 252215767 344893219 /nfs/dbraw/zinc/89/32/19/344893219.db2.gz ZEHHPLAIVDMEIG-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@H](CN)C[C@H]1C 252215767 344893220 /nfs/dbraw/zinc/89/32/20/344893220.db2.gz ZEHHPLAIVDMEIG-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H]1C[C@](N)(C[NH3+])C[C@@H](C)O1 252219416 344893521 /nfs/dbraw/zinc/89/35/21/344893521.db2.gz ZZHSZFCCZVNGRD-JIGDXULJSA-N 1 3 158.245 0.230 10 0 ACAEHO CC[C@H](C)[N@H+](C)[C@H]1COCC[C@H]1N 252406393 344894851 /nfs/dbraw/zinc/89/48/51/344894851.db2.gz GIWILNXFDHORSD-AEJSXWLSSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H](C)[N@@H+](C)[C@H]1COCC[C@H]1N 252406393 344894853 /nfs/dbraw/zinc/89/48/53/344894853.db2.gz GIWILNXFDHORSD-AEJSXWLSSA-N 1 3 186.299 0.833 10 0 ACAEHO c1cc(N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)ccn1 252419504 344894874 /nfs/dbraw/zinc/89/48/74/344894874.db2.gz WNAWOHZTSKDAHU-MYJAWHEDSA-N 1 3 175.235 0.711 10 0 ACAEHO CC[C@H](C)[N@H+](C)[C@H]1COCC[C@@H]1N 252406394 344894912 /nfs/dbraw/zinc/89/49/12/344894912.db2.gz GIWILNXFDHORSD-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H](C)[N@@H+](C)[C@H]1COCC[C@@H]1N 252406394 344894914 /nfs/dbraw/zinc/89/49/14/344894914.db2.gz GIWILNXFDHORSD-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H](C)[N@H+](C)[C@@H]1COCC[C@H]1N 252406395 344895173 /nfs/dbraw/zinc/89/51/73/344895173.db2.gz GIWILNXFDHORSD-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@H](C)[N@@H+](C)[C@@H]1COCC[C@H]1N 252406395 344895176 /nfs/dbraw/zinc/89/51/76/344895176.db2.gz GIWILNXFDHORSD-IVZWLZJFSA-N 1 3 186.299 0.833 10 0 ACAEHO N[C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 252449393 344897318 /nfs/dbraw/zinc/89/73/18/344897318.db2.gz FXDVRNFXBVTNTD-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO N[C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 252449393 344897320 /nfs/dbraw/zinc/89/73/20/344897320.db2.gz FXDVRNFXBVTNTD-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO N[C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 252449394 344897461 /nfs/dbraw/zinc/89/74/61/344897461.db2.gz FXDVRNFXBVTNTD-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO N[C@H]1CCC[N@H+]([C@H]2CCSC2)C1 252449394 344897463 /nfs/dbraw/zinc/89/74/63/344897463.db2.gz FXDVRNFXBVTNTD-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO NC(=[NH2+])[C@H]1CCCN([C@H]2CCOC2)C1 252465602 344898449 /nfs/dbraw/zinc/89/84/49/344898449.db2.gz OGSJEYIEPCPEIR-IUCAKERBSA-N 1 3 197.282 0.423 10 0 ACAEHO NC(=[NH2+])[C@@H]1CCCN([C@H]2CCOC2)C1 252465601 344898610 /nfs/dbraw/zinc/89/86/10/344898610.db2.gz OGSJEYIEPCPEIR-BDAKNGLRSA-N 1 3 197.282 0.423 10 0 ACAEHO C[C@H](N)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 252547552 344901085 /nfs/dbraw/zinc/90/10/85/344901085.db2.gz LPYWDPMQQLZMTE-CIUDSAMLSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@H](N)[C@@H]1C[N@H+]2CCC[C@H]2CO1 252547552 344901087 /nfs/dbraw/zinc/90/10/87/344901087.db2.gz LPYWDPMQQLZMTE-CIUDSAMLSA-N 1 3 170.256 0.197 10 0 ACAEHO CC(C)N1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252557937 344901664 /nfs/dbraw/zinc/90/16/64/344901664.db2.gz OEUPITZLLMTSSE-GUBZILKMSA-N 1 3 168.284 0.935 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1CCN(C)C 252553081 344901693 /nfs/dbraw/zinc/90/16/93/344901693.db2.gz FGRRDKMHLPVCKE-OUAUKWLOSA-N 1 3 197.326 0.088 10 0 ACAEHO COCCN1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252561894 344901705 /nfs/dbraw/zinc/90/17/05/344901705.db2.gz WAIWTZDBHPOPSF-UTLUCORTSA-N 1 3 184.283 0.173 10 0 ACAEHO COCCN1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252561892 344901710 /nfs/dbraw/zinc/90/17/10/344901710.db2.gz WAIWTZDBHPOPSF-GUBZILKMSA-N 1 3 184.283 0.173 10 0 ACAEHO CC(C)N1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252557939 344901817 /nfs/dbraw/zinc/90/18/17/344901817.db2.gz OEUPITZLLMTSSE-UTLUCORTSA-N 1 3 168.284 0.935 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1CCN(C)C 252553082 344901823 /nfs/dbraw/zinc/90/18/23/344901823.db2.gz FGRRDKMHLPVCKE-VWYCJHECSA-N 1 3 197.326 0.088 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1C 252559240 344901842 /nfs/dbraw/zinc/90/18/42/344901842.db2.gz QIRMHVCJEDMKOC-GJMOJQLCSA-N 1 3 140.230 0.156 10 0 ACAEHO CC(C)N1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252557938 344901916 /nfs/dbraw/zinc/90/19/16/344901916.db2.gz OEUPITZLLMTSSE-KXUCPTDWSA-N 1 3 168.284 0.935 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1C 252559239 344901951 /nfs/dbraw/zinc/90/19/51/344901951.db2.gz QIRMHVCJEDMKOC-CSMHCCOUSA-N 1 3 140.230 0.156 10 0 ACAEHO COCCN1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252561893 344901989 /nfs/dbraw/zinc/90/19/89/344901989.db2.gz WAIWTZDBHPOPSF-KXUCPTDWSA-N 1 3 184.283 0.173 10 0 ACAEHO C[C@H]1[C@H](C)[C@H]([NH3+])CCN1C 252600859 344904318 /nfs/dbraw/zinc/90/43/18/344904318.db2.gz LYRGEXSZZAEQRM-BIIVOSGPSA-N 1 3 142.246 0.674 10 0 ACAEHO CCN(C)C[C@@H]1CC[NH2+][C@H]1C 252610747 344904729 /nfs/dbraw/zinc/90/47/29/344904729.db2.gz UZMIDUNSPHOHKQ-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)C[C@H]1CC[NH2+][C@H]1C 252610746 344904827 /nfs/dbraw/zinc/90/48/27/344904827.db2.gz UZMIDUNSPHOHKQ-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 252676846 344907877 /nfs/dbraw/zinc/90/78/77/344907877.db2.gz MHMMLWPXQYRLMN-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@H]1CCC[C@H]1O 252686215 344908129 /nfs/dbraw/zinc/90/81/29/344908129.db2.gz JIKJIRUCZXZDPK-LPEHRKFASA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](O)[C@H](C)N1CC[C@@H]([NH3+])C[C@H]1C 252688121 344908174 /nfs/dbraw/zinc/90/81/74/344908174.db2.gz NGLBFZBGMPCACM-XFWSIPNHSA-N 1 3 186.299 0.567 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@@H]1CCC[C@H]1O 252686214 344908188 /nfs/dbraw/zinc/90/81/88/344908188.db2.gz JIKJIRUCZXZDPK-IVZWLZJFSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H](O)[C@@H](C)N1CCC[C@H]1C[NH3+] 252684586 344908237 /nfs/dbraw/zinc/90/82/37/344908237.db2.gz GREYHFXWYNVBCQ-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)N1CCC[C@H]1C[NH3+] 252684585 344908255 /nfs/dbraw/zinc/90/82/55/344908255.db2.gz GREYHFXWYNVBCQ-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C 252688122 344908301 /nfs/dbraw/zinc/90/83/01/344908301.db2.gz NGLBFZBGMPCACM-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CCN(C)C1 252690270 344908717 /nfs/dbraw/zinc/90/87/17/344908717.db2.gz UMNOEOROHPQKGS-MXWKQRLJSA-N 1 3 197.326 0.502 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@@H]1CCCC[C@H]1O 252689808 344908839 /nfs/dbraw/zinc/90/88/39/344908839.db2.gz SEVOGRQUTZBEBL-HBNTYKKESA-N 1 3 198.310 0.713 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@H]1CCN(C)C1 252690271 344909019 /nfs/dbraw/zinc/90/90/19/344909019.db2.gz UMNOEOROHPQKGS-VWYCJHECSA-N 1 3 197.326 0.502 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1[C@H]1CCCC[C@H]1O 252689807 344909051 /nfs/dbraw/zinc/90/90/51/344909051.db2.gz SEVOGRQUTZBEBL-GARJFASQSA-N 1 3 198.310 0.713 10 0 ACAEHO NC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 252701757 344909681 /nfs/dbraw/zinc/90/96/81/344909681.db2.gz FFENJVBOTNQREN-GUBZILKMSA-N 1 3 184.283 0.038 10 0 ACAEHO CN1CCN(C)[C@H](C[C@@H]([NH3+])C2CC2)C1 252717367 344910086 /nfs/dbraw/zinc/91/00/86/344910086.db2.gz BCDKOOLEARGUJB-GHMZBOCLSA-N 1 3 197.326 0.360 10 0 ACAEHO CN1CCN(C)[C@@H](C[C@H]([NH3+])C2CC2)C1 252717368 344910202 /nfs/dbraw/zinc/91/02/02/344910202.db2.gz BCDKOOLEARGUJB-QWRGUYRKSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)[C@H]1CCO[C@@H]1C 252740452 344911753 /nfs/dbraw/zinc/91/17/53/344911753.db2.gz HDVXVVMNTDJDPW-QEYWKRMJSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)[C@H]1CCO[C@@H]1C 252740452 344911754 /nfs/dbraw/zinc/91/17/54/344911754.db2.gz HDVXVVMNTDJDPW-QEYWKRMJSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+](C)[C@H]1CCO[C@H]1C 252740453 344911810 /nfs/dbraw/zinc/91/18/10/344911810.db2.gz HDVXVVMNTDJDPW-XKNYDFJKSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+](C)[C@H]1CCO[C@H]1C 252740453 344911812 /nfs/dbraw/zinc/91/18/12/344911812.db2.gz HDVXVVMNTDJDPW-XKNYDFJKSA-N 1 3 186.299 0.831 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[C@@H]([NH3+])C1 252744585 344911831 /nfs/dbraw/zinc/91/18/31/344911831.db2.gz OAJHKCVRMAXXCT-JXUBOQSCSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[C@H]([NH3+])C1 252744586 344911971 /nfs/dbraw/zinc/91/19/71/344911971.db2.gz OAJHKCVRMAXXCT-XKNYDFJKSA-N 1 3 184.283 0.633 10 0 ACAEHO O[C@@H]1CCCN([C@H]2CCC[NH2+]CC2)C1 252753306 344912491 /nfs/dbraw/zinc/91/24/91/344912491.db2.gz ARNPOJJVEWFGMV-WDEREUQCSA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@@H]1CC[N@@H+]([C@H]2CCCNCC2)C1 252789903 344913811 /nfs/dbraw/zinc/91/38/11/344913811.db2.gz RYOKMZBCIMUKQD-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@@H]1CC[N@H+]([C@H]2CCCNCC2)C1 252789903 344913819 /nfs/dbraw/zinc/91/38/19/344913819.db2.gz RYOKMZBCIMUKQD-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO OC[C@@H]1CCN([C@H]2CCC[NH2+]CC2)C1 252789903 344913821 /nfs/dbraw/zinc/91/38/21/344913821.db2.gz RYOKMZBCIMUKQD-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@@H]2CCO[C@H]2C)C1 252783139 344913858 /nfs/dbraw/zinc/91/38/58/344913858.db2.gz NSPSBXDUJSGFSR-UKKRHICBSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@H]2CCO[C@@H]2C)C1 252783140 344913904 /nfs/dbraw/zinc/91/39/04/344913904.db2.gz NSPSBXDUJSGFSR-ZDCRXTMVSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1OCC[C@@H]1N1CC[C@@H]([C@H](C)[NH3+])C1 252783138 344914066 /nfs/dbraw/zinc/91/40/66/344914066.db2.gz NSPSBXDUJSGFSR-MMWGEVLESA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@H](CO)[N@H+](C)[C@@H]1CCCC[C@H]1N 252807220 344914740 /nfs/dbraw/zinc/91/47/40/344914740.db2.gz ILCYRABPDRMGTJ-OPRDCNLKSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](CO)[N@@H+](C)[C@@H]1CCCC[C@H]1N 252807220 344914741 /nfs/dbraw/zinc/91/47/41/344914741.db2.gz ILCYRABPDRMGTJ-OPRDCNLKSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](CO)[N@H+](C)[C@@H]1CCC[C@H]1N 252803359 344914786 /nfs/dbraw/zinc/91/47/86/344914786.db2.gz BGRANCGJHBRJLG-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@@H+](C)[C@@H]1CCC[C@H]1N 252803359 344914787 /nfs/dbraw/zinc/91/47/87/344914787.db2.gz BGRANCGJHBRJLG-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@H+](C)[C@H]1CCCC[C@@H]1N 252807221 344914793 /nfs/dbraw/zinc/91/47/93/344914793.db2.gz ILCYRABPDRMGTJ-UTLUCORTSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](CO)[N@@H+](C)[C@H]1CCCC[C@@H]1N 252807221 344914794 /nfs/dbraw/zinc/91/47/94/344914794.db2.gz ILCYRABPDRMGTJ-UTLUCORTSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](CO)[N@H+](C)[C@H]1CCC[C@@H]1N 252803360 344914845 /nfs/dbraw/zinc/91/48/45/344914845.db2.gz BGRANCGJHBRJLG-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@@H+](C)[C@H]1CCC[C@@H]1N 252803360 344914847 /nfs/dbraw/zinc/91/48/47/344914847.db2.gz BGRANCGJHBRJLG-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)CC[N@@H+]1C[C@H](C)C[C@@H](N)C1 252863114 344916582 /nfs/dbraw/zinc/91/65/82/344916582.db2.gz KXXROXMITURUIC-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CC[N@H+]1C[C@H](C)C[C@@H](N)C1 252863114 344916583 /nfs/dbraw/zinc/91/65/83/344916583.db2.gz KXXROXMITURUIC-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO CCN(C)C[C@H](C)[C@H](C)[NH3+] 252863179 344916632 /nfs/dbraw/zinc/91/66/32/344916632.db2.gz OLNIFTDVLLCOBZ-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@H](O)CC[N@H+]1C[C@@H](N)C[C@@H](C)C1 252863115 344916640 /nfs/dbraw/zinc/91/66/40/344916640.db2.gz KXXROXMITURUIC-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CC[N@@H+]1C[C@@H](N)C[C@@H](C)C1 252863115 344916643 /nfs/dbraw/zinc/91/66/43/344916643.db2.gz KXXROXMITURUIC-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO CCN(C)C[C@@H](C)[C@H](C)[NH3+] 252863178 344916741 /nfs/dbraw/zinc/91/67/41/344916741.db2.gz OLNIFTDVLLCOBZ-SFYZADRCSA-N 1 3 144.262 0.921 10 0 ACAEHO C[C@H](CCN)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 252864379 344916840 /nfs/dbraw/zinc/91/68/40/344916840.db2.gz LLJGDXBXTUZCMK-VPOLOUISSA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](CCN)[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 252864379 344916841 /nfs/dbraw/zinc/91/68/41/344916841.db2.gz LLJGDXBXTUZCMK-VPOLOUISSA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](CCN)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 252864378 344916867 /nfs/dbraw/zinc/91/68/67/344916867.db2.gz LLJGDXBXTUZCMK-RCWTZXSCSA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](CCN)[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 252864378 344916869 /nfs/dbraw/zinc/91/68/69/344916869.db2.gz LLJGDXBXTUZCMK-RCWTZXSCSA-N 1 3 198.310 0.426 10 0 ACAEHO C[C@H](O)CC[N@H+]1C[C@@H](C)C[C@H](N)C1 252863113 344916891 /nfs/dbraw/zinc/91/68/91/344916891.db2.gz KXXROXMITURUIC-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 252872894 344917373 /nfs/dbraw/zinc/91/73/73/344917373.db2.gz PGZFWCJKOLXRIA-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 252872895 344917459 /nfs/dbraw/zinc/91/74/59/344917459.db2.gz PGZFWCJKOLXRIA-KXUCPTDWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@]1(N2CC[C@H](C[NH3+])C2)CCOC1 252937164 344919819 /nfs/dbraw/zinc/91/98/19/344919819.db2.gz GPHJPCICSBRVMP-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@]1([N@@H+]2CC[C@H](CN)C2)CCOC1 252937164 344919820 /nfs/dbraw/zinc/91/98/20/344919820.db2.gz GPHJPCICSBRVMP-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@]1([N@H+]2CC[C@H](CN)C2)CCOC1 252937164 344919821 /nfs/dbraw/zinc/91/98/21/344919821.db2.gz GPHJPCICSBRVMP-ZJUUUORDSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@H]([C@@H]1CCOC1)N1CC[C@H]([NH3+])C1 252934441 344919905 /nfs/dbraw/zinc/91/99/05/344919905.db2.gz DQTXXOMMAWQPPH-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@]1(NC[C@@H]2CCC[C@H]2[NH3+])CCOC1 252933889 344919912 /nfs/dbraw/zinc/91/99/12/344919912.db2.gz DHEPTDDQJCUOSD-AXFHLTTASA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]([C@H]1CCOC1)N1CC[C@H]([NH3+])C1 252934442 344920067 /nfs/dbraw/zinc/92/00/67/344920067.db2.gz DQTXXOMMAWQPPH-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CN[C@]1(C)CCOC1 252932859 344920071 /nfs/dbraw/zinc/92/00/71/344920071.db2.gz CKPFXUVNGIERNX-GMTAPVOTSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@]1(N2CC[C@H](C[NH3+])C2)CCOC1 252937163 344920176 /nfs/dbraw/zinc/92/01/76/344920176.db2.gz GPHJPCICSBRVMP-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@]1([N@@H+]2CC[C@H](CN)C2)CCOC1 252937163 344920179 /nfs/dbraw/zinc/92/01/79/344920179.db2.gz GPHJPCICSBRVMP-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@]1([N@H+]2CC[C@H](CN)C2)CCOC1 252937163 344920182 /nfs/dbraw/zinc/92/01/82/344920182.db2.gz GPHJPCICSBRVMP-NXEZZACHSA-N 1 3 184.283 0.446 10 0 ACAEHO CNC(=[NH2+])N[C@@H]1CCN(C)C[C@H]1C 252949900 344921357 /nfs/dbraw/zinc/92/13/57/344921357.db2.gz CNGUUPXTXLUXDE-HTQZYQBOSA-N 1 3 184.287 0.070 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@]1(C)CCOC1 252966007 344923014 /nfs/dbraw/zinc/92/30/14/344923014.db2.gz XIVTWHKRMSJGTD-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@]1(C)CCOC1 252966006 344923071 /nfs/dbraw/zinc/92/30/71/344923071.db2.gz XIVTWHKRMSJGTD-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CC[C@H](O)CC2)C1 253117794 344927846 /nfs/dbraw/zinc/92/78/46/344927846.db2.gz GTRQFFDCHRUCSK-ILCXDJLASA-N 1 3 184.283 0.369 10 0 ACAEHO C[C@@H]1CN(C[C@H](C)C2C[NH2+]C2)CCO1 253179104 344929535 /nfs/dbraw/zinc/92/95/35/344929535.db2.gz RYXFXQNTURDDMU-VHSXEESVSA-N 1 3 198.310 0.563 10 0 ACAEHO C[C@@H]1CN(CCC[NH3+])CC[C@H]1O 253178158 344929554 /nfs/dbraw/zinc/92/95/54/344929554.db2.gz HDDRCXCXWJBWNO-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1CN(CCC[NH3+])CC[C@H]1O 253178156 344929743 /nfs/dbraw/zinc/92/97/43/344929743.db2.gz HDDRCXCXWJBWNO-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[N@@H+]1CCCO[C@@H](CN)C1 253185511 344930462 /nfs/dbraw/zinc/93/04/62/344930462.db2.gz PWPINDPCIJPUHG-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@H+]1CCCO[C@@H](CN)C1 253185511 344930463 /nfs/dbraw/zinc/93/04/63/344930463.db2.gz PWPINDPCIJPUHG-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@@H+]1CCCO[C@H](CN)C1 253185510 344930506 /nfs/dbraw/zinc/93/05/06/344930506.db2.gz PWPINDPCIJPUHG-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@H+]1CCCO[C@H](CN)C1 253185510 344930508 /nfs/dbraw/zinc/93/05/08/344930508.db2.gz PWPINDPCIJPUHG-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO C[C@H]1CN(C2CC([NH3+])C2)CC[C@H]1O 253195306 344930744 /nfs/dbraw/zinc/93/07/44/344930744.db2.gz QBITWLWQAJXZIO-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O 253193596 344930881 /nfs/dbraw/zinc/93/08/81/344930881.db2.gz ONLOSJOHQLXWQP-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O 253193596 344930882 /nfs/dbraw/zinc/93/08/82/344930882.db2.gz ONLOSJOHQLXWQP-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCNCC2)CC[C@H]1O 253193596 344930886 /nfs/dbraw/zinc/93/08/86/344930886.db2.gz ONLOSJOHQLXWQP-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](C[NH3+])CN1CC[C@@H](O)[C@H](C)C1 253192365 344931034 /nfs/dbraw/zinc/93/10/34/344931034.db2.gz NJPVYAOETBULCJ-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 253192365 344931035 /nfs/dbraw/zinc/93/10/35/344931035.db2.gz NJPVYAOETBULCJ-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@@H](O)[C@H](C)C1 253192365 344931039 /nfs/dbraw/zinc/93/10/39/344931039.db2.gz NJPVYAOETBULCJ-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CN(C[C@H](C)C[NH3+])CC[C@@H]1O 253192366 344931051 /nfs/dbraw/zinc/93/10/51/344931051.db2.gz NJPVYAOETBULCJ-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1C[N@H+](C[C@H](C)CN)CC[C@@H]1O 253192366 344931053 /nfs/dbraw/zinc/93/10/53/344931053.db2.gz NJPVYAOETBULCJ-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1C[N@@H+](C[C@H](C)CN)CC[C@@H]1O 253192366 344931055 /nfs/dbraw/zinc/93/10/55/344931055.db2.gz NJPVYAOETBULCJ-UTLUCORTSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CN(C2CC[NH2+]CC2)CC[C@H]1O 253193595 344931136 /nfs/dbraw/zinc/93/11/36/344931136.db2.gz ONLOSJOHQLXWQP-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCNCC2)CC[C@H]1O 253193595 344931140 /nfs/dbraw/zinc/93/11/40/344931140.db2.gz ONLOSJOHQLXWQP-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1C[N@H+](C2CCNCC2)CC[C@H]1O 253193595 344931142 /nfs/dbraw/zinc/93/11/42/344931142.db2.gz ONLOSJOHQLXWQP-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](C[NH3+])CN1CC[C@H](O)[C@H](C)C1 253192364 344931168 /nfs/dbraw/zinc/93/11/68/344931168.db2.gz NJPVYAOETBULCJ-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@H](O)[C@H](C)C1 253192364 344931171 /nfs/dbraw/zinc/93/11/71/344931171.db2.gz NJPVYAOETBULCJ-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@H](O)[C@H](C)C1 253192364 344931175 /nfs/dbraw/zinc/93/11/75/344931175.db2.gz NJPVYAOETBULCJ-BBBLOLIVSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CN([C@H](C)C(N)=[NH2+])C[C@H](C)N1C 253277662 344931967 /nfs/dbraw/zinc/93/19/67/344931967.db2.gz JIBNPGVWHKFWTE-XHNCKOQMSA-N 1 3 198.314 0.335 10 0 ACAEHO C[C@H](C[NH3+])N1C[C@@H](C)N(C)[C@H](C)C1 253260829 344932111 /nfs/dbraw/zinc/93/21/11/344932111.db2.gz HYGCDQVWRVVDQC-OPRDCNLKSA-N 1 3 185.315 0.358 10 0 ACAEHO C[C@H](C(N)=[NH2+])N1C[C@@H](C)N(C)[C@H](C)C1 253277661 344932187 /nfs/dbraw/zinc/93/21/87/344932187.db2.gz JIBNPGVWHKFWTE-IWSPIJDZSA-N 1 3 198.314 0.335 10 0 ACAEHO CCNC(=[NH2+])N[C@@H]1CCN(C)C[C@H]1C 253286499 344932476 /nfs/dbraw/zinc/93/24/76/344932476.db2.gz OQOJNMODDZDSSV-RKDXNWHRSA-N 1 3 198.314 0.460 10 0 ACAEHO CCNC(=[NH2+])N[C@H]1CCN(C)C[C@H]1C 253286498 344932532 /nfs/dbraw/zinc/93/25/32/344932532.db2.gz OQOJNMODDZDSSV-BDAKNGLRSA-N 1 3 198.314 0.460 10 0 ACAEHO C[C@@H](N)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 253282943 344932564 /nfs/dbraw/zinc/93/25/64/344932564.db2.gz LPYWDPMQQLZMTE-VGMNWLOBSA-N 1 3 170.256 0.197 10 0 ACAEHO C[C@@H](N)[C@@H]1C[N@H+]2CCC[C@H]2CO1 253282943 344932565 /nfs/dbraw/zinc/93/25/65/344932565.db2.gz LPYWDPMQQLZMTE-VGMNWLOBSA-N 1 3 170.256 0.197 10 0 ACAEHO CC(=[NH2+])N[C@@H]1CCN(C)C[C@H]1C 253313925 344933389 /nfs/dbraw/zinc/93/33/89/344933389.db2.gz XHFCCKUPPWKGKR-VXNVDRBHSA-N 1 3 169.272 0.913 10 0 ACAEHO NC[C@H](F)CCC[NH3+] 256047470 344936759 /nfs/dbraw/zinc/93/67/59/344936759.db2.gz MPDPGHAJEQLBNN-RXMQYKEDSA-N 1 3 120.171 0.022 10 0 ACAEHO NC[C@@H](F)CCC[NH3+] 256047471 344936830 /nfs/dbraw/zinc/93/68/30/344936830.db2.gz MPDPGHAJEQLBNN-YFKPBYRVSA-N 1 3 120.171 0.022 10 0 ACAEHO CO[C@@H](C)C[N@@H+]1CCN[C@H](C)CC1 299893713 344958119 /nfs/dbraw/zinc/95/81/19/344958119.db2.gz OCZNWRKUUVLOQL-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@@H](C)C[N@H+]1CCN[C@H](C)CC1 299893713 344958120 /nfs/dbraw/zinc/95/81/20/344958120.db2.gz OCZNWRKUUVLOQL-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@@H+]1CCN[C@H](C)CC1 299893712 344958214 /nfs/dbraw/zinc/95/82/14/344958214.db2.gz OCZNWRKUUVLOQL-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO CO[C@H](C)C[N@H+]1CCN[C@H](C)CC1 299893712 344958215 /nfs/dbraw/zinc/95/82/15/344958215.db2.gz OCZNWRKUUVLOQL-NXEZZACHSA-N 1 3 186.299 0.705 10 0 ACAEHO C[C@@H]1CCN(C2CC[NH2+]CC2)C[C@H]1O 299907396 344959843 /nfs/dbraw/zinc/95/98/43/344959843.db2.gz IJFVNGLCFPULSX-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@@H+](C2CCNCC2)C[C@H]1O 299907396 344959845 /nfs/dbraw/zinc/95/98/45/344959845.db2.gz IJFVNGLCFPULSX-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[N@H+](C2CCNCC2)C[C@H]1O 299907396 344959847 /nfs/dbraw/zinc/95/98/47/344959847.db2.gz IJFVNGLCFPULSX-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H](CN1CC[C@@H](C)[C@H](O)C1)C(N)=[NH2+] 299907386 344959925 /nfs/dbraw/zinc/95/99/25/344959925.db2.gz IICNQYRBMQSQMP-IWSPIJDZSA-N 1 3 199.298 0.261 10 0 ACAEHO C[C@H]1CCN(CCC(N)=[NH2+])C[C@H]1O 299909258 344959941 /nfs/dbraw/zinc/95/99/41/344959941.db2.gz KNCJLKZBWHIQSR-JGVFFNPUSA-N 1 3 185.271 0.015 10 0 ACAEHO C[C@H]1CCN(C2CC[NH2+]CC2)C[C@H]1O 299907395 344960004 /nfs/dbraw/zinc/96/00/04/344960004.db2.gz IJFVNGLCFPULSX-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CCNCC2)C[C@H]1O 299907395 344960007 /nfs/dbraw/zinc/96/00/07/344960007.db2.gz IJFVNGLCFPULSX-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CC[N@H+](C2CCNCC2)C[C@H]1O 299907395 344960009 /nfs/dbraw/zinc/96/00/09/344960009.db2.gz IJFVNGLCFPULSX-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CCN(C[C@@H](C)C(N)=[NH2+])C[C@H]1O 299907385 344960070 /nfs/dbraw/zinc/96/00/70/344960070.db2.gz IICNQYRBMQSQMP-DJLDLDEBSA-N 1 3 199.298 0.261 10 0 ACAEHO C[C@H]1CCN(C[C@@H](C)C(N)=[NH2+])C[C@@H]1O 299907387 344960164 /nfs/dbraw/zinc/96/01/64/344960164.db2.gz IICNQYRBMQSQMP-YIZRAAEISA-N 1 3 199.298 0.261 10 0 ACAEHO C[C@@H]1CCN(CCC(N)=[NH2+])C[C@H]1O 299909255 344960205 /nfs/dbraw/zinc/96/02/05/344960205.db2.gz KNCJLKZBWHIQSR-HTQZYQBOSA-N 1 3 185.271 0.015 10 0 ACAEHO CO[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H]2N)C1 299919676 344960518 /nfs/dbraw/zinc/96/05/18/344960518.db2.gz WSRUPLQLXZYEFM-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H]2N)C1 299919676 344960519 /nfs/dbraw/zinc/96/05/19/344960519.db2.gz WSRUPLQLXZYEFM-VWYCJHECSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CCNCC2)[C@H]1CO 299918497 344960641 /nfs/dbraw/zinc/96/06/41/344960641.db2.gz ZXFSOKQBGDKBGL-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CC[N@H+](C2CCNCC2)[C@H]1CO 299918497 344960644 /nfs/dbraw/zinc/96/06/44/344960644.db2.gz ZXFSOKQBGDKBGL-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO CO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2N)C1 299919673 344960656 /nfs/dbraw/zinc/96/06/56/344960656.db2.gz WSRUPLQLXZYEFM-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]2N)C1 299919673 344960659 /nfs/dbraw/zinc/96/06/59/344960659.db2.gz WSRUPLQLXZYEFM-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@H]1CCN(C2CC([NH3+])C2)C[C@H]1O 299920811 344960888 /nfs/dbraw/zinc/96/08/88/344960888.db2.gz YRQXWVSQUKMJEN-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 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344960929 /nfs/dbraw/zinc/96/09/29/344960929.db2.gz ZXFSOKQBGDKBGL-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CCN(C2CC([NH3+])C2)C[C@H]1O 299920812 344960948 /nfs/dbraw/zinc/96/09/48/344960948.db2.gz YRQXWVSQUKMJEN-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CC[N@H+](C2CC(N)C2)[C@H]1CO 299918475 344961010 /nfs/dbraw/zinc/96/10/10/344961010.db2.gz ZVHNRNWVYQOORI-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CC[N@@H+](C2CC(N)C2)[C@H]1CO 299918475 344961012 /nfs/dbraw/zinc/96/10/12/344961012.db2.gz ZVHNRNWVYQOORI-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CCN(C2CC([NH3+])C2)[C@H]1CO 299918475 344961013 /nfs/dbraw/zinc/96/10/13/344961013.db2.gz ZVHNRNWVYQOORI-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO CC(C)N(C)C[C@@H]1COCC[C@H]1[NH3+] 299969703 344961202 /nfs/dbraw/zinc/96/12/02/344961202.db2.gz RLIOJABBQPUGTD-NXEZZACHSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@@H]2COCC[C@H]2N)C1 299965077 344961219 /nfs/dbraw/zinc/96/12/19/344961219.db2.gz AHYATXMZTVFQGB-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@@H]2COCC[C@H]2N)C1 299965077 344961222 /nfs/dbraw/zinc/96/12/22/344961222.db2.gz AHYATXMZTVFQGB-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N[C@H]2CCSC2)C1 299967368 344961240 /nfs/dbraw/zinc/96/12/40/344961240.db2.gz JBWWXUZERIXQBU-VGMNWLOBSA-N 1 3 186.324 0.961 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@H]2COCC[C@H]2N)C1 299965078 344961299 /nfs/dbraw/zinc/96/12/99/344961299.db2.gz AHYATXMZTVFQGB-OUAUKWLOSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@H]2COCC[C@H]2N)C1 299965078 344961302 /nfs/dbraw/zinc/96/13/02/344961302.db2.gz AHYATXMZTVFQGB-OUAUKWLOSA-N 1 3 198.310 0.692 10 0 ACAEHO CCN1CC[C@@H](C)[C@H]1C[NH3+] 299987948 344961470 /nfs/dbraw/zinc/96/14/70/344961470.db2.gz PXFZCYVKCYTNHK-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CN(C[C@@H]1COCC[C@H]1[NH3+])C1CC1 299968167 344961516 /nfs/dbraw/zinc/96/15/16/344961516.db2.gz LMUCXFNUHFBCIR-PSASIEDQSA-N 1 3 184.283 0.444 10 0 ACAEHO CCN1CC[C@H](C)[C@H]1C[NH3+] 299987949 344961635 /nfs/dbraw/zinc/96/16/35/344961635.db2.gz PXFZCYVKCYTNHK-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N[C@H]2CCSC2)C1 299967366 344961642 /nfs/dbraw/zinc/96/16/42/344961642.db2.gz JBWWXUZERIXQBU-HLTSFMKQSA-N 1 3 186.324 0.961 10 0 ACAEHO CC(C)N(C)C[C@H]1COCC[C@H]1[NH3+] 299969704 344961663 /nfs/dbraw/zinc/96/16/63/344961663.db2.gz RLIOJABBQPUGTD-VHSXEESVSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCCCC[C@H]1O 300024069 344962634 /nfs/dbraw/zinc/96/26/34/344962634.db2.gz JUQUTPHYLGDCQC-KXUCPTDWSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCCCC[C@H]1O 300024070 344962666 /nfs/dbraw/zinc/96/26/66/344962666.db2.gz JUQUTPHYLGDCQC-OPRDCNLKSA-N 1 3 186.299 0.617 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1C[C@H]1C 300023899 344962672 /nfs/dbraw/zinc/96/26/72/344962672.db2.gz IRWPUMLSOQSVAP-QYNIQEEDSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1C[C@H]1C 300023898 344962812 /nfs/dbraw/zinc/96/28/12/344962812.db2.gz IRWPUMLSOQSVAP-FSDSQADBSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@H](CN)[NH2+][C@H]1CCN(C)C[C@H]1C 300024705 344962840 /nfs/dbraw/zinc/96/28/40/344962840.db2.gz OEZXNSMQQLPFOA-BBBLOLIVSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@H](CN)[NH2+][C@@H]1CCN(C)C[C@H]1C 300024706 344962950 /nfs/dbraw/zinc/96/29/50/344962950.db2.gz OEZXNSMQQLPFOA-OPRDCNLKSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@H](CN1CC[C@](C)(O)C1)C(N)=[NH2+] 300027167 344963823 /nfs/dbraw/zinc/96/38/23/344963823.db2.gz BHHAVUOZZUHGNJ-APPZFPTMSA-N 1 3 185.271 0.015 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)N)C1 300037813 344964155 /nfs/dbraw/zinc/96/41/55/344964155.db2.gz DCJFPHUIMLIDNJ-XHNCKOQMSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)N)C1 300037813 344964157 /nfs/dbraw/zinc/96/41/57/344964157.db2.gz DCJFPHUIMLIDNJ-XHNCKOQMSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)N)C1 300037809 344964288 /nfs/dbraw/zinc/96/42/88/344964288.db2.gz DCJFPHUIMLIDNJ-DJLDLDEBSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H](C)[C@H](C)N)C1 300037809 344964291 /nfs/dbraw/zinc/96/42/91/344964291.db2.gz DCJFPHUIMLIDNJ-DJLDLDEBSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)N)C1 300037811 344964489 /nfs/dbraw/zinc/96/44/89/344964489.db2.gz DCJFPHUIMLIDNJ-IWSPIJDZSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)N)C1 300037811 344964493 /nfs/dbraw/zinc/96/44/93/344964493.db2.gz DCJFPHUIMLIDNJ-IWSPIJDZSA-N 1 3 172.272 0.443 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H]2CCNC[C@H]2C)C1 300042973 344965033 /nfs/dbraw/zinc/96/50/33/344965033.db2.gz TXRCRFDWOBEAES-GMTAPVOTSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H]2CCNC[C@H]2C)C1 300042973 344965036 /nfs/dbraw/zinc/96/50/36/344965036.db2.gz TXRCRFDWOBEAES-GMTAPVOTSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CCN([C@@H]2CC[NH2+]C[C@H]2C)C1 300042973 344965037 /nfs/dbraw/zinc/96/50/37/344965037.db2.gz TXRCRFDWOBEAES-GMTAPVOTSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@@H]2N)C1 300043509 344965213 /nfs/dbraw/zinc/96/52/13/344965213.db2.gz XLDIFWBAGIUHED-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2N)C1 300043509 344965215 /nfs/dbraw/zinc/96/52/15/344965215.db2.gz XLDIFWBAGIUHED-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H]2CCNC[C@@H]2C)C1 300042972 344965344 /nfs/dbraw/zinc/96/53/44/344965344.db2.gz TXRCRFDWOBEAES-AXFHLTTASA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H]2CCNC[C@@H]2C)C1 300042972 344965345 /nfs/dbraw/zinc/96/53/45/344965345.db2.gz TXRCRFDWOBEAES-AXFHLTTASA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CCN([C@H]2CC[NH2+]C[C@@H]2C)C1 300042972 344965349 /nfs/dbraw/zinc/96/53/49/344965349.db2.gz TXRCRFDWOBEAES-AXFHLTTASA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H]2CCNC[C@H]2C)C1 300042975 344965419 /nfs/dbraw/zinc/96/54/19/344965419.db2.gz TXRCRFDWOBEAES-MXWKQRLJSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H]2CCNC[C@H]2C)C1 300042975 344965421 /nfs/dbraw/zinc/96/54/21/344965421.db2.gz TXRCRFDWOBEAES-MXWKQRLJSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CCN([C@H]2CC[NH2+]C[C@H]2C)C1 300042975 344965424 /nfs/dbraw/zinc/96/54/24/344965424.db2.gz TXRCRFDWOBEAES-MXWKQRLJSA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]2N)C1 300043508 344965460 /nfs/dbraw/zinc/96/54/60/344965460.db2.gz XLDIFWBAGIUHED-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2N)C1 300043508 344965462 /nfs/dbraw/zinc/96/54/62/344965462.db2.gz XLDIFWBAGIUHED-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N)C1 300043506 344965564 /nfs/dbraw/zinc/96/55/64/344965564.db2.gz XLDIFWBAGIUHED-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2N)C1 300043506 344965565 /nfs/dbraw/zinc/96/55/65/344965565.db2.gz XLDIFWBAGIUHED-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H]2CCNC[C@@H]2C)C1 300042974 344965603 /nfs/dbraw/zinc/96/56/03/344965603.db2.gz TXRCRFDWOBEAES-HBNTYKKESA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H]2CCNC[C@@H]2C)C1 300042974 344965605 /nfs/dbraw/zinc/96/56/05/344965605.db2.gz TXRCRFDWOBEAES-HBNTYKKESA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CCN([C@@H]2CC[NH2+]C[C@@H]2C)C1 300042974 344965607 /nfs/dbraw/zinc/96/56/07/344965607.db2.gz TXRCRFDWOBEAES-HBNTYKKESA-N 1 3 198.310 0.705 10 0 ACAEHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N)C1 300043507 344965632 /nfs/dbraw/zinc/96/56/32/344965632.db2.gz XLDIFWBAGIUHED-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N)C1 300043507 344965635 /nfs/dbraw/zinc/96/56/35/344965635.db2.gz XLDIFWBAGIUHED-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CN([C@H](C)[C@@H]2CCOC2)C[C@H]1[NH3+] 300048285 344966011 /nfs/dbraw/zinc/96/60/11/344966011.db2.gz ITVRHGLTLNMYGX-GWOFURMSSA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@H]1CN(CC2CCOCC2)C[C@H]1[NH3+] 300048075 344966048 /nfs/dbraw/zinc/96/60/48/344966048.db2.gz HAAYZIKMEANKIR-GXSJLCMTSA-N 1 3 198.310 0.692 10 0 ACAEHO C[C@H]1CN(CC2CC2)C[C@H]1[NH3+] 300047434 344966091 /nfs/dbraw/zinc/96/60/91/344966091.db2.gz DNEUKUDICURRHM-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]1CN(c2ccncc2)C[C@H]1[NH3+] 300047466 344966247 /nfs/dbraw/zinc/96/62/47/344966247.db2.gz DXDXSTGWFOIUCW-WCBMZHEXSA-N 1 3 177.251 0.865 10 0 ACAEHO C[C@@H]1CN([C@H](C)[C@H]2CCOC2)C[C@H]1[NH3+] 300048284 344966276 /nfs/dbraw/zinc/96/62/76/344966276.db2.gz ITVRHGLTLNMYGX-CHWFTXMASA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@@H]1CN(c2ccncc2)C[C@H]1[NH3+] 300047465 344966386 /nfs/dbraw/zinc/96/63/86/344966386.db2.gz DXDXSTGWFOIUCW-PSASIEDQSA-N 1 3 177.251 0.865 10 0 ACAEHO C[C@@H]1CN([C@H]2CCCN(C)C2)C[C@H]1[NH3+] 300049475 344966681 /nfs/dbraw/zinc/96/66/81/344966681.db2.gz SBPXAILYVCNGMM-OUAUKWLOSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1CN(C2CCOCC2)C[C@H]1[NH3+] 300049161 344966830 /nfs/dbraw/zinc/96/68/30/344966830.db2.gz PYKAXOTUCDDCKU-WCBMZHEXSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN([C@H]2CCCN(C)C2)C[C@@H]1[NH3+] 300049476 344966840 /nfs/dbraw/zinc/96/68/40/344966840.db2.gz SBPXAILYVCNGMM-VWYCJHECSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1CN(C2CCOCC2)C[C@H]1[NH3+] 300049160 344967087 /nfs/dbraw/zinc/96/70/87/344967087.db2.gz PYKAXOTUCDDCKU-PSASIEDQSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCCN(C)C2)C[C@H]1[NH3+] 300049474 344967112 /nfs/dbraw/zinc/96/71/12/344967112.db2.gz SBPXAILYVCNGMM-GMTAPVOTSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@H+]1C[C@@H](N)[C@H](C)C1 300049773 344967545 /nfs/dbraw/zinc/96/75/45/344967545.db2.gz UXPYEHHJAJMDJT-UTINFBMNSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@@H+]1C[C@@H](N)[C@H](C)C1 300049773 344967550 /nfs/dbraw/zinc/96/75/50/344967550.db2.gz UXPYEHHJAJMDJT-UTINFBMNSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@@H+]1C[C@@H](C)[C@@H](N)C1 300049774 344967577 /nfs/dbraw/zinc/96/75/77/344967577.db2.gz UXPYEHHJAJMDJT-XFWSIPNHSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1OCC[C@H]1[N@H+]1C[C@@H](C)[C@@H](N)C1 300049774 344967579 /nfs/dbraw/zinc/96/75/79/344967579.db2.gz UXPYEHHJAJMDJT-XFWSIPNHSA-N 1 3 184.283 0.443 10 0 ACAEHO CSCC[N@H+]1C[C@@H](N)[C@H](C)C1 300050162 344967615 /nfs/dbraw/zinc/96/76/15/344967615.db2.gz XTQXXIICIJCCOI-HTQZYQBOSA-N 1 3 174.313 0.628 10 0 ACAEHO CSCC[N@@H+]1C[C@@H](N)[C@H](C)C1 300050162 344967616 /nfs/dbraw/zinc/96/76/16/344967616.db2.gz XTQXXIICIJCCOI-HTQZYQBOSA-N 1 3 174.313 0.628 10 0 ACAEHO CCCN1C[C@H](C)[C@H]([NH3+])C1 300050406 344967746 /nfs/dbraw/zinc/96/77/46/344967746.db2.gz ZOTCWEZIVWSZKT-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CSCC[N@@H+]1C[C@H](C)[C@H](N)C1 300050163 344967980 /nfs/dbraw/zinc/96/79/80/344967980.db2.gz XTQXXIICIJCCOI-JGVFFNPUSA-N 1 3 174.313 0.628 10 0 ACAEHO CSCC[N@H+]1C[C@H](C)[C@H](N)C1 300050163 344967984 /nfs/dbraw/zinc/96/79/84/344967984.db2.gz XTQXXIICIJCCOI-JGVFFNPUSA-N 1 3 174.313 0.628 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCO[C@@H]2C)C[C@H]1N 300049775 344968206 /nfs/dbraw/zinc/96/82/06/344968206.db2.gz UXPYEHHJAJMDJT-ZYUZMQFOSA-N 1 3 184.283 0.443 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCO[C@@H]2C)C[C@H]1N 300049775 344968209 /nfs/dbraw/zinc/96/82/09/344968209.db2.gz UXPYEHHJAJMDJT-ZYUZMQFOSA-N 1 3 184.283 0.443 10 0 ACAEHO CO[C@@H]1CCN([C@H]2CC[C@@H]([NH3+])C2)C1 300053451 344968548 /nfs/dbraw/zinc/96/85/48/344968548.db2.gz PXGPFAUFGWANKY-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CCN([C@@H]2CC[C@H]([NH3+])C2)C1 300053449 344968568 /nfs/dbraw/zinc/96/85/68/344968568.db2.gz PXGPFAUFGWANKY-IVZWLZJFSA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@@H]1CCN([C@@H]2CC[C@@H]([NH3+])C2)C1 300053455 344968610 /nfs/dbraw/zinc/96/86/10/344968610.db2.gz PXGPFAUFGWANKY-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO O[C@@H]([C@@H]1CCC[NH2+]1)[C@H]1CCCCN1 300054523 344968645 /nfs/dbraw/zinc/96/86/45/344968645.db2.gz BTOHPHQYPYKFQI-KXUCPTDWSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@H]([C@H]1CCCCN1)[C@H]1CCC[NH2+]1 300054524 344968671 /nfs/dbraw/zinc/96/86/71/344968671.db2.gz BTOHPHQYPYKFQI-OPRDCNLKSA-N 1 3 184.283 0.241 10 0 ACAEHO CO[C@@H]1CCN([C@H]2CC[C@H]([NH3+])C2)C1 300053453 344968824 /nfs/dbraw/zinc/96/88/24/344968824.db2.gz PXGPFAUFGWANKY-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO O[C@@H]([C@@H]1CCC[NH2+]1)[C@H]1CCCCCN1 300061190 344969347 /nfs/dbraw/zinc/96/93/47/344969347.db2.gz ICFKMRSKNGRQPF-OUAUKWLOSA-N 1 3 198.310 0.632 10 0 ACAEHO F[C@@H]([C@@H]1CCC[NH2+]1)[C@H]1CCCN1 300060058 344969361 /nfs/dbraw/zinc/96/93/61/344969361.db2.gz CUEXFQXQBODHNO-AYMMMOKOSA-N 1 3 172.247 0.829 10 0 ACAEHO F[C@@H]([C@@H]1CCCN1)[C@H]1CCC[NH2+]1 300060058 344969363 /nfs/dbraw/zinc/96/93/63/344969363.db2.gz CUEXFQXQBODHNO-AYMMMOKOSA-N 1 3 172.247 0.829 10 0 ACAEHO CCN1CCN(C2(C[NH3+])CC2)C[C@H]1C 300063553 344970044 /nfs/dbraw/zinc/97/00/44/344970044.db2.gz WJQMIOYNXUXHAD-SNVBAGLBSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 300205466 344970644 /nfs/dbraw/zinc/97/06/44/344970644.db2.gz SSLKGBHWCHZWPF-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO COC1CC([N@@H+]2C[C@@H](CN)C[C@H]2C)C1 300213129 344971061 /nfs/dbraw/zinc/97/10/61/344971061.db2.gz MITZCKBGWUAMPL-NKVNRFPTSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC([N@H+]2C[C@@H](CN)C[C@H]2C)C1 300213129 344971064 /nfs/dbraw/zinc/97/10/64/344971064.db2.gz MITZCKBGWUAMPL-NKVNRFPTSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC([N@@H+]2C[C@H](CN)C[C@H]2C)C1 300213128 344971273 /nfs/dbraw/zinc/97/12/73/344971273.db2.gz MITZCKBGWUAMPL-MFQSTILNSA-N 1 3 198.310 0.833 10 0 ACAEHO COC1CC([N@H+]2C[C@H](CN)C[C@H]2C)C1 300213128 344971275 /nfs/dbraw/zinc/97/12/75/344971275.db2.gz MITZCKBGWUAMPL-MFQSTILNSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 300219968 344971632 /nfs/dbraw/zinc/97/16/32/344971632.db2.gz CRKVOTPTAUSLBV-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 300219968 344971634 /nfs/dbraw/zinc/97/16/34/344971634.db2.gz CRKVOTPTAUSLBV-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 300219968 344971637 /nfs/dbraw/zinc/97/16/37/344971637.db2.gz CRKVOTPTAUSLBV-OPRDCNLKSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CCN(C[C@@H](C)O)C[C@H]1C[NH3+] 300219967 344972053 /nfs/dbraw/zinc/97/20/53/344972053.db2.gz CRKVOTPTAUSLBV-IVZWLZJFSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@@H](C)O)C[C@H]1CN 300219967 344972055 /nfs/dbraw/zinc/97/20/55/344972055.db2.gz CRKVOTPTAUSLBV-IVZWLZJFSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@@H](C)O)C[C@H]1CN 300219967 344972059 /nfs/dbraw/zinc/97/20/59/344972059.db2.gz CRKVOTPTAUSLBV-IVZWLZJFSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCOC2)C[C@H]1N 300241646 344973075 /nfs/dbraw/zinc/97/30/75/344973075.db2.gz MXOUWUFKVRDNJG-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2CCCOC2)C[C@H]1N 300241646 344973076 /nfs/dbraw/zinc/97/30/76/344973076.db2.gz MXOUWUFKVRDNJG-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@]1(CN)CC[N@@H+](C[C@H]2CCCO2)C1 300353160 344975489 /nfs/dbraw/zinc/97/54/89/344975489.db2.gz URZICWANNFCJKA-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N1CCN(C)C[C@H]1C 300355826 344975227 /nfs/dbraw/zinc/97/52/27/344975227.db2.gz SNJFIKRXZCAPRQ-GMTAPVOTSA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@]1(C[NH3+])CCN(C[C@H]2CCCO2)C1 300353160 344975482 /nfs/dbraw/zinc/97/54/82/344975482.db2.gz URZICWANNFCJKA-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@H+](C[C@H]2CCCO2)C1 300353160 344975486 /nfs/dbraw/zinc/97/54/86/344975486.db2.gz URZICWANNFCJKA-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[NH3+])CCN(C[C@H]2CCCO2)C1 300353161 344975550 /nfs/dbraw/zinc/97/55/50/344975550.db2.gz URZICWANNFCJKA-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@H+](C[C@H]2CCCO2)C1 300353161 344975554 /nfs/dbraw/zinc/97/55/54/344975554.db2.gz URZICWANNFCJKA-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CCCO2)C1 300353161 344975556 /nfs/dbraw/zinc/97/55/56/344975556.db2.gz URZICWANNFCJKA-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N1CCN(C)C[C@H]1C 300355827 344975586 /nfs/dbraw/zinc/97/55/86/344975586.db2.gz SNJFIKRXZCAPRQ-MXWKQRLJSA-N 1 3 199.342 0.606 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1CCCN(C)C[C@H]1C 300356417 344975842 /nfs/dbraw/zinc/97/58/42/344975842.db2.gz LDOXLOWPQPMGMH-BDAKNGLRSA-N 1 3 198.314 0.337 10 0 ACAEHO CC[C@H]([NH3+])CN1CCCN(C)C[C@H]1C 300354532 344975866 /nfs/dbraw/zinc/97/58/66/344975866.db2.gz BQHMNBCPSQVNCF-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO CNC(=[NH2+])N1CCCN(C)C[C@H]1C 300355259 344975964 /nfs/dbraw/zinc/97/59/64/344975964.db2.gz NBTZCLDYKIZKRW-MRVPVSSYSA-N 1 3 184.287 0.167 10 0 ACAEHO CC[C@@H]1CN(C)CCCN1C(N)=[NH2+] 300356212 344975987 /nfs/dbraw/zinc/97/59/87/344975987.db2.gz ZQRXCTJJFBULIR-MRVPVSSYSA-N 1 3 184.287 0.296 10 0 ACAEHO C[C@@H]1CN(C)CCCN1[C@H](C)C(N)=[NH2+] 300356418 344976167 /nfs/dbraw/zinc/97/61/67/344976167.db2.gz LDOXLOWPQPMGMH-RKDXNWHRSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@@H]([NH3+])CN1CCCN(C)C[C@H]1C 300357075 344976229 /nfs/dbraw/zinc/97/62/29/344976229.db2.gz UUERFXAMHSYUBT-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@H]([NH3+])CN1CCCN(C)C[C@H]1C 300357076 344976315 /nfs/dbraw/zinc/97/63/15/344976315.db2.gz UUERFXAMHSYUBT-VHSXEESVSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[N@@H+]1CCC[C@@H](N)C1 300362478 344977175 /nfs/dbraw/zinc/97/71/75/344977175.db2.gz CKMOFURQERSOEG-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[N@H+]1CCC[C@@H](N)C1 300362478 344977178 /nfs/dbraw/zinc/97/71/78/344977178.db2.gz CKMOFURQERSOEG-AXFHLTTASA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[N@@H+]1CCC[C@H](N)C1 300362481 344977196 /nfs/dbraw/zinc/97/71/96/344977196.db2.gz CKMOFURQERSOEG-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[N@H+]1CCC[C@H](N)C1 300362481 344977199 /nfs/dbraw/zinc/97/71/99/344977199.db2.gz CKMOFURQERSOEG-DCAQKATOSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@H]1CC[C@H]([NH2+]C2CCNCC2)C1 300361921 344977255 /nfs/dbraw/zinc/97/72/55/344977255.db2.gz BJOHDBMPXNSNTK-QWRGUYRKSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[N@@H+]1CCC[C@H](N)C1 300362484 344977476 /nfs/dbraw/zinc/97/74/76/344977476.db2.gz CKMOFURQERSOEG-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[N@H+]1CCC[C@H](N)C1 300362484 344977479 /nfs/dbraw/zinc/97/74/79/344977479.db2.gz CKMOFURQERSOEG-GARJFASQSA-N 1 3 198.310 0.977 10 0 ACAEHO CN1CCC[C@H]1CN[C@H]1CC[NH2+]C1 300369352 344977781 /nfs/dbraw/zinc/97/77/81/344977781.db2.gz XPYQBYMPNSXHDJ-UWVGGRQHSA-N 1 3 183.299 0.032 10 0 ACAEHO COC1CC(N2CC[C@H]([NH3+])[C@H](C)C2)C1 300366648 344977964 /nfs/dbraw/zinc/97/79/64/344977964.db2.gz LMXQRRRTOSEZPZ-SFXRXQKFSA-N 1 3 198.310 0.833 10 0 ACAEHO CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C1 300369353 344978013 /nfs/dbraw/zinc/97/80/13/344978013.db2.gz XPYQBYMPNSXHDJ-VHSXEESVSA-N 1 3 183.299 0.032 10 0 ACAEHO COC1CC(N2CC[C@@H]([NH3+])[C@H](C)C2)C1 300366647 344978019 /nfs/dbraw/zinc/97/80/19/344978019.db2.gz LMXQRRRTOSEZPZ-AGVGLQIMSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)NCC1([NH3+])CC1 300377827 344979447 /nfs/dbraw/zinc/97/94/47/344979447.db2.gz RHIRLHYAAHHEME-IUCAKERBSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@@H]1OCC[C@H]1CN[C@H]1CCC[NH2+]C1 300382196 344980062 /nfs/dbraw/zinc/98/00/62/344980062.db2.gz ODWVMQFIJFOORY-DCAQKATOSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1OCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 300382197 344980144 /nfs/dbraw/zinc/98/01/44/344980144.db2.gz ODWVMQFIJFOORY-HBNTYKKESA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1OCC[C@@H]1CN[C@H]1CCC[NH2+]C1 300382195 344980208 /nfs/dbraw/zinc/98/02/08/344980208.db2.gz ODWVMQFIJFOORY-AXFHLTTASA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CN)C2)C1 300387888 344980710 /nfs/dbraw/zinc/98/07/10/344980710.db2.gz NIOKNSWZWGJMNN-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](CN)C2)C1 300387887 344980655 /nfs/dbraw/zinc/98/06/55/344980655.db2.gz NIOKNSWZWGJMNN-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CC[C@@H]([N@H+]2CC[C@H](CN)C2)C1 300387887 344980658 /nfs/dbraw/zinc/98/06/58/344980658.db2.gz NIOKNSWZWGJMNN-GMTAPVOTSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CC[C@H]([N@H+]2CC[C@H](CN)C2)C1 300387888 344980715 /nfs/dbraw/zinc/98/07/15/344980715.db2.gz NIOKNSWZWGJMNN-OUAUKWLOSA-N 1 3 198.310 0.835 10 0 ACAEHO NCc1cn(-c2ccncc2)cn1 300728186 344984377 /nfs/dbraw/zinc/98/43/77/344984377.db2.gz GXZNEXPTGJVJGK-UHFFFAOYSA-N 1 3 174.207 0.726 10 0 ACAEHO [NH3+]Cc1cn(-c2ccncc2)cn1 300728186 344984381 /nfs/dbraw/zinc/98/43/81/344984381.db2.gz GXZNEXPTGJVJGK-UHFFFAOYSA-N 1 3 174.207 0.726 10 0 ACAEHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](N)C1 300758251 344990494 /nfs/dbraw/zinc/99/04/94/344990494.db2.gz GIGUIAVIOGYEJI-UWVGGRQHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@@H](O)C[N@H+]1CCC[C@H](N)C1 300758251 344990497 /nfs/dbraw/zinc/99/04/97/344990497.db2.gz GIGUIAVIOGYEJI-UWVGGRQHSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[C@H](O)C[N@@H+]1CCC[C@H](N)C1 300758253 344990664 /nfs/dbraw/zinc/99/06/64/344990664.db2.gz GIGUIAVIOGYEJI-VHSXEESVSA-N 1 3 186.299 0.426 10 0 ACAEHO C[N@@H+]1CC[C@H](n2cnc(CN)c2)C1 300771071 344994906 /nfs/dbraw/zinc/99/49/06/344994906.db2.gz ZUIVVNMTUOBOAC-VIFPVBQESA-N 1 3 180.255 0.218 10 0 ACAEHO C[N@H+]1CC[C@H](n2cnc(CN)c2)C1 300771071 344994907 /nfs/dbraw/zinc/99/49/07/344994907.db2.gz ZUIVVNMTUOBOAC-VIFPVBQESA-N 1 3 180.255 0.218 10 0 ACAEHO C[N@@H+]1CC[C@@H](n2cnc(CN)c2)C1 300771069 344995256 /nfs/dbraw/zinc/99/52/56/344995256.db2.gz ZUIVVNMTUOBOAC-SECBINFHSA-N 1 3 180.255 0.218 10 0 ACAEHO C[N@H+]1CC[C@@H](n2cnc(CN)c2)C1 300771069 344995258 /nfs/dbraw/zinc/99/52/58/344995258.db2.gz ZUIVVNMTUOBOAC-SECBINFHSA-N 1 3 180.255 0.218 10 0 ACAEHO Cc1cc(NCC2(O)CNC2)cc[nH+]1 300806383 345000627 /nfs/dbraw/zinc/00/06/27/345000627.db2.gz WLWCLJFCIRMTQE-UHFFFAOYSA-N 1 3 193.250 0.136 10 0 ACAEHO CC1(C)C[NH2+]CC[C@H]1N1CC[C@H](O)C1 300857648 345006346 /nfs/dbraw/zinc/00/63/46/345006346.db2.gz OSGSCMQXQIYJCV-VHSXEESVSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)C[NH2+]CC[C@@H]1N1CC[C@@H](O)C1 300857653 345006278 /nfs/dbraw/zinc/00/62/78/345006278.db2.gz OSGSCMQXQIYJCV-ZJUUUORDSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 300857653 345006281 /nfs/dbraw/zinc/00/62/81/345006281.db2.gz OSGSCMQXQIYJCV-ZJUUUORDSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@@H]1[N@H+]1CC[C@@H](O)C1 300857653 345006283 /nfs/dbraw/zinc/00/62/83/345006283.db2.gz OSGSCMQXQIYJCV-ZJUUUORDSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@H]1[N@@H+]1CC[C@H](O)C1 300857648 345006348 /nfs/dbraw/zinc/00/63/48/345006348.db2.gz OSGSCMQXQIYJCV-VHSXEESVSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@H]1[N@H+]1CC[C@H](O)C1 300857648 345006350 /nfs/dbraw/zinc/00/63/50/345006350.db2.gz OSGSCMQXQIYJCV-VHSXEESVSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)C[NH2+]CC[C@H]1N1CC[C@@H](O)C1 300857638 345006383 /nfs/dbraw/zinc/00/63/83/345006383.db2.gz OSGSCMQXQIYJCV-NXEZZACHSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@H]1[N@@H+]1CC[C@@H](O)C1 300857638 345006386 /nfs/dbraw/zinc/00/63/86/345006386.db2.gz OSGSCMQXQIYJCV-NXEZZACHSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@H]1[N@H+]1CC[C@@H](O)C1 300857638 345006388 /nfs/dbraw/zinc/00/63/88/345006388.db2.gz OSGSCMQXQIYJCV-NXEZZACHSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)C[NH2+]CC[C@@H]1N1CC[C@H](O)C1 300857643 345006436 /nfs/dbraw/zinc/00/64/36/345006436.db2.gz OSGSCMQXQIYJCV-UWVGGRQHSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@@H]1[N@@H+]1CC[C@H](O)C1 300857643 345006439 /nfs/dbraw/zinc/00/64/39/345006439.db2.gz OSGSCMQXQIYJCV-UWVGGRQHSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)CNCC[C@@H]1[N@H+]1CC[C@H](O)C1 300857643 345006443 /nfs/dbraw/zinc/00/64/43/345006443.db2.gz OSGSCMQXQIYJCV-UWVGGRQHSA-N 1 3 198.310 0.441 10 0 ACAEHO CC1(C)C[NH2+]CC[C@H]1NC1CC(O)C1 300868947 345007536 /nfs/dbraw/zinc/00/75/36/345007536.db2.gz QHVPTGHJABUXMD-UDNWOFFPSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)CNCC[C@H]1[NH2+]C1CC(O)C1 300868947 345007538 /nfs/dbraw/zinc/00/75/38/345007538.db2.gz QHVPTGHJABUXMD-UDNWOFFPSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)C[NH2+]CC[C@@H]1NC1CC(O)C1 300868946 345007709 /nfs/dbraw/zinc/00/77/09/345007709.db2.gz QHVPTGHJABUXMD-RTBKNWGFSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)CNCC[C@@H]1[NH2+]C1CC(O)C1 300868946 345007710 /nfs/dbraw/zinc/00/77/10/345007710.db2.gz QHVPTGHJABUXMD-RTBKNWGFSA-N 1 3 198.310 0.487 10 0 ACAEHO C[C@H](CO)N[C@@H]1CC[NH2+]CC1(C)C 300890731 345009623 /nfs/dbraw/zinc/00/96/23/345009623.db2.gz UPPIPYQZLJTMBG-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CO)[NH2+][C@@H]1CCNCC1(C)C 300890731 345009624 /nfs/dbraw/zinc/00/96/24/345009624.db2.gz UPPIPYQZLJTMBG-RKDXNWHRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CO)N[C@H]1CC[NH2+]CC1(C)C 300890719 345009751 /nfs/dbraw/zinc/00/97/51/345009751.db2.gz UPPIPYQZLJTMBG-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H](CO)[NH2+][C@H]1CCNCC1(C)C 300890719 345009753 /nfs/dbraw/zinc/00/97/53/345009753.db2.gz UPPIPYQZLJTMBG-BDAKNGLRSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CO)N[C@H]1CC[NH2+]CC1(C)C 300890727 345009767 /nfs/dbraw/zinc/00/97/67/345009767.db2.gz UPPIPYQZLJTMBG-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CO)[NH2+][C@H]1CCNCC1(C)C 300890727 345009769 /nfs/dbraw/zinc/00/97/69/345009769.db2.gz UPPIPYQZLJTMBG-IUCAKERBSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CO)N[C@@H]1CC[NH2+]CC1(C)C 300890723 345009830 /nfs/dbraw/zinc/00/98/30/345009830.db2.gz UPPIPYQZLJTMBG-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H](CO)[NH2+][C@@H]1CCNCC1(C)C 300890723 345009831 /nfs/dbraw/zinc/00/98/31/345009831.db2.gz UPPIPYQZLJTMBG-DTWKUNHWSA-N 1 3 186.299 0.345 10 0 ACAEHO CO[C@@H]1CCN(C2CC([NH3+])C2)[C@@H](C)C1 300943658 345016684 /nfs/dbraw/zinc/01/66/84/345016684.db2.gz SOAZWXCYYPPWIY-IDWGSYCQSA-N 1 3 198.310 0.975 10 0 ACAEHO CO[C@H]1CCN(C2CC([NH3+])C2)[C@H](C)C1 300943662 345016738 /nfs/dbraw/zinc/01/67/38/345016738.db2.gz SOAZWXCYYPPWIY-SFXRXQKFSA-N 1 3 198.310 0.975 10 0 ACAEHO CO[C@@H]1CCN(C2CC([NH3+])C2)[C@H](C)C1 300943656 345016809 /nfs/dbraw/zinc/01/68/09/345016809.db2.gz SOAZWXCYYPPWIY-AGVGLQIMSA-N 1 3 198.310 0.975 10 0 ACAEHO CO[C@H]1CCN(C2CC([NH3+])C2)[C@@H](C)C1 300943660 345016844 /nfs/dbraw/zinc/01/68/44/345016844.db2.gz SOAZWXCYYPPWIY-PMUOWJKOSA-N 1 3 198.310 0.975 10 0 ACAEHO N[C@]1(C[NH3+])CCCC12CCOCC2 300987439 345022095 /nfs/dbraw/zinc/02/20/95/345022095.db2.gz VIGXNHZJOPYGAG-JTQLQIEISA-N 1 3 184.283 0.623 10 0 ACAEHO N[C@@]1(C[NH3+])CCCC12CCOCC2 300987442 345022277 /nfs/dbraw/zinc/02/22/77/345022277.db2.gz VIGXNHZJOPYGAG-SNVBAGLBSA-N 1 3 184.283 0.623 10 0 ACAEHO C[C@@H]1COCC[C@H]1N1C[C@@H](C)[C@@H]([NH3+])C1 301007266 345024487 /nfs/dbraw/zinc/02/44/87/345024487.db2.gz LMAZAXGZRBODRO-CHWFTXMASA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCOC[C@@H]2C)C[C@@H]1[NH3+] 301007276 345025076 /nfs/dbraw/zinc/02/50/76/345025076.db2.gz LMAZAXGZRBODRO-VPOLOUISSA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@@H]1COCC[C@H]1N1C[C@@H]([NH3+])[C@H](C)C1 301007270 345025134 /nfs/dbraw/zinc/02/51/34/345025134.db2.gz LMAZAXGZRBODRO-GWOFURMSSA-N 1 3 198.310 0.690 10 0 ACAEHO C[C@@H]1COCC[C@@H]1N1CC[C@H]([NH3+])C1 301012267 345025717 /nfs/dbraw/zinc/02/57/17/345025717.db2.gz MCSSJASLCFVUKI-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1COCC[C@H]1N1CC[C@@H]([NH3+])C1 301012264 345025807 /nfs/dbraw/zinc/02/58/07/345025807.db2.gz MCSSJASLCFVUKI-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1COCC[C@H]1N1CC[C@H]([NH3+])C1 301012261 345025825 /nfs/dbraw/zinc/02/58/25/345025825.db2.gz MCSSJASLCFVUKI-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1COCC[C@@H]1N1CC[C@@H]([NH3+])C1 301012258 345025891 /nfs/dbraw/zinc/02/58/91/345025891.db2.gz MCSSJASLCFVUKI-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1COCC[C@H]1[NH2+]C1CC(N)C1 301043631 345032631 /nfs/dbraw/zinc/03/26/31/345032631.db2.gz XJILXMMCOOJJQX-AUXWQGHOSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]1COCC[C@H]1NC1CC([NH3+])C1 301043631 345032635 /nfs/dbraw/zinc/03/26/35/345032635.db2.gz XJILXMMCOOJJQX-AUXWQGHOSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COCC[C@@H]1[NH2+]C1CC(N)C1 301043634 345032732 /nfs/dbraw/zinc/03/27/32/345032732.db2.gz XJILXMMCOOJJQX-WOOKNIGNSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COCC[C@@H]1NC1CC([NH3+])C1 301043634 345032734 /nfs/dbraw/zinc/03/27/34/345032734.db2.gz XJILXMMCOOJJQX-WOOKNIGNSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]1COCC[C@@H]1[NH2+]C1CC(N)C1 301043632 345032799 /nfs/dbraw/zinc/03/27/99/345032799.db2.gz XJILXMMCOOJJQX-NFTFJBJSSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]1COCC[C@@H]1NC1CC([NH3+])C1 301043632 345032800 /nfs/dbraw/zinc/03/28/00/345032800.db2.gz XJILXMMCOOJJQX-NFTFJBJSSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COCC[C@H]1[NH2+]C1CC(N)C1 301043633 345032820 /nfs/dbraw/zinc/03/28/20/345032820.db2.gz XJILXMMCOOJJQX-SEZDTBSWSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COCC[C@H]1NC1CC([NH3+])C1 301043633 345032822 /nfs/dbraw/zinc/03/28/22/345032822.db2.gz XJILXMMCOOJJQX-SEZDTBSWSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H](CO)N1CCC[C@H](C[NH3+])C1 306147806 345036043 /nfs/dbraw/zinc/03/60/43/345036043.db2.gz AFVFSXSWNWQNAD-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CO)N1CCC[C@H](C[NH3+])C1 306147807 345036140 /nfs/dbraw/zinc/03/61/40/345036140.db2.gz AFVFSXSWNWQNAD-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CCOCC1 306155885 345046920 /nfs/dbraw/zinc/04/69/20/345046920.db2.gz CFCYCHLEQFBHMW-KOLCDFICSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CCOCC1 306155888 345046929 /nfs/dbraw/zinc/04/69/29/345046929.db2.gz CFCYCHLEQFBHMW-MWLCHTKSSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H](CO)N1CC[C@@]2(CC[NH2+]C2)C1 306156036 345046980 /nfs/dbraw/zinc/04/69/80/345046980.db2.gz IPNXXPFDTOUSMR-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H](CO)N1CC[C@]2(CC[NH2+]C2)C1 306156038 345047074 /nfs/dbraw/zinc/04/70/74/345047074.db2.gz IPNXXPFDTOUSMR-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CCOCC1 306155882 345047228 /nfs/dbraw/zinc/04/72/28/345047228.db2.gz CFCYCHLEQFBHMW-GXSJLCMTSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H](CO)N1CC[C@]2(CC[NH2+]C2)C1 306156034 345047349 /nfs/dbraw/zinc/04/73/49/345047349.db2.gz IPNXXPFDTOUSMR-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H](CO)N1CC[C@@]2(CC[NH2+]C2)C1 306156032 345047357 /nfs/dbraw/zinc/04/73/57/345047357.db2.gz IPNXXPFDTOUSMR-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CCOCC1 306155890 345047389 /nfs/dbraw/zinc/04/73/89/345047389.db2.gz CFCYCHLEQFBHMW-ONGXEEELSA-N 1 3 198.310 0.753 10 0 ACAEHO CNC(=[NH2+])N1CC[C@@H](N(C)C)[C@H]1C 306157301 345047627 /nfs/dbraw/zinc/04/76/27/345047627.db2.gz IIFBSJOIKVDXMS-HTQZYQBOSA-N 1 3 184.287 0.165 10 0 ACAEHO CNC(=[NH2+])N1CC[C@H](N(C)C)[C@@H]1C 306157312 345047836 /nfs/dbraw/zinc/04/78/36/345047836.db2.gz IIFBSJOIKVDXMS-YUMQZZPRSA-N 1 3 184.287 0.165 10 0 ACAEHO CNC(=[NH2+])N1CC[C@H](N(C)C)[C@H]1C 306157309 345047855 /nfs/dbraw/zinc/04/78/55/345047855.db2.gz IIFBSJOIKVDXMS-SFYZADRCSA-N 1 3 184.287 0.165 10 0 ACAEHO CNC(=[NH2+])N1CC[C@@H](N(C)C)[C@@H]1C 306157306 345047990 /nfs/dbraw/zinc/04/79/90/345047990.db2.gz IIFBSJOIKVDXMS-JGVFFNPUSA-N 1 3 184.287 0.165 10 0 ACAEHO CC1CC(N2CCCO[C@@H](C[NH3+])C2)C1 306158207 345048118 /nfs/dbraw/zinc/04/81/18/345048118.db2.gz DQIVERXWTYGDPI-ILDUYXDCSA-N 1 3 198.310 0.835 10 0 ACAEHO CC1CC(N2CCCO[C@H](C[NH3+])C2)C1 306158208 345048177 /nfs/dbraw/zinc/04/81/77/345048177.db2.gz DQIVERXWTYGDPI-VQXHTEKXSA-N 1 3 198.310 0.835 10 0 ACAEHO COC1CC([NH2+][C@@H]2CCNC[C@H]2C)C1 306159841 345049844 /nfs/dbraw/zinc/04/98/44/345049844.db2.gz FEZDEWLBFCUYEI-AGVGLQIMSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC(N[C@@H]2CC[NH2+]C[C@H]2C)C1 306159841 345049847 /nfs/dbraw/zinc/04/98/47/345049847.db2.gz FEZDEWLBFCUYEI-AGVGLQIMSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC([NH2+][C@H]2CCNC[C@@H]2C)C1 306159846 345050246 /nfs/dbraw/zinc/05/02/46/345050246.db2.gz FEZDEWLBFCUYEI-PMUOWJKOSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC(N[C@H]2CC[NH2+]C[C@@H]2C)C1 306159846 345050250 /nfs/dbraw/zinc/05/02/50/345050250.db2.gz FEZDEWLBFCUYEI-PMUOWJKOSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC([NH2+][C@H]2CCNC[C@H]2C)C1 306159848 345050329 /nfs/dbraw/zinc/05/03/29/345050329.db2.gz FEZDEWLBFCUYEI-SFXRXQKFSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC(N[C@H]2CC[NH2+]C[C@H]2C)C1 306159848 345050331 /nfs/dbraw/zinc/05/03/31/345050331.db2.gz FEZDEWLBFCUYEI-SFXRXQKFSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC([NH2+][C@@H]2CCNC[C@@H]2C)C1 306159843 345050495 /nfs/dbraw/zinc/05/04/95/345050495.db2.gz FEZDEWLBFCUYEI-IDWGSYCQSA-N 1 3 198.310 0.751 10 0 ACAEHO COC1CC(N[C@@H]2CC[NH2+]C[C@@H]2C)C1 306159843 345050499 /nfs/dbraw/zinc/05/04/99/345050499.db2.gz FEZDEWLBFCUYEI-IDWGSYCQSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1C[C@@](O)(C2C[NH2+]C2)CCN1C 306161604 345052351 /nfs/dbraw/zinc/05/23/51/345052351.db2.gz NGGWMHZXPHNPCL-PSASIEDQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[C@](O)(C2C[NH2+]C2)CCN1C 306161608 345052393 /nfs/dbraw/zinc/05/23/93/345052393.db2.gz NGGWMHZXPHNPCL-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1C[C@@](O)(C2C[NH2+]C2)CCN1C 306161610 345052450 /nfs/dbraw/zinc/05/24/50/345052450.db2.gz NGGWMHZXPHNPCL-WCBMZHEXSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)CN(C2=[NH+]CCN2)CC[C@H]1N 306163086 345054218 /nfs/dbraw/zinc/05/42/18/345054218.db2.gz QVNJVFACHSKBBR-MRVPVSSYSA-N 1 3 196.298 0.005 10 0 ACAEHO CC1(C)CN(C2=[NH+]CCN2)CC[C@@H]1N 306163090 345054423 /nfs/dbraw/zinc/05/44/23/345054423.db2.gz QVNJVFACHSKBBR-QMMMGPOBSA-N 1 3 196.298 0.005 10 0 ACAEHO CC1CCC([NH3+])(C2=NCCN2)CC1 306165358 345056601 /nfs/dbraw/zinc/05/66/01/345056601.db2.gz BMEMOZKIBKQTLN-UHFFFAOYSA-N 1 3 181.283 0.896 10 0 ACAEHO NCc1cccc(C2=[NH+]CCN2)c1 306169649 345060910 /nfs/dbraw/zinc/06/09/10/345060910.db2.gz PYGHYMUIGVDVMF-UHFFFAOYSA-N 1 3 175.235 0.495 10 0 ACAEHO CC[C@@](N)(C[NH3+])[C@@H]1CCOC1 306176150 345066494 /nfs/dbraw/zinc/06/64/94/345066494.db2.gz NKQTUCOVNCERHM-HTQZYQBOSA-N 1 3 158.245 0.089 10 0 ACAEHO CC[C@@](N)(C[NH3+])[C@H]1CCOC1 306176151 345066572 /nfs/dbraw/zinc/06/65/72/345066572.db2.gz NKQTUCOVNCERHM-JGVFFNPUSA-N 1 3 158.245 0.089 10 0 ACAEHO CC[C@](N)(C[NH3+])[C@H]1CCOC1 306176153 345066641 /nfs/dbraw/zinc/06/66/41/345066641.db2.gz NKQTUCOVNCERHM-YUMQZZPRSA-N 1 3 158.245 0.089 10 0 ACAEHO CC[C@](N)(C[NH3+])[C@@H]1CCOC1 306176152 345066763 /nfs/dbraw/zinc/06/67/63/345066763.db2.gz NKQTUCOVNCERHM-SFYZADRCSA-N 1 3 158.245 0.089 10 0 ACAEHO CCC([NH3+])(CC)C1=NCCN1 306182919 345074016 /nfs/dbraw/zinc/07/40/16/345074016.db2.gz AVIOWWOTKXLEPQ-UHFFFAOYSA-N 1 3 155.245 0.506 10 0 ACAEHO CCN1CCCN(C(N)=[NH2+])[C@@H](C)C1 306185895 345076144 /nfs/dbraw/zinc/07/61/44/345076144.db2.gz APGGRTZBSHXCQI-QMMMGPOBSA-N 1 3 184.287 0.296 10 0 ACAEHO CCN1CCCN(C(N)=[NH2+])[C@H](C)C1 306185893 345076237 /nfs/dbraw/zinc/07/62/37/345076237.db2.gz APGGRTZBSHXCQI-MRVPVSSYSA-N 1 3 184.287 0.296 10 0 ACAEHO CC[C@H](N)C[N@@H+]1CCC[C@@]12CCOC2 306188287 345078284 /nfs/dbraw/zinc/07/82/84/345078284.db2.gz CNTJLJUQRJCBAH-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H](N)C[N@H+]1CCC[C@@]12CCOC2 306188287 345078287 /nfs/dbraw/zinc/07/82/87/345078287.db2.gz CNTJLJUQRJCBAH-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H](N)C[N@@H+]1CCC[C@]12CCOC2 306188290 345078434 /nfs/dbraw/zinc/07/84/34/345078434.db2.gz CNTJLJUQRJCBAH-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@H](N)C[N@H+]1CCC[C@]12CCOC2 306188290 345078436 /nfs/dbraw/zinc/07/84/36/345078436.db2.gz CNTJLJUQRJCBAH-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1C[C@](N)(C[NH3+])[C@@H]1C 306191054 345080848 /nfs/dbraw/zinc/08/08/48/345080848.db2.gz HGLKUMSTQHMFSU-QYNIQEEDSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@H]1[C@H](C)C[C@@]1(N)C[NH3+] 306191041 345080725 /nfs/dbraw/zinc/08/07/25/345080725.db2.gz HGLKUMSTQHMFSU-DSYKOEDSSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1C[C@@](N)(C[NH3+])[C@@H]1C 306191048 345080933 /nfs/dbraw/zinc/08/09/33/345080933.db2.gz HGLKUMSTQHMFSU-FSDSQADBSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@H]1[C@H](C)C[C@]1(N)C[NH3+] 306191060 345081387 /nfs/dbraw/zinc/08/13/87/345081387.db2.gz HGLKUMSTQHMFSU-VQVTYTSYSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1CC[C@@H]1[NH2+]CC1CNC1 306200151 345089064 /nfs/dbraw/zinc/08/90/64/345089064.db2.gz UGNXUPKWWQYKFS-APPZFPTMSA-N 1 3 154.257 0.594 10 0 ACAEHO N[C@@]1(C[NH3+])CCO[C@H](C(F)(F)F)C1 306198984 345087801 /nfs/dbraw/zinc/08/78/01/345087801.db2.gz ZIHNIZBDCSADJO-WDSKDSINSA-N 1 3 198.188 0.384 10 0 ACAEHO N[C@]1(C[NH3+])CCO[C@H](C(F)(F)F)C1 306198981 345087912 /nfs/dbraw/zinc/08/79/12/345087912.db2.gz ZIHNIZBDCSADJO-NTSWFWBYSA-N 1 3 198.188 0.384 10 0 ACAEHO N[C@]1(C[NH3+])CCO[C@@H](C(F)(F)F)C1 306198982 345087966 /nfs/dbraw/zinc/08/79/66/345087966.db2.gz ZIHNIZBDCSADJO-PHDIDXHHSA-N 1 3 198.188 0.384 10 0 ACAEHO C[NH+]1CCC(CN2CC(CO)C2)CC1 306199379 345088095 /nfs/dbraw/zinc/08/80/95/345088095.db2.gz ZWOVROQCNULOSV-UHFFFAOYSA-N 1 3 198.310 0.252 10 0 ACAEHO CN1CCC(C[NH+]2CC(CO)C2)CC1 306199379 345088097 /nfs/dbraw/zinc/08/80/97/345088097.db2.gz ZWOVROQCNULOSV-UHFFFAOYSA-N 1 3 198.310 0.252 10 0 ACAEHO C[C@H]1CC[C@H]1[NH2+]CC1CNC1 306200153 345089259 /nfs/dbraw/zinc/08/92/59/345089259.db2.gz UGNXUPKWWQYKFS-IONNQARKSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1CC[C@@H]1[NH2+]CC1CNC1 306200152 345089304 /nfs/dbraw/zinc/08/93/04/345089304.db2.gz UGNXUPKWWQYKFS-CBAPKCEASA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1CC[C@H]1[NH2+]CC1CNC1 306200154 345089347 /nfs/dbraw/zinc/08/93/47/345089347.db2.gz UGNXUPKWWQYKFS-VXNVDRBHSA-N 1 3 154.257 0.594 10 0 ACAEHO CC[N@@H+]1CC[C@](CN)(N2CCCC2)C1 306201503 345090386 /nfs/dbraw/zinc/09/03/86/345090386.db2.gz KXFOEHHZRVWPFZ-LLVKDONJSA-N 1 3 197.326 0.505 10 0 ACAEHO CC[N@H+]1CC[C@](CN)(N2CCCC2)C1 306201503 345090388 /nfs/dbraw/zinc/09/03/88/345090388.db2.gz KXFOEHHZRVWPFZ-LLVKDONJSA-N 1 3 197.326 0.505 10 0 ACAEHO CC[N@H+]1CC[C@@](CN)(N2CCCC2)C1 306201504 345090515 /nfs/dbraw/zinc/09/05/15/345090515.db2.gz KXFOEHHZRVWPFZ-NSHDSACASA-N 1 3 197.326 0.505 10 0 ACAEHO CC[N@@H+]1CC[C@@](CN)(N2CCCC2)C1 306201504 345090511 /nfs/dbraw/zinc/09/05/11/345090511.db2.gz KXFOEHHZRVWPFZ-NSHDSACASA-N 1 3 197.326 0.505 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH2+]CC1CC1 306204416 345092991 /nfs/dbraw/zinc/09/29/91/345092991.db2.gz PWRWWYZZDKNKLX-WCBMZHEXSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH2+]CC1CC1 306204417 345093197 /nfs/dbraw/zinc/09/31/97/345093197.db2.gz PWRWWYZZDKNKLX-WPRPVWTQSA-N 1 3 168.284 0.984 10 0 ACAEHO CC(C)([NH3+])CN[C@H]1CCSC1 306205554 345094239 /nfs/dbraw/zinc/09/42/39/345094239.db2.gz YNMWSLLRMAELCA-ZETCQYMHSA-N 1 3 174.313 0.819 10 0 ACAEHO CC(C)([NH3+])CN[C@@H]1CCSC1 306205552 345094299 /nfs/dbraw/zinc/09/42/99/345094299.db2.gz YNMWSLLRMAELCA-SSDOTTSWSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H](C[NH3+])CN1CC=CC1 306205931 345095026 /nfs/dbraw/zinc/09/50/26/345095026.db2.gz HSWLGOIZXHFLBQ-MRVPVSSYSA-N 1 3 140.230 0.453 10 0 ACAEHO C[C@@H](C[NH3+])CN1CC=CC1 306205932 345095325 /nfs/dbraw/zinc/09/53/25/345095325.db2.gz HSWLGOIZXHFLBQ-QMMMGPOBSA-N 1 3 140.230 0.453 10 0 ACAEHO COC1(C)CCN(C2CC([NH3+])C2)CC1 306207588 345096958 /nfs/dbraw/zinc/09/69/58/345096958.db2.gz CVGWAENPOJDMJE-UHFFFAOYSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N1CCC(O)CC1 306213812 345103963 /nfs/dbraw/zinc/10/39/63/345103963.db2.gz XVTPAGVMMYRWMV-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH+]1CCC(O)CC1 306213812 345103966 /nfs/dbraw/zinc/10/39/66/345103966.db2.gz XVTPAGVMMYRWMV-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1N1CCC(O)CC1 306213814 345104108 /nfs/dbraw/zinc/10/41/08/345104108.db2.gz XVTPAGVMMYRWMV-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH+]1CCC(O)CC1 306213814 345104109 /nfs/dbraw/zinc/10/41/09/345104109.db2.gz XVTPAGVMMYRWMV-ONGXEEELSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N1CCC(O)CC1 306213811 345104173 /nfs/dbraw/zinc/10/41/73/345104173.db2.gz XVTPAGVMMYRWMV-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH+]1CCC(O)CC1 306213811 345104176 /nfs/dbraw/zinc/10/41/76/345104176.db2.gz XVTPAGVMMYRWMV-GXSJLCMTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N1CCC(O)CC1 306213813 345104195 /nfs/dbraw/zinc/10/41/95/345104195.db2.gz XVTPAGVMMYRWMV-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH+]1CCC(O)CC1 306213813 345104198 /nfs/dbraw/zinc/10/41/98/345104198.db2.gz XVTPAGVMMYRWMV-MWLCHTKSSA-N 1 3 198.310 0.441 10 0 ACAEHO [NH3+]C[C@@H]1CCCCN([C@H]2CCOC2)C1 306213960 345104424 /nfs/dbraw/zinc/10/44/24/345104424.db2.gz MESGPGUIJARYJP-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCCC[N@@H+]([C@H]2CCOC2)C1 306213960 345104427 /nfs/dbraw/zinc/10/44/27/345104427.db2.gz MESGPGUIJARYJP-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCCC[N@H+]([C@H]2CCOC2)C1 306213960 345104428 /nfs/dbraw/zinc/10/44/28/345104428.db2.gz MESGPGUIJARYJP-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCCCN([C@H]2CCOC2)C1 306213959 345104530 /nfs/dbraw/zinc/10/45/30/345104530.db2.gz MESGPGUIJARYJP-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCCC[N@@H+]([C@H]2CCOC2)C1 306213959 345104533 /nfs/dbraw/zinc/10/45/33/345104533.db2.gz MESGPGUIJARYJP-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCCC[N@H+]([C@H]2CCOC2)C1 306213959 345104535 /nfs/dbraw/zinc/10/45/35/345104535.db2.gz MESGPGUIJARYJP-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCCCN([C@@H]2CCOC2)C1 306213961 345104614 /nfs/dbraw/zinc/10/46/14/345104614.db2.gz MESGPGUIJARYJP-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CCOC2)C1 306213961 345104615 /nfs/dbraw/zinc/10/46/15/345104615.db2.gz MESGPGUIJARYJP-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@@H]1CCCC[N@H+]([C@@H]2CCOC2)C1 306213961 345104619 /nfs/dbraw/zinc/10/46/19/345104619.db2.gz MESGPGUIJARYJP-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCCCN([C@@H]2CCOC2)C1 306213958 345104717 /nfs/dbraw/zinc/10/47/17/345104717.db2.gz MESGPGUIJARYJP-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCCC[N@@H+]([C@@H]2CCOC2)C1 306213958 345104720 /nfs/dbraw/zinc/10/47/20/345104720.db2.gz MESGPGUIJARYJP-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NC[C@H]1CCCC[N@H+]([C@@H]2CCOC2)C1 306213958 345104722 /nfs/dbraw/zinc/10/47/22/345104722.db2.gz MESGPGUIJARYJP-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO COCC1([N@H+]2CCCNCC2)CCC1 306215079 345105816 /nfs/dbraw/zinc/10/58/16/345105816.db2.gz NUSBIECENCZDGX-UHFFFAOYSA-N 1 3 198.310 0.851 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@H]1CN(C)C 306215878 345107161 /nfs/dbraw/zinc/10/71/61/345107161.db2.gz IKQZZYWEAGCFHF-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@@H]1CN(C)C 306215877 345107224 /nfs/dbraw/zinc/10/72/24/345107224.db2.gz IKQZZYWEAGCFHF-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@@H]1CN(C)C 306215879 345107314 /nfs/dbraw/zinc/10/73/14/345107314.db2.gz IKQZZYWEAGCFHF-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@H]1CN(C)C 306215876 345107337 /nfs/dbraw/zinc/10/73/37/345107337.db2.gz IKQZZYWEAGCFHF-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN1CCCN(C(=[NH2+])NC)CC1 306216657 345108220 /nfs/dbraw/zinc/10/82/20/345108220.db2.gz PXMDNLRAWXINQT-UHFFFAOYSA-N 1 3 184.287 0.168 10 0 ACAEHO CO[C@@H](C)CN1CCC[C@@H]([NH3+])CC1 306222288 345115179 /nfs/dbraw/zinc/11/51/79/345115179.db2.gz KIDZYGRJZPBUDS-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H](C)CN1CCC[C@@H]([NH3+])CC1 306222286 345115393 /nfs/dbraw/zinc/11/53/93/345115393.db2.gz KIDZYGRJZPBUDS-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@@H](C)CN1CCC[C@H]([NH3+])CC1 306222287 345115536 /nfs/dbraw/zinc/11/55/36/345115536.db2.gz KIDZYGRJZPBUDS-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CO[C@H](C)CN1CCC[C@H]([NH3+])CC1 306222289 345115572 /nfs/dbraw/zinc/11/55/72/345115572.db2.gz KIDZYGRJZPBUDS-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1SCC[C@]1(CN)[NH+]1CCC1 306231561 345125083 /nfs/dbraw/zinc/12/50/83/345125083.db2.gz BFDFGTVFUBOEBU-DTWKUNHWSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@H]1SCC[C@]1(CN)[NH+]1CCC1 306231577 345125130 /nfs/dbraw/zinc/12/51/30/345125130.db2.gz BFDFGTVFUBOEBU-RKDXNWHRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@H]1SCC[C@@]1(CN)[NH+]1CCC1 306231552 345125225 /nfs/dbraw/zinc/12/52/25/345125225.db2.gz BFDFGTVFUBOEBU-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@@H]1SCC[C@@]1(CN)[NH+]1CCC1 306231570 345125384 /nfs/dbraw/zinc/12/53/84/345125384.db2.gz BFDFGTVFUBOEBU-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO CC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)COC1 306234676 345127472 /nfs/dbraw/zinc/12/74/72/345127472.db2.gz GFPVAXZPHYJZOQ-UWVGGRQHSA-N 1 3 196.294 0.174 10 0 ACAEHO CC1(CN2C[C@@H]3C[NH2+]C[C@@H]3C2)COC1 306234674 345127640 /nfs/dbraw/zinc/12/76/40/345127640.db2.gz GFPVAXZPHYJZOQ-AOOOYVTPSA-N 1 3 196.294 0.174 10 0 ACAEHO CC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)COC1 306234675 345127687 /nfs/dbraw/zinc/12/76/87/345127687.db2.gz GFPVAXZPHYJZOQ-NXEZZACHSA-N 1 3 196.294 0.174 10 0 ACAEHO [NH3+][C@@H]1COC[C@H]1Nc1ccncc1 306236911 345129865 /nfs/dbraw/zinc/12/98/65/345129865.db2.gz NZRHIQBFBOHBLW-RKDXNWHRSA-N 1 3 179.223 0.220 10 0 ACAEHO [NH3+][C@H]1COC[C@H]1Nc1ccncc1 306236909 345129892 /nfs/dbraw/zinc/12/98/92/345129892.db2.gz NZRHIQBFBOHBLW-DTWKUNHWSA-N 1 3 179.223 0.220 10 0 ACAEHO [NH3+][C@H]1COC[C@@H]1Nc1ccncc1 306236910 345129898 /nfs/dbraw/zinc/12/98/98/345129898.db2.gz NZRHIQBFBOHBLW-IUCAKERBSA-N 1 3 179.223 0.220 10 0 ACAEHO [NH3+][C@@H]1COC[C@@H]1Nc1ccncc1 306236908 345129962 /nfs/dbraw/zinc/12/99/62/345129962.db2.gz NZRHIQBFBOHBLW-BDAKNGLRSA-N 1 3 179.223 0.220 10 0 ACAEHO O[C@@H]([C@@H]1CCCCN1)[C@@H]1C=CC[NH2+]1 306237663 345130321 /nfs/dbraw/zinc/13/03/21/345130321.db2.gz IIAKMCYNKVUUSK-GUBZILKMSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@H]([C@@H]1C=CCN1)[C@@H]1CCCC[NH2+]1 306237663 345130325 /nfs/dbraw/zinc/13/03/25/345130325.db2.gz IIAKMCYNKVUUSK-GUBZILKMSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@@H]([C@@H]1CCCCN1)[C@H]1C=CC[NH2+]1 306237659 345130442 /nfs/dbraw/zinc/13/04/42/345130442.db2.gz IIAKMCYNKVUUSK-AEJSXWLSSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@@H]([C@@H]1CCCC[NH2+]1)[C@H]1C=CCN1 306237659 345130445 /nfs/dbraw/zinc/13/04/45/345130445.db2.gz IIAKMCYNKVUUSK-AEJSXWLSSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@@H]([C@H]1CCCCN1)[C@H]1C=CC[NH2+]1 306237661 345130576 /nfs/dbraw/zinc/13/05/76/345130576.db2.gz IIAKMCYNKVUUSK-BBBLOLIVSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@H]([C@H]1C=CCN1)[C@H]1CCCC[NH2+]1 306237661 345130577 /nfs/dbraw/zinc/13/05/77/345130577.db2.gz IIAKMCYNKVUUSK-BBBLOLIVSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@H]([C@@H]1C=CC[NH2+]1)[C@H]1CCCCN1 306237665 345130621 /nfs/dbraw/zinc/13/06/21/345130621.db2.gz IIAKMCYNKVUUSK-UTLUCORTSA-N 1 3 182.267 0.017 10 0 ACAEHO O[C@H]([C@@H]1C=CCN1)[C@H]1CCCC[NH2+]1 306237665 345130623 /nfs/dbraw/zinc/13/06/23/345130623.db2.gz IIAKMCYNKVUUSK-UTLUCORTSA-N 1 3 182.267 0.017 10 0 ACAEHO CN[C@@]1(C[NH3+])CCOC1(C)C 306237927 345131125 /nfs/dbraw/zinc/13/11/25/345131125.db2.gz PHEMZLHRVPYLTC-MRVPVSSYSA-N 1 3 158.245 0.102 10 0 ACAEHO CN[C@]1(C[NH3+])CCOC1(C)C 306237928 345131139 /nfs/dbraw/zinc/13/11/39/345131139.db2.gz PHEMZLHRVPYLTC-QMMMGPOBSA-N 1 3 158.245 0.102 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@@H](O)CC1 306242719 345134719 /nfs/dbraw/zinc/13/47/19/345134719.db2.gz SMXZLGNXPCOJPE-MRVPVSSYSA-N 1 3 185.271 0.159 10 0 ACAEHO CC1(C)OC[C@@H](CN2CCC2)[C@H]1[NH3+] 306242285 345134889 /nfs/dbraw/zinc/13/48/89/345134889.db2.gz AEGWFWFNTQJDLP-RKDXNWHRSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)OC[C@@H](C[NH+]2CCC2)[C@H]1N 306242285 345134892 /nfs/dbraw/zinc/13/48/92/345134892.db2.gz AEGWFWFNTQJDLP-RKDXNWHRSA-N 1 3 184.283 0.444 10 0 ACAEHO NC(=[NH2+])CCN1CCC[C@H](O)CC1 306242721 345135030 /nfs/dbraw/zinc/13/50/30/345135030.db2.gz SMXZLGNXPCOJPE-QMMMGPOBSA-N 1 3 185.271 0.159 10 0 ACAEHO CC1(C)OC[C@H](CN2CCC2)[C@H]1[NH3+] 306242282 345135097 /nfs/dbraw/zinc/13/50/97/345135097.db2.gz AEGWFWFNTQJDLP-DTWKUNHWSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)OC[C@H](C[NH+]2CCC2)[C@H]1N 306242282 345135098 /nfs/dbraw/zinc/13/50/98/345135098.db2.gz AEGWFWFNTQJDLP-DTWKUNHWSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)OC[C@H](CN2CCC2)[C@@H]1[NH3+] 306242283 345135100 /nfs/dbraw/zinc/13/51/00/345135100.db2.gz AEGWFWFNTQJDLP-IUCAKERBSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)OC[C@H](C[NH+]2CCC2)[C@@H]1N 306242283 345135101 /nfs/dbraw/zinc/13/51/01/345135101.db2.gz AEGWFWFNTQJDLP-IUCAKERBSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)[C@H](N)CC[N@@H+]1[C@H]1CCOC1 306243378 345135304 /nfs/dbraw/zinc/13/53/04/345135304.db2.gz UHRDVISHJLKODO-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@H](N)CC[N@H+]1[C@H]1CCOC1 306243378 345135305 /nfs/dbraw/zinc/13/53/05/345135305.db2.gz UHRDVISHJLKODO-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@@H](N)CC[N@@H+]1[C@@H]1CCOC1 306243377 345135358 /nfs/dbraw/zinc/13/53/58/345135358.db2.gz UHRDVISHJLKODO-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@@H](N)CC[N@H+]1[C@@H]1CCOC1 306243377 345135361 /nfs/dbraw/zinc/13/53/61/345135361.db2.gz UHRDVISHJLKODO-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@@H](N)CC[N@@H+]1[C@H]1CCOC1 306243380 345135397 /nfs/dbraw/zinc/13/53/97/345135397.db2.gz UHRDVISHJLKODO-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@@H](N)CC[N@H+]1[C@H]1CCOC1 306243380 345135400 /nfs/dbraw/zinc/13/54/00/345135400.db2.gz UHRDVISHJLKODO-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@H](N)CC[N@@H+]1[C@@H]1CCOC1 306243382 345135565 /nfs/dbraw/zinc/13/55/65/345135565.db2.gz UHRDVISHJLKODO-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)[C@H](N)CC[N@H+]1[C@@H]1CCOC1 306243382 345135568 /nfs/dbraw/zinc/13/55/68/345135568.db2.gz UHRDVISHJLKODO-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)COC[C@H]1NC1CC([NH3+])C1 306243816 345135968 /nfs/dbraw/zinc/13/59/68/345135968.db2.gz AMWZOUOYDWOSDI-AMDVSUOASA-N 1 3 184.283 0.491 10 0 ACAEHO CC1(C)COC[C@@H]1NC1CC([NH3+])C1 306243817 345136174 /nfs/dbraw/zinc/13/61/74/345136174.db2.gz AMWZOUOYDWOSDI-HACHORDNSA-N 1 3 184.283 0.491 10 0 ACAEHO COC1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)C1 306246838 345138706 /nfs/dbraw/zinc/13/87/06/345138706.db2.gz VQQNIYYUODFAJH-VHSXEESVSA-N 1 3 198.310 0.705 10 0 ACAEHO CN(CC[NH3+])[C@@]1(C)CCC[C@]1(C)O 306246781 345138763 /nfs/dbraw/zinc/13/87/63/345138763.db2.gz VNZVIVRDFZJBAV-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO COC1CN(C[C@H]2CC[NH2+][C@@H](C)C2)C1 306246828 345138776 /nfs/dbraw/zinc/13/87/76/345138776.db2.gz VQQNIYYUODFAJH-UWVGGRQHSA-N 1 3 198.310 0.705 10 0 ACAEHO CN(CC[NH3+])[C@]1(C)CCC[C@]1(C)O 306246783 345138818 /nfs/dbraw/zinc/13/88/18/345138818.db2.gz VNZVIVRDFZJBAV-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO COC1CN(C[C@H]2CC[NH2+][C@H](C)C2)C1 306246848 345138824 /nfs/dbraw/zinc/13/88/24/345138824.db2.gz VQQNIYYUODFAJH-ZJUUUORDSA-N 1 3 198.310 0.705 10 0 ACAEHO CN(CC[NH3+])[C@@]1(C)CCC[C@@]1(C)O 306246782 345138875 /nfs/dbraw/zinc/13/88/75/345138875.db2.gz VNZVIVRDFZJBAV-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO COC1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C1 306246818 345138948 /nfs/dbraw/zinc/13/89/48/345138948.db2.gz VQQNIYYUODFAJH-NXEZZACHSA-N 1 3 198.310 0.705 10 0 ACAEHO CN(CC[NH3+])[C@]1(C)CCC[C@@]1(C)O 306246780 345138988 /nfs/dbraw/zinc/13/89/88/345138988.db2.gz VNZVIVRDFZJBAV-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC(CN1CCC1)=C1C[NH2+]C1 306251656 345143905 /nfs/dbraw/zinc/14/39/05/345143905.db2.gz IRKOMJGOWGRTAX-UHFFFAOYSA-N 1 3 152.241 0.612 10 0 ACAEHO CC1(C)[C@H](O)CCN1CCC(N)=[NH2+] 306258069 345148586 /nfs/dbraw/zinc/14/85/86/345148586.db2.gz RGJBVOGZZHMQMO-SSDOTTSWSA-N 1 3 185.271 0.158 10 0 ACAEHO CC1(C)[C@@H](O)CCN1CCC(N)=[NH2+] 306258071 345148899 /nfs/dbraw/zinc/14/88/99/345148899.db2.gz RGJBVOGZZHMQMO-ZETCQYMHSA-N 1 3 185.271 0.158 10 0 ACAEHO CN[C@H](C)CC1=[NH+]CCCN1 306259810 345150447 /nfs/dbraw/zinc/15/04/47/345150447.db2.gz STMPXKOKAYMLOQ-SSDOTTSWSA-N 1 3 155.245 0.376 10 0 ACAEHO CN[C@@H](C)CC1=[NH+]CCCN1 306259811 345150503 /nfs/dbraw/zinc/15/05/03/345150503.db2.gz STMPXKOKAYMLOQ-ZETCQYMHSA-N 1 3 155.245 0.376 10 0 ACAEHO COC1CN(C[C@H]2CC[NH2+]C[C@@H]2C)C1 306262309 345152267 /nfs/dbraw/zinc/15/22/67/345152267.db2.gz XGCPOEGVVWDONJ-VHSXEESVSA-N 1 3 198.310 0.563 10 0 ACAEHO COC1CN(C[C@H]2CC[NH2+]C[C@H]2C)C1 306262307 345152332 /nfs/dbraw/zinc/15/23/32/345152332.db2.gz XGCPOEGVVWDONJ-NXEZZACHSA-N 1 3 198.310 0.563 10 0 ACAEHO COC1CN(C[C@@H]2CC[NH2+]C[C@H]2C)C1 306262310 345152358 /nfs/dbraw/zinc/15/23/58/345152358.db2.gz XGCPOEGVVWDONJ-ZJUUUORDSA-N 1 3 198.310 0.563 10 0 ACAEHO COC1CN(C[C@@H]2CC[NH2+]C[C@@H]2C)C1 306262308 345152583 /nfs/dbraw/zinc/15/25/83/345152583.db2.gz XGCPOEGVVWDONJ-UWVGGRQHSA-N 1 3 198.310 0.563 10 0 ACAEHO C1C[C@H]2C[N@@H+](CC3CC3)C[C@@H]2CN1 306263350 345153671 /nfs/dbraw/zinc/15/36/71/345153671.db2.gz CMGGQQIINKTKCZ-QWRGUYRKSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[C@H]2C[N@H+](CC3CC3)C[C@@H]2CN1 306263350 345153672 /nfs/dbraw/zinc/15/36/72/345153672.db2.gz CMGGQQIINKTKCZ-QWRGUYRKSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]2CN1 306263348 345153806 /nfs/dbraw/zinc/15/38/06/345153806.db2.gz CMGGQQIINKTKCZ-GHMZBOCLSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[C@@H]2C[N@H+](CC3CC3)C[C@H]2CN1 306263348 345153807 /nfs/dbraw/zinc/15/38/07/345153807.db2.gz CMGGQQIINKTKCZ-GHMZBOCLSA-N 1 3 180.295 0.938 10 0 ACAEHO C[C@H]1CNC[C@@H](C)[C@@H]1[NH+](C)C 306268202 345157256 /nfs/dbraw/zinc/15/72/56/345157256.db2.gz JCIHJQGIECMFCJ-BRPSZJMVSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H](C)[C@@H]1N(C)C 306268202 345157257 /nfs/dbraw/zinc/15/72/57/345157257.db2.gz JCIHJQGIECMFCJ-BRPSZJMVSA-N 1 3 156.273 0.792 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H](CN(C)C)C1 306270894 345158984 /nfs/dbraw/zinc/15/89/84/345158984.db2.gz QOLOZKIUMUWMAF-RKDXNWHRSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](CN(C)C)C1 306270893 345159054 /nfs/dbraw/zinc/15/90/54/345159054.db2.gz QOLOZKIUMUWMAF-IUCAKERBSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H](CN(C)C)C1 306270892 345159069 /nfs/dbraw/zinc/15/90/69/345159069.db2.gz QOLOZKIUMUWMAF-DTWKUNHWSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H](CN(C)C)C1 306270891 345159213 /nfs/dbraw/zinc/15/92/13/345159213.db2.gz QOLOZKIUMUWMAF-BDAKNGLRSA-N 1 3 156.273 0.794 10 0 ACAEHO CC1(C)OCC[C@@H]1NC1CC([NH3+])C1 306279410 345165566 /nfs/dbraw/zinc/16/55/66/345165566.db2.gz SCOKRQPHZYDJAW-HACHORDNSA-N 1 3 184.283 0.633 10 0 ACAEHO CC1(C)OCC[C@H]1NC1CC([NH3+])C1 306279408 345165821 /nfs/dbraw/zinc/16/58/21/345165821.db2.gz SCOKRQPHZYDJAW-AMDVSUOASA-N 1 3 184.283 0.633 10 0 ACAEHO CN1CC[C@H](N(C)C2CC([NH3+])C2)C1 306285531 345169079 /nfs/dbraw/zinc/16/90/79/345169079.db2.gz COEXGRLRVNAMHE-KYHHOPLUSA-N 1 3 183.299 0.112 10 0 ACAEHO CN1CC[C@@H](N(C)C2CC([NH3+])C2)C1 306285528 345169299 /nfs/dbraw/zinc/16/92/99/345169299.db2.gz COEXGRLRVNAMHE-HWOCKDDLSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CC=CC1 306298307 345178989 /nfs/dbraw/zinc/17/89/89/345178989.db2.gz JOIIKXBFEHYDHY-DTWKUNHWSA-N 1 3 154.257 0.984 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N1CC=CC1 306298305 345179181 /nfs/dbraw/zinc/17/91/81/345179181.db2.gz JOIIKXBFEHYDHY-BDAKNGLRSA-N 1 3 154.257 0.984 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N1CC=CC1 306298310 345179213 /nfs/dbraw/zinc/17/92/13/345179213.db2.gz JOIIKXBFEHYDHY-RKDXNWHRSA-N 1 3 154.257 0.984 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N1CC=CC1 306298308 345179278 /nfs/dbraw/zinc/17/92/78/345179278.db2.gz JOIIKXBFEHYDHY-IUCAKERBSA-N 1 3 154.257 0.984 10 0 ACAEHO C[C@@]1(C[NH3+])CCN(C2CC2)C1 306343468 345217772 /nfs/dbraw/zinc/21/77/72/345217772.db2.gz MEMSGBYEHLHQRP-VIFPVBQESA-N 1 3 154.257 0.820 10 0 ACAEHO CC[C@@]1(N2CCC([NH3+])CC2)CCOC1 306299720 345180456 /nfs/dbraw/zinc/18/04/56/345180456.db2.gz FBGCPKYNRYPXST-LLVKDONJSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CCC[C@@H](O)C1 306310269 345189388 /nfs/dbraw/zinc/18/93/88/345189388.db2.gz SZGJWQCRKSJKFE-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@@H](O)C1 306310270 345189487 /nfs/dbraw/zinc/18/94/87/345189487.db2.gz SZGJWQCRKSJKFE-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@@H](O)C1 306310270 345189488 /nfs/dbraw/zinc/18/94/88/345189488.db2.gz SZGJWQCRKSJKFE-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@H](O)C1 306310268 345189544 /nfs/dbraw/zinc/18/95/44/345189544.db2.gz SZGJWQCRKSJKFE-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@H](O)C1 306310268 345189545 /nfs/dbraw/zinc/18/95/45/345189545.db2.gz SZGJWQCRKSJKFE-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCC[C@H](O)C1 306310272 345189598 /nfs/dbraw/zinc/18/95/98/345189598.db2.gz SZGJWQCRKSJKFE-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CCC[C@H](O)C1 306310272 345189602 /nfs/dbraw/zinc/18/96/02/345189602.db2.gz SZGJWQCRKSJKFE-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO CN[C@]1(C[NH3+])CSC[C@@H]1C 306317205 345195012 /nfs/dbraw/zinc/19/50/12/345195012.db2.gz FMCXXABZMADTIG-NKWVEPMBSA-N 1 3 160.286 0.286 10 0 ACAEHO CN[C@@]1(C[NH3+])CSC[C@H]1C 306317209 345195200 /nfs/dbraw/zinc/19/52/00/345195200.db2.gz FMCXXABZMADTIG-RQJHMYQMSA-N 1 3 160.286 0.286 10 0 ACAEHO CN[C@@]1(C[NH3+])CSC[C@@H]1C 306317203 345195315 /nfs/dbraw/zinc/19/53/15/345195315.db2.gz FMCXXABZMADTIG-BQBZGAKWSA-N 1 3 160.286 0.286 10 0 ACAEHO CN[C@]1(C[NH3+])CSC[C@H]1C 306317207 345195341 /nfs/dbraw/zinc/19/53/41/345195341.db2.gz FMCXXABZMADTIG-RNFRBKRXSA-N 1 3 160.286 0.286 10 0 ACAEHO COCC1(N2CCC([NH3+])CC2)CCC1 306321017 345198917 /nfs/dbraw/zinc/19/89/17/345198917.db2.gz TWHROBJYQCRQSV-UHFFFAOYSA-N 1 3 198.310 0.979 10 0 ACAEHO NC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C1 306325101 345202479 /nfs/dbraw/zinc/20/24/79/345202479.db2.gz PYHDETOIPGHYCU-AXFHLTTASA-N 1 3 198.310 0.428 10 0 ACAEHO NC[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C1 306325101 345202482 /nfs/dbraw/zinc/20/24/82/345202482.db2.gz PYHDETOIPGHYCU-AXFHLTTASA-N 1 3 198.310 0.428 10 0 ACAEHO NC[C@@H](O)C[NH+]1CCC2(CCC2)CC1 306325935 345203170 /nfs/dbraw/zinc/20/31/70/345203170.db2.gz HTXIUPLFDAQPRK-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO C[C@H]1CC[C@@]1(C[NH3+])NC1CC1 306325752 345203106 /nfs/dbraw/zinc/20/31/06/345203106.db2.gz QUMUPOROOUEYEP-CBAPKCEASA-N 1 3 154.257 0.866 10 0 ACAEHO [NH3+]C[C@@H](O)CN1CCC2(CCC2)CC1 306325935 345203174 /nfs/dbraw/zinc/20/31/74/345203174.db2.gz HTXIUPLFDAQPRK-SNVBAGLBSA-N 1 3 198.310 0.572 10 0 ACAEHO C[C@H]1CC[C@]1(C[NH3+])NC1CC1 306325753 345203402 /nfs/dbraw/zinc/20/34/02/345203402.db2.gz QUMUPOROOUEYEP-IONNQARKSA-N 1 3 154.257 0.866 10 0 ACAEHO NC[C@H](O)C[NH+]1CCC2(CCC2)CC1 306325933 345203423 /nfs/dbraw/zinc/20/34/23/345203423.db2.gz HTXIUPLFDAQPRK-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO [NH3+]C[C@H](O)CN1CCC2(CCC2)CC1 306325933 345203427 /nfs/dbraw/zinc/20/34/27/345203427.db2.gz HTXIUPLFDAQPRK-JTQLQIEISA-N 1 3 198.310 0.572 10 0 ACAEHO C[C@@H]1CC[C@@]1(C[NH3+])NC1CC1 306325751 345203485 /nfs/dbraw/zinc/20/34/85/345203485.db2.gz QUMUPOROOUEYEP-APPZFPTMSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H]1CC[C@]1(C[NH3+])NC1CC1 306325754 345203635 /nfs/dbraw/zinc/20/36/35/345203635.db2.gz QUMUPOROOUEYEP-VXNVDRBHSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@]1(CN)CC[N@@H+](C2CC2)C1 306343466 345217632 /nfs/dbraw/zinc/21/76/32/345217632.db2.gz MEMSGBYEHLHQRP-SECBINFHSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@]1(CN)CC[N@H+](C2CC2)C1 306343466 345217634 /nfs/dbraw/zinc/21/76/34/345217634.db2.gz MEMSGBYEHLHQRP-SECBINFHSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@]1(C[NH3+])CCN(C2CC2)C1 306343466 345217636 /nfs/dbraw/zinc/21/76/36/345217636.db2.gz MEMSGBYEHLHQRP-SECBINFHSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+](C2CC2)C1 306343468 345217763 /nfs/dbraw/zinc/21/77/63/345217763.db2.gz MEMSGBYEHLHQRP-VIFPVBQESA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@]1(CN)CC[N@H+](C2CC2)C1 306343468 345217767 /nfs/dbraw/zinc/21/77/67/345217767.db2.gz MEMSGBYEHLHQRP-VIFPVBQESA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@]1(C[NH3+])CCN([C@H]2CCC(=O)C2)C1 306345316 345219353 /nfs/dbraw/zinc/21/93/53/345219353.db2.gz OFGMTCWZBHVRPG-ONGXEEELSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+]([C@H]2CCC(=O)C2)C1 306345316 345219355 /nfs/dbraw/zinc/21/93/55/345219355.db2.gz OFGMTCWZBHVRPG-ONGXEEELSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@@]1(CN)CC[N@H+]([C@H]2CCC(=O)C2)C1 306345316 345219358 /nfs/dbraw/zinc/21/93/58/345219358.db2.gz OFGMTCWZBHVRPG-ONGXEEELSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@@]1(C[NH3+])CCN([C@@H]2CCC(=O)C2)C1 306345314 345219471 /nfs/dbraw/zinc/21/94/71/345219471.db2.gz OFGMTCWZBHVRPG-KOLCDFICSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+]([C@@H]2CCC(=O)C2)C1 306345314 345219475 /nfs/dbraw/zinc/21/94/75/345219475.db2.gz OFGMTCWZBHVRPG-KOLCDFICSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@@]1(CN)CC[N@H+]([C@@H]2CCC(=O)C2)C1 306345314 345219478 /nfs/dbraw/zinc/21/94/78/345219478.db2.gz OFGMTCWZBHVRPG-KOLCDFICSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@@H]2CCC(=O)C2)C1 306345315 345219558 /nfs/dbraw/zinc/21/95/58/345219558.db2.gz OFGMTCWZBHVRPG-MWLCHTKSSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@@H]2CCC(=O)C2)C1 306345315 345219559 /nfs/dbraw/zinc/21/95/59/345219559.db2.gz OFGMTCWZBHVRPG-MWLCHTKSSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@@H]2CCC(=O)C2)C1 306345315 345219561 /nfs/dbraw/zinc/21/95/61/345219561.db2.gz OFGMTCWZBHVRPG-MWLCHTKSSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@H]2CCC(=O)C2)C1 306345313 345219693 /nfs/dbraw/zinc/21/96/93/345219693.db2.gz OFGMTCWZBHVRPG-GXSJLCMTSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@H]2CCC(=O)C2)C1 306345313 345219695 /nfs/dbraw/zinc/21/96/95/345219695.db2.gz OFGMTCWZBHVRPG-GXSJLCMTSA-N 1 3 196.294 0.779 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@H]2CCC(=O)C2)C1 306345313 345219696 /nfs/dbraw/zinc/21/96/96/345219696.db2.gz OFGMTCWZBHVRPG-GXSJLCMTSA-N 1 3 196.294 0.779 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCN[C@@H]1C 306353745 345225806 /nfs/dbraw/zinc/22/58/06/345225806.db2.gz IPEVBRZCGXWVIM-HTQZYQBOSA-N 1 3 142.246 0.735 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCN[C@H]1C 306353755 345225920 /nfs/dbraw/zinc/22/59/20/345225920.db2.gz IPEVBRZCGXWVIM-JGVFFNPUSA-N 1 3 142.246 0.735 10 0 ACAEHO CC(C)[NH2+][C@H]1CCN[C@@H]1C 306353767 345226077 /nfs/dbraw/zinc/22/60/77/345226077.db2.gz IPEVBRZCGXWVIM-SFYZADRCSA-N 1 3 142.246 0.735 10 0 ACAEHO CC(C)[NH2+][C@H]1CCN[C@H]1C 306353779 345226144 /nfs/dbraw/zinc/22/61/44/345226144.db2.gz IPEVBRZCGXWVIM-YUMQZZPRSA-N 1 3 142.246 0.735 10 0 ACAEHO C[C@@H](N)C[N@H+]1CCC12CCC2 306364315 345234433 /nfs/dbraw/zinc/23/44/33/345234433.db2.gz DTELADXXXIIPMB-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H](CO)N1CC[C@H]([NH3+])[C@H](C)C1 306363608 345233734 /nfs/dbraw/zinc/23/37/34/345233734.db2.gz YQOHMRIZHPTELW-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CO)N1CC[C@@H]([NH3+])[C@H](C)C1 306363606 345233758 /nfs/dbraw/zinc/23/37/58/345233758.db2.gz YQOHMRIZHPTELW-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1CN([C@H](C)CO)CC[C@H]1[NH3+] 306363607 345233768 /nfs/dbraw/zinc/23/37/68/345233768.db2.gz YQOHMRIZHPTELW-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1CN([C@H](C)CO)CC[C@@H]1[NH3+] 306363605 345233822 /nfs/dbraw/zinc/23/38/22/345233822.db2.gz YQOHMRIZHPTELW-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CCC12CCC2 306364315 345234430 /nfs/dbraw/zinc/23/44/30/345234430.db2.gz DTELADXXXIIPMB-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H](N)C[N@@H+]1CCC12CCC2 306364332 345234693 /nfs/dbraw/zinc/23/46/93/345234693.db2.gz DTELADXXXIIPMB-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H](N)C[N@H+]1CCC12CCC2 306364332 345234695 /nfs/dbraw/zinc/23/46/95/345234695.db2.gz DTELADXXXIIPMB-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO CCN1CCCN(CC2C[NH2+]C2)CC1 306365917 345235832 /nfs/dbraw/zinc/23/58/32/345235832.db2.gz JEQVUZKWQZDIOC-UHFFFAOYSA-N 1 3 197.326 0.233 10 0 ACAEHO C[C@H]1C[C@](CN)(N2CCC2)C[N@@H+]1C 306366805 345235909 /nfs/dbraw/zinc/23/59/09/345235909.db2.gz GCLPTTNXCOOOLS-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1C[C@](CN)(N2CCC2)C[N@H+]1C 306366805 345235912 /nfs/dbraw/zinc/23/59/12/345235912.db2.gz GCLPTTNXCOOOLS-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1C[C@](C[NH3+])(N2CCC2)CN1C 306366805 345235917 /nfs/dbraw/zinc/23/59/17/345235917.db2.gz GCLPTTNXCOOOLS-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO COC1(C)CC[NH+](C[C@@H](C)N)CC1 306366906 345235959 /nfs/dbraw/zinc/23/59/59/345235959.db2.gz BDXMVCJGSBWWDC-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1C[C@](CN)(N2CCC2)C[N@@H+]1C 306366803 345235993 /nfs/dbraw/zinc/23/59/93/345235993.db2.gz GCLPTTNXCOOOLS-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]1C[C@](CN)(N2CCC2)C[N@H+]1C 306366803 345235996 /nfs/dbraw/zinc/23/59/96/345235996.db2.gz GCLPTTNXCOOOLS-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]1C[C@](C[NH3+])(N2CCC2)CN1C 306366803 345235999 /nfs/dbraw/zinc/23/59/99/345235999.db2.gz GCLPTTNXCOOOLS-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]1C[C@@](CN)(N2CCC2)C[N@@H+]1C 306366807 345236266 /nfs/dbraw/zinc/23/62/66/345236266.db2.gz GCLPTTNXCOOOLS-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO COC1(C)CC[NH+](C[C@H](C)N)CC1 306366908 345236257 /nfs/dbraw/zinc/23/62/57/345236257.db2.gz BDXMVCJGSBWWDC-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1C[C@@](CN)(N2CCC2)C[N@H+]1C 306366807 345236270 /nfs/dbraw/zinc/23/62/70/345236270.db2.gz GCLPTTNXCOOOLS-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@@H]1C[C@@](C[NH3+])(N2CCC2)CN1C 306366807 345236273 /nfs/dbraw/zinc/23/62/73/345236273.db2.gz GCLPTTNXCOOOLS-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1C[C@@](CN)(N2CCC2)C[N@@H+]1C 306366804 345236302 /nfs/dbraw/zinc/23/63/02/345236302.db2.gz GCLPTTNXCOOOLS-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1C[C@@](CN)(N2CCC2)C[N@H+]1C 306366804 345236303 /nfs/dbraw/zinc/23/63/03/345236303.db2.gz GCLPTTNXCOOOLS-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H]1C[C@@](C[NH3+])(N2CCC2)CN1C 306366804 345236305 /nfs/dbraw/zinc/23/63/05/345236305.db2.gz GCLPTTNXCOOOLS-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO [NH3+]C1(C2=NCCN2)CCCCC1 306367071 345236790 /nfs/dbraw/zinc/23/67/90/345236790.db2.gz KDDZFFJIRXSWJV-UHFFFAOYSA-N 1 3 167.256 0.650 10 0 ACAEHO CC(C)(N)C[NH2+][C@@H]1CCOC1 306377529 345244418 /nfs/dbraw/zinc/24/44/18/345244418.db2.gz WQISLNLPRMOROI-SSDOTTSWSA-N 1 3 158.245 0.102 10 0 ACAEHO CC(C)(N)C[NH2+][C@H]1CCOC1 306377530 345244561 /nfs/dbraw/zinc/24/45/61/345244561.db2.gz WQISLNLPRMOROI-ZETCQYMHSA-N 1 3 158.245 0.102 10 0 ACAEHO C[C@H](N)[C@H](C)[NH+]1CCC(C)(O)CC1 306378558 345244858 /nfs/dbraw/zinc/24/48/58/345244858.db2.gz OJEQQCDKRPWSJW-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH+]1CCC(C)(O)CC1 306378556 345244891 /nfs/dbraw/zinc/24/48/91/345244891.db2.gz OJEQQCDKRPWSJW-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]([C@@H](C)N)[NH+]1CCC(C)(O)CC1 306378554 345245087 /nfs/dbraw/zinc/24/50/87/345245087.db2.gz OJEQQCDKRPWSJW-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH+]1CCC(C)(O)CC1 306378560 345245105 /nfs/dbraw/zinc/24/51/05/345245105.db2.gz OJEQQCDKRPWSJW-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[NH2+][C@H]1CCCN(CC2CN(C)C2)C1 306387896 345251981 /nfs/dbraw/zinc/25/19/81/345251981.db2.gz ULGJWLYUSRQIFY-NSHDSACASA-N 1 3 197.326 0.232 10 0 ACAEHO C[NH2+][C@@H]1CCCN(CC2CN(C)C2)C1 306387894 345252082 /nfs/dbraw/zinc/25/20/82/345252082.db2.gz ULGJWLYUSRQIFY-LLVKDONJSA-N 1 3 197.326 0.232 10 0 ACAEHO CC(C)(N)[C@H](F)[C@@H]1C=CC[NH2+]1 306399656 345261067 /nfs/dbraw/zinc/26/10/67/345261067.db2.gz MXVBQQHMCIOHHR-NKWVEPMBSA-N 1 3 158.220 0.590 10 0 ACAEHO CC(C)(N)[C@H](F)[C@H]1C=CC[NH2+]1 306399657 345261110 /nfs/dbraw/zinc/26/11/10/345261110.db2.gz MXVBQQHMCIOHHR-RNFRBKRXSA-N 1 3 158.220 0.590 10 0 ACAEHO CC(C)(N)[C@@H](F)[C@H]1C=CC[NH2+]1 306399658 345261133 /nfs/dbraw/zinc/26/11/33/345261133.db2.gz MXVBQQHMCIOHHR-RQJHMYQMSA-N 1 3 158.220 0.590 10 0 ACAEHO CC(C)(N)[C@@H](F)[C@@H]1C=CC[NH2+]1 306399655 345261167 /nfs/dbraw/zinc/26/11/67/345261167.db2.gz MXVBQQHMCIOHHR-BQBZGAKWSA-N 1 3 158.220 0.590 10 0 ACAEHO [NH3+][C@@H]1CCN([C@@H]2CCCOCC2)C1 306404246 345263986 /nfs/dbraw/zinc/26/39/86/345263986.db2.gz HVTCENIWIJNRIW-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+][C@@H]1CCN([C@H]2CCCOCC2)C1 306404247 345264004 /nfs/dbraw/zinc/26/40/04/345264004.db2.gz HVTCENIWIJNRIW-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO CC[C@](N)(C[NH3+])[C@@H]1C[C@@H]1C 306409067 345268249 /nfs/dbraw/zinc/26/82/49/345268249.db2.gz LIQCPFCUVLOTAA-RNJXMRFFSA-N 1 3 142.246 0.709 10 0 ACAEHO CC[C@](N)(C[NH3+])[C@H]1C[C@H]1C 306409064 345268606 /nfs/dbraw/zinc/26/86/06/345268606.db2.gz LIQCPFCUVLOTAA-CSMHCCOUSA-N 1 3 142.246 0.709 10 0 ACAEHO CC[C@](N)(C[NH3+])[C@@H]1C[C@H]1C 306409066 345268615 /nfs/dbraw/zinc/26/86/15/345268615.db2.gz LIQCPFCUVLOTAA-PRJMDXOYSA-N 1 3 142.246 0.709 10 0 ACAEHO CC[C@](N)(C[NH3+])[C@H]1C[C@@H]1C 306409065 345268654 /nfs/dbraw/zinc/26/86/54/345268654.db2.gz LIQCPFCUVLOTAA-FXQIFTODSA-N 1 3 142.246 0.709 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 306412377 345271603 /nfs/dbraw/zinc/27/16/03/345271603.db2.gz ZZYLQHSFKBUUFH-AEJSXWLSSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 306412377 345271605 /nfs/dbraw/zinc/27/16/05/345271605.db2.gz ZZYLQHSFKBUUFH-AEJSXWLSSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 306412379 345271651 /nfs/dbraw/zinc/27/16/51/345271651.db2.gz ZZYLQHSFKBUUFH-GUBZILKMSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@](C)(O)C1 306412379 345271653 /nfs/dbraw/zinc/27/16/53/345271653.db2.gz ZZYLQHSFKBUUFH-GUBZILKMSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 306412383 345271693 /nfs/dbraw/zinc/27/16/93/345271693.db2.gz ZZYLQHSFKBUUFH-LPEHRKFASA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 306412383 345271695 /nfs/dbraw/zinc/27/16/95/345271695.db2.gz ZZYLQHSFKBUUFH-LPEHRKFASA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 306412381 345271734 /nfs/dbraw/zinc/27/17/34/345271734.db2.gz ZZYLQHSFKBUUFH-IVZWLZJFSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 306412381 345271735 /nfs/dbraw/zinc/27/17/35/345271735.db2.gz ZZYLQHSFKBUUFH-IVZWLZJFSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@@H+]1CC(C)(C)N 306415155 345273054 /nfs/dbraw/zinc/27/30/54/345273054.db2.gz PJPPRJHUKMZJLB-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@H+]1CC(C)(C)N 306415155 345273057 /nfs/dbraw/zinc/27/30/57/345273057.db2.gz PJPPRJHUKMZJLB-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H]1C 306414938 345273074 /nfs/dbraw/zinc/27/30/74/345273074.db2.gz YGLKBNCGJVTJBT-KVPKETBZSA-N 1 3 142.246 0.720 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H]1C 306414937 345273080 /nfs/dbraw/zinc/27/30/80/345273080.db2.gz YGLKBNCGJVTJBT-DKXJUACHSA-N 1 3 142.246 0.720 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H]1C 306414939 345273247 /nfs/dbraw/zinc/27/32/47/345273247.db2.gz YGLKBNCGJVTJBT-VGRMVHKJSA-N 1 3 142.246 0.720 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H]1C 306414941 345273359 /nfs/dbraw/zinc/27/33/59/345273359.db2.gz YGLKBNCGJVTJBT-XAMCCFCMSA-N 1 3 142.246 0.720 10 0 ACAEHO COC[C@H]1CCCCN1C1CC([NH3+])C1 306417005 345274413 /nfs/dbraw/zinc/27/44/13/345274413.db2.gz XPZZTLGPBKNZTQ-HSOILSAZSA-N 1 3 198.310 0.977 10 0 ACAEHO COC[C@@H]1CCCCN1C1CC([NH3+])C1 306417006 345274457 /nfs/dbraw/zinc/27/44/57/345274457.db2.gz XPZZTLGPBKNZTQ-YVNMAJEFSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H]1CN1CCC1 306425471 345282488 /nfs/dbraw/zinc/28/24/88/345282488.db2.gz OVTCYBSANMKNOH-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+][C@H]1CCC[C@H]1CN1CCC1 306425473 345282494 /nfs/dbraw/zinc/28/24/94/345282494.db2.gz OVTCYBSANMKNOH-IUCAKERBSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H]1CN1CCC1 306425472 345282500 /nfs/dbraw/zinc/28/25/00/345282500.db2.gz OVTCYBSANMKNOH-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H]1CN1CCC1 306425474 345282606 /nfs/dbraw/zinc/28/26/06/345282606.db2.gz OVTCYBSANMKNOH-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(C)OCC[C@H]1[N@@H+]1CCC[C@H](N)C1 306428399 345285673 /nfs/dbraw/zinc/28/56/73/345285673.db2.gz MIYAASUTEXNGNT-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO CC1(C)OCC[C@H]1[N@H+]1CCC[C@H](N)C1 306428399 345285674 /nfs/dbraw/zinc/28/56/74/345285674.db2.gz MIYAASUTEXNGNT-VHSXEESVSA-N 1 3 198.310 0.977 10 0 ACAEHO CC1(C)OCC[C@@H]1[N@@H+]1CCC[C@@H](N)C1 306428400 345285993 /nfs/dbraw/zinc/28/59/93/345285993.db2.gz MIYAASUTEXNGNT-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO CC1(C)OCC[C@@H]1[N@H+]1CCC[C@@H](N)C1 306428400 345285994 /nfs/dbraw/zinc/28/59/94/345285994.db2.gz MIYAASUTEXNGNT-ZJUUUORDSA-N 1 3 198.310 0.977 10 0 ACAEHO CC1(C)OCC[C@H]1[N@@H+]1CCC[C@@H](N)C1 306428397 345286010 /nfs/dbraw/zinc/28/60/10/345286010.db2.gz MIYAASUTEXNGNT-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO CC1(C)OCC[C@H]1[N@H+]1CCC[C@@H](N)C1 306428397 345286012 /nfs/dbraw/zinc/28/60/12/345286012.db2.gz MIYAASUTEXNGNT-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO CC1(C)OCC[C@@H]1[N@H+]1CCC[C@H](N)C1 306428398 345286092 /nfs/dbraw/zinc/28/60/92/345286092.db2.gz MIYAASUTEXNGNT-UWVGGRQHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1CC[C@@H]1N1CC[C@H]([NH3+])C1 306430251 345288605 /nfs/dbraw/zinc/28/86/05/345288605.db2.gz SUOVXLZMHMVIBI-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CC[C@@H]1N1CC[C@@H]([NH3+])C1 306430248 345288785 /nfs/dbraw/zinc/28/87/85/345288785.db2.gz SUOVXLZMHMVIBI-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CC[C@H]1N1CC[C@H]([NH3+])C1 306430249 345288807 /nfs/dbraw/zinc/28/88/07/345288807.db2.gz SUOVXLZMHMVIBI-HRDYMLBCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CC[C@H]1N1CC[C@@H]([NH3+])C1 306430250 345288964 /nfs/dbraw/zinc/28/89/64/345288964.db2.gz SUOVXLZMHMVIBI-IWSPIJDZSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1C1CCOCC1 306437921 345298193 /nfs/dbraw/zinc/29/81/93/345298193.db2.gz HQQQMHXWQOBNKN-SCZZXKLOSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1[C@@H]([NH3+])CCN1C1CCOCC1 306437936 345298528 /nfs/dbraw/zinc/29/85/28/345298528.db2.gz HQQQMHXWQOBNKN-WPRPVWTQSA-N 1 3 184.283 0.587 10 0 ACAEHO CN1CC[C@H](N(C)C2(C[NH3+])CC2)C1 306438846 345298947 /nfs/dbraw/zinc/29/89/47/345298947.db2.gz MVXFNCHXHFEDMA-VIFPVBQESA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@@H](N(C)C2(C[NH3+])CC2)C1 306438844 345298982 /nfs/dbraw/zinc/29/89/82/345298982.db2.gz MVXFNCHXHFEDMA-SECBINFHSA-N 1 3 183.299 0.114 10 0 ACAEHO F[C@@]1([C@@H]2C=CC[NH2+]2)CCNC1 306441306 345301914 /nfs/dbraw/zinc/30/19/14/345301914.db2.gz OKESAURZHUCUAY-YUMQZZPRSA-N 1 3 156.204 0.216 10 0 ACAEHO F[C@]1([C@H]2C=CC[NH2+]2)CCNC1 306441303 345302044 /nfs/dbraw/zinc/30/20/44/345302044.db2.gz OKESAURZHUCUAY-HTQZYQBOSA-N 1 3 156.204 0.216 10 0 ACAEHO F[C@@]1([C@H]2C=CC[NH2+]2)CCNC1 306441305 345302058 /nfs/dbraw/zinc/30/20/58/345302058.db2.gz OKESAURZHUCUAY-SFYZADRCSA-N 1 3 156.204 0.216 10 0 ACAEHO F[C@]1([C@@H]2C=CC[NH2+]2)CCNC1 306441304 345302201 /nfs/dbraw/zinc/30/22/01/345302201.db2.gz OKESAURZHUCUAY-JGVFFNPUSA-N 1 3 156.204 0.216 10 0 ACAEHO CN[C@@H]1[C@H](C[NH+](C)C)COC1(C)C 306443299 345303757 /nfs/dbraw/zinc/30/37/57/345303757.db2.gz QGJKQNHNSVHUKS-RKDXNWHRSA-N 1 3 186.299 0.561 10 0 ACAEHO CN[C@H]1[C@H](C[NH+](C)C)COC1(C)C 306443296 345303948 /nfs/dbraw/zinc/30/39/48/345303948.db2.gz QGJKQNHNSVHUKS-BDAKNGLRSA-N 1 3 186.299 0.561 10 0 ACAEHO CC(C)([NH3+])CCN1CCC1 306478923 345345777 /nfs/dbraw/zinc/34/57/77/345345777.db2.gz DRMLMILLZWRKCR-UHFFFAOYSA-N 1 3 142.246 0.820 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCSC1 306456004 345315287 /nfs/dbraw/zinc/31/52/87/345315287.db2.gz RHACUEMCHFHMRE-BIIVOSGPSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCSC1 306456005 345315306 /nfs/dbraw/zinc/31/53/06/345315306.db2.gz RHACUEMCHFHMRE-FXQIFTODSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@H]1CCSC1 306456006 345315598 /nfs/dbraw/zinc/31/55/98/345315598.db2.gz RHACUEMCHFHMRE-RNJXMRFFSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@@H]1CCSC1 306456007 345315698 /nfs/dbraw/zinc/31/56/98/345315698.db2.gz RHACUEMCHFHMRE-XLPZGREQSA-N 1 3 174.313 0.817 10 0 ACAEHO CC[C@H](C)[NH2+][C@@H]1CNC[C@H]1C 306468130 345329012 /nfs/dbraw/zinc/32/90/12/345329012.db2.gz NEEZAEKHQRIXCT-HRDYMLBCSA-N 1 3 156.273 0.982 10 0 ACAEHO CC[C@H](C)[NH2+][C@H]1CNC[C@@H]1C 306468129 345329055 /nfs/dbraw/zinc/32/90/55/345329055.db2.gz NEEZAEKHQRIXCT-CIUDSAMLSA-N 1 3 156.273 0.982 10 0 ACAEHO CC[C@H](C)[NH2+][C@@H]1CNC[C@@H]1C 306468132 345329665 /nfs/dbraw/zinc/32/96/65/345329665.db2.gz NEEZAEKHQRIXCT-XHNCKOQMSA-N 1 3 156.273 0.982 10 0 ACAEHO CC[C@H](C)[NH2+][C@H]1CNC[C@H]1C 306468131 345329981 /nfs/dbraw/zinc/32/99/81/345329981.db2.gz NEEZAEKHQRIXCT-VGMNWLOBSA-N 1 3 156.273 0.982 10 0 ACAEHO CC1CN(CC2(C[NH3+])CC2)C1 306469007 345331305 /nfs/dbraw/zinc/33/13/05/345331305.db2.gz TVPSDZNJIQXSFD-UHFFFAOYSA-N 1 3 154.257 0.677 10 0 ACAEHO CC1C[NH+](CC2(CN)CC2)C1 306469007 345331306 /nfs/dbraw/zinc/33/13/06/345331306.db2.gz TVPSDZNJIQXSFD-UHFFFAOYSA-N 1 3 154.257 0.677 10 0 ACAEHO C1CNC([C@@H]2CCCNC2)=[NH+]C1 306469583 345332548 /nfs/dbraw/zinc/33/25/48/345332548.db2.gz POUAJHSYJWJILN-MRVPVSSYSA-N 1 3 167.256 0.378 10 0 ACAEHO C1CNC([C@H]2CCCNC2)=[NH+]C1 306469584 345332551 /nfs/dbraw/zinc/33/25/51/345332551.db2.gz POUAJHSYJWJILN-QMMMGPOBSA-N 1 3 167.256 0.378 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCS[C@@H]1C 306470162 345332806 /nfs/dbraw/zinc/33/28/06/345332806.db2.gz XBSUOWMUDYBOQR-BWZBUEFSSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@@H]1SCC[C@H]1N[C@H](C)C[NH3+] 306470166 345332795 /nfs/dbraw/zinc/33/27/95/345332795.db2.gz XBSUOWMUDYBOQR-GJMOJQLCSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@@H]1SCC[C@@H]1N[C@H](C)C[NH3+] 306470165 345332859 /nfs/dbraw/zinc/33/28/59/345332859.db2.gz XBSUOWMUDYBOQR-CSMHCCOUSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCS[C@@H]1C 306470168 345332897 /nfs/dbraw/zinc/33/28/97/345332897.db2.gz XBSUOWMUDYBOQR-PRJMDXOYSA-N 1 3 174.313 0.817 10 0 ACAEHO CN1C[C@H]2CCC[C@@]2(C[NH3+])C1 306471381 345334724 /nfs/dbraw/zinc/33/47/24/345334724.db2.gz RQJAPKWQZWVBOC-RKDXNWHRSA-N 1 3 154.257 0.677 10 0 ACAEHO CN1C[C@@H]2CCC[C@@]2(C[NH3+])C1 306471222 345334780 /nfs/dbraw/zinc/33/47/80/345334780.db2.gz RQJAPKWQZWVBOC-DTWKUNHWSA-N 1 3 154.257 0.677 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@@H]1[NH3+] 306474010 345338066 /nfs/dbraw/zinc/33/80/66/345338066.db2.gz VGZGLYFKMSFWHJ-IMSYWVGJSA-N 1 3 168.284 0.921 10 0 ACAEHO C[C@H]1C[C@H]1CN1C[C@@H](C)[C@@H]([NH3+])C1 306474011 345338188 /nfs/dbraw/zinc/33/81/88/345338188.db2.gz VGZGLYFKMSFWHJ-JXUBOQSCSA-N 1 3 168.284 0.921 10 0 ACAEHO Cn1ccnc1NC[C@@H]([NH3+])C1CCC1 306475169 345339924 /nfs/dbraw/zinc/33/99/24/345339924.db2.gz WWAHCFAZEPSHGM-SECBINFHSA-N 1 3 194.282 0.959 10 0 ACAEHO CO[C@H]1C[C@H](C[NH3+])N(C2CCCC2)C1 306476117 345341318 /nfs/dbraw/zinc/34/13/18/345341318.db2.gz XQZWHGGPNPGPGP-MNOVXSKESA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1C[C@@H](C[NH3+])N(C2CCCC2)C1 306476119 345341380 /nfs/dbraw/zinc/34/13/80/345341380.db2.gz XQZWHGGPNPGPGP-WDEREUQCSA-N 1 3 198.310 0.977 10 0 ACAEHO CO[C@@H]1C[C@H](C[NH3+])N(C2CCCC2)C1 306476116 345341406 /nfs/dbraw/zinc/34/14/06/345341406.db2.gz XQZWHGGPNPGPGP-GHMZBOCLSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]C1(C2=NCCN2)CCCC1 306476927 345342734 /nfs/dbraw/zinc/34/27/34/345342734.db2.gz YOGSUKJLBRLPNR-UHFFFAOYSA-N 1 3 153.229 0.260 10 0 ACAEHO C1=CC[NH+](CC[C@H]2CNCCO2)C1 306480354 345348620 /nfs/dbraw/zinc/34/86/20/345348620.db2.gz BXIXOQQDAJQTNZ-JTQLQIEISA-N 1 3 182.267 0.237 10 0 ACAEHO C1=CC[NH+](CC[C@@H]2CNCCO2)C1 306480356 345348795 /nfs/dbraw/zinc/34/87/95/345348795.db2.gz BXIXOQQDAJQTNZ-SNVBAGLBSA-N 1 3 182.267 0.237 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NC1CC1 306481726 345350172 /nfs/dbraw/zinc/35/01/72/345350172.db2.gz LEVCTKMTUNHKAV-WDSKDSINSA-N 1 3 128.219 0.474 10 0 ACAEHO C[C@H](NC1CC1)[C@@H](C)[NH3+] 306481725 345350221 /nfs/dbraw/zinc/35/02/21/345350221.db2.gz LEVCTKMTUNHKAV-RITPCOANSA-N 1 3 128.219 0.474 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)NC1CC1 306481723 345350317 /nfs/dbraw/zinc/35/03/17/345350317.db2.gz LEVCTKMTUNHKAV-PHDIDXHHSA-N 1 3 128.219 0.474 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NC1CC1 306481722 345350352 /nfs/dbraw/zinc/35/03/52/345350352.db2.gz LEVCTKMTUNHKAV-NTSWFWBYSA-N 1 3 128.219 0.474 10 0 ACAEHO C[C@@H]1C[C@@H]1[C@](C)(N)C[NH3+] 306481988 345350417 /nfs/dbraw/zinc/35/04/17/345350417.db2.gz KJZOWNCVVYJAEY-DSYKOEDSSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1C[C@H]1[C@@](C)(N)C[NH3+] 306481991 345350497 /nfs/dbraw/zinc/35/04/97/345350497.db2.gz KJZOWNCVVYJAEY-QYNIQEEDSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1C[C@H]1[C@](C)(N)C[NH3+] 306481990 345350548 /nfs/dbraw/zinc/35/05/48/345350548.db2.gz KJZOWNCVVYJAEY-FSDSQADBSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1C[C@@H]1[C@@](C)(N)C[NH3+] 306481993 345350624 /nfs/dbraw/zinc/35/06/24/345350624.db2.gz KJZOWNCVVYJAEY-VQVTYTSYSA-N 1 3 128.219 0.319 10 0 ACAEHO CC(C)([NH3+])[C@H](O)[C@H]1CCCCCN1 306484361 345353525 /nfs/dbraw/zinc/35/35/25/345353525.db2.gz PZXXJKODFOMOPZ-RKDXNWHRSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(N)[C@H](O)[C@@H]1CCCCC[NH2+]1 306484359 345353300 /nfs/dbraw/zinc/35/33/00/345353300.db2.gz PZXXJKODFOMOPZ-DTWKUNHWSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)([NH3+])[C@H](O)[C@@H]1CCCCCN1 306484359 345353304 /nfs/dbraw/zinc/35/33/04/345353304.db2.gz PZXXJKODFOMOPZ-DTWKUNHWSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(N)[C@@H](O)[C@H]1CCCCC[NH2+]1 306484358 345353456 /nfs/dbraw/zinc/35/34/56/345353456.db2.gz PZXXJKODFOMOPZ-BDAKNGLRSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)([NH3+])[C@@H](O)[C@H]1CCCCCN1 306484358 345353457 /nfs/dbraw/zinc/35/34/57/345353457.db2.gz PZXXJKODFOMOPZ-BDAKNGLRSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(N)[C@H](O)[C@H]1CCCCC[NH2+]1 306484361 345353520 /nfs/dbraw/zinc/35/35/20/345353520.db2.gz PZXXJKODFOMOPZ-RKDXNWHRSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)(N)[C@@H](O)[C@@H]1CCCCC[NH2+]1 306484360 345353560 /nfs/dbraw/zinc/35/35/60/345353560.db2.gz PZXXJKODFOMOPZ-IUCAKERBSA-N 1 3 186.299 0.617 10 0 ACAEHO CC(C)([NH3+])[C@@H](O)[C@@H]1CCCCCN1 306484360 345353564 /nfs/dbraw/zinc/35/35/64/345353564.db2.gz PZXXJKODFOMOPZ-IUCAKERBSA-N 1 3 186.299 0.617 10 0 ACAEHO NC[C@@H](O)C[N@@H+]1CC2CCC1CC2 306490255 345361808 /nfs/dbraw/zinc/36/18/08/345361808.db2.gz YQHIIQFFRVXKAN-UDNWOFFPSA-N 1 3 184.283 0.180 10 0 ACAEHO NC[C@@H](O)C[N@H+]1CC2CCC1CC2 306490255 345361812 /nfs/dbraw/zinc/36/18/12/345361812.db2.gz YQHIIQFFRVXKAN-UDNWOFFPSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C[C@@H](O)CN1CC2CCC1CC2 306490255 345361816 /nfs/dbraw/zinc/36/18/16/345361816.db2.gz YQHIIQFFRVXKAN-UDNWOFFPSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@@](O)(CN)C[N@@H+]1CC2CCC1CC2 306492523 345365321 /nfs/dbraw/zinc/36/53/21/345365321.db2.gz PZHYLGCBUBNFBQ-VQXHTEKXSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@@](O)(CN)C[N@H+]1CC2CCC1CC2 306492523 345365322 /nfs/dbraw/zinc/36/53/22/345365322.db2.gz PZHYLGCBUBNFBQ-VQXHTEKXSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@](O)(CN)C[N@@H+]1CC2CCC1CC2 306492522 345365370 /nfs/dbraw/zinc/36/53/70/345365370.db2.gz PZHYLGCBUBNFBQ-ILDUYXDCSA-N 1 3 198.310 0.571 10 0 ACAEHO C[C@](O)(CN)C[N@H+]1CC2CCC1CC2 306492522 345365371 /nfs/dbraw/zinc/36/53/71/345365371.db2.gz PZHYLGCBUBNFBQ-ILDUYXDCSA-N 1 3 198.310 0.571 10 0 ACAEHO O[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 306499909 345373260 /nfs/dbraw/zinc/37/32/60/345373260.db2.gz LHMZPHKOQSZRES-UWVGGRQHSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@H]1CCC[C@@H]1NC1CC[NH2+]CC1 306499909 345373261 /nfs/dbraw/zinc/37/32/61/345373261.db2.gz LHMZPHKOQSZRES-UWVGGRQHSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 306499911 345373283 /nfs/dbraw/zinc/37/32/83/345373283.db2.gz LHMZPHKOQSZRES-ZJUUUORDSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@H]1CCC[C@H]1NC1CC[NH2+]CC1 306499911 345373284 /nfs/dbraw/zinc/37/32/84/345373284.db2.gz LHMZPHKOQSZRES-ZJUUUORDSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 306499910 345373568 /nfs/dbraw/zinc/37/35/68/345373568.db2.gz LHMZPHKOQSZRES-VHSXEESVSA-N 1 3 184.283 0.241 10 0 ACAEHO O[C@@H]1CCC[C@@H]1NC1CC[NH2+]CC1 306499910 345373571 /nfs/dbraw/zinc/37/35/71/345373571.db2.gz LHMZPHKOQSZRES-VHSXEESVSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H]1[C@@H](O)CCCN1CCC[NH3+] 306537545 345410434 /nfs/dbraw/zinc/41/04/34/345410434.db2.gz IUXQJKCRKNNRIP-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](C[C@H]1CCC[NH2+]1)N1CC[C@H](O)C1 306513539 345384155 /nfs/dbraw/zinc/38/41/55/345384155.db2.gz APGBPNGRJZULHY-MXWKQRLJSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H](C[C@@H]1CCC[NH2+]1)N1CC[C@H](O)C1 306513544 345384255 /nfs/dbraw/zinc/38/42/55/345384255.db2.gz APGBPNGRJZULHY-VWYCJHECSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H](C[C@@H]1CCC[NH2+]1)N1CC[C@@H](O)C1 306513541 345384312 /nfs/dbraw/zinc/38/43/12/345384312.db2.gz APGBPNGRJZULHY-OUAUKWLOSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H](C[C@H]1CCC[NH2+]1)N1CC[C@@H](O)C1 306513537 345384402 /nfs/dbraw/zinc/38/44/02/345384402.db2.gz APGBPNGRJZULHY-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@@H](O)C1(C)C 306515221 345385716 /nfs/dbraw/zinc/38/57/16/345385716.db2.gz VVBQAMQAWPLWDL-XHNCKOQMSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@H](O)C1(C)C 306515219 345385940 /nfs/dbraw/zinc/38/59/40/345385940.db2.gz VVBQAMQAWPLWDL-CIUDSAMLSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1CC[C@@H](O)C1(C)C 306515220 345385965 /nfs/dbraw/zinc/38/59/65/345385965.db2.gz VVBQAMQAWPLWDL-DJLDLDEBSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1CC[C@H](O)C1(C)C 306515222 345386012 /nfs/dbraw/zinc/38/60/12/345386012.db2.gz VVBQAMQAWPLWDL-YIZRAAEISA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]1CC[C@H]1[NH2+]C1CC(N)C1 306554150 345429763 /nfs/dbraw/zinc/42/97/63/345429763.db2.gz CACRJUJLADQQNG-DFAZKQQPSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@H]1CCN1 306520972 345392317 /nfs/dbraw/zinc/39/23/17/345392317.db2.gz LWXGWGQZTSZSJY-AEJSXWLSSA-N 1 3 184.283 0.505 10 0 ACAEHO CC1CN([C@@H](C)[C@H]2CC[NH2+]C2)C1 306521079 345392323 /nfs/dbraw/zinc/39/23/23/345392323.db2.gz FNJHTUJKRZESQS-UWVGGRQHSA-N 1 3 168.284 0.936 10 0 ACAEHO CCC[N@@H+]1C[C@H]2CCNC[C@@H]2C1 306521151 345392388 /nfs/dbraw/zinc/39/23/88/345392388.db2.gz FSBXRUOQAIVOBQ-NXEZZACHSA-N 1 3 168.284 0.938 10 0 ACAEHO CCC[N@H+]1C[C@H]2CCNC[C@@H]2C1 306521151 345392389 /nfs/dbraw/zinc/39/23/89/345392389.db2.gz FSBXRUOQAIVOBQ-NXEZZACHSA-N 1 3 168.284 0.938 10 0 ACAEHO CC1CN([C@H](C)[C@@H]2CC[NH2+]C2)C1 306521076 345392410 /nfs/dbraw/zinc/39/24/10/345392410.db2.gz FNJHTUJKRZESQS-NXEZZACHSA-N 1 3 168.284 0.936 10 0 ACAEHO CSC(C)(C)C[C@@H](N)C[NH3+] 306520934 345392473 /nfs/dbraw/zinc/39/24/73/345392473.db2.gz LVUNDFVVJLIJOR-ZCFIWIBFSA-N 1 3 162.302 0.804 10 0 ACAEHO CCC[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 306521155 345392500 /nfs/dbraw/zinc/39/25/00/345392500.db2.gz FSBXRUOQAIVOBQ-VHSXEESVSA-N 1 3 168.284 0.938 10 0 ACAEHO CCC[N@H+]1C[C@@H]2CCNC[C@@H]2C1 306521155 345392502 /nfs/dbraw/zinc/39/25/02/345392502.db2.gz FSBXRUOQAIVOBQ-VHSXEESVSA-N 1 3 168.284 0.938 10 0 ACAEHO CC1CN([C@H](C)[C@H]2CC[NH2+]C2)C1 306521082 345392509 /nfs/dbraw/zinc/39/25/09/345392509.db2.gz FNJHTUJKRZESQS-ZJUUUORDSA-N 1 3 168.284 0.936 10 0 ACAEHO CCC[N@H+]1C[C@@H]2CNCC[C@H]2C1 306521153 345392532 /nfs/dbraw/zinc/39/25/32/345392532.db2.gz FSBXRUOQAIVOBQ-UWVGGRQHSA-N 1 3 168.284 0.938 10 0 ACAEHO CCC[N@@H+]1C[C@@H]2CNCC[C@H]2C1 306521153 345392534 /nfs/dbraw/zinc/39/25/34/345392534.db2.gz FSBXRUOQAIVOBQ-UWVGGRQHSA-N 1 3 168.284 0.938 10 0 ACAEHO CSC(C)(C)C[C@H](N)C[NH3+] 306520933 345392553 /nfs/dbraw/zinc/39/25/53/345392553.db2.gz LVUNDFVVJLIJOR-LURJTMIESA-N 1 3 162.302 0.804 10 0 ACAEHO C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H]1CCN1 306520974 345392567 /nfs/dbraw/zinc/39/25/67/345392567.db2.gz LWXGWGQZTSZSJY-GUBZILKMSA-N 1 3 184.283 0.505 10 0 ACAEHO CC1CN([C@@H](C)[C@@H]2CC[NH2+]C2)C1 306521080 345392619 /nfs/dbraw/zinc/39/26/19/345392619.db2.gz FNJHTUJKRZESQS-VHSXEESVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CCN1 306520978 345392632 /nfs/dbraw/zinc/39/26/32/345392632.db2.gz LWXGWGQZTSZSJY-LPEHRKFASA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@H]1CCN1 306520976 345392690 /nfs/dbraw/zinc/39/26/90/345392690.db2.gz LWXGWGQZTSZSJY-IVZWLZJFSA-N 1 3 184.283 0.505 10 0 ACAEHO CCN1CCN(C[C@@H]2CC[NH2+]2)C[C@H]1C 306522446 345394332 /nfs/dbraw/zinc/39/43/32/345394332.db2.gz PXNSJFQQXKVNHF-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN(C[C@H]2CC[NH2+]2)C[C@H]1C 306522445 345394369 /nfs/dbraw/zinc/39/43/69/345394369.db2.gz PXNSJFQQXKVNHF-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN(C[C@@H]2CC[NH2+]2)C[C@@H]1C 306522447 345394494 /nfs/dbraw/zinc/39/44/94/345394494.db2.gz PXNSJFQQXKVNHF-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO CCN1CCN(C[C@H]2CC[NH2+]2)C[C@@H]1C 306522448 345394532 /nfs/dbraw/zinc/39/45/32/345394532.db2.gz PXNSJFQQXKVNHF-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CC1(C)[C@H](O)CC[N@@H+]1C1CC(N)C1 306523014 345395074 /nfs/dbraw/zinc/39/50/74/345395074.db2.gz MVKBSSYSBNEQEK-AMDVSUOASA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(C)[C@H](O)CC[N@H+]1C1CC(N)C1 306523014 345395076 /nfs/dbraw/zinc/39/50/76/345395076.db2.gz MVKBSSYSBNEQEK-AMDVSUOASA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(C)[C@H](O)CCN1C1CC([NH3+])C1 306523014 345395078 /nfs/dbraw/zinc/39/50/78/345395078.db2.gz MVKBSSYSBNEQEK-AMDVSUOASA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(C)[C@@H](O)CC[N@@H+]1C1CC(N)C1 306523015 345395127 /nfs/dbraw/zinc/39/51/27/345395127.db2.gz MVKBSSYSBNEQEK-HACHORDNSA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(C)[C@@H](O)CC[N@H+]1C1CC(N)C1 306523015 345395130 /nfs/dbraw/zinc/39/51/30/345395130.db2.gz MVKBSSYSBNEQEK-HACHORDNSA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(C)[C@@H](O)CCN1C1CC([NH3+])C1 306523015 345395131 /nfs/dbraw/zinc/39/51/31/345395131.db2.gz MVKBSSYSBNEQEK-HACHORDNSA-N 1 3 184.283 0.321 10 0 ACAEHO CN1CCC[C@H](N(C)C[C@@H]2CC[NH2+]2)C1 306523693 345396004 /nfs/dbraw/zinc/39/60/04/345396004.db2.gz UOFDNMDWKXYKNB-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@@H](N(C)C[C@@H]2CC[NH2+]2)C1 306523694 345396218 /nfs/dbraw/zinc/39/62/18/345396218.db2.gz UOFDNMDWKXYKNB-WDEREUQCSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@@H](N(C)C[C@H]2CC[NH2+]2)C1 306523691 345396294 /nfs/dbraw/zinc/39/62/94/345396294.db2.gz UOFDNMDWKXYKNB-GHMZBOCLSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@H](N(C)C[C@H]2CC[NH2+]2)C1 306523692 345396309 /nfs/dbraw/zinc/39/63/09/345396309.db2.gz UOFDNMDWKXYKNB-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1C[C@@H](N(C)C2CC([NH3+])C2)CCO1 306533680 345406450 /nfs/dbraw/zinc/40/64/50/345406450.db2.gz CYCIWJUVWSLLBR-VKAADOFISA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@H]1C[C@H](N(C)C2CC([NH3+])C2)CCO1 306533679 345406497 /nfs/dbraw/zinc/40/64/97/345406497.db2.gz CYCIWJUVWSLLBR-QPBDYMMBSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@H]1C[C@@H](N(C)C2CC([NH3+])C2)CCO1 306533681 345406588 /nfs/dbraw/zinc/40/65/88/345406588.db2.gz CYCIWJUVWSLLBR-XEAZBWPWSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1C[C@H](N(C)C2CC([NH3+])C2)CCO1 306533678 345406649 /nfs/dbraw/zinc/40/66/49/345406649.db2.gz CYCIWJUVWSLLBR-BZCXBAJXSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@H]1[C@H](O)CCCN1CCC[NH3+] 306537543 345410403 /nfs/dbraw/zinc/41/04/03/345410403.db2.gz IUXQJKCRKNNRIP-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1[C@H](O)CCCN1CCC[NH3+] 306537548 345410460 /nfs/dbraw/zinc/41/04/60/345410460.db2.gz IUXQJKCRKNNRIP-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1[C@@H](O)CCCN1CCC[NH3+] 306537541 345410565 /nfs/dbraw/zinc/41/05/65/345410565.db2.gz IUXQJKCRKNNRIP-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@@]2(CN)C1 306547328 345422019 /nfs/dbraw/zinc/42/20/19/345422019.db2.gz CCOHWIOWMWVNSD-OUAUKWLOSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@@H]2CCC[C@@]2(CN)C1 306547328 345422021 /nfs/dbraw/zinc/42/20/21/345422021.db2.gz CCOHWIOWMWVNSD-OUAUKWLOSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 306547329 345422177 /nfs/dbraw/zinc/42/21/77/345422177.db2.gz CCOHWIOWMWVNSD-VWYCJHECSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 306547329 345422178 /nfs/dbraw/zinc/42/21/78/345422178.db2.gz CCOHWIOWMWVNSD-VWYCJHECSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@H]2CCC[C@@]2(CN)C1 306547325 345422194 /nfs/dbraw/zinc/42/21/94/345422194.db2.gz CCOHWIOWMWVNSD-GMTAPVOTSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@H]2CCC[C@@]2(CN)C1 306547325 345422196 /nfs/dbraw/zinc/42/21/96/345422196.db2.gz CCOHWIOWMWVNSD-GMTAPVOTSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@H]2CCC[C@]2(CN)C1 306547326 345422256 /nfs/dbraw/zinc/42/22/56/345422256.db2.gz CCOHWIOWMWVNSD-MXWKQRLJSA-N 1 3 198.310 0.428 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@H]2CCC[C@]2(CN)C1 306547326 345422258 /nfs/dbraw/zinc/42/22/58/345422258.db2.gz CCOHWIOWMWVNSD-MXWKQRLJSA-N 1 3 198.310 0.428 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CCC[C@]12CCOC2 306548182 345422981 /nfs/dbraw/zinc/42/29/81/345422981.db2.gz CNTJLJUQRJCBAH-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CCC[C@]12CCOC2 306548182 345422989 /nfs/dbraw/zinc/42/29/89/345422989.db2.gz CNTJLJUQRJCBAH-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CCC[C@@]12CCOC2 306548185 345423154 /nfs/dbraw/zinc/42/31/54/345423154.db2.gz CNTJLJUQRJCBAH-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CCC[C@@]12CCOC2 306548185 345423158 /nfs/dbraw/zinc/42/31/58/345423158.db2.gz CNTJLJUQRJCBAH-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N2CC=CC2)C1 306552317 345428293 /nfs/dbraw/zinc/42/82/93/345428293.db2.gz KLEWRTXWBPERFA-DTWKUNHWSA-N 1 3 152.241 0.738 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CC=CC2)C1 306552318 345428088 /nfs/dbraw/zinc/42/80/88/345428088.db2.gz KLEWRTXWBPERFA-IUCAKERBSA-N 1 3 152.241 0.738 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CC=CC2)C1 306552319 345428095 /nfs/dbraw/zinc/42/80/95/345428095.db2.gz KLEWRTXWBPERFA-RKDXNWHRSA-N 1 3 152.241 0.738 10 0 ACAEHO C[C@@H]1CC[C@@H]1[NH2+]C1CC(N)C1 306554151 345429583 /nfs/dbraw/zinc/42/95/83/345429583.db2.gz CACRJUJLADQQNG-KHONBHQKSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@@H]1CC[C@@H]1NC1CC([NH3+])C1 306554151 345429586 /nfs/dbraw/zinc/42/95/86/345429586.db2.gz CACRJUJLADQQNG-KHONBHQKSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@@H]1CC[C@H]1[NH2+]C1CC(N)C1 306554153 345429720 /nfs/dbraw/zinc/42/97/20/345429720.db2.gz CACRJUJLADQQNG-MDVIFZSFSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@@H]1CC[C@H]1NC1CC([NH3+])C1 306554153 345429722 /nfs/dbraw/zinc/42/97/22/345429722.db2.gz CACRJUJLADQQNG-MDVIFZSFSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@H]1CC[C@@H]1[NH2+]C1CC(N)C1 306554152 345429746 /nfs/dbraw/zinc/42/97/46/345429746.db2.gz CACRJUJLADQQNG-KRTGUUSXSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@H]1CC[C@@H]1NC1CC([NH3+])C1 306554152 345429748 /nfs/dbraw/zinc/42/97/48/345429748.db2.gz CACRJUJLADQQNG-KRTGUUSXSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@H]1CC[C@H]1NC1CC([NH3+])C1 306554150 345429765 /nfs/dbraw/zinc/42/97/65/345429765.db2.gz CACRJUJLADQQNG-DFAZKQQPSA-N 1 3 154.257 0.864 10 0 ACAEHO Cc1ccc(NC(CN)C[NH3+])nc1 306557448 345432918 /nfs/dbraw/zinc/43/29/18/345432918.db2.gz JBSCVPPHEQLVNZ-UHFFFAOYSA-N 1 3 180.255 0.088 10 0 ACAEHO C[C@@H]1CCN1[C@H]1CC[C@H]([NH3+])C1 306558696 345434437 /nfs/dbraw/zinc/43/44/37/345434437.db2.gz PNWYDWHCVVGFHJ-VGMNWLOBSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CCN1[C@@H]1CC[C@@H]([NH3+])C1 306558695 345434460 /nfs/dbraw/zinc/43/44/60/345434460.db2.gz PNWYDWHCVVGFHJ-IWSPIJDZSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CCN1[C@H]1CC[C@@H]([NH3+])C1 306558693 345434736 /nfs/dbraw/zinc/43/47/36/345434736.db2.gz PNWYDWHCVVGFHJ-HLTSFMKQSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CCN1[C@@H]1CC[C@H]([NH3+])C1 306558694 345434773 /nfs/dbraw/zinc/43/47/73/345434773.db2.gz PNWYDWHCVVGFHJ-HRDYMLBCSA-N 1 3 154.257 0.960 10 0 ACAEHO C[NH2+]CC(C)(C)N1CCN2CC[C@H]1C2 306561589 345437634 /nfs/dbraw/zinc/43/76/34/345437634.db2.gz SXDURNWZMLBHAO-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CN(C)C1CN(C[C@H]2CCCC[NH2+]2)C1 306562984 345438715 /nfs/dbraw/zinc/43/87/15/345438715.db2.gz OZABFHMJDTWOOZ-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO CN(C)C1CN(C[C@@H]2CCCC[NH2+]2)C1 306562983 345438750 /nfs/dbraw/zinc/43/87/50/345438750.db2.gz OZABFHMJDTWOOZ-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CSC[C@@H]1N[C@H](C)C[NH3+] 306563838 345439443 /nfs/dbraw/zinc/43/94/43/345439443.db2.gz DKDBQBIAHYQYCJ-PRJMDXOYSA-N 1 3 174.313 0.675 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CSC[C@@H]1C 306563839 345439475 /nfs/dbraw/zinc/43/94/75/345439475.db2.gz DKDBQBIAHYQYCJ-RNJXMRFFSA-N 1 3 174.313 0.675 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CSC[C@@H]1C 306563840 345439572 /nfs/dbraw/zinc/43/95/72/345439572.db2.gz DKDBQBIAHYQYCJ-XLPZGREQSA-N 1 3 174.313 0.675 10 0 ACAEHO C[C@@H]1CSC[C@H]1N[C@H](C)C[NH3+] 306563837 345439655 /nfs/dbraw/zinc/43/96/55/345439655.db2.gz DKDBQBIAHYQYCJ-BWZBUEFSSA-N 1 3 174.313 0.675 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1CN1CC(N(C)C)C1 306568106 345444724 /nfs/dbraw/zinc/44/47/24/345444724.db2.gz UGOKIHNKHPPIRL-VHSXEESVSA-N 1 3 197.326 0.230 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1CN1CC(N(C)C)C1 306568104 345444734 /nfs/dbraw/zinc/44/47/34/345444734.db2.gz UGOKIHNKHPPIRL-UWVGGRQHSA-N 1 3 197.326 0.230 10 0 ACAEHO CN(C)CCNc1[nH+]ccc(N)c1N 306567907 345444767 /nfs/dbraw/zinc/44/47/67/345444767.db2.gz TXALUWZTLWMDQQ-UHFFFAOYSA-N 1 3 195.270 0.220 10 0 ACAEHO C[C@H]1[NH2+]CC[C@H]1CN1CC(N(C)C)C1 306568251 345444804 /nfs/dbraw/zinc/44/48/04/345444804.db2.gz UGOKIHNKHPPIRL-ZJUUUORDSA-N 1 3 197.326 0.230 10 0 ACAEHO C[C@H]1[NH2+]CC[C@@H]1CN1CC(N(C)C)C1 306568103 345444884 /nfs/dbraw/zinc/44/48/84/345444884.db2.gz UGOKIHNKHPPIRL-NXEZZACHSA-N 1 3 197.326 0.230 10 0 ACAEHO CN(C)C1CN([C@H]2CCC[C@@H]2[NH3+])C1 306570215 345446972 /nfs/dbraw/zinc/44/69/72/345446972.db2.gz YFGWYNDZASAEFG-UWVGGRQHSA-N 1 3 183.299 0.112 10 0 ACAEHO CN(C)C1CN([C@@H]2CCC[C@H]2[NH3+])C1 306570214 345447020 /nfs/dbraw/zinc/44/70/20/345447020.db2.gz YFGWYNDZASAEFG-NXEZZACHSA-N 1 3 183.299 0.112 10 0 ACAEHO CN(C)C1CN([C@@H]2CCC[C@@H]2[NH3+])C1 306570216 345447080 /nfs/dbraw/zinc/44/70/80/345447080.db2.gz YFGWYNDZASAEFG-VHSXEESVSA-N 1 3 183.299 0.112 10 0 ACAEHO CN(C)C1CN([C@H]2CCC[C@H]2[NH3+])C1 306570217 345447290 /nfs/dbraw/zinc/44/72/90/345447290.db2.gz YFGWYNDZASAEFG-ZJUUUORDSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1N(C)[C@H]1CCN(C)C1 306570559 345447671 /nfs/dbraw/zinc/44/76/71/345447671.db2.gz YZQWZNQXULWFEG-GARJFASQSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1N(C)[C@@H]1CCN(C)C1 306570560 345447902 /nfs/dbraw/zinc/44/79/02/345447902.db2.gz YZQWZNQXULWFEG-HBNTYKKESA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1N(C)[C@H]1CCN(C)C1 306570558 345448043 /nfs/dbraw/zinc/44/80/43/345448043.db2.gz YZQWZNQXULWFEG-DCAQKATOSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1N(C)[C@@H]1CCN(C)C1 306570557 345448214 /nfs/dbraw/zinc/44/82/14/345448214.db2.gz YZQWZNQXULWFEG-AXFHLTTASA-N 1 3 197.326 0.373 10 0 ACAEHO Cc1ccnc(NC(CN)C[NH3+])c1 306571150 345448634 /nfs/dbraw/zinc/44/86/34/345448634.db2.gz ZYSBDIOIDIPURZ-UHFFFAOYSA-N 1 3 180.255 0.088 10 0 ACAEHO C[C@H]([C@@H]1CC[NH2+]C1)N1C[C@H]2C[C@H]2C1 306573322 345450122 /nfs/dbraw/zinc/45/01/22/345450122.db2.gz HKQYDFQKFFIJDY-DBIOUOCHSA-N 1 3 180.295 0.936 10 0 ACAEHO CC[C@]1(C)C[C@H]1NCC[NH3+] 306573294 345450272 /nfs/dbraw/zinc/45/02/72/345450272.db2.gz HIZLVYHLELXFHV-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]([C@H]1CC[NH2+]C1)N1C[C@H]2C[C@H]2C1 306573324 345450154 /nfs/dbraw/zinc/45/01/54/345450154.db2.gz HKQYDFQKFFIJDY-YTWAJWBKSA-N 1 3 180.295 0.936 10 0 ACAEHO CC[C@@]1(C)C[C@@H]1NCC[NH3+] 306573297 345450262 /nfs/dbraw/zinc/45/02/62/345450262.db2.gz HIZLVYHLELXFHV-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO CC[C@]1(C)C[C@@H]1NCC[NH3+] 306573295 345450268 /nfs/dbraw/zinc/45/02/68/345450268.db2.gz HIZLVYHLELXFHV-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO CC(C)[NH2+]CC1(C)CNC1 306573850 345450676 /nfs/dbraw/zinc/45/06/76/345450676.db2.gz IKMLXRKAWKYYPJ-UHFFFAOYSA-N 1 3 142.246 0.594 10 0 ACAEHO CC(C)NCC1(C)C[NH2+]C1 306573850 345450678 /nfs/dbraw/zinc/45/06/78/345450678.db2.gz IKMLXRKAWKYYPJ-UHFFFAOYSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CS[C@H](C)C1 306575454 345452437 /nfs/dbraw/zinc/45/24/37/345452437.db2.gz JOCBFAGPUBMPCV-BWZBUEFSSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H]1C[C@H](N[C@H](C)C[NH3+])CS1 306575455 345452596 /nfs/dbraw/zinc/45/25/96/345452596.db2.gz JOCBFAGPUBMPCV-CSMHCCOUSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H]1C[C@@H](N[C@H](C)C[NH3+])CS1 306575560 345452809 /nfs/dbraw/zinc/45/28/09/345452809.db2.gz JOCBFAGPUBMPCV-GJMOJQLCSA-N 1 3 174.313 0.817 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CS[C@H](C)C1 306575561 345452900 /nfs/dbraw/zinc/45/29/00/345452900.db2.gz JOCBFAGPUBMPCV-PRJMDXOYSA-N 1 3 174.313 0.817 10 0 ACAEHO C1SCC1N1C[C@H]2C[NH2+]C[C@@H]2C1 306577468 345454727 /nfs/dbraw/zinc/45/47/27/345454727.db2.gz LJRJUPJNZCVQRQ-HTQZYQBOSA-N 1 3 184.308 0.253 10 0 ACAEHO C1SCC1N1C[C@@H]2C[NH2+]C[C@H]2C1 306577472 345454797 /nfs/dbraw/zinc/45/47/97/345454797.db2.gz LJRJUPJNZCVQRQ-YUMQZZPRSA-N 1 3 184.308 0.253 10 0 ACAEHO C1SCC1N1C[C@@H]2C[NH2+]C[C@@H]2C1 306577470 345454918 /nfs/dbraw/zinc/45/49/18/345454918.db2.gz LJRJUPJNZCVQRQ-OCAPTIKFSA-N 1 3 184.308 0.253 10 0 ACAEHO CC1(C)C[C@@H]1[C@](C)(N)C[NH3+] 306578365 345455762 /nfs/dbraw/zinc/45/57/62/345455762.db2.gz MGMRYGZMHVNPDP-POYBYMJQSA-N 1 3 142.246 0.709 10 0 ACAEHO CC1(C)C[C@H]1[C@@](C)(N)C[NH3+] 306578366 345455924 /nfs/dbraw/zinc/45/59/24/345455924.db2.gz MGMRYGZMHVNPDP-SVRRBLITSA-N 1 3 142.246 0.709 10 0 ACAEHO CC1(C)C[C@H]1[C@](C)(N)C[NH3+] 306578363 345456071 /nfs/dbraw/zinc/45/60/71/345456071.db2.gz MGMRYGZMHVNPDP-HTRCEHHLSA-N 1 3 142.246 0.709 10 0 ACAEHO CC1(C)C[C@@H]1[C@@](C)(N)C[NH3+] 306578367 345456087 /nfs/dbraw/zinc/45/60/87/345456087.db2.gz MGMRYGZMHVNPDP-XPUUQOCRSA-N 1 3 142.246 0.709 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1CN 306585558 345462011 /nfs/dbraw/zinc/46/20/11/345462011.db2.gz SLJNLHDTHOFZSJ-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1CN 306585558 345462012 /nfs/dbraw/zinc/46/20/12/345462012.db2.gz SLJNLHDTHOFZSJ-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](C)N(C)C[C@H]1C[NH3+] 306585558 345462014 /nfs/dbraw/zinc/46/20/14/345462014.db2.gz SLJNLHDTHOFZSJ-IWSPIJDZSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1CN 306585129 345462081 /nfs/dbraw/zinc/46/20/81/345462081.db2.gz SLJNLHDTHOFZSJ-HLTSFMKQSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1CN 306585129 345462083 /nfs/dbraw/zinc/46/20/83/345462083.db2.gz SLJNLHDTHOFZSJ-HLTSFMKQSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[C@@H](C)N(C)C[C@@H]1C[NH3+] 306585129 345462084 /nfs/dbraw/zinc/46/20/84/345462084.db2.gz SLJNLHDTHOFZSJ-HLTSFMKQSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@H+]1C 306585559 345462275 /nfs/dbraw/zinc/46/22/75/345462275.db2.gz SLJNLHDTHOFZSJ-VGMNWLOBSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H]1C[C@@H](C)[C@@H](CN)C[N@@H+]1C 306585559 345462280 /nfs/dbraw/zinc/46/22/80/345462280.db2.gz SLJNLHDTHOFZSJ-VGMNWLOBSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H]1C[C@@H](C)[C@@H](C[NH3+])CN1C 306585559 345462282 /nfs/dbraw/zinc/46/22/82/345462282.db2.gz SLJNLHDTHOFZSJ-VGMNWLOBSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H](NC1CC(O)C1)[C@H]1CC[NH2+]C1 306586981 345463840 /nfs/dbraw/zinc/46/38/40/345463840.db2.gz UOJARVSIMSFSFP-DKEVHCRPSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H](NC1CC(O)C1)[C@@H]1CC[NH2+]C1 306586979 345463877 /nfs/dbraw/zinc/46/38/77/345463877.db2.gz UOJARVSIMSFSFP-AFWXGSBKSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@@H](NC1CC(O)C1)[C@@H]1CC[NH2+]C1 306586983 345463937 /nfs/dbraw/zinc/46/39/37/345463937.db2.gz UOJARVSIMSFSFP-LGUIWLBCSA-N 1 3 184.283 0.097 10 0 ACAEHO CC1CC(C[NH3+])(N2CC(N(C)C)C2)C1 306586923 345463968 /nfs/dbraw/zinc/46/39/68/345463968.db2.gz UMEBKLYWBSGZMB-UHFFFAOYSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H](NC1CC(O)C1)[C@H]1CC[NH2+]C1 306586985 345463991 /nfs/dbraw/zinc/46/39/91/345463991.db2.gz UOJARVSIMSFSFP-XHHQTKHESA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@@H](N)[C@H]1C 306597420 345473832 /nfs/dbraw/zinc/47/38/32/345473832.db2.gz OIXCRWOLPOURQB-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@@H](N)[C@H]1C 306597420 345473835 /nfs/dbraw/zinc/47/38/35/345473835.db2.gz OIXCRWOLPOURQB-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@H](N)[C@@H]1C 306597419 345473911 /nfs/dbraw/zinc/47/39/11/345473911.db2.gz OIXCRWOLPOURQB-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@H](N)[C@@H]1C 306597419 345473914 /nfs/dbraw/zinc/47/39/14/345473914.db2.gz OIXCRWOLPOURQB-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@@H](N)[C@@H]1C 306597421 345473988 /nfs/dbraw/zinc/47/39/88/345473988.db2.gz OIXCRWOLPOURQB-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@@H](N)[C@@H]1C 306597421 345473990 /nfs/dbraw/zinc/47/39/90/345473990.db2.gz OIXCRWOLPOURQB-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1CCC[C@H](N)[C@H]1C 306597422 345474007 /nfs/dbraw/zinc/47/40/07/345474007.db2.gz OIXCRWOLPOURQB-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1CCC[C@H](N)[C@H]1C 306597422 345474008 /nfs/dbraw/zinc/47/40/08/345474008.db2.gz OIXCRWOLPOURQB-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO CN(C)C1(CN2CC[C@@H]([NH3+])C2)CC1 306602175 345478061 /nfs/dbraw/zinc/47/80/61/345478061.db2.gz CSEWZVMBXXQOJP-SECBINFHSA-N 1 3 183.299 0.114 10 0 ACAEHO [NH3+]C1(CN2C[C@H]3C[C@H]3C2)CC1 306601298 345477429 /nfs/dbraw/zinc/47/74/29/345477429.db2.gz ULPOVRQNLUYAMQ-OCAPTIKFSA-N 1 3 152.241 0.429 10 0 ACAEHO CN(C)C1(CN2CC[C@H]([NH3+])C2)CC1 306602176 345477929 /nfs/dbraw/zinc/47/79/29/345477929.db2.gz CSEWZVMBXXQOJP-VIFPVBQESA-N 1 3 183.299 0.114 10 0 ACAEHO NCc1cccc(C2=[NH+]CCCN2)c1 306604001 345479608 /nfs/dbraw/zinc/47/96/08/345479608.db2.gz YHAVZLYZRYYMCS-UHFFFAOYSA-N 1 3 189.262 0.885 10 0 ACAEHO C[C@H](O)CN1CC[C@@H]([NH3+])C(C)(C)C1 306604463 345480138 /nfs/dbraw/zinc/48/01/38/345480138.db2.gz OEIYFDPMJNOIFX-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)CN1CC[C@H]([NH3+])C(C)(C)C1 306604464 345480234 /nfs/dbraw/zinc/48/02/34/345480234.db2.gz OEIYFDPMJNOIFX-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO Cn1ccnc1NCC1C[NH2+]C1 306613133 345486791 /nfs/dbraw/zinc/48/67/91/345486791.db2.gz NMIVBWUXXZPHFE-UHFFFAOYSA-N 1 3 166.228 0.051 10 0 ACAEHO C[NH2+]C[C@@H]1C[C@H](C)N(C)C1 306626774 345498219 /nfs/dbraw/zinc/49/82/19/345498219.db2.gz YXYHKIIDWGWDRX-YUMQZZPRSA-N 1 3 142.246 0.546 10 0 ACAEHO CC[C@H](O)C[N@@H+]1CCNC[C@H](C)C1 306626419 345498299 /nfs/dbraw/zinc/49/82/99/345498299.db2.gz HWFKNSSTMTUXSN-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@H](O)C[N@H+]1CCNC[C@H](C)C1 306626419 345498300 /nfs/dbraw/zinc/49/83/00/345498300.db2.gz HWFKNSSTMTUXSN-UWVGGRQHSA-N 1 3 186.299 0.299 10 0 ACAEHO C[NH2+]C[C@H]1C[C@H](C)N(C)C1 306626772 345498312 /nfs/dbraw/zinc/49/83/12/345498312.db2.gz YXYHKIIDWGWDRX-JGVFFNPUSA-N 1 3 142.246 0.546 10 0 ACAEHO C[C@@H]1NCCC[C@]1(O)[C@@H]1CCC[NH2+]1 306627937 345499020 /nfs/dbraw/zinc/49/90/20/345499020.db2.gz ZTRZFVIJAFFBCL-LPEHRKFASA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1NCCC[C@@]1(O)[C@@H]1CCC[NH2+]1 306627935 345499111 /nfs/dbraw/zinc/49/91/11/345499111.db2.gz ZTRZFVIJAFFBCL-GUBZILKMSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1NCCC[C@@]1(O)[C@H]1CCC[NH2+]1 306627934 345499228 /nfs/dbraw/zinc/49/92/28/345499228.db2.gz ZTRZFVIJAFFBCL-AEJSXWLSSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1NCCC[C@]1(O)[C@H]1CCC[NH2+]1 306627936 345499286 /nfs/dbraw/zinc/49/92/86/345499286.db2.gz ZTRZFVIJAFFBCL-IVZWLZJFSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H](CCN)[N@@H+]1C[C@@H](C)[C@@H](O)C1 306629746 345500141 /nfs/dbraw/zinc/50/01/41/345500141.db2.gz KIPAQBZLMPAPHZ-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CCN)[N@H+]1C[C@@H](C)[C@@H](O)C1 306629746 345500142 /nfs/dbraw/zinc/50/01/42/345500142.db2.gz KIPAQBZLMPAPHZ-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CC[NH3+])N1C[C@@H](C)[C@@H](O)C1 306629746 345500144 /nfs/dbraw/zinc/50/01/44/345500144.db2.gz KIPAQBZLMPAPHZ-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@H](C)CCN)C[C@@H]1O 306629743 345500188 /nfs/dbraw/zinc/50/01/88/345500188.db2.gz KIPAQBZLMPAPHZ-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[N@H+]([C@H](C)CCN)C[C@@H]1O 306629743 345500189 /nfs/dbraw/zinc/50/01/89/345500189.db2.gz KIPAQBZLMPAPHZ-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1CN([C@H](C)CC[NH3+])C[C@@H]1O 306629743 345500190 /nfs/dbraw/zinc/50/01/90/345500190.db2.gz KIPAQBZLMPAPHZ-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@H](C[NH3+])CN1C[C@H](O)C(C)(C)C1 306635906 345503884 /nfs/dbraw/zinc/50/38/84/345503884.db2.gz LNXCZWLBLPYSCV-BDAKNGLRSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+]1C[C@H](O)C(C)(C)C1 306635906 345503885 /nfs/dbraw/zinc/50/38/85/345503885.db2.gz LNXCZWLBLPYSCV-BDAKNGLRSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@H+]1C[C@H](O)C(C)(C)C1 306635906 345503886 /nfs/dbraw/zinc/50/38/86/345503886.db2.gz LNXCZWLBLPYSCV-BDAKNGLRSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](C[NH3+])CN1C[C@@H](O)C(C)(C)C1 306635910 345504165 /nfs/dbraw/zinc/50/41/65/345504165.db2.gz LNXCZWLBLPYSCV-DTWKUNHWSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1C[C@@H](O)C(C)(C)C1 306635910 345504168 /nfs/dbraw/zinc/50/41/68/345504168.db2.gz LNXCZWLBLPYSCV-DTWKUNHWSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](CN)C[N@H+]1C[C@@H](O)C(C)(C)C1 306635910 345504170 /nfs/dbraw/zinc/50/41/70/345504170.db2.gz LNXCZWLBLPYSCV-DTWKUNHWSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](C[NH3+])CN1C[C@H](O)C(C)(C)C1 306635916 345504344 /nfs/dbraw/zinc/50/43/44/345504344.db2.gz LNXCZWLBLPYSCV-IUCAKERBSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1C[C@H](O)C(C)(C)C1 306635916 345504346 /nfs/dbraw/zinc/50/43/46/345504346.db2.gz LNXCZWLBLPYSCV-IUCAKERBSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@@H](CN)C[N@H+]1C[C@H](O)C(C)(C)C1 306635916 345504347 /nfs/dbraw/zinc/50/43/47/345504347.db2.gz LNXCZWLBLPYSCV-IUCAKERBSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](C[NH3+])CN1C[C@@H](O)C(C)(C)C1 306635920 345504527 /nfs/dbraw/zinc/50/45/27/345504527.db2.gz LNXCZWLBLPYSCV-RKDXNWHRSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@@H+]1C[C@@H](O)C(C)(C)C1 306635920 345504531 /nfs/dbraw/zinc/50/45/31/345504531.db2.gz LNXCZWLBLPYSCV-RKDXNWHRSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CN)C[N@H+]1C[C@@H](O)C(C)(C)C1 306635920 345504534 /nfs/dbraw/zinc/50/45/34/345504534.db2.gz LNXCZWLBLPYSCV-RKDXNWHRSA-N 1 3 186.299 0.284 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1C[C@@H](O)C(C)(C)C1 306638596 345506352 /nfs/dbraw/zinc/50/63/52/345506352.db2.gz NJCAEZYXKBZOIG-HTQZYQBOSA-N 1 3 199.298 0.404 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1C[C@@H](O)C(C)(C)C1 306638597 345506369 /nfs/dbraw/zinc/50/63/69/345506369.db2.gz NJCAEZYXKBZOIG-JGVFFNPUSA-N 1 3 199.298 0.404 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1C[C@H](O)C(C)(C)C1 306638598 345506873 /nfs/dbraw/zinc/50/68/73/345506873.db2.gz NJCAEZYXKBZOIG-SFYZADRCSA-N 1 3 199.298 0.404 10 0 ACAEHO C[C@H]1C[C@@H](O)CN1CCC(C)(C)[NH3+] 306643414 345511427 /nfs/dbraw/zinc/51/14/27/345511427.db2.gz WOBCDZIBRFWFIY-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1C[C@H](O)CN1CCC(C)(C)[NH3+] 306643415 345511465 /nfs/dbraw/zinc/51/14/65/345511465.db2.gz WOBCDZIBRFWFIY-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1C[C@@H](O)CN1CCC(C)(C)[NH3+] 306643416 345511487 /nfs/dbraw/zinc/51/14/87/345511487.db2.gz WOBCDZIBRFWFIY-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1C[C@H](O)CN1CCC(C)(C)[NH3+] 306643413 345511611 /nfs/dbraw/zinc/51/16/11/345511611.db2.gz WOBCDZIBRFWFIY-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@@H+]1C1CCNCC1 306644135 345512916 /nfs/dbraw/zinc/51/29/16/345512916.db2.gz YPMWMWZZTNOUQD-PSASIEDQSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@H+]1C1CCNCC1 306644135 345512918 /nfs/dbraw/zinc/51/29/18/345512918.db2.gz YPMWMWZZTNOUQD-PSASIEDQSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H](O)CN1C1CC[NH2+]CC1 306644135 345512919 /nfs/dbraw/zinc/51/29/19/345512919.db2.gz YPMWMWZZTNOUQD-PSASIEDQSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@@H+]1C1CCNCC1 306644137 345512981 /nfs/dbraw/zinc/51/29/81/345512981.db2.gz YPMWMWZZTNOUQD-WCBMZHEXSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@H+]1C1CCNCC1 306644137 345512983 /nfs/dbraw/zinc/51/29/83/345512983.db2.gz YPMWMWZZTNOUQD-WCBMZHEXSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@@H](O)CN1C1CC[NH2+]CC1 306644137 345512984 /nfs/dbraw/zinc/51/29/84/345512984.db2.gz YPMWMWZZTNOUQD-WCBMZHEXSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@@H+]1C1CCNCC1 306644136 345512990 /nfs/dbraw/zinc/51/29/90/345512990.db2.gz YPMWMWZZTNOUQD-SCZZXKLOSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@H+]1C1CCNCC1 306644136 345512991 /nfs/dbraw/zinc/51/29/91/345512991.db2.gz YPMWMWZZTNOUQD-SCZZXKLOSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H](O)CN1C1CC[NH2+]CC1 306644136 345512993 /nfs/dbraw/zinc/51/29/93/345512993.db2.gz YPMWMWZZTNOUQD-SCZZXKLOSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@H](O)C[N@@H+]1C1CCNCC1 306644138 345513035 /nfs/dbraw/zinc/51/30/35/345513035.db2.gz YPMWMWZZTNOUQD-WPRPVWTQSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@H](O)C[N@H+]1C1CCNCC1 306644138 345513037 /nfs/dbraw/zinc/51/30/37/345513037.db2.gz YPMWMWZZTNOUQD-WPRPVWTQSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@H]1C[C@H](O)CN1C1CC[NH2+]CC1 306644138 345513039 /nfs/dbraw/zinc/51/30/39/345513039.db2.gz YPMWMWZZTNOUQD-WPRPVWTQSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H](CN)[C@@H](C)[NH+]1CC=CC1 306655537 345521001 /nfs/dbraw/zinc/52/10/01/345521001.db2.gz IQUXRWHRWYQHEJ-DTWKUNHWSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](C)N1CC=CC1 306655537 345520999 /nfs/dbraw/zinc/52/09/99/345520999.db2.gz IQUXRWHRWYQHEJ-DTWKUNHWSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](C)N1CC=CC1 306655538 345521008 /nfs/dbraw/zinc/52/10/08/345521008.db2.gz IQUXRWHRWYQHEJ-IUCAKERBSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H](CN)[C@H](C)[NH+]1CC=CC1 306655538 345521010 /nfs/dbraw/zinc/52/10/10/345521010.db2.gz IQUXRWHRWYQHEJ-IUCAKERBSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N1CC=CC1 306655539 345521109 /nfs/dbraw/zinc/52/11/09/345521109.db2.gz IQUXRWHRWYQHEJ-RKDXNWHRSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@H](CN)[C@@H](C)[NH+]1CC=CC1 306655539 345521110 /nfs/dbraw/zinc/52/11/10/345521110.db2.gz IQUXRWHRWYQHEJ-RKDXNWHRSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N1CC=CC1 306655536 345521374 /nfs/dbraw/zinc/52/13/74/345521374.db2.gz IQUXRWHRWYQHEJ-BDAKNGLRSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H]([C@H](C)CN)[NH+]1CC=CC1 306655536 345521378 /nfs/dbraw/zinc/52/13/78/345521378.db2.gz IQUXRWHRWYQHEJ-BDAKNGLRSA-N 1 3 154.257 0.842 10 0 ACAEHO NCCC[N@@H+]1CCC2(CC2)C1 306660946 345525319 /nfs/dbraw/zinc/52/53/19/345525319.db2.gz REKHNFIHDJJWRP-UHFFFAOYSA-N 1 3 154.257 0.821 10 0 ACAEHO NCCC[N@H+]1CCC2(CC2)C1 306660946 345525321 /nfs/dbraw/zinc/52/53/21/345525321.db2.gz REKHNFIHDJJWRP-UHFFFAOYSA-N 1 3 154.257 0.821 10 0 ACAEHO [NH3+]CCCN1CCC2(CC2)C1 306660946 345525325 /nfs/dbraw/zinc/52/53/25/345525325.db2.gz REKHNFIHDJJWRP-UHFFFAOYSA-N 1 3 154.257 0.821 10 0 ACAEHO CN(C)CC1C[NH+]([C@H]2CCC[C@@H]2O)C1 306662745 345527283 /nfs/dbraw/zinc/52/72/83/345527283.db2.gz PYJKPAHWCSYQTC-QWRGUYRKSA-N 1 3 198.310 0.393 10 0 ACAEHO C[C@@H]1C[C@H]1NCC1(C)C[NH2+]C1 306667415 345530085 /nfs/dbraw/zinc/53/00/85/345530085.db2.gz GSICAUPSSHAVFG-HTQZYQBOSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1C[C@H]1[NH2+]CC1(C)CNC1 306667415 345530089 /nfs/dbraw/zinc/53/00/89/345530089.db2.gz GSICAUPSSHAVFG-HTQZYQBOSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1C[C@@H]1NCC1(C)C[NH2+]C1 306667420 345530156 /nfs/dbraw/zinc/53/01/56/345530156.db2.gz GSICAUPSSHAVFG-SFYZADRCSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+]CC1(C)CNC1 306667420 345530159 /nfs/dbraw/zinc/53/01/59/345530159.db2.gz GSICAUPSSHAVFG-SFYZADRCSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[C@@H]1NCC1(C)C[NH2+]C1 306667421 345530175 /nfs/dbraw/zinc/53/01/75/345530175.db2.gz GSICAUPSSHAVFG-YUMQZZPRSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[C@@H]1[NH2+]CC1(C)CNC1 306667421 345530178 /nfs/dbraw/zinc/53/01/78/345530178.db2.gz GSICAUPSSHAVFG-YUMQZZPRSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[C@H]1NCC1(C)C[NH2+]C1 306667418 345530203 /nfs/dbraw/zinc/53/02/03/345530203.db2.gz GSICAUPSSHAVFG-JGVFFNPUSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[C@H]1[NH2+]CC1(C)CNC1 306667418 345530206 /nfs/dbraw/zinc/53/02/06/345530206.db2.gz GSICAUPSSHAVFG-JGVFFNPUSA-N 1 3 154.257 0.594 10 0 ACAEHO CN(C)C1CN(CC2([NH3+])CCCC2)C1 306668882 345531235 /nfs/dbraw/zinc/53/12/35/345531235.db2.gz GGYHXWFFRQDLSP-UHFFFAOYSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CN1C1CCOCC1 306670797 345532394 /nfs/dbraw/zinc/53/23/94/345532394.db2.gz DUNAVYOCYKQDDO-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CN1C1CCOCC1 306670795 345532466 /nfs/dbraw/zinc/53/24/66/345532466.db2.gz DUNAVYOCYKQDDO-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CN1C1CCOCC1 306670798 345532481 /nfs/dbraw/zinc/53/24/81/345532481.db2.gz DUNAVYOCYKQDDO-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CN1C1CCOCC1 306670796 345532507 /nfs/dbraw/zinc/53/25/07/345532507.db2.gz DUNAVYOCYKQDDO-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO [NH3+][C@H]1CCOC[C@H]1CN1CCC1 306672173 345533724 /nfs/dbraw/zinc/53/37/24/345533724.db2.gz AAZZZGOQOAVDLW-BDAKNGLRSA-N 1 3 170.256 0.056 10 0 ACAEHO [NH3+][C@@H]1CCOC[C@@H]1CN1CCC1 306672179 345533797 /nfs/dbraw/zinc/53/37/97/345533797.db2.gz AAZZZGOQOAVDLW-DTWKUNHWSA-N 1 3 170.256 0.056 10 0 ACAEHO [NH3+][C@H]1CCOC[C@@H]1CN1CCC1 306672186 345533818 /nfs/dbraw/zinc/53/38/18/345533818.db2.gz AAZZZGOQOAVDLW-IUCAKERBSA-N 1 3 170.256 0.056 10 0 ACAEHO [NH3+][C@@H]1CCOC[C@H]1CN1CCC1 306672192 345533950 /nfs/dbraw/zinc/53/39/50/345533950.db2.gz AAZZZGOQOAVDLW-RKDXNWHRSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@@H](O)CN1CC[C@H]([NH3+])C(C)(C)C1 306673660 345534824 /nfs/dbraw/zinc/53/48/24/345534824.db2.gz OEIYFDPMJNOIFX-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](O)CN1CC[C@@H]([NH3+])C(C)(C)C1 306673661 345535219 /nfs/dbraw/zinc/53/52/19/345535219.db2.gz OEIYFDPMJNOIFX-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO Cc1ncc(NCC[NH3+])n1C 306673950 345535534 /nfs/dbraw/zinc/53/55/34/345535534.db2.gz OXJOJFGGNGWZJD-UHFFFAOYSA-N 1 3 154.217 0.099 10 0 ACAEHO CC(C)[C@H](C)N1CC(C[NH3+])C1 306674277 345536236 /nfs/dbraw/zinc/53/62/36/345536236.db2.gz QBGXXTVHTMQIBF-QMMMGPOBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@H](C)[NH+]1CC(CN)C1 306674277 345536239 /nfs/dbraw/zinc/53/62/39/345536239.db2.gz QBGXXTVHTMQIBF-QMMMGPOBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@@H](C)N1CC(C[NH3+])C1 306674276 345536436 /nfs/dbraw/zinc/53/64/36/345536436.db2.gz QBGXXTVHTMQIBF-MRVPVSSYSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)[C@@H](C)[NH+]1CC(CN)C1 306674276 345536440 /nfs/dbraw/zinc/53/64/40/345536440.db2.gz QBGXXTVHTMQIBF-MRVPVSSYSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CC(N(C)C)C1 306681227 345542763 /nfs/dbraw/zinc/54/27/63/345542763.db2.gz NIZLGZGAPRAZGO-ZJUUUORDSA-N 1 3 197.326 0.088 10 0 ACAEHO C[C@H]1C[NH2+]C[C@@H]1CN1CC(N(C)C)C1 306681226 345542810 /nfs/dbraw/zinc/54/28/10/345542810.db2.gz NIZLGZGAPRAZGO-VHSXEESVSA-N 1 3 197.326 0.088 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CC(N(C)C)C1 306681224 345542856 /nfs/dbraw/zinc/54/28/56/345542856.db2.gz NIZLGZGAPRAZGO-NXEZZACHSA-N 1 3 197.326 0.088 10 0 ACAEHO C[C@H]1C[NH2+]C[C@H]1CN1CC(N(C)C)C1 306681225 345542903 /nfs/dbraw/zinc/54/29/03/345542903.db2.gz NIZLGZGAPRAZGO-UWVGGRQHSA-N 1 3 197.326 0.088 10 0 ACAEHO CCN1CC[C@H]2C[NH2+]CCO[C@H]2C1 306683078 345544343 /nfs/dbraw/zinc/54/43/43/345544343.db2.gz UOUZIDZCDUXUDA-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO CC1(CN2CCCC2)C[NH2+]C1 306684477 345545658 /nfs/dbraw/zinc/54/56/58/345545658.db2.gz IFKOCYYAFKXNHW-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO CC1(C[NH+]2CCCC2)CNC1 306684477 345545660 /nfs/dbraw/zinc/54/56/60/345545660.db2.gz IFKOCYYAFKXNHW-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO C[C@@H]([NH3+])c1cncn1CC1CN(C)C1 306692180 345550132 /nfs/dbraw/zinc/55/01/32/345550132.db2.gz REUNRBBJNHPMHJ-MRVPVSSYSA-N 1 3 194.282 0.464 10 0 ACAEHO N[C@H](C[NH3+])[C@H]1CCCSC1 306694350 345551537 /nfs/dbraw/zinc/55/15/37/345551537.db2.gz USNVMKYFVOULLX-NKWVEPMBSA-N 1 3 160.286 0.416 10 0 ACAEHO N[C@H](C[NH3+])[C@@H]1CCCSC1 306694351 345551540 /nfs/dbraw/zinc/55/15/40/345551540.db2.gz USNVMKYFVOULLX-RNFRBKRXSA-N 1 3 160.286 0.416 10 0 ACAEHO N[C@@H](C[NH3+])[C@H]1CCCSC1 306694349 345551728 /nfs/dbraw/zinc/55/17/28/345551728.db2.gz USNVMKYFVOULLX-BQBZGAKWSA-N 1 3 160.286 0.416 10 0 ACAEHO N[C@@H](C[NH3+])[C@@H]1CCCSC1 306694352 345551761 /nfs/dbraw/zinc/55/17/61/345551761.db2.gz USNVMKYFVOULLX-RQJHMYQMSA-N 1 3 160.286 0.416 10 0 ACAEHO CC1(C[N@H+]2C[C@H]3C[C@H]3C2)CNC1 306695040 345552352 /nfs/dbraw/zinc/55/23/52/345552352.db2.gz VONPCGQSWKSRBW-DTORHVGOSA-N 1 3 166.268 0.548 10 0 ACAEHO CC1(C[N@@H+]2C[C@H]3C[C@H]3C2)CNC1 306695040 345552356 /nfs/dbraw/zinc/55/23/56/345552356.db2.gz VONPCGQSWKSRBW-DTORHVGOSA-N 1 3 166.268 0.548 10 0 ACAEHO C[C@@H]1CC[N@H+](CC2(C)CNC2)C1 306696309 345552747 /nfs/dbraw/zinc/55/27/47/345552747.db2.gz XEKVKPRUJYCJQA-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC2(C)CNC2)C1 306696309 345552749 /nfs/dbraw/zinc/55/27/49/345552749.db2.gz XEKVKPRUJYCJQA-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H]1CCN(CC2(C)C[NH2+]C2)C1 306696309 345552751 /nfs/dbraw/zinc/55/27/51/345552751.db2.gz XEKVKPRUJYCJQA-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]1CC[N@H+](CC2(C)CNC2)C1 306696310 345552757 /nfs/dbraw/zinc/55/27/57/345552757.db2.gz XEKVKPRUJYCJQA-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]1CC[N@@H+](CC2(C)CNC2)C1 306696310 345552759 /nfs/dbraw/zinc/55/27/59/345552759.db2.gz XEKVKPRUJYCJQA-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]1CCN(CC2(C)C[NH2+]C2)C1 306696310 345552761 /nfs/dbraw/zinc/55/27/61/345552761.db2.gz XEKVKPRUJYCJQA-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H]1C[C@H](O)CN(C2CC([NH3+])C2)C1 306697642 345553312 /nfs/dbraw/zinc/55/33/12/345553312.db2.gz ZYRPEISGQXHIPU-WOOKNIGNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](O)CN(C2CC([NH3+])C2)C1 306697641 345553334 /nfs/dbraw/zinc/55/33/34/345553334.db2.gz ZYRPEISGQXHIPU-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO CO[C@]1(C)CC[N@@H+](C2CCNCC2)C1 306699405 345554410 /nfs/dbraw/zinc/55/44/10/345554410.db2.gz DIKYUGDMPNREPT-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@]1(C)CC[N@H+](C2CCNCC2)C1 306699405 345554413 /nfs/dbraw/zinc/55/44/13/345554413.db2.gz DIKYUGDMPNREPT-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@]1(C)CCN(C2CC[NH2+]CC2)C1 306699405 345554416 /nfs/dbraw/zinc/55/44/16/345554416.db2.gz DIKYUGDMPNREPT-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@@]1(C)CC[N@@H+](C2CCNCC2)C1 306699411 345554503 /nfs/dbraw/zinc/55/45/03/345554503.db2.gz DIKYUGDMPNREPT-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@@]1(C)CC[N@H+](C2CCNCC2)C1 306699411 345554506 /nfs/dbraw/zinc/55/45/06/345554506.db2.gz DIKYUGDMPNREPT-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO CO[C@@]1(C)CCN(C2CC[NH2+]CC2)C1 306699411 345554508 /nfs/dbraw/zinc/55/45/08/345554508.db2.gz DIKYUGDMPNREPT-NSHDSACASA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CN=C(SCC[NH3+])N1 306720824 345572006 /nfs/dbraw/zinc/57/20/06/345572006.db2.gz HMWOJYSBIHBPKD-RXMQYKEDSA-N 1 3 159.258 0.026 10 0 ACAEHO C[C@H]1CN=C(SCC[NH3+])N1 306720825 345572013 /nfs/dbraw/zinc/57/20/13/345572013.db2.gz HMWOJYSBIHBPKD-YFKPBYRVSA-N 1 3 159.258 0.026 10 0 ACAEHO CC[C@H](C[NH3+])N1C[C@H]2C[C@H]2C1 306722522 345573253 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/nfs/dbraw/zinc/65/11/81/345651181.db2.gz FRDLUXNEOMSWET-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@@H+]1[C@H](C)CO 306842198 345651182 /nfs/dbraw/zinc/65/11/82/345651182.db2.gz FRDLUXNEOMSWET-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]([NH3+])CN[C@H]1CC12CCOCC2 306842967 345651529 /nfs/dbraw/zinc/65/15/29/345651529.db2.gz CFSCSWKGRWIKBV-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H]([NH3+])CN[C@@H]1CC12CCOCC2 306842968 345651562 /nfs/dbraw/zinc/65/15/62/345651562.db2.gz CFSCSWKGRWIKBV-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO N[C@@H](CC[NH3+])c1ccc(O)cc1 306844138 345652967 /nfs/dbraw/zinc/65/29/67/345652967.db2.gz DSWDBJPPBNCYHO-VIFPVBQESA-N 1 3 166.224 0.741 10 0 ACAEHO C[N@H+]([C@@H]1COCC[C@H]1N)C(C)(C)C 306846579 345654000 /nfs/dbraw/zinc/65/40/00/345654000.db2.gz KDIAHWVBYTZNJI-RKDXNWHRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[N@@H+]([C@@H]1COCC[C@H]1N)C(C)(C)C 306846579 345654003 /nfs/dbraw/zinc/65/40/03/345654003.db2.gz KDIAHWVBYTZNJI-RKDXNWHRSA-N 1 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345654272 /nfs/dbraw/zinc/65/42/72/345654272.db2.gz KDIAHWVBYTZNJI-BDAKNGLRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[N@@H+]([C@H]1COCC[C@H]1N)C(C)(C)C 306846576 345654274 /nfs/dbraw/zinc/65/42/74/345654274.db2.gz KDIAHWVBYTZNJI-BDAKNGLRSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCCOC[C@H]1C 306850831 345657273 /nfs/dbraw/zinc/65/72/73/345657273.db2.gz PNWTUVNELQPPMI-UTLUCORTSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCCOC[C@H]1C 306850831 345657275 /nfs/dbraw/zinc/65/72/75/345657275.db2.gz PNWTUVNELQPPMI-UTLUCORTSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCCOC[C@@H]1C 306850828 345657333 /nfs/dbraw/zinc/65/73/33/345657333.db2.gz PNWTUVNELQPPMI-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCCOC[C@@H]1C 306850828 345657334 /nfs/dbraw/zinc/65/73/34/345657334.db2.gz PNWTUVNELQPPMI-GUBZILKMSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCCOC[C@@H]1C 306850830 345657341 /nfs/dbraw/zinc/65/73/41/345657341.db2.gz PNWTUVNELQPPMI-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CCCOC[C@@H]1C 306850830 345657342 /nfs/dbraw/zinc/65/73/42/345657342.db2.gz PNWTUVNELQPPMI-LPEHRKFASA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CCCOC[C@H]1C 306850829 345657397 /nfs/dbraw/zinc/65/73/97/345657397.db2.gz PNWTUVNELQPPMI-KXUCPTDWSA-N 1 3 186.299 0.833 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CCCOC[C@H]1C 306850829 345657399 /nfs/dbraw/zinc/65/73/99/345657399.db2.gz PNWTUVNELQPPMI-KXUCPTDWSA-N 1 3 186.299 0.833 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@H]1N1C[C@H]2C[C@H]2C1 306853578 345658545 /nfs/dbraw/zinc/65/85/45/345658545.db2.gz UCGNAPKFAFSCJC-CHWFTXMASA-N 1 3 180.295 0.936 10 0 ACAEHO CC[C@@H]1C[NH2+]C[C@@H]1N1C[C@H]2C[C@H]2C1 306853581 345658631 /nfs/dbraw/zinc/65/86/31/345658631.db2.gz UCGNAPKFAFSCJC-ZNSHCXBVSA-N 1 3 180.295 0.936 10 0 ACAEHO CCN(C)[C@@H](C)[C@H]1CC[NH2+]C1 306854255 345658988 /nfs/dbraw/zinc/65/89/88/345658988.db2.gz ALWCPXKCVUOGIU-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@H](C)[C@@H]1CC[NH2+]C1 306854256 345659234 /nfs/dbraw/zinc/65/92/34/345659234.db2.gz ALWCPXKCVUOGIU-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@H](C)[C@H]1CC[NH2+]C1 306854253 345659394 /nfs/dbraw/zinc/65/93/94/345659394.db2.gz ALWCPXKCVUOGIU-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(C)[C@@H](C)[C@@H]1CC[NH2+]C1 306854254 345659439 /nfs/dbraw/zinc/65/94/39/345659439.db2.gz ALWCPXKCVUOGIU-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1CSC[C@H]1NCC[NH3+] 306856663 345660174 /nfs/dbraw/zinc/66/01/74/345660174.db2.gz XKNUJBVMIBYTRN-NKWVEPMBSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCNCC2)C[C@@H]1O 306856609 345660181 /nfs/dbraw/zinc/66/01/81/345660181.db2.gz XHEKWRRFYRLVHU-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCNCC2)C[C@@H]1O 306856609 345660184 /nfs/dbraw/zinc/66/01/84/345660184.db2.gz XHEKWRRFYRLVHU-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H]1O 306856609 345660186 /nfs/dbraw/zinc/66/01/86/345660186.db2.gz XHEKWRRFYRLVHU-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1CSC[C@@H]1NCC[NH3+] 306856662 345660213 /nfs/dbraw/zinc/66/02/13/345660213.db2.gz XKNUJBVMIBYTRN-BQBZGAKWSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@@H]1CSC[C@H]1NCC[NH3+] 306856664 345660251 /nfs/dbraw/zinc/66/02/51/345660251.db2.gz XKNUJBVMIBYTRN-RNFRBKRXSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@@H]1C[N@@H+](C2CCNCC2)C[C@H]1O 306856608 345660326 /nfs/dbraw/zinc/66/03/26/345660326.db2.gz XHEKWRRFYRLVHU-PSASIEDQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[N@H+](C2CCNCC2)C[C@H]1O 306856608 345660330 /nfs/dbraw/zinc/66/03/30/345660330.db2.gz XHEKWRRFYRLVHU-PSASIEDQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CN(C2CC[NH2+]CC2)C[C@H]1O 306856608 345660332 /nfs/dbraw/zinc/66/03/32/345660332.db2.gz XHEKWRRFYRLVHU-PSASIEDQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCNCC2)C[C@H]1O 306856610 345660474 /nfs/dbraw/zinc/66/04/74/345660474.db2.gz XHEKWRRFYRLVHU-WCBMZHEXSA-N 1 3 184.283 0.051 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306857179 345660917 /nfs/dbraw/zinc/66/09/17/345660917.db2.gz ZKGVGBCRKOXZTI-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 306857178 345661084 /nfs/dbraw/zinc/66/10/84/345661084.db2.gz ZKGVGBCRKOXZTI-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](C)C1 306857178 345661085 /nfs/dbraw/zinc/66/10/85/345661085.db2.gz ZKGVGBCRKOXZTI-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 306857181 345661130 /nfs/dbraw/zinc/66/11/30/345661130.db2.gz ZKGVGBCRKOXZTI-XKNYDFJKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@H](O)[C@@H](C)C1 306857181 345661134 /nfs/dbraw/zinc/66/11/34/345661134.db2.gz ZKGVGBCRKOXZTI-XKNYDFJKSA-N 1 3 186.299 0.425 10 0 ACAEHO CNCC[NH2+]CCC(F)F 306857146 345661193 /nfs/dbraw/zinc/66/11/93/345661193.db2.gz XZHIMWVSEYOMRI-UHFFFAOYSA-N 1 3 152.188 0.451 10 0 ACAEHO C[C@@H]1CSC[C@@H]1NCC[NH3+] 306856765 345661200 /nfs/dbraw/zinc/66/12/00/345661200.db2.gz XKNUJBVMIBYTRN-RQJHMYQMSA-N 1 3 160.286 0.286 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 306857180 345661210 /nfs/dbraw/zinc/66/12/10/345661210.db2.gz ZKGVGBCRKOXZTI-XFWSIPNHSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C)C1 306857180 345661214 /nfs/dbraw/zinc/66/12/14/345661214.db2.gz ZKGVGBCRKOXZTI-XFWSIPNHSA-N 1 3 186.299 0.425 10 0 ACAEHO N[C@H](CC[NH3+])c1ccc(O)cc1 306857755 345661673 /nfs/dbraw/zinc/66/16/73/345661673.db2.gz DSWDBJPPBNCYHO-SECBINFHSA-N 1 3 166.224 0.741 10 0 ACAEHO Cc1ncc(N2CC[C@@H]([NH3+])C2)n1C 306860283 345663352 /nfs/dbraw/zinc/66/33/52/345663352.db2.gz DOZWZSHOPFXKHR-MRVPVSSYSA-N 1 3 180.255 0.266 10 0 ACAEHO Cc1ncc(N2CC[C@H]([NH3+])C2)n1C 306860284 345663369 /nfs/dbraw/zinc/66/33/69/345663369.db2.gz DOZWZSHOPFXKHR-QMMMGPOBSA-N 1 3 180.255 0.266 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CCN1[C@H](C)CO 306864976 345666906 /nfs/dbraw/zinc/66/69/06/345666906.db2.gz LLKHSJGADGDUFA-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@H+]([C@H](C)[C@H](C)N)C1 306862823 345665660 /nfs/dbraw/zinc/66/56/60/345665660.db2.gz IYNYNYHEICOKNP-AXTSPUMRSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@@H+]([C@H](C)[C@H](C)N)C1 306862823 345665664 /nfs/dbraw/zinc/66/56/64/345665664.db2.gz IYNYNYHEICOKNP-AXTSPUMRSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@H+]([C@@H](C)[C@@H](C)N)C1 306862825 345665938 /nfs/dbraw/zinc/66/59/38/345665938.db2.gz IYNYNYHEICOKNP-QCLAVDOMSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@@H+]([C@@H](C)[C@@H](C)N)C1 306862825 345665940 /nfs/dbraw/zinc/66/59/40/345665940.db2.gz IYNYNYHEICOKNP-QCLAVDOMSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@H+]([C@@H](C)[C@H](C)N)C1 306862822 345665952 /nfs/dbraw/zinc/66/59/52/345665952.db2.gz IYNYNYHEICOKNP-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@@H+]([C@@H](C)[C@H](C)N)C1 306862822 345665955 /nfs/dbraw/zinc/66/59/55/345665955.db2.gz IYNYNYHEICOKNP-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@H+]([C@H](C)[C@@H](C)N)C1 306862827 345666007 /nfs/dbraw/zinc/66/60/07/345666007.db2.gz IYNYNYHEICOKNP-SGIHWFKDSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@@H+]([C@H](C)[C@@H](C)N)C1 306862827 345666009 /nfs/dbraw/zinc/66/60/09/345666009.db2.gz IYNYNYHEICOKNP-SGIHWFKDSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](CO)N1CC[C@@H]([NH3+])C[C@H]1C 306864978 345666932 /nfs/dbraw/zinc/66/69/32/345666932.db2.gz LLKHSJGADGDUFA-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)N1CC[C@H]([NH3+])C[C@H]1C 306864977 345667027 /nfs/dbraw/zinc/66/70/27/345667027.db2.gz LLKHSJGADGDUFA-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)C[C@H](CN)C1 306866101 345667768 /nfs/dbraw/zinc/66/77/68/345667768.db2.gz NOPUSXNSRRKIPC-DTWKUNHWSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@H+]1C[C@@H](C)C[C@H](CN)C1 306866101 345667771 /nfs/dbraw/zinc/66/77/71/345667771.db2.gz NOPUSXNSRRKIPC-DTWKUNHWSA-N 1 3 156.273 0.923 10 0 ACAEHO CCN1C[C@@H](C)C[C@H](C[NH3+])C1 306866101 345667774 /nfs/dbraw/zinc/66/77/74/345667774.db2.gz NOPUSXNSRRKIPC-DTWKUNHWSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@H+]1C[C@H](CN)C[C@@H](C)C1 306866100 345667784 /nfs/dbraw/zinc/66/77/84/345667784.db2.gz NOPUSXNSRRKIPC-BDAKNGLRSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@@H+]1C[C@H](CN)C[C@@H](C)C1 306866100 345667786 /nfs/dbraw/zinc/66/77/86/345667786.db2.gz NOPUSXNSRRKIPC-BDAKNGLRSA-N 1 3 156.273 0.923 10 0 ACAEHO CCN1C[C@H](C[NH3+])C[C@@H](C)C1 306866100 345667790 /nfs/dbraw/zinc/66/77/90/345667790.db2.gz NOPUSXNSRRKIPC-BDAKNGLRSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@@H+]1C[C@H](C)C[C@H](CN)C1 306866144 345667895 /nfs/dbraw/zinc/66/78/95/345667895.db2.gz NOPUSXNSRRKIPC-RKDXNWHRSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@H+]1C[C@H](C)C[C@H](CN)C1 306866144 345667898 /nfs/dbraw/zinc/66/78/98/345667898.db2.gz NOPUSXNSRRKIPC-RKDXNWHRSA-N 1 3 156.273 0.923 10 0 ACAEHO CCN1C[C@H](C)C[C@H](C[NH3+])C1 306866144 345667902 /nfs/dbraw/zinc/66/79/02/345667902.db2.gz NOPUSXNSRRKIPC-RKDXNWHRSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)C[C@@H](CN)C1 306866102 345668178 /nfs/dbraw/zinc/66/81/78/345668178.db2.gz NOPUSXNSRRKIPC-IUCAKERBSA-N 1 3 156.273 0.923 10 0 ACAEHO CC[N@H+]1C[C@@H](C)C[C@@H](CN)C1 306866102 345668180 /nfs/dbraw/zinc/66/81/80/345668180.db2.gz NOPUSXNSRRKIPC-IUCAKERBSA-N 1 3 156.273 0.923 10 0 ACAEHO CCN1C[C@@H](C)C[C@@H](C[NH3+])C1 306866102 345668183 /nfs/dbraw/zinc/66/81/83/345668183.db2.gz NOPUSXNSRRKIPC-IUCAKERBSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@@H]1CC[C@H](CN(C)C)C[NH2+]1 306868005 345668924 /nfs/dbraw/zinc/66/89/24/345668924.db2.gz QGCFOMKTKRODGS-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1CC[C@H](CN(C)C)C[NH2+]1 306868008 345669027 /nfs/dbraw/zinc/66/90/27/345669027.db2.gz QGCFOMKTKRODGS-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]1CC[C@@H](CN(C)C)C[NH2+]1 306868010 345669038 /nfs/dbraw/zinc/66/90/38/345669038.db2.gz QGCFOMKTKRODGS-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@H]1CC[C@@H](CN(C)C)C[NH2+]1 306868007 345669184 /nfs/dbraw/zinc/66/91/84/345669184.db2.gz QGCFOMKTKRODGS-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]([C@@H](C)O)N1C[C@@H]2C[C@H](C1)C2[NH3+] 306879798 345676171 /nfs/dbraw/zinc/67/61/71/345676171.db2.gz GTCBKHZDRLLHOY-FLZHQEHWSA-N 1 3 184.283 0.035 10 0 ACAEHO C[C@H](O)[C@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 306879802 345676296 /nfs/dbraw/zinc/67/62/96/345676296.db2.gz GTCBKHZDRLLHOY-PLJUCTGSSA-N 1 3 184.283 0.035 10 0 ACAEHO C[C@@H](O)[C@@H](C)N1C[C@@H]2C[C@H](C1)C2[NH3+] 306879800 345676383 /nfs/dbraw/zinc/67/63/83/345676383.db2.gz GTCBKHZDRLLHOY-NZDCWBGLSA-N 1 3 184.283 0.035 10 0 ACAEHO CC[N@@H+]1CC[C@H](n2cncc2CN)C1 306881935 345678012 /nfs/dbraw/zinc/67/80/12/345678012.db2.gz MQYYWDSSYZTYGR-VIFPVBQESA-N 1 3 194.282 0.609 10 0 ACAEHO CC[N@H+]1CC[C@H](n2cncc2CN)C1 306881935 345678016 /nfs/dbraw/zinc/67/80/16/345678016.db2.gz MQYYWDSSYZTYGR-VIFPVBQESA-N 1 3 194.282 0.609 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@@H](C)[C@@H]1CO 306881838 345678109 /nfs/dbraw/zinc/67/81/09/345678109.db2.gz IFDCJJINVURHPM-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO CC[N@@H+]1CC[C@@H](n2cncc2CN)C1 306881934 345678118 /nfs/dbraw/zinc/67/81/18/345678118.db2.gz MQYYWDSSYZTYGR-SECBINFHSA-N 1 3 194.282 0.609 10 0 ACAEHO CC[N@H+]1CC[C@@H](n2cncc2CN)C1 306881934 345678121 /nfs/dbraw/zinc/67/81/21/345678121.db2.gz MQYYWDSSYZTYGR-SECBINFHSA-N 1 3 194.282 0.609 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@H](C)[C@@H]1CO 306881840 345678180 /nfs/dbraw/zinc/67/81/80/345678180.db2.gz IFDCJJINVURHPM-XKNYDFJKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1CC[C@@H](C)[C@H]1CO 306881839 345678239 /nfs/dbraw/zinc/67/82/39/345678239.db2.gz IFDCJJINVURHPM-XFWSIPNHSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@@H]1CC12CCOCC2 306886330 345682504 /nfs/dbraw/zinc/68/25/04/345682504.db2.gz SIFBYMDSITYWST-IVZWLZJFSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1CC12CCOCC2 306886329 345682552 /nfs/dbraw/zinc/68/25/52/345682552.db2.gz SIFBYMDSITYWST-GUBZILKMSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@H]1CC12CCOCC2 306886328 345682670 /nfs/dbraw/zinc/68/26/70/345682670.db2.gz SIFBYMDSITYWST-AEJSXWLSSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H]1CN(CCC(C)(C)[NH3+])C[C@H]1O 306887153 345683140 /nfs/dbraw/zinc/68/31/40/345683140.db2.gz UBJNSIFZDRSMGU-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CN(CCC(C)(C)[NH3+])C[C@H]1O 306887151 345683204 /nfs/dbraw/zinc/68/32/04/345683204.db2.gz UBJNSIFZDRSMGU-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1CN(CCC(C)(C)[NH3+])C[C@@H]1O 306887152 345683305 /nfs/dbraw/zinc/68/33/05/345683305.db2.gz UBJNSIFZDRSMGU-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H]1CN(CCC(C)(C)[NH3+])C[C@@H]1O 306887150 345683356 /nfs/dbraw/zinc/68/33/56/345683356.db2.gz UBJNSIFZDRSMGU-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)N1CC[C@H](NC2C[NH2+]C2)C1 306889647 345685878 /nfs/dbraw/zinc/68/58/78/345685878.db2.gz XOBKUARHSOGVSS-VIFPVBQESA-N 1 3 183.299 0.031 10 0 ACAEHO CC(C)N1CC[C@@H](NC2C[NH2+]C2)C1 306889646 345686134 /nfs/dbraw/zinc/68/61/34/345686134.db2.gz XOBKUARHSOGVSS-SECBINFHSA-N 1 3 183.299 0.031 10 0 ACAEHO CC(C)N1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 306890113 345686551 /nfs/dbraw/zinc/68/65/51/345686551.db2.gz YKTSNTRRZFJZAO-MNOVXSKESA-N 1 3 197.326 0.421 10 0 ACAEHO CC(C)N1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 306890112 345686570 /nfs/dbraw/zinc/68/65/70/345686570.db2.gz YKTSNTRRZFJZAO-GHMZBOCLSA-N 1 3 197.326 0.421 10 0 ACAEHO CC(C)N1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 306890115 345686762 /nfs/dbraw/zinc/68/67/62/345686762.db2.gz YKTSNTRRZFJZAO-WDEREUQCSA-N 1 3 197.326 0.421 10 0 ACAEHO CC(C)N1CC[C@H](N[C@H]2CC[NH2+]C2)C1 306890114 345686789 /nfs/dbraw/zinc/68/67/89/345686789.db2.gz YKTSNTRRZFJZAO-QWRGUYRKSA-N 1 3 197.326 0.421 10 0 ACAEHO C1CCN(CCC2=[NH+]CCN2)C1 306891059 345687838 /nfs/dbraw/zinc/68/78/38/345687838.db2.gz ZRRNWNJUVVUMMX-UHFFFAOYSA-N 1 3 167.256 0.474 10 0 ACAEHO NC1CC([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306896530 345689815 /nfs/dbraw/zinc/68/98/15/345689815.db2.gz QASGQXIIKNTZJV-BLVCEYRISA-N 1 3 166.268 0.864 10 0 ACAEHO [NH3+]C1CC(N[C@H]2C[C@@H]3C[C@@H]3C2)C1 306896530 345689816 /nfs/dbraw/zinc/68/98/16/345689816.db2.gz QASGQXIIKNTZJV-BLVCEYRISA-N 1 3 166.268 0.864 10 0 ACAEHO NC1CC([N@@H+]2CCC3(CC3)C2)C1 306902128 345692147 /nfs/dbraw/zinc/69/21/47/345692147.db2.gz HRFAYHONHBCPGC-UHFFFAOYSA-N 1 3 166.268 0.962 10 0 ACAEHO NC1CC([N@H+]2CCC3(CC3)C2)C1 306902128 345692151 /nfs/dbraw/zinc/69/21/51/345692151.db2.gz HRFAYHONHBCPGC-UHFFFAOYSA-N 1 3 166.268 0.962 10 0 ACAEHO [NH3+]C1CC(N2CCC3(CC3)C2)C1 306902128 345692153 /nfs/dbraw/zinc/69/21/53/345692153.db2.gz HRFAYHONHBCPGC-UHFFFAOYSA-N 1 3 166.268 0.962 10 0 ACAEHO C[C@H]([NH3+])c1cncn1CC1CN(C)C1 306902929 345692760 /nfs/dbraw/zinc/69/27/60/345692760.db2.gz REUNRBBJNHPMHJ-QMMMGPOBSA-N 1 3 194.282 0.464 10 0 ACAEHO [NH3+][C@H]1CCN([C@H]2C[C@@H]3C[C@@H]3C2)C1 306913217 345695908 /nfs/dbraw/zinc/69/59/08/345695908.db2.gz STBABAKLWWLAEE-JXUBOQSCSA-N 1 3 166.268 0.818 10 0 ACAEHO CC1(Nc2ccncc2)C[NH2+]C1 306917743 345697274 /nfs/dbraw/zinc/69/72/74/345697274.db2.gz YGYRVKVJPZHOEL-UHFFFAOYSA-N 1 3 163.224 0.855 10 0 ACAEHO C1COCC[C@H]([NH2+]C2CCNCC2)C1 306918936 345698376 /nfs/dbraw/zinc/69/83/76/345698376.db2.gz JBSLEGQHVKGEHA-SNVBAGLBSA-N 1 3 198.310 0.897 10 0 ACAEHO C1COCC[C@@H]([NH2+]C2CCNCC2)C1 306918935 345698557 /nfs/dbraw/zinc/69/85/57/345698557.db2.gz JBSLEGQHVKGEHA-JTQLQIEISA-N 1 3 198.310 0.897 10 0 ACAEHO CC(C)[N@H+](C)CC1(C)CNC1 306940619 345709233 /nfs/dbraw/zinc/70/92/33/345709233.db2.gz CEAVJFOTXCDZRC-UHFFFAOYSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)[N@@H+](C)CC1(C)CNC1 306940619 345709235 /nfs/dbraw/zinc/70/92/35/345709235.db2.gz CEAVJFOTXCDZRC-UHFFFAOYSA-N 1 3 156.273 0.936 10 0 ACAEHO C[NH2+]C1CCN([C@H]2CCN(C)C2)CC1 306953151 345715897 /nfs/dbraw/zinc/71/58/97/345715897.db2.gz HWZUTLIFRCMTQN-NSHDSACASA-N 1 3 197.326 0.374 10 0 ACAEHO 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/nfs/dbraw/zinc/78/64/02/345786402.db2.gz JXJAGGNAJQVSTB-MXWKQRLJSA-N 1 3 198.310 0.713 10 0 ACAEHO CC[N@H+]([C@@H]1CCOC1)[C@@H]1CCC[C@H]1N 307061015 345786448 /nfs/dbraw/zinc/78/64/48/345786448.db2.gz KMIXQOGVQCNKKB-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[N@@H+]([C@@H]1CCOC1)[C@@H]1CCC[C@H]1N 307061015 345786450 /nfs/dbraw/zinc/78/64/50/345786450.db2.gz KMIXQOGVQCNKKB-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO N[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2CCO)C1 307060605 345786488 /nfs/dbraw/zinc/78/64/88/345786488.db2.gz JXJAGGNAJQVSTB-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO N[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2CCO)C1 307060605 345786491 /nfs/dbraw/zinc/78/64/91/345786491.db2.gz JXJAGGNAJQVSTB-VWYCJHECSA-N 1 3 198.310 0.713 10 0 ACAEHO CC[N@@H+]([C@H]1CCC[C@H]1N)[C@@H]1CCOC1 307061016 345786522 /nfs/dbraw/zinc/78/65/22/345786522.db2.gz KMIXQOGVQCNKKB-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[N@H+]([C@H]1CCC[C@H]1N)[C@@H]1CCOC1 307061016 345786524 /nfs/dbraw/zinc/78/65/24/345786524.db2.gz KMIXQOGVQCNKKB-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH+]1CC=CC1 307067574 345790493 /nfs/dbraw/zinc/79/04/93/345790493.db2.gz LHXLBUGIUXVGTM-HTQZYQBOSA-N 1 3 140.230 0.594 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH+]1CC=CC1 307067738 345790717 /nfs/dbraw/zinc/79/07/17/345790717.db2.gz LHXLBUGIUXVGTM-JGVFFNPUSA-N 1 3 140.230 0.594 10 0 ACAEHO C[C@H](N)[C@H](C)[NH+]1CC=CC1 307067740 345790767 /nfs/dbraw/zinc/79/07/67/345790767.db2.gz LHXLBUGIUXVGTM-YUMQZZPRSA-N 1 3 140.230 0.594 10 0 ACAEHO C[C@@H]([C@@H](C)N)[NH+]1CC=CC1 307067739 345790798 /nfs/dbraw/zinc/79/07/98/345790798.db2.gz LHXLBUGIUXVGTM-SFYZADRCSA-N 1 3 140.230 0.594 10 0 ACAEHO CC1(C)CC(N)(C[NH3+])C1 307068374 345790953 /nfs/dbraw/zinc/79/09/53/345790953.db2.gz CCLCIOSRSMKGAO-UHFFFAOYSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@H]1C[C@@H](O)CN1C(C)(C)C[NH3+] 307075342 345795053 /nfs/dbraw/zinc/79/50/53/345795053.db2.gz KLEDEEYZKWSAMY-HTQZYQBOSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@H](O)CN1C(C)(C)C[NH3+] 307075345 345795109 /nfs/dbraw/zinc/79/51/09/345795109.db2.gz KLEDEEYZKWSAMY-YUMQZZPRSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@H](O)CN1C(C)(C)C[NH3+] 307075343 345795387 /nfs/dbraw/zinc/79/53/87/345795387.db2.gz KLEDEEYZKWSAMY-JGVFFNPUSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]1C[C@H](O)CN1C(C)(C)C[NH3+] 307075344 345795408 /nfs/dbraw/zinc/79/54/08/345795408.db2.gz KLEDEEYZKWSAMY-SFYZADRCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](CN1CCC1)C(N)=[NH2+] 307078455 345797002 /nfs/dbraw/zinc/79/70/02/345797002.db2.gz MULYNTYVOGGPCP-LURJTMIESA-N 1 3 141.218 0.264 10 0 ACAEHO C[C@H](CN1CCC1)C(N)=[NH2+] 307078458 345797050 /nfs/dbraw/zinc/79/70/50/345797050.db2.gz MULYNTYVOGGPCP-ZCFIWIBFSA-N 1 3 141.218 0.264 10 0 ACAEHO [NH3+]C/C=C/CN1CC=CCC1 307080119 345798261 /nfs/dbraw/zinc/79/82/61/345798261.db2.gz IEKWKAZWBQYKHN-GORDUTHDSA-N 1 3 152.241 0.763 10 0 ACAEHO [NH3+][C@@H]1CCCN([C@@H]2CCOC2)CC1 307086725 345801589 /nfs/dbraw/zinc/80/15/89/345801589.db2.gz ZDQVBENPHYNSBY-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+][C@H]1CCCN([C@H]2CCOC2)CC1 307086726 345801875 /nfs/dbraw/zinc/80/18/75/345801875.db2.gz ZDQVBENPHYNSBY-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@H]1NC1CC([NH3+])C1 307087115 345802143 /nfs/dbraw/zinc/80/21/43/345802143.db2.gz ZPMSZGUSFULHJB-DJAYFPKFSA-N 1 3 184.283 0.632 10 0 ACAEHO [NH3+][C@H]1CCCN([C@@H]2CCOC2)CC1 307086727 345802269 /nfs/dbraw/zinc/80/22/69/345802269.db2.gz ZDQVBENPHYNSBY-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1NC1CC([NH3+])C1 307087113 345802308 /nfs/dbraw/zinc/80/23/08/345802308.db2.gz ZPMSZGUSFULHJB-ACLMFKJJSA-N 1 3 184.283 0.632 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC([NH3+])C2)[C@@H](C)O1 307087117 345802536 /nfs/dbraw/zinc/80/25/36/345802536.db2.gz ZPMSZGUSFULHJB-ZDJSQJGASA-N 1 3 184.283 0.632 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC([NH3+])C2)[C@@H](C)O1 307087116 345802542 /nfs/dbraw/zinc/80/25/42/345802542.db2.gz ZPMSZGUSFULHJB-IGLXGICUSA-N 1 3 184.283 0.632 10 0 ACAEHO C[C@@H]1NCCC[C@]1(O)[C@@H]1C=CC[NH2+]1 307093601 345806424 /nfs/dbraw/zinc/80/64/24/345806424.db2.gz SRVDIGSWCYCGDK-LPEHRKFASA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@]1(O)[C@@H]1C=CCN1 307093601 345806428 /nfs/dbraw/zinc/80/64/28/345806428.db2.gz SRVDIGSWCYCGDK-LPEHRKFASA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1NCCC[C@@]1(O)[C@@H]1C=CC[NH2+]1 307093597 345806555 /nfs/dbraw/zinc/80/65/55/345806555.db2.gz SRVDIGSWCYCGDK-GUBZILKMSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@@]1(O)[C@@H]1C=CCN1 307093597 345806556 /nfs/dbraw/zinc/80/65/56/345806556.db2.gz SRVDIGSWCYCGDK-GUBZILKMSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1NCCC[C@@]1(O)[C@H]1C=CC[NH2+]1 307093596 345806559 /nfs/dbraw/zinc/80/65/59/345806559.db2.gz SRVDIGSWCYCGDK-AEJSXWLSSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@@]1(O)[C@H]1C=CCN1 307093596 345806561 /nfs/dbraw/zinc/80/65/61/345806561.db2.gz SRVDIGSWCYCGDK-AEJSXWLSSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1NCCC[C@]1(O)[C@H]1C=CC[NH2+]1 307093599 345806669 /nfs/dbraw/zinc/80/66/69/345806669.db2.gz SRVDIGSWCYCGDK-IVZWLZJFSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@]1(O)[C@H]1C=CCN1 307093599 345806670 /nfs/dbraw/zinc/80/66/70/345806670.db2.gz SRVDIGSWCYCGDK-IVZWLZJFSA-N 1 3 182.267 0.017 10 0 ACAEHO [NH3+]C1(CCN2CC=CC2)CC1 307095166 345807118 /nfs/dbraw/zinc/80/71/18/345807118.db2.gz UBUWJQHSPXSOCF-UHFFFAOYSA-N 1 3 152.241 0.740 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 307099405 345808887 /nfs/dbraw/zinc/80/88/87/345808887.db2.gz WUCBVFXGEUDADG-MXWKQRLJSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 307099405 345808889 /nfs/dbraw/zinc/80/88/89/345808889.db2.gz WUCBVFXGEUDADG-MXWKQRLJSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@@H]2CN(C)CC[C@H]2C1 307099407 345809200 /nfs/dbraw/zinc/80/92/00/345809200.db2.gz WUCBVFXGEUDADG-VWYCJHECSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@@H]2CN(C)CC[C@H]2C1 307099407 345809202 /nfs/dbraw/zinc/80/92/02/345809202.db2.gz WUCBVFXGEUDADG-VWYCJHECSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@H]2CCN(C)C[C@@H]2C1 307099404 345809309 /nfs/dbraw/zinc/80/93/09/345809309.db2.gz WUCBVFXGEUDADG-GMTAPVOTSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@H]2CCN(C)C[C@@H]2C1 307099404 345809313 /nfs/dbraw/zinc/80/93/13/345809313.db2.gz WUCBVFXGEUDADG-GMTAPVOTSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 307099406 345809389 /nfs/dbraw/zinc/80/93/89/345809389.db2.gz WUCBVFXGEUDADG-OUAUKWLOSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 307099406 345809391 /nfs/dbraw/zinc/80/93/91/345809391.db2.gz WUCBVFXGEUDADG-OUAUKWLOSA-N 1 3 198.310 0.251 10 0 ACAEHO CO[C@@]1(C)CCN(C2CC([NH3+])C2)C1 307113605 345817394 /nfs/dbraw/zinc/81/73/94/345817394.db2.gz RFLPKCPIWSYQGA-RTBKNWGFSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CC[C@@](O)([C@H]2C=CC[NH2+]2)CN1 307113844 345817407 /nfs/dbraw/zinc/81/74/07/345817407.db2.gz BCGYZLOGJCKKEB-BBBLOLIVSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1CC[C@@](O)([C@H]2C=CCN2)C[NH2+]1 307113844 345817410 /nfs/dbraw/zinc/81/74/10/345817410.db2.gz BCGYZLOGJCKKEB-BBBLOLIVSA-N 1 3 182.267 0.017 10 0 ACAEHO CO[C@]1(C)CCN(C2CC([NH3+])C2)C1 307113606 345817449 /nfs/dbraw/zinc/81/74/49/345817449.db2.gz RFLPKCPIWSYQGA-UDNWOFFPSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CC[C@](O)([C@@H]2C=CC[NH2+]2)CN1 307113845 345817521 /nfs/dbraw/zinc/81/75/21/345817521.db2.gz BCGYZLOGJCKKEB-KXUCPTDWSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1CC[C@](O)([C@@H]2C=CCN2)C[NH2+]1 307113845 345817523 /nfs/dbraw/zinc/81/75/23/345817523.db2.gz BCGYZLOGJCKKEB-KXUCPTDWSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1CC[C@](O)([C@H]2C=CC[NH2+]2)CN1 307113846 345817593 /nfs/dbraw/zinc/81/75/93/345817593.db2.gz BCGYZLOGJCKKEB-OPRDCNLKSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1CC[C@](O)([C@H]2C=CCN2)C[NH2+]1 307113846 345817594 /nfs/dbraw/zinc/81/75/94/345817594.db2.gz BCGYZLOGJCKKEB-OPRDCNLKSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1CC[C@@](O)([C@@H]2C=CC[NH2+]2)CN1 307113847 345817600 /nfs/dbraw/zinc/81/76/00/345817600.db2.gz BCGYZLOGJCKKEB-UTLUCORTSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@H]1CC[C@@](O)([C@@H]2C=CCN2)C[NH2+]1 307113847 345817604 /nfs/dbraw/zinc/81/76/04/345817604.db2.gz BCGYZLOGJCKKEB-UTLUCORTSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@H](CO)[N@@H+]1CC[C@](C)(CN)C1 307116082 345818358 /nfs/dbraw/zinc/81/83/58/345818358.db2.gz XMVAJQYQCRAWNR-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CO)[N@H+]1CC[C@](C)(CN)C1 307116082 345818360 /nfs/dbraw/zinc/81/83/60/345818360.db2.gz XMVAJQYQCRAWNR-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CO)N1CC[C@](C)(C[NH3+])C1 307116082 345818362 /nfs/dbraw/zinc/81/83/62/345818362.db2.gz XMVAJQYQCRAWNR-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CO)[N@@H+]1CC[C@@](C)(CN)C1 307116081 345818385 /nfs/dbraw/zinc/81/83/85/345818385.db2.gz XMVAJQYQCRAWNR-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CO)[N@H+]1CC[C@@](C)(CN)C1 307116081 345818386 /nfs/dbraw/zinc/81/83/86/345818386.db2.gz XMVAJQYQCRAWNR-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CO)N1CC[C@@](C)(C[NH3+])C1 307116081 345818387 /nfs/dbraw/zinc/81/83/87/345818387.db2.gz XMVAJQYQCRAWNR-IUCAKERBSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CO)[N@@H+]1CC[C@@](C)(CN)C1 307116079 345818426 /nfs/dbraw/zinc/81/84/26/345818426.db2.gz XMVAJQYQCRAWNR-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CO)[N@H+]1CC[C@@](C)(CN)C1 307116079 345818428 /nfs/dbraw/zinc/81/84/28/345818428.db2.gz XMVAJQYQCRAWNR-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H](CO)N1CC[C@@](C)(C[NH3+])C1 307116079 345818431 /nfs/dbraw/zinc/81/84/31/345818431.db2.gz XMVAJQYQCRAWNR-BDAKNGLRSA-N 1 3 172.272 0.038 10 0 ACAEHO CO[C@@]1(C)CCN(CC2C[NH2+]C2)C1 307115429 345818457 /nfs/dbraw/zinc/81/84/57/345818457.db2.gz UHEIDXWCZOCWCV-JTQLQIEISA-N 1 3 184.283 0.317 10 0 ACAEHO CO[C@@]1(C)CC[N@H+](CC2CNC2)C1 307115429 345818459 /nfs/dbraw/zinc/81/84/59/345818459.db2.gz UHEIDXWCZOCWCV-JTQLQIEISA-N 1 3 184.283 0.317 10 0 ACAEHO CO[C@@]1(C)CC[N@@H+](CC2CNC2)C1 307115429 345818462 /nfs/dbraw/zinc/81/84/62/345818462.db2.gz UHEIDXWCZOCWCV-JTQLQIEISA-N 1 3 184.283 0.317 10 0 ACAEHO CO[C@]1(C)CCN(CC2C[NH2+]C2)C1 307115430 345818668 /nfs/dbraw/zinc/81/86/68/345818668.db2.gz UHEIDXWCZOCWCV-SNVBAGLBSA-N 1 3 184.283 0.317 10 0 ACAEHO CO[C@]1(C)CC[N@H+](CC2CNC2)C1 307115430 345818671 /nfs/dbraw/zinc/81/86/71/345818671.db2.gz UHEIDXWCZOCWCV-SNVBAGLBSA-N 1 3 184.283 0.317 10 0 ACAEHO CO[C@]1(C)CC[N@@H+](CC2CNC2)C1 307115430 345818674 /nfs/dbraw/zinc/81/86/74/345818674.db2.gz UHEIDXWCZOCWCV-SNVBAGLBSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H](CO)[N@@H+]1CC[C@](C)(CN)C1 307116080 345818761 /nfs/dbraw/zinc/81/87/61/345818761.db2.gz XMVAJQYQCRAWNR-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H](CO)N1CC[C@](C)(C[NH3+])C1 307116080 345818767 /nfs/dbraw/zinc/81/87/67/345818767.db2.gz XMVAJQYQCRAWNR-DTWKUNHWSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1COCCC[N@@H+]1CC1(N)CC1 307121528 345821640 /nfs/dbraw/zinc/82/16/40/345821640.db2.gz JKOXGIMKQUMDJY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@H]1COCCC[N@H+]1CC1(N)CC1 307121528 345821643 /nfs/dbraw/zinc/82/16/43/345821643.db2.gz JKOXGIMKQUMDJY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H]1COCCC[N@@H+]1CC1(N)CC1 307121529 345821711 /nfs/dbraw/zinc/82/17/11/345821711.db2.gz JKOXGIMKQUMDJY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H]1COCCC[N@H+]1CC1(N)CC1 307121529 345821713 /nfs/dbraw/zinc/82/17/13/345821713.db2.gz JKOXGIMKQUMDJY-VIFPVBQESA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H](CO)N1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 307132779 345828509 /nfs/dbraw/zinc/82/85/09/345828509.db2.gz LXRCRPJXSAQUQN-KXUCPTDWSA-N 1 3 198.310 0.297 10 0 ACAEHO C[C@H](CO)N1C[C@H]2C[NH2+]C[C@H]2C1(C)C 307132780 345828779 /nfs/dbraw/zinc/82/87/79/345828779.db2.gz LXRCRPJXSAQUQN-OPRDCNLKSA-N 1 3 198.310 0.297 10 0 ACAEHO C[C@H](CO)N1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 307132781 345828789 /nfs/dbraw/zinc/82/87/89/345828789.db2.gz LXRCRPJXSAQUQN-UTLUCORTSA-N 1 3 198.310 0.297 10 0 ACAEHO C[C@H](CO)N1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 307132492 345828861 /nfs/dbraw/zinc/82/88/61/345828861.db2.gz LXRCRPJXSAQUQN-BBBLOLIVSA-N 1 3 198.310 0.297 10 0 ACAEHO NC1CC([N@@H+]2CCC[C@@H](O)CC2)C1 307135737 345830667 /nfs/dbraw/zinc/83/06/67/345830667.db2.gz RPORZNORWPOHHN-UDNWOFFPSA-N 1 3 184.283 0.323 10 0 ACAEHO NC1CC([N@H+]2CCC[C@@H](O)CC2)C1 307135737 345830669 /nfs/dbraw/zinc/83/06/69/345830669.db2.gz RPORZNORWPOHHN-UDNWOFFPSA-N 1 3 184.283 0.323 10 0 ACAEHO NC1CC([N@@H+]2CCC[C@H](O)CC2)C1 307135736 345830768 /nfs/dbraw/zinc/83/07/68/345830768.db2.gz RPORZNORWPOHHN-RTBKNWGFSA-N 1 3 184.283 0.323 10 0 ACAEHO NC1CC([N@H+]2CCC[C@H](O)CC2)C1 307135736 345830772 /nfs/dbraw/zinc/83/07/72/345830772.db2.gz RPORZNORWPOHHN-RTBKNWGFSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1N1CC=CC1 307152153 345844953 /nfs/dbraw/zinc/84/49/53/345844953.db2.gz XEHJXKHXHGJLQT-UWVGGRQHSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH+]1CC=CC1 307152153 345844956 /nfs/dbraw/zinc/84/49/56/345844956.db2.gz XEHJXKHXHGJLQT-UWVGGRQHSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH+]1CC=CC1 307152155 345845221 /nfs/dbraw/zinc/84/52/21/345845221.db2.gz XEHJXKHXHGJLQT-ZJUUUORDSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N1CC=CC1 307152155 345845217 /nfs/dbraw/zinc/84/52/17/345845217.db2.gz XEHJXKHXHGJLQT-ZJUUUORDSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1N1CC=CC1 307152154 345845255 /nfs/dbraw/zinc/84/52/55/345845255.db2.gz XEHJXKHXHGJLQT-VHSXEESVSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH+]1CC=CC1 307152154 345845257 /nfs/dbraw/zinc/84/52/57/345845257.db2.gz XEHJXKHXHGJLQT-VHSXEESVSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N1CC=CC1 307152152 345845311 /nfs/dbraw/zinc/84/53/11/345845311.db2.gz XEHJXKHXHGJLQT-NXEZZACHSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH+]1CC=CC1 307152152 345845313 /nfs/dbraw/zinc/84/53/13/345845313.db2.gz XEHJXKHXHGJLQT-NXEZZACHSA-N 1 3 166.268 0.856 10 0 ACAEHO C[C@H](N)[C@@](C)(O)[C@@H]1CCCC[NH2+]1 307154485 345847138 /nfs/dbraw/zinc/84/71/38/345847138.db2.gz KWVQQCSNMMIIRQ-XHNCKOQMSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](N)[C@@](C)(O)[C@H]1CCCC[NH2+]1 307154484 345847090 /nfs/dbraw/zinc/84/70/90/345847090.db2.gz KWVQQCSNMMIIRQ-DJLDLDEBSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H]([NH3+])[C@@](C)(O)[C@H]1CCCCN1 307154484 345847092 /nfs/dbraw/zinc/84/70/92/345847092.db2.gz KWVQQCSNMMIIRQ-DJLDLDEBSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](N)[C@](C)(O)[C@@H]1CCCC[NH2+]1 307154482 345847112 /nfs/dbraw/zinc/84/71/12/345847112.db2.gz KWVQQCSNMMIIRQ-CIUDSAMLSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H]([NH3+])[C@](C)(O)[C@@H]1CCCCN1 307154482 345847115 /nfs/dbraw/zinc/84/71/15/345847115.db2.gz KWVQQCSNMMIIRQ-CIUDSAMLSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](N)[C@](C)(O)[C@H]1CCCC[NH2+]1 307154487 345847314 /nfs/dbraw/zinc/84/73/14/345847314.db2.gz KWVQQCSNMMIIRQ-YIZRAAEISA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H]([NH3+])[C@](C)(O)[C@H]1CCCCN1 307154487 345847315 /nfs/dbraw/zinc/84/73/15/345847315.db2.gz KWVQQCSNMMIIRQ-YIZRAAEISA-N 1 3 172.272 0.227 10 0 ACAEHO [NH3+][C@@H]1CCCN([C@H]2CCCOC2)CC1 307166342 345858300 /nfs/dbraw/zinc/85/83/00/345858300.db2.gz OTOUKUNFAYHNNN-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@H]1CCCN([C@H]2CCCOC2)CC1 307166343 345858354 /nfs/dbraw/zinc/85/83/54/345858354.db2.gz OTOUKUNFAYHNNN-QWRGUYRKSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@H]1CCCN([C@@H]2CCCOC2)CC1 307166344 345858376 /nfs/dbraw/zinc/85/83/76/345858376.db2.gz OTOUKUNFAYHNNN-WDEREUQCSA-N 1 3 198.310 0.979 10 0 ACAEHO [NH3+][C@@H]1CCCN([C@@H]2CCCOC2)CC1 307166341 345858462 /nfs/dbraw/zinc/85/84/62/345858462.db2.gz OTOUKUNFAYHNNN-GHMZBOCLSA-N 1 3 198.310 0.979 10 0 ACAEHO C[C@@H]1COCC[N@@H+]([C@H](C)[C@@H](C)N)C1 307172662 345864134 /nfs/dbraw/zinc/86/41/34/345864134.db2.gz QEGKQJIYNUPGGZ-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@H+]([C@H](C)[C@@H](C)N)C1 307172662 345864138 /nfs/dbraw/zinc/86/41/38/345864138.db2.gz QEGKQJIYNUPGGZ-IVZWLZJFSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@@H+]([C@@H](C)[C@@H](C)N)C1 307172660 345864208 /nfs/dbraw/zinc/86/42/08/345864208.db2.gz QEGKQJIYNUPGGZ-AEJSXWLSSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@H+]([C@@H](C)[C@@H](C)N)C1 307172660 345864212 /nfs/dbraw/zinc/86/42/12/345864212.db2.gz QEGKQJIYNUPGGZ-AEJSXWLSSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@@H+]([C@H](C)[C@H](C)N)C1 307172663 345864413 /nfs/dbraw/zinc/86/44/13/345864413.db2.gz QEGKQJIYNUPGGZ-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@H+]([C@H](C)[C@H](C)N)C1 307172663 345864415 /nfs/dbraw/zinc/86/44/15/345864415.db2.gz QEGKQJIYNUPGGZ-LPEHRKFASA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@@H+]([C@@H](C)[C@H](C)N)C1 307172661 345864447 /nfs/dbraw/zinc/86/44/47/345864447.db2.gz QEGKQJIYNUPGGZ-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1COCC[N@H+]([C@@H](C)[C@H](C)N)C1 307172661 345864448 /nfs/dbraw/zinc/86/44/48/345864448.db2.gz QEGKQJIYNUPGGZ-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@H]1CCN1CC1(C[NH3+])CC1 307187338 345875062 /nfs/dbraw/zinc/87/50/62/345875062.db2.gz OSXKOMIFNOAWSV-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]1CC[N@@H+]1CC1(CN)CC1 307187338 345875063 /nfs/dbraw/zinc/87/50/63/345875063.db2.gz OSXKOMIFNOAWSV-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CNC1(C[NH3+])CC(C)(C)C1 307184087 345872574 /nfs/dbraw/zinc/87/25/74/345872574.db2.gz ZWVJOKWKCAUMFD-UHFFFAOYSA-N 1 3 142.246 0.723 10 0 ACAEHO CC1(C)C[NH+](C[C@@H]2COC[C@H]2N)C1 307186152 345874159 /nfs/dbraw/zinc/87/41/59/345874159.db2.gz UBTAVQIUYVZSCO-RKDXNWHRSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1(C)C[NH+](C[C@H]2COC[C@@H]2N)C1 307186151 345874446 /nfs/dbraw/zinc/87/44/46/345874446.db2.gz UBTAVQIUYVZSCO-IUCAKERBSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1(C)C[NH+](C[C@@H]2COC[C@@H]2N)C1 307186149 345874456 /nfs/dbraw/zinc/87/44/56/345874456.db2.gz UBTAVQIUYVZSCO-BDAKNGLRSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1(C)C[NH+](C[C@H]2COC[C@H]2N)C1 307186150 345874531 /nfs/dbraw/zinc/87/45/31/345874531.db2.gz UBTAVQIUYVZSCO-DTWKUNHWSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1CCN1CC1(C[NH3+])CC1 307187337 345875001 /nfs/dbraw/zinc/87/50/01/345875001.db2.gz OSXKOMIFNOAWSV-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H]1CC[N@@H+]1CC1(CN)CC1 307187337 345875003 /nfs/dbraw/zinc/87/50/03/345875003.db2.gz OSXKOMIFNOAWSV-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H]1CC[N@H+]1CC1(CN)CC1 307187337 345875005 /nfs/dbraw/zinc/87/50/05/345875005.db2.gz OSXKOMIFNOAWSV-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]1CC[N@H+]1CC1(CN)CC1 307187338 345875065 /nfs/dbraw/zinc/87/50/65/345875065.db2.gz OSXKOMIFNOAWSV-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)CN1CC=CC1 307193048 345878376 /nfs/dbraw/zinc/87/83/76/345878376.db2.gz NAOFZSJBLDSMRI-BDAKNGLRSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H](CN1CC=CC1)[C@@H](C)[NH3+] 307193050 345878542 /nfs/dbraw/zinc/87/85/42/345878542.db2.gz NAOFZSJBLDSMRI-DTWKUNHWSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H]([NH3+])[C@H](C)CN1CC=CC1 307193053 345879121 /nfs/dbraw/zinc/87/91/21/345879121.db2.gz NAOFZSJBLDSMRI-RKDXNWHRSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)CN1CC=CC1 307193052 345879252 /nfs/dbraw/zinc/87/92/52/345879252.db2.gz NAOFZSJBLDSMRI-IUCAKERBSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@](O)([C@@H]1C=CCN1)[C@H]1CCC[NH2+]1 307198589 345883429 /nfs/dbraw/zinc/88/34/29/345883429.db2.gz VOKPMSYUMSMERK-AEJSXWLSSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@](O)([C@@H]1C=CCN1)[C@@H]1CCC[NH2+]1 307198591 345883479 /nfs/dbraw/zinc/88/34/79/345883479.db2.gz VOKPMSYUMSMERK-GUBZILKMSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@@](O)([C@@H]1CCC[NH2+]1)[C@H]1C=CCN1 307198592 345883713 /nfs/dbraw/zinc/88/37/13/345883713.db2.gz VOKPMSYUMSMERK-UTLUCORTSA-N 1 3 182.267 0.017 10 0 ACAEHO C[C@](O)([C@H]1C=CCN1)[C@H]1CCC[NH2+]1 307198590 345883913 /nfs/dbraw/zinc/88/39/13/345883913.db2.gz VOKPMSYUMSMERK-BBBLOLIVSA-N 1 3 182.267 0.017 10 0 ACAEHO CC[C@@H]1CN(C2CC([NH3+])C2)C[C@@H]1O 307200760 345885647 /nfs/dbraw/zinc/88/56/47/345885647.db2.gz ZGRDQIRUNHOZSJ-WOOKNIGNSA-N 1 3 184.283 0.179 10 0 ACAEHO CC[C@H]1CN(C2CC([NH3+])C2)C[C@H]1O 307200753 345885744 /nfs/dbraw/zinc/88/57/44/345885744.db2.gz ZGRDQIRUNHOZSJ-AUXWQGHOSA-N 1 3 184.283 0.179 10 0 ACAEHO CC[C@@H]1CN(C2CC([NH3+])C2)C[C@H]1O 307200757 345885937 /nfs/dbraw/zinc/88/59/37/345885937.db2.gz ZGRDQIRUNHOZSJ-SEZDTBSWSA-N 1 3 184.283 0.179 10 0 ACAEHO CC[C@H]1CN(C2CC([NH3+])C2)C[C@@H]1O 307200755 345885987 /nfs/dbraw/zinc/88/59/87/345885987.db2.gz ZGRDQIRUNHOZSJ-NFTFJBJSSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1CC(C)(C)O 307206228 345889977 /nfs/dbraw/zinc/88/99/77/345889977.db2.gz HKOICWDUJHMQCI-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1CC(C)(C)O 307206228 345889979 /nfs/dbraw/zinc/88/99/79/345889979.db2.gz HKOICWDUJHMQCI-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@H](C)NC1 307210630 345893212 /nfs/dbraw/zinc/89/32/12/345893212.db2.gz MNZGWAMDSKOTMG-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+]C[C@@H]1CC[C@@H](C)NC1 307210628 345893399 /nfs/dbraw/zinc/89/33/99/345893399.db2.gz MNZGWAMDSKOTMG-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+]C[C@H]1CC[C@H](C)NC1 307210629 345893505 /nfs/dbraw/zinc/89/35/05/345893505.db2.gz MNZGWAMDSKOTMG-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N1C[C@H]2C[C@H]2C1 307216019 345897004 /nfs/dbraw/zinc/89/70/04/345897004.db2.gz FFLACOGCMSJFOU-XSPKLOCKSA-N 1 3 154.257 0.674 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N1C[C@H]2C[C@H]2C1 307216018 345897330 /nfs/dbraw/zinc/89/73/30/345897330.db2.gz FFLACOGCMSJFOU-UYXSQOIJSA-N 1 3 154.257 0.674 10 0 ACAEHO CCN1CC[C@@]2(C[NH+]=C(N)N2CC)C1 307230944 345907584 /nfs/dbraw/zinc/90/75/84/345907584.db2.gz OCJXCDGYPCDUOG-SNVBAGLBSA-N 1 3 196.298 0.101 10 0 ACAEHO C[NH2+]C[C@H]1CCCN[C@@H]1C 307230742 345907729 /nfs/dbraw/zinc/90/77/29/345907729.db2.gz ARLRXIRIPDXSAB-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@H]1CCC[NH2+][C@@H]1C 307230742 345907733 /nfs/dbraw/zinc/90/77/33/345907733.db2.gz ARLRXIRIPDXSAB-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+]C[C@@H]1CCCN[C@H]1C 307230770 345907814 /nfs/dbraw/zinc/90/78/14/345907814.db2.gz ARLRXIRIPDXSAB-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@@H]1CCC[NH2+][C@H]1C 307230770 345907816 /nfs/dbraw/zinc/90/78/16/345907816.db2.gz ARLRXIRIPDXSAB-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CCN1CC[C@]2(C[NH+]=C(N)N2CC)C1 307230943 345907853 /nfs/dbraw/zinc/90/78/53/345907853.db2.gz OCJXCDGYPCDUOG-JTQLQIEISA-N 1 3 196.298 0.101 10 0 ACAEHO C[NH2+]C[C@@H]1CCCN[C@@H]1C 307230762 345908018 /nfs/dbraw/zinc/90/80/18/345908018.db2.gz ARLRXIRIPDXSAB-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@@H]1CCC[NH2+][C@@H]1C 307230762 345908022 /nfs/dbraw/zinc/90/80/22/345908022.db2.gz ARLRXIRIPDXSAB-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+]C[C@H]1CCCN[C@H]1C 307230752 345908047 /nfs/dbraw/zinc/90/80/47/345908047.db2.gz ARLRXIRIPDXSAB-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@H]1CCC[NH2+][C@H]1C 307230752 345908049 /nfs/dbraw/zinc/90/80/49/345908049.db2.gz ARLRXIRIPDXSAB-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO CN1CC[C@H]2CC[C@@H](C1)N2C(N)=[NH2+] 307232906 345909775 /nfs/dbraw/zinc/90/97/75/345909775.db2.gz LVFLFKJUMYWNIU-SFYZADRCSA-N 1 3 182.271 0.048 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@H](O)CC1 307234098 345910799 /nfs/dbraw/zinc/91/07/99/345910799.db2.gz FDIXPVKJSXHQGR-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@H](O)CC1 307234098 345910803 /nfs/dbraw/zinc/91/08/03/345910803.db2.gz FDIXPVKJSXHQGR-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC[C@H](O)CC1 307234098 345910804 /nfs/dbraw/zinc/91/08/04/345910804.db2.gz FDIXPVKJSXHQGR-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1CCC[C@@H](O)CC1 307234099 345910817 /nfs/dbraw/zinc/91/08/17/345910817.db2.gz FDIXPVKJSXHQGR-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+]1CCC[C@@H](O)CC1 307234099 345910819 /nfs/dbraw/zinc/91/08/19/345910819.db2.gz FDIXPVKJSXHQGR-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC[C@@H](O)CC1 307234099 345910820 /nfs/dbraw/zinc/91/08/20/345910820.db2.gz FDIXPVKJSXHQGR-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 307234311 345910869 /nfs/dbraw/zinc/91/08/69/345910869.db2.gz RTRYXOOOILYVJM-BBBLOLIVSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CC[C@@H](O)C1 307234311 345910871 /nfs/dbraw/zinc/91/08/71/345910871.db2.gz RTRYXOOOILYVJM-BBBLOLIVSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N1CC[C@@H](O)C1 307234311 345910873 /nfs/dbraw/zinc/91/08/73/345910873.db2.gz RTRYXOOOILYVJM-BBBLOLIVSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CCC[C@H](O)CC1 307234100 345910898 /nfs/dbraw/zinc/91/08/98/345910898.db2.gz FDIXPVKJSXHQGR-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[N@H+]1CCC[C@H](O)CC1 307234100 345910900 /nfs/dbraw/zinc/91/09/00/345910900.db2.gz FDIXPVKJSXHQGR-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC[C@H](O)CC1 307234100 345910903 /nfs/dbraw/zinc/91/09/03/345910903.db2.gz FDIXPVKJSXHQGR-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CCC[C@@H](O)CC1 307234097 345910921 /nfs/dbraw/zinc/91/09/21/345910921.db2.gz FDIXPVKJSXHQGR-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CN)C[N@H+]1CCC[C@@H](O)CC1 307234097 345910923 /nfs/dbraw/zinc/91/09/23/345910923.db2.gz FDIXPVKJSXHQGR-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC[C@@H](O)CC1 307234097 345910926 /nfs/dbraw/zinc/91/09/26/345910926.db2.gz FDIXPVKJSXHQGR-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H]1COCC[C@H]1N(C)C1CC([NH3+])C1 307234358 345910950 /nfs/dbraw/zinc/91/09/50/345910950.db2.gz FHBWRGYWWIBMLP-IDWGSYCQSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1COCC[C@@H]1N(C)C1CC([NH3+])C1 307234370 345910971 /nfs/dbraw/zinc/91/09/71/345910971.db2.gz FHBWRGYWWIBMLP-SFXRXQKFSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CC[C@H](O)C1 307234312 345911056 /nfs/dbraw/zinc/91/10/56/345911056.db2.gz RTRYXOOOILYVJM-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CC[C@H](O)C1 307234312 345911059 /nfs/dbraw/zinc/91/10/59/345911059.db2.gz RTRYXOOOILYVJM-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N1CC[C@H](O)C1 307234312 345911060 /nfs/dbraw/zinc/91/10/60/345911060.db2.gz RTRYXOOOILYVJM-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1COCC[C@@H]1N(C)C1CC([NH3+])C1 307234364 345911119 /nfs/dbraw/zinc/91/11/19/345911119.db2.gz FHBWRGYWWIBMLP-PMUOWJKOSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1CC[C@H](O)C1 307234314 345911176 /nfs/dbraw/zinc/91/11/76/345911176.db2.gz RTRYXOOOILYVJM-UTLUCORTSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1CC[C@H](O)C1 307234314 345911178 /nfs/dbraw/zinc/91/11/78/345911178.db2.gz RTRYXOOOILYVJM-UTLUCORTSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N1CC[C@H](O)C1 307234314 345911182 /nfs/dbraw/zinc/91/11/82/345911182.db2.gz RTRYXOOOILYVJM-UTLUCORTSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1CC[C@@H](O)C1 307234313 345911191 /nfs/dbraw/zinc/91/11/91/345911191.db2.gz RTRYXOOOILYVJM-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@H+]1CC[C@@H](O)C1 307234313 345911195 /nfs/dbraw/zinc/91/11/95/345911195.db2.gz RTRYXOOOILYVJM-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N1CC[C@@H](O)C1 307234313 345911198 /nfs/dbraw/zinc/91/11/98/345911198.db2.gz RTRYXOOOILYVJM-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1COCC[C@H]1N(C)C1CC([NH3+])C1 307234351 345911215 /nfs/dbraw/zinc/91/12/15/345911215.db2.gz FHBWRGYWWIBMLP-AGVGLQIMSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1CCCC[C@@]1(C[NH3+])C1(O)CNC1 307235766 345911968 /nfs/dbraw/zinc/91/19/68/345911968.db2.gz FQEBGZRYUVYCJA-ZJUUUORDSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@@H]1CCCC[C@]1(C[NH3+])C1(O)CNC1 307235763 345912001 /nfs/dbraw/zinc/91/20/01/345912001.db2.gz FQEBGZRYUVYCJA-NXEZZACHSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@H]1CCCC[C@]1(C[NH3+])C1(O)CNC1 307235765 345912004 /nfs/dbraw/zinc/91/20/04/345912004.db2.gz FQEBGZRYUVYCJA-VHSXEESVSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@H]1CCCC[C@@]1(C[NH3+])C1(O)CNC1 307235764 345912236 /nfs/dbraw/zinc/91/22/36/345912236.db2.gz FQEBGZRYUVYCJA-UWVGGRQHSA-N 1 3 198.310 0.476 10 0 ACAEHO C[C@@H]1CC[C@@](O)([C@@H]2CCC[NH2+]2)CN1 307238271 345913996 /nfs/dbraw/zinc/91/39/96/345913996.db2.gz YVRRDBZRCGKJJV-UTLUCORTSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)Nc1nccn1C 307237968 345914002 /nfs/dbraw/zinc/91/40/02/345914002.db2.gz OPFFHBYUKKMSFS-BQBZGAKWSA-N 1 3 168.244 0.568 10 0 ACAEHO C[C@H](Nc1nccn1C)[C@@H](C)[NH3+] 307237971 345914079 /nfs/dbraw/zinc/91/40/79/345914079.db2.gz OPFFHBYUKKMSFS-RQJHMYQMSA-N 1 3 168.244 0.568 10 0 ACAEHO C[C@@H]1CC[C@](O)([C@H]2CCC[NH2+]2)CN1 307238269 345914183 /nfs/dbraw/zinc/91/41/83/345914183.db2.gz YVRRDBZRCGKJJV-OPRDCNLKSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)Nc1nccn1C 307237969 345914194 /nfs/dbraw/zinc/91/41/94/345914194.db2.gz OPFFHBYUKKMSFS-NKWVEPMBSA-N 1 3 168.244 0.568 10 0 ACAEHO C[C@@H]([NH3+])[C@@H](C)Nc1nccn1C 307237970 345914210 /nfs/dbraw/zinc/91/42/10/345914210.db2.gz OPFFHBYUKKMSFS-RNFRBKRXSA-N 1 3 168.244 0.568 10 0 ACAEHO C[C@@H]1CC[C@@](O)([C@H]2CCC[NH2+]2)CN1 307238264 345914376 /nfs/dbraw/zinc/91/43/76/345914376.db2.gz YVRRDBZRCGKJJV-BBBLOLIVSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@@H]1CC[C@](O)([C@@H]2CCC[NH2+]2)CN1 307238267 345914412 /nfs/dbraw/zinc/91/44/12/345914412.db2.gz YVRRDBZRCGKJJV-KXUCPTDWSA-N 1 3 184.283 0.241 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@H](O)[C@@H]1C 307241192 345916337 /nfs/dbraw/zinc/91/63/37/345916337.db2.gz IRAVPJCNYUVOCE-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@H](O)[C@@H]1C 307241192 345916338 /nfs/dbraw/zinc/91/63/38/345916338.db2.gz IRAVPJCNYUVOCE-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@@H](O)[C@@H]1C 307241189 345916468 /nfs/dbraw/zinc/91/64/68/345916468.db2.gz IRAVPJCNYUVOCE-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@@H](O)[C@@H]1C 307241189 345916470 /nfs/dbraw/zinc/91/64/70/345916470.db2.gz IRAVPJCNYUVOCE-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@H](O)[C@H]1C 307241191 345916588 /nfs/dbraw/zinc/91/65/88/345916588.db2.gz IRAVPJCNYUVOCE-QEYWKRMJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@H](O)[C@H]1C 307241191 345916589 /nfs/dbraw/zinc/91/65/89/345916589.db2.gz IRAVPJCNYUVOCE-QEYWKRMJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CCC[C@@H](O)[C@H]1C 307241190 345916610 /nfs/dbraw/zinc/91/66/10/345916610.db2.gz IRAVPJCNYUVOCE-AXTSPUMRSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CCC[C@@H](O)[C@H]1C 307241190 345916613 /nfs/dbraw/zinc/91/66/13/345916613.db2.gz IRAVPJCNYUVOCE-AXTSPUMRSA-N 1 3 186.299 0.567 10 0 ACAEHO C1[NH2+]CC1CN1C[C@H]2C[C@H]2C1 307241472 345916645 /nfs/dbraw/zinc/91/66/45/345916645.db2.gz RGQXULAHZNYDBS-DTORHVGOSA-N 1 3 152.241 0.158 10 0 ACAEHO C1NCC1C[N@H+]1C[C@H]2C[C@H]2C1 307241472 345916648 /nfs/dbraw/zinc/91/66/48/345916648.db2.gz RGQXULAHZNYDBS-DTORHVGOSA-N 1 3 152.241 0.158 10 0 ACAEHO C1NCC1C[N@@H+]1C[C@H]2C[C@H]2C1 307241472 345916650 /nfs/dbraw/zinc/91/66/50/345916650.db2.gz RGQXULAHZNYDBS-DTORHVGOSA-N 1 3 152.241 0.158 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@H]1CCCOCC1 307242472 345917095 /nfs/dbraw/zinc/91/70/95/345917095.db2.gz JKRVIVOEUSLQFT-YVNMAJEFSA-N 1 3 198.310 0.977 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@@H](C)NC1 307242135 345917101 /nfs/dbraw/zinc/91/71/01/345917101.db2.gz IIBZVXRGSFVRJA-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@@H]1CC[C@@H](C)[NH2+]C1 307242135 345917102 /nfs/dbraw/zinc/91/71/02/345917102.db2.gz IIBZVXRGSFVRJA-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@@H](C)NC1 307242133 345917116 /nfs/dbraw/zinc/91/71/16/345917116.db2.gz IIBZVXRGSFVRJA-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@H]1CC[C@@H](C)[NH2+]C1 307242133 345917118 /nfs/dbraw/zinc/91/71/18/345917118.db2.gz IIBZVXRGSFVRJA-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+]C[C@H]1CC[C@H](C)NC1 307242134 345917124 /nfs/dbraw/zinc/91/71/24/345917124.db2.gz IIBZVXRGSFVRJA-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@H]1CC[C@H](C)[NH2+]C1 307242134 345917127 /nfs/dbraw/zinc/91/71/27/345917127.db2.gz IIBZVXRGSFVRJA-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+]C[C@@H]1CC[C@H](C)NC1 307242136 345917159 /nfs/dbraw/zinc/91/71/59/345917159.db2.gz IIBZVXRGSFVRJA-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CNC[C@@H]1CC[C@H](C)[NH2+]C1 307242136 345917161 /nfs/dbraw/zinc/91/71/61/345917161.db2.gz IIBZVXRGSFVRJA-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@@H]1CCCOCC1 307242470 345917217 /nfs/dbraw/zinc/91/72/17/345917217.db2.gz JKRVIVOEUSLQFT-HSOILSAZSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@H+](C1CC(N)C1)[C@@H]1CCC[C@]1(C)O 307249412 345921507 /nfs/dbraw/zinc/92/15/07/345921507.db2.gz OKRJGYVTLNUIBH-LXKPXOPUSA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@@H+](C1CC(N)C1)[C@@H]1CCC[C@]1(C)O 307249412 345921510 /nfs/dbraw/zinc/92/15/10/345921510.db2.gz OKRJGYVTLNUIBH-LXKPXOPUSA-N 1 3 198.310 0.711 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@@H]1CCC[C@]1(C)O 307249412 345921512 /nfs/dbraw/zinc/92/15/12/345921512.db2.gz OKRJGYVTLNUIBH-LXKPXOPUSA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@H+](C1CC(N)C1)[C@H]1CCC[C@@]1(C)O 307249415 345921538 /nfs/dbraw/zinc/92/15/38/345921538.db2.gz OKRJGYVTLNUIBH-WFBLGPOFSA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@@H+](C1CC(N)C1)[C@H]1CCC[C@@]1(C)O 307249415 345921541 /nfs/dbraw/zinc/92/15/41/345921541.db2.gz OKRJGYVTLNUIBH-WFBLGPOFSA-N 1 3 198.310 0.711 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@H]1CCC[C@@]1(C)O 307249415 345921542 /nfs/dbraw/zinc/92/15/42/345921542.db2.gz OKRJGYVTLNUIBH-WFBLGPOFSA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@H+](C1CC(N)C1)[C@@H]1CCC[C@@]1(C)O 307249411 345921665 /nfs/dbraw/zinc/92/16/65/345921665.db2.gz OKRJGYVTLNUIBH-JPPWEJMLSA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@@H+](C1CC(N)C1)[C@@H]1CCC[C@@]1(C)O 307249411 345921667 /nfs/dbraw/zinc/92/16/67/345921667.db2.gz OKRJGYVTLNUIBH-JPPWEJMLSA-N 1 3 198.310 0.711 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@@H]1CCC[C@@]1(C)O 307249411 345921671 /nfs/dbraw/zinc/92/16/71/345921671.db2.gz OKRJGYVTLNUIBH-JPPWEJMLSA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@H+](C1CC(N)C1)[C@H]1CCC[C@]1(C)O 307249413 345921685 /nfs/dbraw/zinc/92/16/85/345921685.db2.gz OKRJGYVTLNUIBH-TVUZUIDESA-N 1 3 198.310 0.711 10 0 ACAEHO C[N@@H+](C1CC(N)C1)[C@H]1CCC[C@]1(C)O 307249413 345921687 /nfs/dbraw/zinc/92/16/87/345921687.db2.gz OKRJGYVTLNUIBH-TVUZUIDESA-N 1 3 198.310 0.711 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@H]1CCC[C@]1(C)O 307249413 345921689 /nfs/dbraw/zinc/92/16/89/345921689.db2.gz OKRJGYVTLNUIBH-TVUZUIDESA-N 1 3 198.310 0.711 10 0 ACAEHO CN(C)CC1C[NH+]([C@H]2CCC[C@H]2O)C1 307250819 345922479 /nfs/dbraw/zinc/92/24/79/345922479.db2.gz PYJKPAHWCSYQTC-WDEREUQCSA-N 1 3 198.310 0.393 10 0 ACAEHO CN(C)CC1C[NH+]([C@@H]2CCC[C@H]2O)C1 307250817 345922709 /nfs/dbraw/zinc/92/27/09/345922709.db2.gz PYJKPAHWCSYQTC-GHMZBOCLSA-N 1 3 198.310 0.393 10 0 ACAEHO C[C@@H]1CC[C@@]1(C[NH3+])N1CC(N(C)C)C1 307251927 345923573 /nfs/dbraw/zinc/92/35/73/345923573.db2.gz RBPHZVOVEIUOCP-KOLCDFICSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1CC[C@]1(C[NH3+])N1CC(N(C)C)C1 307251926 345923630 /nfs/dbraw/zinc/92/36/30/345923630.db2.gz RBPHZVOVEIUOCP-GXSJLCMTSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@@H]1CC[C@]1(C[NH3+])N1CC(N(C)C)C1 307251928 345923655 /nfs/dbraw/zinc/92/36/55/345923655.db2.gz RBPHZVOVEIUOCP-MWLCHTKSSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1CC[C@@]1(C[NH3+])N1CC(N(C)C)C1 307251929 345923791 /nfs/dbraw/zinc/92/37/91/345923791.db2.gz RBPHZVOVEIUOCP-ONGXEEELSA-N 1 3 197.326 0.360 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@@H]1CCOC1(C)C 307253805 345925115 /nfs/dbraw/zinc/92/51/15/345925115.db2.gz WFGXBMHIHMSLCX-UDNWOFFPSA-N 1 3 198.310 0.975 10 0 ACAEHO CN(C1CC([NH3+])C1)[C@H]1CCOC1(C)C 307253804 345925266 /nfs/dbraw/zinc/92/52/66/345925266.db2.gz WFGXBMHIHMSLCX-RTBKNWGFSA-N 1 3 198.310 0.975 10 0 ACAEHO C/C=C/CNC1CC([NH3+])C1 307254863 345926305 /nfs/dbraw/zinc/92/63/05/345926305.db2.gz YOVLOQAJOVRKIQ-NSCUHMNNSA-N 1 3 140.230 0.642 10 0 ACAEHO C[C@@H]1[C@@H](O)CCCN1C1CC([NH3+])C1 307255220 345926730 /nfs/dbraw/zinc/92/67/30/345926730.db2.gz ZEPSCZKPERNSGY-WOOKNIGNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1[C@H](O)CCCN1C1CC([NH3+])C1 307255217 345926809 /nfs/dbraw/zinc/92/68/09/345926809.db2.gz ZEPSCZKPERNSGY-AUXWQGHOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](O)CCCN1C1CC([NH3+])C1 307255219 345926817 /nfs/dbraw/zinc/92/68/17/345926817.db2.gz ZEPSCZKPERNSGY-SEZDTBSWSA-N 1 3 184.283 0.321 10 0 ACAEHO C[NH2+]C[C@H]1CNC[C@H](C)C1 307265400 345934342 /nfs/dbraw/zinc/93/43/42/345934342.db2.gz KIJZYRPGLFNEHB-SFYZADRCSA-N 1 3 142.246 0.451 10 0 ACAEHO CNC[C@H]1C[NH2+]C[C@H](C)C1 307265400 345934343 /nfs/dbraw/zinc/93/43/43/345934343.db2.gz KIJZYRPGLFNEHB-SFYZADRCSA-N 1 3 142.246 0.451 10 0 ACAEHO C[NH2+]C[C@H]1CNC[C@@H](C)C1 307265401 345934633 /nfs/dbraw/zinc/93/46/33/345934633.db2.gz KIJZYRPGLFNEHB-YUMQZZPRSA-N 1 3 142.246 0.451 10 0 ACAEHO CNC[C@H]1C[NH2+]C[C@@H](C)C1 307265401 345934637 /nfs/dbraw/zinc/93/46/37/345934637.db2.gz KIJZYRPGLFNEHB-YUMQZZPRSA-N 1 3 142.246 0.451 10 0 ACAEHO C[NH2+]C[C@@H]1CNC[C@H](C)C1 307265398 345934643 /nfs/dbraw/zinc/93/46/43/345934643.db2.gz KIJZYRPGLFNEHB-HTQZYQBOSA-N 1 3 142.246 0.451 10 0 ACAEHO CNC[C@@H]1C[NH2+]C[C@H](C)C1 307265398 345934646 /nfs/dbraw/zinc/93/46/46/345934646.db2.gz KIJZYRPGLFNEHB-HTQZYQBOSA-N 1 3 142.246 0.451 10 0 ACAEHO CCn1c(N)nc2c1CC[N@H+](C)C2 307273436 345939728 /nfs/dbraw/zinc/93/97/28/345939728.db2.gz JCHIALIBFXWFSP-UHFFFAOYSA-N 1 3 180.255 0.473 10 0 ACAEHO C1C[NH2+][C@H](CN2CCN3CC[C@H]2C3)C1 307276550 345942485 /nfs/dbraw/zinc/94/24/85/345942485.db2.gz WVOSGBFAIJCEAT-QWRGUYRKSA-N 1 3 195.310 0.128 10 0 ACAEHO CC[NH2+]C[C@@H]1C[C@H](C)N(C)C1 307279476 345943465 /nfs/dbraw/zinc/94/34/65/345943465.db2.gz XCXHGPVYYBIPPE-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[NH2+]C[C@@H]1C[C@@H](C)N(C)C1 307279474 345943540 /nfs/dbraw/zinc/94/35/40/345943540.db2.gz XCXHGPVYYBIPPE-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[NH2+]C[C@H]1C[C@@H](C)N(C)C1 307279477 345943561 /nfs/dbraw/zinc/94/35/61/345943561.db2.gz XCXHGPVYYBIPPE-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[NH2+]C[C@H]1C[C@H](C)N(C)C1 307279475 345943608 /nfs/dbraw/zinc/94/36/08/345943608.db2.gz XCXHGPVYYBIPPE-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC1(O)CN(C2CCC([NH3+])CC2)C1 307281834 345945449 /nfs/dbraw/zinc/94/54/49/345945449.db2.gz HRQLCLAOUTYEAI-UHFFFAOYSA-N 1 3 184.283 0.323 10 0 ACAEHO CCN[C@]1(C[NH3+])CSC[C@H]1C 307294555 345952450 /nfs/dbraw/zinc/95/24/50/345952450.db2.gz PAEVRYHZJFNHJS-HTQZYQBOSA-N 1 3 174.313 0.676 10 0 ACAEHO CCN[C@@]1(C[NH3+])CSC[C@H]1C 307294579 345952471 /nfs/dbraw/zinc/95/24/71/345952471.db2.gz PAEVRYHZJFNHJS-SFYZADRCSA-N 1 3 174.313 0.676 10 0 ACAEHO CCN[C@]1(C[NH3+])CSC[C@@H]1C 307294568 345952574 /nfs/dbraw/zinc/95/25/74/345952574.db2.gz PAEVRYHZJFNHJS-JGVFFNPUSA-N 1 3 174.313 0.676 10 0 ACAEHO CCN[C@@]1(C[NH3+])CSC[C@@H]1C 307294590 345952610 /nfs/dbraw/zinc/95/26/10/345952610.db2.gz PAEVRYHZJFNHJS-YUMQZZPRSA-N 1 3 174.313 0.676 10 0 ACAEHO CC1(C)[C@@H](O)CC[N@@H+]1C1CCNCC1 307299409 345954845 /nfs/dbraw/zinc/95/48/45/345954845.db2.gz YOAQYIUQCPWPIL-JTQLQIEISA-N 1 3 198.310 0.584 10 0 ACAEHO CC1(C)[C@@H](O)CC[N@H+]1C1CCNCC1 307299409 345954846 /nfs/dbraw/zinc/95/48/46/345954846.db2.gz YOAQYIUQCPWPIL-JTQLQIEISA-N 1 3 198.310 0.584 10 0 ACAEHO CC1(C)[C@H](O)CC[N@@H+]1C1CCNCC1 307299410 345954876 /nfs/dbraw/zinc/95/48/76/345954876.db2.gz YOAQYIUQCPWPIL-SNVBAGLBSA-N 1 3 198.310 0.584 10 0 ACAEHO CC1(C)[C@H](O)CC[N@H+]1C1CCNCC1 307299410 345954878 /nfs/dbraw/zinc/95/48/78/345954878.db2.gz YOAQYIUQCPWPIL-SNVBAGLBSA-N 1 3 198.310 0.584 10 0 ACAEHO N[C@]1(CO)CC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 307310771 345962992 /nfs/dbraw/zinc/96/29/92/345962992.db2.gz IPSVDBCSEHDJLS-LMLFDSFASA-N 1 3 196.294 0.180 10 0 ACAEHO N[C@]1(CO)CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 307310771 345962993 /nfs/dbraw/zinc/96/29/93/345962993.db2.gz IPSVDBCSEHDJLS-LMLFDSFASA-N 1 3 196.294 0.180 10 0 ACAEHO CC1C[NH+]([C@H]2CCNC[C@H]2C)C1 307316679 345966732 /nfs/dbraw/zinc/96/67/32/345966732.db2.gz NVWJLTQWNPLEQZ-ZJUUUORDSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN([C@@H]2CC[NH2+]C[C@H]2C)C1 307316675 345966630 /nfs/dbraw/zinc/96/66/30/345966630.db2.gz NVWJLTQWNPLEQZ-NXEZZACHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1C[NH+]([C@@H]2CCNC[C@H]2C)C1 307316675 345966634 /nfs/dbraw/zinc/96/66/34/345966634.db2.gz NVWJLTQWNPLEQZ-NXEZZACHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN([C@@H]2CC[NH2+]C[C@@H]2C)C1 307316678 345966647 /nfs/dbraw/zinc/96/66/47/345966647.db2.gz NVWJLTQWNPLEQZ-VHSXEESVSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1C[NH+]([C@@H]2CCNC[C@@H]2C)C1 307316678 345966651 /nfs/dbraw/zinc/96/66/51/345966651.db2.gz NVWJLTQWNPLEQZ-VHSXEESVSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN([C@H]2CC[NH2+]C[C@@H]2C)C1 307316677 345966689 /nfs/dbraw/zinc/96/66/89/345966689.db2.gz NVWJLTQWNPLEQZ-UWVGGRQHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1C[NH+]([C@H]2CCNC[C@@H]2C)C1 307316677 345966693 /nfs/dbraw/zinc/96/66/93/345966693.db2.gz NVWJLTQWNPLEQZ-UWVGGRQHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN([C@H]2CC[NH2+]C[C@H]2C)C1 307316679 345966730 /nfs/dbraw/zinc/96/67/30/345966730.db2.gz NVWJLTQWNPLEQZ-ZJUUUORDSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]1C[C@@H]1CCCO1 307318897 345967780 /nfs/dbraw/zinc/96/77/80/345967780.db2.gz RKHSQXRCAPXQJH-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]1C[C@@H]1CCCO1 307318897 345967783 /nfs/dbraw/zinc/96/77/83/345967783.db2.gz RKHSQXRCAPXQJH-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+]1C[C@@H]1CCCO1 307318894 345967873 /nfs/dbraw/zinc/96/78/73/345967873.db2.gz RKHSQXRCAPXQJH-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+]1C[C@@H]1CCCO1 307318894 345967875 /nfs/dbraw/zinc/96/78/75/345967875.db2.gz RKHSQXRCAPXQJH-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+]1C[C@H]1CCCO1 307318896 345967885 /nfs/dbraw/zinc/96/78/85/345967885.db2.gz RKHSQXRCAPXQJH-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+]1C[C@H]1CCCO1 307318896 345967887 /nfs/dbraw/zinc/96/78/87/345967887.db2.gz RKHSQXRCAPXQJH-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO CC[N@@H+]1CCc2c(nc(N)n2C)C1 307321010 345969268 /nfs/dbraw/zinc/96/92/68/345969268.db2.gz WFHXQFZAWBJXIH-UHFFFAOYSA-N 1 3 180.255 0.380 10 0 ACAEHO CC[N@H+]1CCc2c(nc(N)n2C)C1 307321010 345969271 /nfs/dbraw/zinc/96/92/71/345969271.db2.gz WFHXQFZAWBJXIH-UHFFFAOYSA-N 1 3 180.255 0.380 10 0 ACAEHO COC1CN(C2CCC([NH3+])CC2)C1 307321202 345969615 /nfs/dbraw/zinc/96/96/15/345969615.db2.gz QAVKZDNKNYAGKN-UHFFFAOYSA-N 1 3 184.283 0.587 10 0 ACAEHO Cn1ccnc1NCC1C[NH+](C)C1 307328283 345974312 /nfs/dbraw/zinc/97/43/12/345974312.db2.gz KCKWEVGXODIGBU-UHFFFAOYSA-N 1 3 180.255 0.394 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCC[C@@H](O)C1 307332370 345976445 /nfs/dbraw/zinc/97/64/45/345976445.db2.gz AFURRPPLHWTMHB-AATLWQCWSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCC[C@H](O)C1 307332386 345976484 /nfs/dbraw/zinc/97/64/84/345976484.db2.gz AFURRPPLHWTMHB-XKNYDFJKSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H](O)C1 307332380 345976527 /nfs/dbraw/zinc/97/65/27/345976527.db2.gz AFURRPPLHWTMHB-QEYWKRMJSA-N 1 3 186.299 0.615 10 0 ACAEHO N[C@@]1(C[NH3+])CCC[C@H]2C[C@H]21 307332236 345976536 /nfs/dbraw/zinc/97/65/36/345976536.db2.gz AAXSNTKMSQPRAJ-XLPZGREQSA-N 1 3 140.230 0.463 10 0 ACAEHO N[C@@]1(C[NH3+])CCC[C@@H]2C[C@@H]21 307332223 345976556 /nfs/dbraw/zinc/97/65/56/345976556.db2.gz AAXSNTKMSQPRAJ-GJMOJQLCSA-N 1 3 140.230 0.463 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H](O)C1 307332376 345976592 /nfs/dbraw/zinc/97/65/92/345976592.db2.gz AFURRPPLHWTMHB-AXTSPUMRSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@@H]2CCCOC2)C1 307335382 345978147 /nfs/dbraw/zinc/97/81/47/345978147.db2.gz MRVGPHFZHUJHLF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@@H]2CCCOC2)C1 307335382 345978150 /nfs/dbraw/zinc/97/81/50/345978150.db2.gz MRVGPHFZHUJHLF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@@H]2CCCOC2)C1 307335382 345978155 /nfs/dbraw/zinc/97/81/55/345978155.db2.gz MRVGPHFZHUJHLF-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[NH3+])CCN([C@@H]2CCCOC2)C1 307335383 345978320 /nfs/dbraw/zinc/97/83/20/345978320.db2.gz MRVGPHFZHUJHLF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+]([C@@H]2CCCOC2)C1 307335383 345978323 /nfs/dbraw/zinc/97/83/23/345978323.db2.gz MRVGPHFZHUJHLF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@H+]([C@@H]2CCCOC2)C1 307335383 345978326 /nfs/dbraw/zinc/97/83/26/345978326.db2.gz MRVGPHFZHUJHLF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(C[NH3+])CCN([C@H]2CCCOC2)C1 307335384 345978341 /nfs/dbraw/zinc/97/83/41/345978341.db2.gz MRVGPHFZHUJHLF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+]([C@H]2CCCOC2)C1 307335384 345978345 /nfs/dbraw/zinc/97/83/45/345978345.db2.gz MRVGPHFZHUJHLF-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@H]2CCCOC2)C1 307335386 345978498 /nfs/dbraw/zinc/97/84/98/345978498.db2.gz MRVGPHFZHUJHLF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@H]2CCCOC2)C1 307335386 345978500 /nfs/dbraw/zinc/97/85/00/345978500.db2.gz MRVGPHFZHUJHLF-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO CC[NH2+][C@@H]1[C@@H](C)CNC[C@H]1C 307338307 345980007 /nfs/dbraw/zinc/98/00/07/345980007.db2.gz QDZDQKRSBWFIAK-BRPSZJMVSA-N 1 3 156.273 0.840 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@H+]1C[C@H]2C[C@H]2C1 307341541 345982670 /nfs/dbraw/zinc/98/26/70/345982670.db2.gz VCNXTMZAEVQBMX-CHWFTXMASA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307341541 345982672 /nfs/dbraw/zinc/98/26/72/345982672.db2.gz VCNXTMZAEVQBMX-CHWFTXMASA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@H+]1C[C@H]2C[C@H]2C1 307341546 345982792 /nfs/dbraw/zinc/98/27/92/345982792.db2.gz VCNXTMZAEVQBMX-ZNSHCXBVSA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307341546 345982795 /nfs/dbraw/zinc/98/27/95/345982795.db2.gz VCNXTMZAEVQBMX-ZNSHCXBVSA-N 1 3 180.295 0.936 10 0 ACAEHO CNCC[N@@H+]1CC[C@@H](C)[C@@H]1C 307344114 345983605 /nfs/dbraw/zinc/98/36/05/345983605.db2.gz YMIMYULYNWMOGM-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@H+]1CC[C@@H](C)[C@@H]1C 307344114 345983607 /nfs/dbraw/zinc/98/36/07/345983607.db2.gz YMIMYULYNWMOGM-BDAKNGLRSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@@H+]1CC[C@H](C)[C@@H]1C 307344118 345983629 /nfs/dbraw/zinc/98/36/29/345983629.db2.gz YMIMYULYNWMOGM-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@H+]1CC[C@H](C)[C@@H]1C 307344118 345983631 /nfs/dbraw/zinc/98/36/31/345983631.db2.gz YMIMYULYNWMOGM-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@@H+]1CC[C@@H](C)[C@H]1C 307344120 345983656 /nfs/dbraw/zinc/98/36/56/345983656.db2.gz YMIMYULYNWMOGM-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@H+]1CC[C@@H](C)[C@H]1C 307344120 345983657 /nfs/dbraw/zinc/98/36/57/345983657.db2.gz YMIMYULYNWMOGM-RKDXNWHRSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@@H+]1CC[C@H](C)[C@H]1C 307344115 345983835 /nfs/dbraw/zinc/98/38/35/345983835.db2.gz YMIMYULYNWMOGM-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CNCC[N@H+]1CC[C@H](C)[C@H]1C 307344115 345983837 /nfs/dbraw/zinc/98/38/37/345983837.db2.gz YMIMYULYNWMOGM-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO C[C@@H]1[NH2+]CCN([C@@H]2CCN(C)C2)[C@@H]1C 307345575 345984922 /nfs/dbraw/zinc/98/49/22/345984922.db2.gz WAMZCHZBBFOBDT-HBNTYKKESA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1[NH2+]CCN([C@H]2CCN(C)C2)[C@H]1C 307345571 345984931 /nfs/dbraw/zinc/98/49/31/345984931.db2.gz WAMZCHZBBFOBDT-DCAQKATOSA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1[NH2+]CCN([C@H]2CCN(C)C2)[C@@H]1C 307345569 345984996 /nfs/dbraw/zinc/98/49/96/345984996.db2.gz WAMZCHZBBFOBDT-AXFHLTTASA-N 1 3 197.326 0.373 10 0 ACAEHO C[C@@H]1[NH2+]CCN([C@@H]2CCN(C)C2)[C@H]1C 307345573 345985056 /nfs/dbraw/zinc/98/50/56/345985056.db2.gz WAMZCHZBBFOBDT-GARJFASQSA-N 1 3 197.326 0.373 10 0 ACAEHO C1NCC1C[NH+]1C2CCC1CC2 307348725 345986707 /nfs/dbraw/zinc/98/67/07/345986707.db2.gz RLYZFACZNHNDHW-UHFFFAOYSA-N 1 3 166.268 0.833 10 0 ACAEHO C1[NH2+]CC1CN1C2CCC1CC2 307348725 345986708 /nfs/dbraw/zinc/98/67/08/345986708.db2.gz RLYZFACZNHNDHW-UHFFFAOYSA-N 1 3 166.268 0.833 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]C[C@@H]1CCN1 307365390 345996965 /nfs/dbraw/zinc/99/69/65/345996965.db2.gz LXNHEKOSBGIZFZ-JGVFFNPUSA-N 1 3 154.257 0.736 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]C[C@H]1CCN1 307365391 345997015 /nfs/dbraw/zinc/99/70/15/345997015.db2.gz LXNHEKOSBGIZFZ-SFYZADRCSA-N 1 3 154.257 0.736 10 0 ACAEHO CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCN1 307365392 345997061 /nfs/dbraw/zinc/99/70/61/345997061.db2.gz LXNHEKOSBGIZFZ-YUMQZZPRSA-N 1 3 154.257 0.736 10 0 ACAEHO CC1(C)C[C@H]1[NH2+]C[C@H]1CCN1 307365389 345997081 /nfs/dbraw/zinc/99/70/81/345997081.db2.gz LXNHEKOSBGIZFZ-HTQZYQBOSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CCCOCC1 307370225 346000114 /nfs/dbraw/zinc/00/01/14/346000114.db2.gz OVHKZMYDELIHNE-GMTAPVOTSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1[C@@H]1CCCOCC1 307370226 346000147 /nfs/dbraw/zinc/00/01/47/346000147.db2.gz OVHKZMYDELIHNE-MXWKQRLJSA-N 1 3 198.310 0.977 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CCCOCC1 307370492 346000516 /nfs/dbraw/zinc/00/05/16/346000516.db2.gz OVHKZMYDELIHNE-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO CN1CC[C@@H](N(C)C(=[NH2+])NC2CC2)C1 307371196 346000952 /nfs/dbraw/zinc/00/09/52/346000952.db2.gz PQBFBQDBNFRZEY-SECBINFHSA-N 1 3 196.298 0.309 10 0 ACAEHO CN1CC[C@H](N(C)C(=[NH2+])NC2CC2)C1 307371198 346001054 /nfs/dbraw/zinc/00/10/54/346001054.db2.gz PQBFBQDBNFRZEY-VIFPVBQESA-N 1 3 196.298 0.309 10 0 ACAEHO CC(C)(C[NH3+])CN1CC=CC1 307379638 346005123 /nfs/dbraw/zinc/00/51/23/346005123.db2.gz ZDOFCQXBNCPOBM-UHFFFAOYSA-N 1 3 154.257 0.843 10 0 ACAEHO CC(C)(CN)C[NH+]1CC=CC1 307379638 346005124 /nfs/dbraw/zinc/00/51/24/346005124.db2.gz ZDOFCQXBNCPOBM-UHFFFAOYSA-N 1 3 154.257 0.843 10 0 ACAEHO CC(C)(CC[NH3+])N1CC=CC1 307379731 346005238 /nfs/dbraw/zinc/00/52/38/346005238.db2.gz XTYRQDZWPIYGMG-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO CC(C)(CCN)[NH+]1CC=CC1 307379731 346005241 /nfs/dbraw/zinc/00/52/41/346005241.db2.gz XTYRQDZWPIYGMG-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO C[C@](F)(C[NH3+])[C@H]1C=CCN1 307386572 346009433 /nfs/dbraw/zinc/00/94/33/346009433.db2.gz AXMQSGVCELPTCY-RQJHMYQMSA-N 1 3 144.193 0.201 10 0 ACAEHO C[C@](F)(C[NH3+])[C@@H]1C=CCN1 307386569 346009536 /nfs/dbraw/zinc/00/95/36/346009536.db2.gz AXMQSGVCELPTCY-BQBZGAKWSA-N 1 3 144.193 0.201 10 0 ACAEHO C[C@@](F)(C[NH3+])[C@@H]1C=CCN1 307386570 346009594 /nfs/dbraw/zinc/00/95/94/346009594.db2.gz AXMQSGVCELPTCY-NKWVEPMBSA-N 1 3 144.193 0.201 10 0 ACAEHO C[C@@](F)(C[NH3+])[C@H]1C=CCN1 307386571 346009628 /nfs/dbraw/zinc/00/96/28/346009628.db2.gz AXMQSGVCELPTCY-RNFRBKRXSA-N 1 3 144.193 0.201 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCC[C@@H](N)[C@H]1C 307396101 346016001 /nfs/dbraw/zinc/01/60/01/346016001.db2.gz OIXCRWOLPOURQB-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CC[C@](C)(CO)C1 307398199 346017251 /nfs/dbraw/zinc/01/72/51/346017251.db2.gz SOTCIMHPELIMFR-AEJSXWLSSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CC[C@](C)(CO)C1 307398199 346017253 /nfs/dbraw/zinc/01/72/53/346017253.db2.gz SOTCIMHPELIMFR-AEJSXWLSSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@](C)(CO)C1 307398202 346017300 /nfs/dbraw/zinc/01/73/00/346017300.db2.gz SOTCIMHPELIMFR-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@](C)(CO)C1 307398202 346017302 /nfs/dbraw/zinc/01/73/02/346017302.db2.gz SOTCIMHPELIMFR-LPEHRKFASA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CC[C@@](C)(CO)C1 307398201 346017311 /nfs/dbraw/zinc/01/73/11/346017311.db2.gz SOTCIMHPELIMFR-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CC[C@@](C)(CO)C1 307398201 346017312 /nfs/dbraw/zinc/01/73/12/346017312.db2.gz SOTCIMHPELIMFR-IVZWLZJFSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@](C)(CO)C1 307398200 346017542 /nfs/dbraw/zinc/01/75/42/346017542.db2.gz SOTCIMHPELIMFR-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@](C)(CO)C1 307398200 346017544 /nfs/dbraw/zinc/01/75/44/346017544.db2.gz SOTCIMHPELIMFR-GUBZILKMSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 307399576 346017875 /nfs/dbraw/zinc/01/78/75/346017875.db2.gz XFTLWGUICXGEIJ-QCLAVDOMSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307399576 346017876 /nfs/dbraw/zinc/01/78/76/346017876.db2.gz XFTLWGUICXGEIJ-QCLAVDOMSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H](N)[C@H]1C 307399575 346017923 /nfs/dbraw/zinc/01/79/23/346017923.db2.gz XFTLWGUICXGEIJ-JXUBOQSCSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](N)[C@H]1C 307399575 346017924 /nfs/dbraw/zinc/01/79/24/346017924.db2.gz XFTLWGUICXGEIJ-JXUBOQSCSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H](N)[C@@H]1C 307399577 346017943 /nfs/dbraw/zinc/01/79/43/346017943.db2.gz XFTLWGUICXGEIJ-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](N)[C@@H]1C 307399577 346017945 /nfs/dbraw/zinc/01/79/45/346017945.db2.gz XFTLWGUICXGEIJ-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](N)[C@@H]1C 307399574 346017966 /nfs/dbraw/zinc/01/79/66/346017966.db2.gz XFTLWGUICXGEIJ-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H](N)[C@@H]1C 307399574 346017968 /nfs/dbraw/zinc/01/79/68/346017968.db2.gz XFTLWGUICXGEIJ-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H]([C@H](C)CN)[N@H+]1C[C@H]2C[C@H]2C1 307404815 346021782 /nfs/dbraw/zinc/02/17/82/346021782.db2.gz CHAGBULVXCOZPA-RGOKHQFPSA-N 1 3 168.284 0.921 10 0 ACAEHO C[C@@H]([C@H](C)CN)[N@@H+]1C[C@H]2C[C@H]2C1 307404815 346021785 /nfs/dbraw/zinc/02/17/85/346021785.db2.gz CHAGBULVXCOZPA-RGOKHQFPSA-N 1 3 168.284 0.921 10 0 ACAEHO C[C@H](CN)[C@@H](C)[N@H+]1C[C@H]2C[C@H]2C1 307404814 346021965 /nfs/dbraw/zinc/02/19/65/346021965.db2.gz CHAGBULVXCOZPA-KYXWUPHJSA-N 1 3 168.284 0.921 10 0 ACAEHO C[C@H](CN)[C@@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 307404814 346021969 /nfs/dbraw/zinc/02/19/69/346021969.db2.gz CHAGBULVXCOZPA-KYXWUPHJSA-N 1 3 168.284 0.921 10 0 ACAEHO C/C=C/C[NH2+]C1CCNCC1 307407997 346024279 /nfs/dbraw/zinc/02/42/79/346024279.db2.gz FQVMTGAVJIMSSS-NSCUHMNNSA-N 1 3 154.257 0.904 10 0 ACAEHO C[C@@H]1[C@@H](N)CC[N@@H+]1[C@@H]1CCCOC1 307408308 346024663 /nfs/dbraw/zinc/02/46/63/346024663.db2.gz OWAMSGMZLSHSIF-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@@H](N)CC[N@H+]1[C@@H]1CCCOC1 307408308 346024665 /nfs/dbraw/zinc/02/46/65/346024665.db2.gz OWAMSGMZLSHSIF-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@@H+]1[C@H]1CCCOC1 307408310 346024915 /nfs/dbraw/zinc/02/49/15/346024915.db2.gz OWAMSGMZLSHSIF-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@H+]1[C@H]1CCCOC1 307408310 346024917 /nfs/dbraw/zinc/02/49/17/346024917.db2.gz OWAMSGMZLSHSIF-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@@H](N)CC[N@@H+]1[C@H]1CCCOC1 307408312 346024930 /nfs/dbraw/zinc/02/49/30/346024930.db2.gz OWAMSGMZLSHSIF-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@@H](N)CC[N@H+]1[C@H]1CCCOC1 307408312 346024933 /nfs/dbraw/zinc/02/49/33/346024933.db2.gz OWAMSGMZLSHSIF-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@@H+]1[C@@H]1CCCOC1 307408311 346025032 /nfs/dbraw/zinc/02/50/32/346025032.db2.gz OWAMSGMZLSHSIF-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@H+]1[C@@H]1CCCOC1 307408311 346025034 /nfs/dbraw/zinc/02/50/34/346025034.db2.gz OWAMSGMZLSHSIF-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCN(C2CSC2)C1 307422240 346032522 /nfs/dbraw/zinc/03/25/22/346032522.db2.gz SMRYWWGOTJZLPJ-SFYZADRCSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCN(C2CSC2)C1 307422241 346032550 /nfs/dbraw/zinc/03/25/50/346032550.db2.gz SMRYWWGOTJZLPJ-YUMQZZPRSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCN(C2CSC2)C1 307422238 346032698 /nfs/dbraw/zinc/03/26/98/346032698.db2.gz SMRYWWGOTJZLPJ-HTQZYQBOSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN(C2CSC2)C1 307422239 346032752 /nfs/dbraw/zinc/03/27/52/346032752.db2.gz SMRYWWGOTJZLPJ-JGVFFNPUSA-N 1 3 186.324 0.771 10 0 ACAEHO N[C@@]1(C[NH3+])CC[C@H]2C[C@H]21 307424615 346033731 /nfs/dbraw/zinc/03/37/31/346033731.db2.gz OSYDQKYMFZLARN-RRKCRQDMSA-N 1 3 126.203 0.073 10 0 ACAEHO N[C@@]1(C[NH3+])CC[C@@H]2C[C@@H]21 307424607 346033789 /nfs/dbraw/zinc/03/37/89/346033789.db2.gz OSYDQKYMFZLARN-DSYKOEDSSA-N 1 3 126.203 0.073 10 0 ACAEHO F[C@]1([C@H]2C=CCN2)CCC[NH2+]C1 307426413 346034133 /nfs/dbraw/zinc/03/41/33/346034133.db2.gz PPIRSUHPQNHAFT-RKDXNWHRSA-N 1 3 170.231 0.606 10 0 ACAEHO F[C@@]1([C@@H]2C=CCN2)CCC[NH2+]C1 307426412 346034184 /nfs/dbraw/zinc/03/41/84/346034184.db2.gz PPIRSUHPQNHAFT-IUCAKERBSA-N 1 3 170.231 0.606 10 0 ACAEHO F[C@@]1([C@H]2C=CCN2)CCC[NH2+]C1 307426410 346034323 /nfs/dbraw/zinc/03/43/23/346034323.db2.gz PPIRSUHPQNHAFT-BDAKNGLRSA-N 1 3 170.231 0.606 10 0 ACAEHO F[C@]1([C@@H]2C=CCN2)CCC[NH2+]C1 307426411 346034404 /nfs/dbraw/zinc/03/44/04/346034404.db2.gz PPIRSUHPQNHAFT-DTWKUNHWSA-N 1 3 170.231 0.606 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N1CCC1 307438180 346040045 /nfs/dbraw/zinc/04/00/45/346040045.db2.gz RILYNLAVNOGSGG-ZCFIWIBFSA-N 1 3 141.218 0.407 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCC1 307438179 346040211 /nfs/dbraw/zinc/04/02/11/346040211.db2.gz RILYNLAVNOGSGG-LURJTMIESA-N 1 3 141.218 0.407 10 0 ACAEHO C[C@@H](CN)C[N@H+]1C[C@H]2C[C@H]2C1 307439950 346041233 /nfs/dbraw/zinc/04/12/33/346041233.db2.gz WMLINVZLQTUIRG-XHNCKOQMSA-N 1 3 154.257 0.533 10 0 ACAEHO C[C@@H](CN)C[N@@H+]1C[C@H]2C[C@H]2C1 307439950 346041235 /nfs/dbraw/zinc/04/12/35/346041235.db2.gz WMLINVZLQTUIRG-XHNCKOQMSA-N 1 3 154.257 0.533 10 0 ACAEHO C[C@H](CN)C[N@H+]1C[C@H]2C[C@H]2C1 307439946 346041404 /nfs/dbraw/zinc/04/14/04/346041404.db2.gz WMLINVZLQTUIRG-HLTSFMKQSA-N 1 3 154.257 0.533 10 0 ACAEHO C[C@H](CN)C[N@@H+]1C[C@H]2C[C@H]2C1 307439946 346041408 /nfs/dbraw/zinc/04/14/08/346041408.db2.gz WMLINVZLQTUIRG-HLTSFMKQSA-N 1 3 154.257 0.533 10 0 ACAEHO C[C@H]1C[C@@H](C[NH3+])CN(C)C1 307441681 346042205 /nfs/dbraw/zinc/04/22/05/346042205.db2.gz NOEFQDLRPURAOH-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@H+](C)C1 307441681 346042207 /nfs/dbraw/zinc/04/22/07/346042207.db2.gz NOEFQDLRPURAOH-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@@H+](C)C1 307441681 346042209 /nfs/dbraw/zinc/04/22/09/346042209.db2.gz NOEFQDLRPURAOH-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[C@@H](C[NH3+])CN(C)C1 307441678 346042263 /nfs/dbraw/zinc/04/22/63/346042263.db2.gz NOEFQDLRPURAOH-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+](C)C1 307441678 346042264 /nfs/dbraw/zinc/04/22/64/346042264.db2.gz NOEFQDLRPURAOH-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[C@H](C[NH3+])CN(C)C1 307441676 346042440 /nfs/dbraw/zinc/04/24/40/346042440.db2.gz NOEFQDLRPURAOH-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@H+](C)C1 307441676 346042442 /nfs/dbraw/zinc/04/24/42/346042442.db2.gz NOEFQDLRPURAOH-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@@H+](C)C1 307441676 346042445 /nfs/dbraw/zinc/04/24/45/346042445.db2.gz NOEFQDLRPURAOH-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[C@H](C[NH3+])CN(C)C1 307441673 346042495 /nfs/dbraw/zinc/04/24/95/346042495.db2.gz NOEFQDLRPURAOH-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+](C)C1 307441673 346042498 /nfs/dbraw/zinc/04/24/98/346042498.db2.gz NOEFQDLRPURAOH-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+](C)C1 307441673 346042503 /nfs/dbraw/zinc/04/25/03/346042503.db2.gz NOEFQDLRPURAOH-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[C@H]([NH3+])CNCCCF 307447323 346046018 /nfs/dbraw/zinc/04/60/18/346046018.db2.gz IUYASUUKSCZDAO-ZETCQYMHSA-N 1 3 148.225 0.673 10 0 ACAEHO C[C@H]1C[C@@H](NC2CC([NH3+])C2)CS1 307450290 346047504 /nfs/dbraw/zinc/04/75/04/346047504.db2.gz BTVCYKNFHHHMTB-DFAZKQQPSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@]1(C[NH+]2CCC2)COC[C@H]1N 307450542 346047516 /nfs/dbraw/zinc/04/75/16/346047516.db2.gz PPIUJRGJYIDTMD-BDAKNGLRSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC([NH3+])C2)CS1 307450292 346047547 /nfs/dbraw/zinc/04/75/47/346047547.db2.gz BTVCYKNFHHHMTB-KHONBHQKSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@H]1C[C@H](NC2CC([NH3+])C2)CS1 307450294 346047591 /nfs/dbraw/zinc/04/75/91/346047591.db2.gz BTVCYKNFHHHMTB-KRTGUUSXSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@@]1(C[NH+]2CCC2)COC[C@H]1N 307450545 346047608 /nfs/dbraw/zinc/04/76/08/346047608.db2.gz PPIUJRGJYIDTMD-RKDXNWHRSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@@]1(C[NH+]2CCC2)COC[C@@H]1N 307450543 346047703 /nfs/dbraw/zinc/04/77/03/346047703.db2.gz PPIUJRGJYIDTMD-DTWKUNHWSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC([NH3+])C2)CS1 307450476 346047749 /nfs/dbraw/zinc/04/77/49/346047749.db2.gz BTVCYKNFHHHMTB-MDVIFZSFSA-N 1 3 186.324 0.960 10 0 ACAEHO C[C@]1(C[NH+]2CCC2)COC[C@@H]1N 307450544 346047808 /nfs/dbraw/zinc/04/78/08/346047808.db2.gz PPIUJRGJYIDTMD-IUCAKERBSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@H](C[NH3+])N1C2CCC1CC2 307451594 346048206 /nfs/dbraw/zinc/04/82/06/346048206.db2.gz QWTWLJNSUCBIHY-AFPNSQJFSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H](C[NH3+])N1C2CCC1CC2 307451595 346048278 /nfs/dbraw/zinc/04/82/78/346048278.db2.gz QWTWLJNSUCBIHY-UEJVZZJDSA-N 1 3 154.257 0.960 10 0 ACAEHO F[C@]1(C2C[NH2+]C2)CCCNC1 307452989 346049217 /nfs/dbraw/zinc/04/92/17/346049217.db2.gz UMYLCBCFYSYJTJ-MRVPVSSYSA-N 1 3 158.220 0.298 10 0 ACAEHO F[C@@]1(C2C[NH2+]C2)CCCNC1 307452990 346049259 /nfs/dbraw/zinc/04/92/59/346049259.db2.gz UMYLCBCFYSYJTJ-QMMMGPOBSA-N 1 3 158.220 0.298 10 0 ACAEHO CC[NH2+]C[C@@H]1CNC[C@H](C)C1 307457066 346052109 /nfs/dbraw/zinc/05/21/09/346052109.db2.gz FHANJJKOKBIBSZ-RKDXNWHRSA-N 1 3 156.273 0.842 10 0 ACAEHO CCNC[C@@H]1C[NH2+]C[C@H](C)C1 307457066 346052112 /nfs/dbraw/zinc/05/21/12/346052112.db2.gz FHANJJKOKBIBSZ-RKDXNWHRSA-N 1 3 156.273 0.842 10 0 ACAEHO CC[NH2+]C[C@H]1CNC[C@H](C)C1 307457062 346052153 /nfs/dbraw/zinc/05/21/53/346052153.db2.gz FHANJJKOKBIBSZ-BDAKNGLRSA-N 1 3 156.273 0.842 10 0 ACAEHO CCNC[C@H]1C[NH2+]C[C@H](C)C1 307457062 346052155 /nfs/dbraw/zinc/05/21/55/346052155.db2.gz FHANJJKOKBIBSZ-BDAKNGLRSA-N 1 3 156.273 0.842 10 0 ACAEHO CC[NH2+]C[C@@H]1CNC[C@@H](C)C1 307457063 346052164 /nfs/dbraw/zinc/05/21/64/346052164.db2.gz FHANJJKOKBIBSZ-DTWKUNHWSA-N 1 3 156.273 0.842 10 0 ACAEHO CCNC[C@@H]1C[NH2+]C[C@@H](C)C1 307457063 346052167 /nfs/dbraw/zinc/05/21/67/346052167.db2.gz FHANJJKOKBIBSZ-DTWKUNHWSA-N 1 3 156.273 0.842 10 0 ACAEHO CC[NH2+]C[C@H]1CNC[C@@H](C)C1 307457065 346052241 /nfs/dbraw/zinc/05/22/41/346052241.db2.gz FHANJJKOKBIBSZ-IUCAKERBSA-N 1 3 156.273 0.842 10 0 ACAEHO CCNC[C@H]1C[NH2+]C[C@@H](C)C1 307457065 346052244 /nfs/dbraw/zinc/05/22/44/346052244.db2.gz FHANJJKOKBIBSZ-IUCAKERBSA-N 1 3 156.273 0.842 10 0 ACAEHO C[C@@H]([C@H](C)C[NH3+])N1CCC1 307465594 346056964 /nfs/dbraw/zinc/05/69/64/346056964.db2.gz MURLEOZOQQCVOY-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H](C[NH3+])[C@@H](C)N1CCC1 307465593 346057165 /nfs/dbraw/zinc/05/71/65/346057165.db2.gz MURLEOZOQQCVOY-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H](C[NH3+])[C@H](C)N1CCC1 307465595 346057217 /nfs/dbraw/zinc/05/72/17/346057217.db2.gz MURLEOZOQQCVOY-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](C)N1CCC1 307465592 346057255 /nfs/dbraw/zinc/05/72/55/346057255.db2.gz MURLEOZOQQCVOY-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@]1(CO)CCN(C2CC([NH3+])C2)C1 307466402 346057659 /nfs/dbraw/zinc/05/76/59/346057659.db2.gz KDPNQUXNFSDFRR-UDNWOFFPSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CO)CCN(C2CC([NH3+])C2)C1 307466401 346057798 /nfs/dbraw/zinc/05/77/98/346057798.db2.gz KDPNQUXNFSDFRR-RTBKNWGFSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 307467777 346058192 /nfs/dbraw/zinc/05/81/92/346058192.db2.gz LHABACNBHBQAEY-XFWSIPNHSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](O)C1 307467777 346058193 /nfs/dbraw/zinc/05/81/93/346058193.db2.gz LHABACNBHBQAEY-XFWSIPNHSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 307467776 346058266 /nfs/dbraw/zinc/05/82/66/346058266.db2.gz LHABACNBHBQAEY-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](O)C1 307467776 346058267 /nfs/dbraw/zinc/05/82/67/346058267.db2.gz LHABACNBHBQAEY-KATARQTJSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 307467775 346058346 /nfs/dbraw/zinc/05/83/46/346058346.db2.gz LHABACNBHBQAEY-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@H](C)[C@H](O)C1 307467775 346058347 /nfs/dbraw/zinc/05/83/47/346058347.db2.gz LHABACNBHBQAEY-AATLWQCWSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](O)C1 307467778 346058367 /nfs/dbraw/zinc/05/83/67/346058367.db2.gz LHABACNBHBQAEY-XKNYDFJKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](O)C1 307467778 346058368 /nfs/dbraw/zinc/05/83/68/346058368.db2.gz LHABACNBHBQAEY-XKNYDFJKSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCOC1 307470343 346059664 /nfs/dbraw/zinc/05/96/64/346059664.db2.gz PKRLYFGEORLWGX-KXUCPTDWSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCOC1 307470343 346059666 /nfs/dbraw/zinc/05/96/66/346059666.db2.gz PKRLYFGEORLWGX-KXUCPTDWSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCOC1 307470347 346059917 /nfs/dbraw/zinc/05/99/17/346059917.db2.gz PKRLYFGEORLWGX-UTLUCORTSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCOC1 307470347 346059921 /nfs/dbraw/zinc/05/99/21/346059921.db2.gz PKRLYFGEORLWGX-UTLUCORTSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCOC1 307470342 346059938 /nfs/dbraw/zinc/05/99/38/346059938.db2.gz PKRLYFGEORLWGX-BBBLOLIVSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCOC1 307470342 346059942 /nfs/dbraw/zinc/05/99/42/346059942.db2.gz PKRLYFGEORLWGX-BBBLOLIVSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCOC1 307470345 346060055 /nfs/dbraw/zinc/06/00/55/346060055.db2.gz PKRLYFGEORLWGX-OPRDCNLKSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCOC1 307470345 346060056 /nfs/dbraw/zinc/06/00/56/346060056.db2.gz PKRLYFGEORLWGX-OPRDCNLKSA-N 1 3 184.283 0.363 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CC3(CC3)C2)C1 307473507 346061838 /nfs/dbraw/zinc/06/18/38/346061838.db2.gz HQUMQJKUPKGKFK-IUCAKERBSA-N 1 3 166.268 0.962 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H](N2CC3(CC3)C2)C1 307473508 346061461 /nfs/dbraw/zinc/06/14/61/346061461.db2.gz HQUMQJKUPKGKFK-RKDXNWHRSA-N 1 3 166.268 0.962 10 0 ACAEHO C[C@]1(C[NH+]2CC=CC2)COC[C@H]1N 307473514 346061494 /nfs/dbraw/zinc/06/14/94/346061494.db2.gz HRTGNCRAXSHHPJ-ZJUUUORDSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@]1(CN2CC=CC2)COC[C@H]1[NH3+] 307473514 346061498 /nfs/dbraw/zinc/06/14/98/346061498.db2.gz HRTGNCRAXSHHPJ-ZJUUUORDSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CC3(CC3)C2)C1 307473505 346061508 /nfs/dbraw/zinc/06/15/08/346061508.db2.gz HQUMQJKUPKGKFK-BDAKNGLRSA-N 1 3 166.268 0.962 10 0 ACAEHO C[C@]1(C[NH+]2CC=CC2)COC[C@@H]1N 307473512 346061552 /nfs/dbraw/zinc/06/15/52/346061552.db2.gz HRTGNCRAXSHHPJ-UWVGGRQHSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@]1(CN2CC=CC2)COC[C@@H]1[NH3+] 307473512 346061556 /nfs/dbraw/zinc/06/15/56/346061556.db2.gz HRTGNCRAXSHHPJ-UWVGGRQHSA-N 1 3 182.267 0.222 10 0 ACAEHO [NH3+][C@H]1CC[C@@H](N2CC3(CC3)C2)C1 307473506 346061643 /nfs/dbraw/zinc/06/16/43/346061643.db2.gz HQUMQJKUPKGKFK-DTWKUNHWSA-N 1 3 166.268 0.962 10 0 ACAEHO C[C@@]1(C[NH+]2CC=CC2)COC[C@@H]1N 307473513 346061694 /nfs/dbraw/zinc/06/16/94/346061694.db2.gz HRTGNCRAXSHHPJ-VHSXEESVSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@@]1(CN2CC=CC2)COC[C@@H]1[NH3+] 307473513 346061697 /nfs/dbraw/zinc/06/16/97/346061697.db2.gz HRTGNCRAXSHHPJ-VHSXEESVSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@@]1(C[NH+]2CC=CC2)COC[C@H]1N 307473511 346061745 /nfs/dbraw/zinc/06/17/45/346061745.db2.gz HRTGNCRAXSHHPJ-NXEZZACHSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@@]1(CN2CC=CC2)COC[C@H]1[NH3+] 307473511 346061749 /nfs/dbraw/zinc/06/17/49/346061749.db2.gz HRTGNCRAXSHHPJ-NXEZZACHSA-N 1 3 182.267 0.222 10 0 ACAEHO C[C@@]1(CCC[NH3+])NCCS1 307477487 346064050 /nfs/dbraw/zinc/06/40/50/346064050.db2.gz VPMNQWPNRISJJP-SSDOTTSWSA-N 1 3 160.286 0.778 10 0 ACAEHO CC(C)([NH3+])CCN1CC=CC1 307477023 346064207 /nfs/dbraw/zinc/06/42/07/346064207.db2.gz CQYSAADVOKPLHG-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO C[C@]1(CCC[NH3+])NCCS1 307477488 346064233 /nfs/dbraw/zinc/06/42/33/346064233.db2.gz VPMNQWPNRISJJP-ZETCQYMHSA-N 1 3 160.286 0.778 10 0 ACAEHO C1C[C@H](C[NH2+]C2CC2)N1 307481387 346066258 /nfs/dbraw/zinc/06/62/58/346066258.db2.gz KZQDITUGUTYVTO-SSDOTTSWSA-N 1 3 126.203 0.100 10 0 ACAEHO C1C[C@@H](C[NH2+]C2CC2)N1 307481388 346066386 /nfs/dbraw/zinc/06/63/86/346066386.db2.gz KZQDITUGUTYVTO-ZETCQYMHSA-N 1 3 126.203 0.100 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@H](C)CO)C1 307484187 346068183 /nfs/dbraw/zinc/06/81/83/346068183.db2.gz MLPANTQOFQOVLV-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@H](C)CO)C1 307484187 346068184 /nfs/dbraw/zinc/06/81/84/346068184.db2.gz MLPANTQOFQOVLV-HLTSFMKQSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CO)[N@@H+]1C[C@H](C)C[C@@H](N)C1 307484196 346068292 /nfs/dbraw/zinc/06/82/92/346068292.db2.gz MLPANTQOFQOVLV-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CO)[N@H+]1C[C@H](C)C[C@@H](N)C1 307484196 346068294 /nfs/dbraw/zinc/06/82/94/346068294.db2.gz MLPANTQOFQOVLV-HRDYMLBCSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CO)[N@H+]1C[C@@H](N)C[C@@H](C)C1 307484222 346068365 /nfs/dbraw/zinc/06/83/65/346068365.db2.gz MLPANTQOFQOVLV-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H](CO)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 307484222 346068366 /nfs/dbraw/zinc/06/83/66/346068366.db2.gz MLPANTQOFQOVLV-VGMNWLOBSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+]([C@H](C)CO)C1 307484209 346068508 /nfs/dbraw/zinc/06/85/08/346068508.db2.gz MLPANTQOFQOVLV-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+]([C@H](C)CO)C1 307484209 346068513 /nfs/dbraw/zinc/06/85/13/346068513.db2.gz MLPANTQOFQOVLV-IWSPIJDZSA-N 1 3 172.272 0.036 10 0 ACAEHO CNC(=[NH2+])CCN1CCCC1 307488333 346070128 /nfs/dbraw/zinc/07/01/28/346070128.db2.gz WMHDCILWEHLXLB-UHFFFAOYSA-N 1 3 155.245 0.669 10 0 ACAEHO C[C@H](N)[C@@](C)(O)[C@@H]1C[C@H](C)CC[NH2+]1 307491253 346071699 /nfs/dbraw/zinc/07/16/99/346071699.db2.gz GGWPLTHNRSTRDB-XFWSIPNHSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H]([NH3+])[C@@](C)(O)[C@@H]1C[C@H](C)CCN1 307491253 346071700 /nfs/dbraw/zinc/07/17/00/346071700.db2.gz GGWPLTHNRSTRDB-XFWSIPNHSA-N 1 3 186.299 0.473 10 0 ACAEHO [NH3+]CC1(CN2CC=CC2)CC1 307491202 346071750 /nfs/dbraw/zinc/07/17/50/346071750.db2.gz HRFZUFRLXJSUIZ-UHFFFAOYSA-N 1 3 152.241 0.597 10 0 ACAEHO NCC1(C[NH+]2CC=CC2)CC1 307491202 346071751 /nfs/dbraw/zinc/07/17/51/346071751.db2.gz HRFZUFRLXJSUIZ-UHFFFAOYSA-N 1 3 152.241 0.597 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H]([C@@](C)(O)[C@@H](C)N)C1 307491231 346071794 /nfs/dbraw/zinc/07/17/94/346071794.db2.gz GGWPLTHNRSTRDB-IMSYWVGJSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@@](C)(O)[C@@H](C)[NH3+])C1 307491231 346071795 /nfs/dbraw/zinc/07/17/95/346071795.db2.gz GGWPLTHNRSTRDB-IMSYWVGJSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H]([C@](C)(O)[C@@H](C)N)C1 307491229 346071805 /nfs/dbraw/zinc/07/18/05/346071805.db2.gz GGWPLTHNRSTRDB-DOLQZWNJSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@](C)(O)[C@@H](C)[NH3+])C1 307491229 346071807 /nfs/dbraw/zinc/07/18/07/346071807.db2.gz GGWPLTHNRSTRDB-DOLQZWNJSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H](N)[C@](C)(O)[C@@H]1C[C@H](C)CC[NH2+]1 307491244 346071855 /nfs/dbraw/zinc/07/18/55/346071855.db2.gz GGWPLTHNRSTRDB-KATARQTJSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H]([NH3+])[C@](C)(O)[C@@H]1C[C@H](C)CCN1 307491244 346071858 /nfs/dbraw/zinc/07/18/58/346071858.db2.gz GGWPLTHNRSTRDB-KATARQTJSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@@H+]1CC(C)(C)O 307493677 346073380 /nfs/dbraw/zinc/07/33/80/346073380.db2.gz HKOICWDUJHMQCI-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@H+]1CC(C)(C)O 307493677 346073383 /nfs/dbraw/zinc/07/33/83/346073383.db2.gz HKOICWDUJHMQCI-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@@H+]1CC(C)(C)O 307493632 346073557 /nfs/dbraw/zinc/07/35/57/346073557.db2.gz HKOICWDUJHMQCI-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@H+]1CC(C)(C)O 307493632 346073560 /nfs/dbraw/zinc/07/35/60/346073560.db2.gz HKOICWDUJHMQCI-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@@H+]1CC(C)(C)O 307493655 346073745 /nfs/dbraw/zinc/07/37/45/346073745.db2.gz HKOICWDUJHMQCI-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@H+]1CC(C)(C)O 307493655 346073746 /nfs/dbraw/zinc/07/37/46/346073746.db2.gz HKOICWDUJHMQCI-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO CC1(C[NH2+]C2CCC2)CNC1 307499388 346076314 /nfs/dbraw/zinc/07/63/14/346076314.db2.gz LSAMJFNKXWRFAE-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO CC1(CNC2CCC2)C[NH2+]C1 307499388 346076317 /nfs/dbraw/zinc/07/63/17/346076317.db2.gz LSAMJFNKXWRFAE-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO CN(C)CCN1C[C@H]2CC[NH2+]C[C@@H]2C1 307502675 346077718 /nfs/dbraw/zinc/07/77/18/346077718.db2.gz VUYNMYZXUOPSRW-GHMZBOCLSA-N 1 3 197.326 0.089 10 0 ACAEHO CN(C)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 307502679 346077771 /nfs/dbraw/zinc/07/77/71/346077771.db2.gz VUYNMYZXUOPSRW-WDEREUQCSA-N 1 3 197.326 0.089 10 0 ACAEHO CN(C)CCN1C[C@H]2CC[NH2+]C[C@H]2C1 307502677 346077809 /nfs/dbraw/zinc/07/78/09/346077809.db2.gz VUYNMYZXUOPSRW-MNOVXSKESA-N 1 3 197.326 0.089 10 0 ACAEHO CN(C)CCN1C[C@@H]2C[NH2+]CC[C@H]2C1 307502678 346077838 /nfs/dbraw/zinc/07/78/38/346077838.db2.gz VUYNMYZXUOPSRW-QWRGUYRKSA-N 1 3 197.326 0.089 10 0 ACAEHO C[C@@H]1[C@H](C[NH3+])CCN1[C@@H]1CCOC1 307504495 346078879 /nfs/dbraw/zinc/07/88/79/346078879.db2.gz WUMSMOBTIOPEMD-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@H](CN)CC[N@@H+]1[C@@H]1CCOC1 307504495 346078881 /nfs/dbraw/zinc/07/88/81/346078881.db2.gz WUMSMOBTIOPEMD-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@H](CN)CC[N@H+]1[C@@H]1CCOC1 307504495 346078882 /nfs/dbraw/zinc/07/88/82/346078882.db2.gz WUMSMOBTIOPEMD-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(CNC2CC2)C[NH2+]C1 307504225 346078891 /nfs/dbraw/zinc/07/88/91/346078891.db2.gz PGKWRIXUYICUTJ-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO CC1(C[NH2+]C2CC2)CNC1 307504225 346078892 /nfs/dbraw/zinc/07/88/92/346078892.db2.gz PGKWRIXUYICUTJ-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO C[C@@H]1[C@@H](C[NH3+])CCN1[C@H]1CCOC1 307504494 346078899 /nfs/dbraw/zinc/07/88/99/346078899.db2.gz WUMSMOBTIOPEMD-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@@H](CN)CC[N@@H+]1[C@H]1CCOC1 307504494 346078900 /nfs/dbraw/zinc/07/89/00/346078900.db2.gz WUMSMOBTIOPEMD-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@@H](CN)CC[N@H+]1[C@H]1CCOC1 307504494 346078902 /nfs/dbraw/zinc/07/89/02/346078902.db2.gz WUMSMOBTIOPEMD-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@H](C[NH3+])CCN1[C@H]1CCOC1 307504499 346079086 /nfs/dbraw/zinc/07/90/86/346079086.db2.gz WUMSMOBTIOPEMD-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@H](CN)CC[N@@H+]1[C@H]1CCOC1 307504499 346079089 /nfs/dbraw/zinc/07/90/89/346079089.db2.gz WUMSMOBTIOPEMD-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1[C@H](CN)CC[N@H+]1[C@H]1CCOC1 307504499 346079091 /nfs/dbraw/zinc/07/90/91/346079091.db2.gz WUMSMOBTIOPEMD-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@H+]1C[C@@H](C)O 307510347 346082412 /nfs/dbraw/zinc/08/24/12/346082412.db2.gz OIXCRWOLPOURQB-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@@H+]1C[C@@H](C)O 307510347 346082414 /nfs/dbraw/zinc/08/24/14/346082414.db2.gz OIXCRWOLPOURQB-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCC[C@H](N)[C@H]1C 307510345 346082562 /nfs/dbraw/zinc/08/25/62/346082562.db2.gz OIXCRWOLPOURQB-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCC[C@H](N)[C@H]1C 307510345 346082560 /nfs/dbraw/zinc/08/25/60/346082560.db2.gz OIXCRWOLPOURQB-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@H+]1C[C@@H](C)O 307510352 346082592 /nfs/dbraw/zinc/08/25/92/346082592.db2.gz OIXCRWOLPOURQB-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@@H+]1C[C@@H](C)O 307510352 346082594 /nfs/dbraw/zinc/08/25/94/346082594.db2.gz OIXCRWOLPOURQB-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[NH2+][C@@H]1[C@@H](C)CNC[C@H]1C 307513169 346084007 /nfs/dbraw/zinc/08/40/07/346084007.db2.gz YPSXMDISEKEGKH-JIGDXULJSA-N 1 3 142.246 0.450 10 0 ACAEHO C[C@@H]1C[C@@H]1CN1C[C@@H]2C[NH2+]C[C@H]2C1 307513442 346084207 /nfs/dbraw/zinc/08/42/07/346084207.db2.gz FWHXFGRODPDBNA-ZNSHCXBVSA-N 1 3 180.295 0.794 10 0 ACAEHO C[C@@H]1C[C@@H]1CN1C[C@H]2C[NH2+]C[C@@H]2C1 307513441 346084222 /nfs/dbraw/zinc/08/42/22/346084222.db2.gz FWHXFGRODPDBNA-GWOFURMSSA-N 1 3 180.295 0.794 10 0 ACAEHO C[C@H]1[C@H](C)CCN1CC[NH3+] 307517258 346086612 /nfs/dbraw/zinc/08/66/12/346086612.db2.gz ISNDLTAVWAJSGJ-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CCN(CC[NH3+])[C@@H]1C 307517257 346086719 /nfs/dbraw/zinc/08/67/19/346086719.db2.gz ISNDLTAVWAJSGJ-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CCN(CC[NH3+])[C@H]1C 307517259 346086736 /nfs/dbraw/zinc/08/67/36/346086736.db2.gz ISNDLTAVWAJSGJ-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC1CN([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307532123 346095434 /nfs/dbraw/zinc/09/54/34/346095434.db2.gz XLSBSPTWQJHWGD-OUAUKWLOSA-N 1 3 180.295 0.936 10 0 ACAEHO CC1CN([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)C1 307532122 346095469 /nfs/dbraw/zinc/09/54/69/346095469.db2.gz XLSBSPTWQJHWGD-HBNTYKKESA-N 1 3 180.295 0.936 10 0 ACAEHO CC1CN([C@@H]2CC[C@@H]3C[NH2+]C[C@H]32)C1 307532121 346095478 /nfs/dbraw/zinc/09/54/78/346095478.db2.gz XLSBSPTWQJHWGD-GMTAPVOTSA-N 1 3 180.295 0.936 10 0 ACAEHO CC1CN([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)C1 307532120 346095519 /nfs/dbraw/zinc/09/55/19/346095519.db2.gz XLSBSPTWQJHWGD-GARJFASQSA-N 1 3 180.295 0.936 10 0 ACAEHO CC(C)=CC[N@@H+]1CCNC[C@H](O)C1 307542730 346102328 /nfs/dbraw/zinc/10/23/28/346102328.db2.gz QNRLPVBVBCLSDZ-JTQLQIEISA-N 1 3 184.283 0.219 10 0 ACAEHO CC(C)=CC[N@H+]1CCNC[C@H](O)C1 307542730 346102329 /nfs/dbraw/zinc/10/23/29/346102329.db2.gz QNRLPVBVBCLSDZ-JTQLQIEISA-N 1 3 184.283 0.219 10 0 ACAEHO CC(C)=CC[N@@H+]1CCNC[C@@H](O)C1 307542734 346102631 /nfs/dbraw/zinc/10/26/31/346102631.db2.gz QNRLPVBVBCLSDZ-SNVBAGLBSA-N 1 3 184.283 0.219 10 0 ACAEHO CC(C)=CC[N@H+]1CCNC[C@@H](O)C1 307542734 346102632 /nfs/dbraw/zinc/10/26/32/346102632.db2.gz QNRLPVBVBCLSDZ-SNVBAGLBSA-N 1 3 184.283 0.219 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H](O)CC[C@@H]1C 307549175 346106113 /nfs/dbraw/zinc/10/61/13/346106113.db2.gz WJSKIQQONLGYFR-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H](O)CC[C@@H]1C 307549175 346106111 /nfs/dbraw/zinc/10/61/11/346106111.db2.gz WJSKIQQONLGYFR-AATLWQCWSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H](O)CC[C@@H]1C 307549178 346106123 /nfs/dbraw/zinc/10/61/23/346106123.db2.gz WJSKIQQONLGYFR-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H](O)CC[C@@H]1C 307549178 346106124 /nfs/dbraw/zinc/10/61/24/346106124.db2.gz WJSKIQQONLGYFR-XKNYDFJKSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@H](O)CC[C@H]1C 307549177 346106234 /nfs/dbraw/zinc/10/62/34/346106234.db2.gz WJSKIQQONLGYFR-XFWSIPNHSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@H](O)CC[C@H]1C 307549177 346106237 /nfs/dbraw/zinc/10/62/37/346106237.db2.gz WJSKIQQONLGYFR-XFWSIPNHSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1C[C@@H](O)CC[C@H]1C 307549176 346106410 /nfs/dbraw/zinc/10/64/10/346106410.db2.gz WJSKIQQONLGYFR-KATARQTJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C 307549176 346106411 /nfs/dbraw/zinc/10/64/11/346106411.db2.gz WJSKIQQONLGYFR-KATARQTJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]1COCC[N@H+](CC2(N)CC2)C1 307550576 346107183 /nfs/dbraw/zinc/10/71/83/346107183.db2.gz XYLNSSVIABJDKA-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@H]1COCC[N@@H+](CC2(N)CC2)C1 307550576 346107186 /nfs/dbraw/zinc/10/71/86/346107186.db2.gz XYLNSSVIABJDKA-SECBINFHSA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H]1COCC[N@H+](CC2(N)CC2)C1 307550583 346107302 /nfs/dbraw/zinc/10/73/02/346107302.db2.gz XYLNSSVIABJDKA-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H]1COCC[N@@H+](CC2(N)CC2)C1 307550583 346107304 /nfs/dbraw/zinc/10/73/04/346107304.db2.gz XYLNSSVIABJDKA-VIFPVBQESA-N 1 3 184.283 0.446 10 0 ACAEHO C[C@@H]1C[N@H+](C)C[C@@]1(C)CN 307554337 346109341 /nfs/dbraw/zinc/10/93/41/346109341.db2.gz MLRDONYUCXKABV-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[N@@H+](C)C[C@@]1(C)CN 307554337 346109343 /nfs/dbraw/zinc/10/93/43/346109343.db2.gz MLRDONYUCXKABV-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[N@H+](C)C[C@@]1(C)CN 307554338 346109522 /nfs/dbraw/zinc/10/95/22/346109522.db2.gz MLRDONYUCXKABV-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[N@@H+](C)C[C@@]1(C)CN 307554338 346109524 /nfs/dbraw/zinc/10/95/24/346109524.db2.gz MLRDONYUCXKABV-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[N@H+](C)C[C@]1(C)CN 307554339 346109544 /nfs/dbraw/zinc/10/95/44/346109544.db2.gz MLRDONYUCXKABV-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1C[N@@H+](C)C[C@]1(C)CN 307554339 346109546 /nfs/dbraw/zinc/10/95/46/346109546.db2.gz MLRDONYUCXKABV-SFYZADRCSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[N@H+](C)C[C@]1(C)CN 307554340 346109621 /nfs/dbraw/zinc/10/96/21/346109621.db2.gz MLRDONYUCXKABV-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H]1C[N@@H+](C)C[C@]1(C)CN 307554340 346109623 /nfs/dbraw/zinc/10/96/23/346109623.db2.gz MLRDONYUCXKABV-YUMQZZPRSA-N 1 3 142.246 0.533 10 0 ACAEHO [NH3+][C@@H]1CCOC[C@@H]1N1C[C@H]2C[C@H]2C1 307554986 346109858 /nfs/dbraw/zinc/10/98/58/346109858.db2.gz XILDPNUIFBBWEW-RGOKHQFPSA-N 1 3 182.267 0.054 10 0 ACAEHO C[C@@H]1CCCN1C[C@@]1(O)CC[NH2+]C1 307557155 346111029 /nfs/dbraw/zinc/11/10/29/346111029.db2.gz KSOLLUUZIBJWSP-NXEZZACHSA-N 1 3 184.283 0.195 10 0 ACAEHO C[C@H]1CCCN1C[C@@]1(O)CC[NH2+]C1 307557453 346111608 /nfs/dbraw/zinc/11/16/08/346111608.db2.gz KSOLLUUZIBJWSP-VHSXEESVSA-N 1 3 184.283 0.195 10 0 ACAEHO C[C@@H]1CCCN1C[C@]1(O)CC[NH2+]C1 307557455 346111715 /nfs/dbraw/zinc/11/17/15/346111715.db2.gz KSOLLUUZIBJWSP-ZJUUUORDSA-N 1 3 184.283 0.195 10 0 ACAEHO NC[C@@H]1C[N@@H+](C2CC2)CCCO1 307568819 346118493 /nfs/dbraw/zinc/11/84/93/346118493.db2.gz UMYCVPAOPBHHLR-SECBINFHSA-N 1 3 170.256 0.198 10 0 ACAEHO NC[C@@H]1C[N@H+](C2CC2)CCCO1 307568819 346118495 /nfs/dbraw/zinc/11/84/95/346118495.db2.gz UMYCVPAOPBHHLR-SECBINFHSA-N 1 3 170.256 0.198 10 0 ACAEHO NC[C@H]1C[N@@H+](C2CC2)CCCO1 307568820 346118514 /nfs/dbraw/zinc/11/85/14/346118514.db2.gz UMYCVPAOPBHHLR-VIFPVBQESA-N 1 3 170.256 0.198 10 0 ACAEHO NC[C@H]1C[N@H+](C2CC2)CCCO1 307568820 346118515 /nfs/dbraw/zinc/11/85/15/346118515.db2.gz UMYCVPAOPBHHLR-VIFPVBQESA-N 1 3 170.256 0.198 10 0 ACAEHO CS[C@H]1CCN(C2CC([NH3+])C2)C1 307589453 346132687 /nfs/dbraw/zinc/13/26/87/346132687.db2.gz BCPQCGMZCICOBI-HACHORDNSA-N 1 3 186.324 0.913 10 0 ACAEHO CS[C@@H]1CCN(C2CC([NH3+])C2)C1 307589452 346132705 /nfs/dbraw/zinc/13/27/05/346132705.db2.gz BCPQCGMZCICOBI-AMDVSUOASA-N 1 3 186.324 0.913 10 0 ACAEHO CC1CC([NH2+]C[C@H]2CCN2)C1 307591948 346133631 /nfs/dbraw/zinc/13/36/31/346133631.db2.gz DQXLNKMTYIYQTC-QJAFJHJLSA-N 1 3 154.257 0.736 10 0 ACAEHO CC1CC([NH2+]C[C@@H]2CCN2)C1 307591945 346133842 /nfs/dbraw/zinc/13/38/42/346133842.db2.gz DQXLNKMTYIYQTC-MGURRDGZSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@H]1CN(C)CC/C1=C\C[NH3+] 307594989 346135845 /nfs/dbraw/zinc/13/58/45/346135845.db2.gz KWSCTRUCKQQLTP-FVKOELHVSA-N 1 3 154.257 0.843 10 0 ACAEHO C[C@@H]1CN(C)CC/C1=C\C[NH3+] 307594990 346135861 /nfs/dbraw/zinc/13/58/61/346135861.db2.gz KWSCTRUCKQQLTP-KLUICZCQSA-N 1 3 154.257 0.843 10 0 ACAEHO C[C@H]1[C@H]([NH3+])CCN1C1CCC1 307596812 346136651 /nfs/dbraw/zinc/13/66/51/346136651.db2.gz MSUPDWGLSYTGGQ-IONNQARKSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1C1CCC1 307596813 346136715 /nfs/dbraw/zinc/13/67/15/346136715.db2.gz MSUPDWGLSYTGGQ-VXNVDRBHSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1C1CCC1 307596810 346136876 /nfs/dbraw/zinc/13/68/76/346136876.db2.gz MSUPDWGLSYTGGQ-APPZFPTMSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1[C@@H]([NH3+])CCN1CC1CC1 307596482 346137025 /nfs/dbraw/zinc/13/70/25/346137025.db2.gz MMMVJGOCDMNWFN-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1[C@@H]([NH3+])CCN1C1CCC1 307596811 346137167 /nfs/dbraw/zinc/13/71/67/346137167.db2.gz MSUPDWGLSYTGGQ-CBAPKCEASA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1[C@H]([NH3+])CCN1CC1CC1 307596483 346137183 /nfs/dbraw/zinc/13/71/83/346137183.db2.gz MMMVJGOCDMNWFN-IONNQARKSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CCN(C)C1 307597422 346137484 /nfs/dbraw/zinc/13/74/84/346137484.db2.gz NUKSQZXZZGQWNQ-KXUCPTDWSA-N 1 3 183.299 0.112 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1[C@@H]1CCN(C)C1 307597419 346137435 /nfs/dbraw/zinc/13/74/35/346137435.db2.gz NUKSQZXZZGQWNQ-BBBLOLIVSA-N 1 3 183.299 0.112 10 0 ACAEHO CC(C)([NH3+])[C@H](O)[C@H]1CCCCN1 307597640 346137445 /nfs/dbraw/zinc/13/74/45/346137445.db2.gz OATVZXSYWLHPQS-HTQZYQBOSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)(N)[C@H](O)[C@H]1CCCC[NH2+]1 307597640 346137448 /nfs/dbraw/zinc/13/74/48/346137448.db2.gz OATVZXSYWLHPQS-HTQZYQBOSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)([NH3+])[C@H](O)[C@@H]1CCCCN1 307597641 346137495 /nfs/dbraw/zinc/13/74/95/346137495.db2.gz OATVZXSYWLHPQS-JGVFFNPUSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)(N)[C@H](O)[C@@H]1CCCC[NH2+]1 307597641 346137498 /nfs/dbraw/zinc/13/74/98/346137498.db2.gz OATVZXSYWLHPQS-JGVFFNPUSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1CCN(C)C1 307597424 346137517 /nfs/dbraw/zinc/13/75/17/346137517.db2.gz NUKSQZXZZGQWNQ-OPRDCNLKSA-N 1 3 183.299 0.112 10 0 ACAEHO CC(C)([NH3+])[C@@H](O)[C@@H]1CCCCN1 307597643 346137604 /nfs/dbraw/zinc/13/76/04/346137604.db2.gz OATVZXSYWLHPQS-YUMQZZPRSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)(N)[C@@H](O)[C@@H]1CCCC[NH2+]1 307597643 346137607 /nfs/dbraw/zinc/13/76/07/346137607.db2.gz OATVZXSYWLHPQS-YUMQZZPRSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1[C@H]1CCN(C)C1 307597426 346137646 /nfs/dbraw/zinc/13/76/46/346137646.db2.gz NUKSQZXZZGQWNQ-UTLUCORTSA-N 1 3 183.299 0.112 10 0 ACAEHO CC(C)([NH3+])[C@@H](O)[C@H]1CCCCN1 307597642 346137677 /nfs/dbraw/zinc/13/76/77/346137677.db2.gz OATVZXSYWLHPQS-SFYZADRCSA-N 1 3 172.272 0.227 10 0 ACAEHO CC(C)(N)[C@@H](O)[C@H]1CCCC[NH2+]1 307597642 346137682 /nfs/dbraw/zinc/13/76/82/346137682.db2.gz OATVZXSYWLHPQS-SFYZADRCSA-N 1 3 172.272 0.227 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H]1CCOC1(C)C 307597909 346137902 /nfs/dbraw/zinc/13/79/02/346137902.db2.gz ODYSDZPJMYIYOB-HTQZYQBOSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@H](C[NH3+])N[C@H]1CCOC1(C)C 307597913 346137939 /nfs/dbraw/zinc/13/79/39/346137939.db2.gz ODYSDZPJMYIYOB-SFYZADRCSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H](C[NH3+])N[C@H]1CCOC1(C)C 307597915 346138132 /nfs/dbraw/zinc/13/81/32/346138132.db2.gz ODYSDZPJMYIYOB-YUMQZZPRSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H](C[NH3+])N[C@@H]1CCOC1(C)C 307597911 346138146 /nfs/dbraw/zinc/13/81/46/346138146.db2.gz ODYSDZPJMYIYOB-JGVFFNPUSA-N 1 3 172.272 0.491 10 0 ACAEHO CC1(C)[C@H]2C[N@H+](CC3CNC3)C[C@H]21 307602582 346140783 /nfs/dbraw/zinc/14/07/83/346140783.db2.gz WZPUALNMVRVPLG-AOOOYVTPSA-N 1 3 180.295 0.794 10 0 ACAEHO CC1(C)[C@H]2C[N@@H+](CC3CNC3)C[C@H]21 307602582 346140786 /nfs/dbraw/zinc/14/07/86/346140786.db2.gz WZPUALNMVRVPLG-AOOOYVTPSA-N 1 3 180.295 0.794 10 0 ACAEHO CC1(C)[C@H]2CN(CC3C[NH2+]C3)C[C@H]21 307602582 346140788 /nfs/dbraw/zinc/14/07/88/346140788.db2.gz WZPUALNMVRVPLG-AOOOYVTPSA-N 1 3 180.295 0.794 10 0 ACAEHO C[C@@H]([C@@H](C)O)[N@@H+]1CCC[C@@H](N)[C@H]1C 307604900 346142233 /nfs/dbraw/zinc/14/22/33/346142233.db2.gz XFTLWGUICXGEIJ-SGIHWFKDSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H]([C@@H](C)O)[N@H+]1CCC[C@@H](N)[C@H]1C 307604900 346142235 /nfs/dbraw/zinc/14/22/35/346142235.db2.gz XFTLWGUICXGEIJ-SGIHWFKDSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H](O)[C@@H](C)[N@@H+]1CCC[C@@H](N)[C@H]1C 307604901 346142288 /nfs/dbraw/zinc/14/22/88/346142288.db2.gz XFTLWGUICXGEIJ-ZYUZMQFOSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H](O)[C@@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 307604901 346142291 /nfs/dbraw/zinc/14/22/91/346142291.db2.gz XFTLWGUICXGEIJ-ZYUZMQFOSA-N 1 3 186.299 0.567 10 0 ACAEHO C1CC([NH+]2CC3=C(CNC3)C2)C1 307607001 346143315 /nfs/dbraw/zinc/14/33/15/346143315.db2.gz DZBFNJNWTDCGFJ-UHFFFAOYSA-N 1 3 164.252 0.754 10 0 ACAEHO C1CC(N2CC3=C(C[NH2+]C3)C2)C1 307607001 346143319 /nfs/dbraw/zinc/14/33/19/346143319.db2.gz DZBFNJNWTDCGFJ-UHFFFAOYSA-N 1 3 164.252 0.754 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCC[C@@]2(C)O)C[C@H]1[NH3+] 307614073 346147264 /nfs/dbraw/zinc/14/72/64/346147264.db2.gz MRPHEYKWESNJJQ-GWOFURMSSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCC[C@@]2(C)O)C[C@@H]1[NH3+] 307614074 346147313 /nfs/dbraw/zinc/14/73/13/346147313.db2.gz MRPHEYKWESNJJQ-LMLFDSFASA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCC[C@]2(C)O)C[C@@H]1[NH3+] 307614075 346147417 /nfs/dbraw/zinc/14/74/17/346147417.db2.gz MRPHEYKWESNJJQ-YTWAJWBKSA-N 1 3 198.310 0.569 10 0 ACAEHO C[C@@H]1CN([C@@H]2CCC[C@]2(C)O)C[C@H]1[NH3+] 307614072 346147430 /nfs/dbraw/zinc/14/74/30/346147430.db2.gz MRPHEYKWESNJJQ-DBIOUOCHSA-N 1 3 198.310 0.569 10 0 ACAEHO CC(C)(C[NH3+])N1CC[C@H](O)C1(C)C 307629936 346157400 /nfs/dbraw/zinc/15/74/00/346157400.db2.gz NNISVAXYUDLYMJ-QMMMGPOBSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)(C[NH3+])N1CC[C@@H](O)C1(C)C 307629933 346157541 /nfs/dbraw/zinc/15/75/41/346157541.db2.gz NNISVAXYUDLYMJ-MRVPVSSYSA-N 1 3 186.299 0.569 10 0 ACAEHO CC1(C[NH2+]C(C)(C)C)CNC1 307669283 346173738 /nfs/dbraw/zinc/17/37/38/346173738.db2.gz RUYKZLRIVVGVAW-UHFFFAOYSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@H]1CC[C@H](O)CN1C1CC([NH3+])C1 307668191 346173217 /nfs/dbraw/zinc/17/32/17/346173217.db2.gz QBXLNJGRYOAQSH-WOOKNIGNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1CC[C@@H](O)CN1C1CC([NH3+])C1 307668188 346173330 /nfs/dbraw/zinc/17/33/30/346173330.db2.gz QBXLNJGRYOAQSH-AUXWQGHOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1CC[C@H](O)CN1C1CC([NH3+])C1 307668189 346173424 /nfs/dbraw/zinc/17/34/24/346173424.db2.gz QBXLNJGRYOAQSH-NFTFJBJSSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@@H](O)CN1C1CC([NH3+])C1 307668190 346173465 /nfs/dbraw/zinc/17/34/65/346173465.db2.gz QBXLNJGRYOAQSH-SEZDTBSWSA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(CNC(C)(C)C)C[NH2+]C1 307669283 346173740 /nfs/dbraw/zinc/17/37/40/346173740.db2.gz RUYKZLRIVVGVAW-UHFFFAOYSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@@H](CC[NH3+])N1CCC1 307670573 346174347 /nfs/dbraw/zinc/17/43/47/346174347.db2.gz VDLOBZXWXLTIKI-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO CC[C@H](CC[NH3+])N1CCC1 307670572 346174606 /nfs/dbraw/zinc/17/46/06/346174606.db2.gz VDLOBZXWXLTIKI-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@H]2CCN(C)C[C@@H]2C1 307672900 346175404 /nfs/dbraw/zinc/17/54/04/346175404.db2.gz ZKSAEIBTGCFCBA-GMTAPVOTSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@H]2CCN(C)C[C@@H]2C1 307672900 346175407 /nfs/dbraw/zinc/17/54/07/346175407.db2.gz ZKSAEIBTGCFCBA-GMTAPVOTSA-N 1 3 198.310 0.251 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C)CC[C@H]2C1 307672903 346175546 /nfs/dbraw/zinc/17/55/46/346175546.db2.gz ZKSAEIBTGCFCBA-VWYCJHECSA-N 1 3 198.310 0.251 10 0 ACAEHO CC(C)[C@H](C)[C@@H](N)C[NH3+] 307675785 346176793 /nfs/dbraw/zinc/17/67/93/346176793.db2.gz DRNFJFMSTVSGRE-BQBZGAKWSA-N 1 3 130.235 0.565 10 0 ACAEHO CC(C)[C@@H](C)[C@H](N)C[NH3+] 307675820 346176952 /nfs/dbraw/zinc/17/69/52/346176952.db2.gz DRNFJFMSTVSGRE-RNFRBKRXSA-N 1 3 130.235 0.565 10 0 ACAEHO CC1(C)[C@@H]([NH+]2CC=CC2)C[C@H]1N 307681344 346179687 /nfs/dbraw/zinc/17/96/87/346179687.db2.gz XHIUCQPJRGVALR-BDAKNGLRSA-N 1 3 166.268 0.984 10 0 ACAEHO CC1(C)[C@@H](N)C[C@@H]1[NH+]1CC=CC1 307681346 346179744 /nfs/dbraw/zinc/17/97/44/346179744.db2.gz XHIUCQPJRGVALR-IUCAKERBSA-N 1 3 166.268 0.984 10 0 ACAEHO CC1(C)[C@H](N)C[C@H]1[NH+]1CC=CC1 307681347 346179931 /nfs/dbraw/zinc/17/99/31/346179931.db2.gz XHIUCQPJRGVALR-RKDXNWHRSA-N 1 3 166.268 0.984 10 0 ACAEHO CC1=CCN(C[C@@](C)(O)C[NH3+])CC1 307689628 346184905 /nfs/dbraw/zinc/18/49/05/346184905.db2.gz KLPFQDDXZGTKAP-JTQLQIEISA-N 1 3 184.283 0.348 10 0 ACAEHO CC1=CC[N@H+](C[C@@](C)(O)CN)CC1 307689628 346184907 /nfs/dbraw/zinc/18/49/07/346184907.db2.gz KLPFQDDXZGTKAP-JTQLQIEISA-N 1 3 184.283 0.348 10 0 ACAEHO CC1=CC[N@@H+](C[C@@](C)(O)CN)CC1 307689628 346184909 /nfs/dbraw/zinc/18/49/09/346184909.db2.gz KLPFQDDXZGTKAP-JTQLQIEISA-N 1 3 184.283 0.348 10 0 ACAEHO CC1=CCN(C[C@](C)(O)C[NH3+])CC1 307689629 346185127 /nfs/dbraw/zinc/18/51/27/346185127.db2.gz KLPFQDDXZGTKAP-SNVBAGLBSA-N 1 3 184.283 0.348 10 0 ACAEHO CC1=CC[N@H+](C[C@](C)(O)CN)CC1 307689629 346185128 /nfs/dbraw/zinc/18/51/28/346185128.db2.gz KLPFQDDXZGTKAP-SNVBAGLBSA-N 1 3 184.283 0.348 10 0 ACAEHO CC1=CC[N@@H+](C[C@](C)(O)CN)CC1 307689629 346185130 /nfs/dbraw/zinc/18/51/30/346185130.db2.gz KLPFQDDXZGTKAP-SNVBAGLBSA-N 1 3 184.283 0.348 10 0 ACAEHO C[C@H](CC[NH3+])N1CC=CC1 307699797 346191046 /nfs/dbraw/zinc/19/10/46/346191046.db2.gz KPYWGSZKORRZJQ-MRVPVSSYSA-N 1 3 140.230 0.596 10 0 ACAEHO C[C@@H](CC[NH3+])N1CC=CC1 307699798 346191264 /nfs/dbraw/zinc/19/12/64/346191264.db2.gz KPYWGSZKORRZJQ-QMMMGPOBSA-N 1 3 140.230 0.596 10 0 ACAEHO CC[C@@H](O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 307708186 346195203 /nfs/dbraw/zinc/19/52/03/346195203.db2.gz INESIRZBSNQBDS-HBNTYKKESA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 307708187 346195271 /nfs/dbraw/zinc/19/52/71/346195271.db2.gz INESIRZBSNQBDS-OUAUKWLOSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 307708185 346195290 /nfs/dbraw/zinc/19/52/90/346195290.db2.gz INESIRZBSNQBDS-GMTAPVOTSA-N 1 3 198.310 0.299 10 0 ACAEHO CC[C@@H](O)CN1CC[C@H]2C[NH2+]C[C@H]2C1 307708184 346195511 /nfs/dbraw/zinc/19/55/11/346195511.db2.gz INESIRZBSNQBDS-GARJFASQSA-N 1 3 198.310 0.299 10 0 ACAEHO CC(C)(O)CN1C[C@@H]2C[C@H](C1)C2[NH3+] 307714630 346199381 /nfs/dbraw/zinc/19/93/81/346199381.db2.gz FPFASUSETHQACO-JVHMLUBASA-N 1 3 184.283 0.036 10 0 ACAEHO CCN1CCC(O)(C2C[NH2+]C2)CC1 307721032 346202113 /nfs/dbraw/zinc/20/21/13/346202113.db2.gz PTEYDEBMDWUPOL-UHFFFAOYSA-N 1 3 184.283 0.053 10 0 ACAEHO C[NH+](C)C[C@H]1COC(C)(C)[C@@H]1N 307725326 346204513 /nfs/dbraw/zinc/20/45/13/346204513.db2.gz AVMPKGFWFDJQJC-JGVFFNPUSA-N 1 3 172.272 0.300 10 0 ACAEHO C[NH+](C)C[C@@H]1COC(C)(C)[C@@H]1N 307725323 346204534 /nfs/dbraw/zinc/20/45/34/346204534.db2.gz AVMPKGFWFDJQJC-HTQZYQBOSA-N 1 3 172.272 0.300 10 0 ACAEHO C[NH+](C)C[C@@H]1COC(C)(C)[C@H]1N 307725329 346204592 /nfs/dbraw/zinc/20/45/92/346204592.db2.gz AVMPKGFWFDJQJC-SFYZADRCSA-N 1 3 172.272 0.300 10 0 ACAEHO C[NH+](C)C[C@H]1COC(C)(C)[C@H]1N 307725332 346204776 /nfs/dbraw/zinc/20/47/76/346204776.db2.gz AVMPKGFWFDJQJC-YUMQZZPRSA-N 1 3 172.272 0.300 10 0 ACAEHO CSCC[N@@H+]1CC[C@@H](N)[C@H]1C 307731071 346207992 /nfs/dbraw/zinc/20/79/92/346207992.db2.gz JEYJJPJPXYWKFM-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@H+]1CC[C@@H](N)[C@H]1C 307731071 346207994 /nfs/dbraw/zinc/20/79/94/346207994.db2.gz JEYJJPJPXYWKFM-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@@H+]1CC[C@H](N)[C@H]1C 307731073 346208010 /nfs/dbraw/zinc/20/80/10/346208010.db2.gz JEYJJPJPXYWKFM-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@H+]1CC[C@H](N)[C@H]1C 307731073 346208012 /nfs/dbraw/zinc/20/80/12/346208012.db2.gz JEYJJPJPXYWKFM-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@@H+]1CC[C@H](N)[C@@H]1C 307731102 346208075 /nfs/dbraw/zinc/20/80/75/346208075.db2.gz JEYJJPJPXYWKFM-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@H+]1CC[C@H](N)[C@@H]1C 307731102 346208078 /nfs/dbraw/zinc/20/80/78/346208078.db2.gz JEYJJPJPXYWKFM-YUMQZZPRSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@@H+]1CC[C@@H](N)[C@@H]1C 307731072 346208189 /nfs/dbraw/zinc/20/81/89/346208189.db2.gz JEYJJPJPXYWKFM-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[N@H+]1CC[C@@H](N)[C@@H]1C 307731072 346208191 /nfs/dbraw/zinc/20/81/91/346208191.db2.gz JEYJJPJPXYWKFM-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO CC[NH2+]C[C@@H]1CCCN[C@@H]1C 307758958 346226048 /nfs/dbraw/zinc/22/60/48/346226048.db2.gz QHEZMQFNRBGZPR-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+]C[C@H]1CCCN[C@@H]1C 307758961 346226357 /nfs/dbraw/zinc/22/63/57/346226357.db2.gz QHEZMQFNRBGZPR-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+]C[C@@H]1CCCN[C@H]1C 307758960 346226678 /nfs/dbraw/zinc/22/66/78/346226678.db2.gz QHEZMQFNRBGZPR-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+]C[C@H]1CCCN[C@H]1C 307758959 346226759 /nfs/dbraw/zinc/22/67/59/346226759.db2.gz QHEZMQFNRBGZPR-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@H]1CN(C/C=C\C[NH3+])C[C@@H](C)N1C 308387978 346295802 /nfs/dbraw/zinc/29/58/02/346295802.db2.gz QRGZZMJPIFLABP-WQMVXFAESA-N 1 3 197.326 0.526 10 0 ACAEHO C[C@H]1CN(C/C=C\C[NH3+])C[C@@H](C)N1C 308387979 346295844 /nfs/dbraw/zinc/29/58/44/346295844.db2.gz QRGZZMJPIFLABP-XTDHWIJXSA-N 1 3 197.326 0.526 10 0 ACAEHO CCOC[C@@H]1CCCC[N@@H+]1CCN 313231876 346320778 /nfs/dbraw/zinc/32/07/78/346320778.db2.gz OANVMDHHCVLDHE-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CCOC[C@@H]1CCCC[N@H+]1CCN 313231876 346320781 /nfs/dbraw/zinc/32/07/81/346320781.db2.gz OANVMDHHCVLDHE-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CCOC[C@H]1CCCC[N@@H+]1CCN 313231878 346321282 /nfs/dbraw/zinc/32/12/82/346321282.db2.gz OANVMDHHCVLDHE-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CCOC[C@H]1CCCC[N@H+]1CCN 313231878 346321284 /nfs/dbraw/zinc/32/12/84/346321284.db2.gz OANVMDHHCVLDHE-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO [NH3+]CCCN1CCN(C2CCC2)CC1 328387983 346325214 /nfs/dbraw/zinc/32/52/14/346325214.db2.gz JESWWGSCAHYORU-UHFFFAOYSA-N 1 3 197.326 0.505 10 0 ACAEHO C[C@H]1C[C@H](N(C)CCO)CC[N@@H+]1C 334261963 346336075 /nfs/dbraw/zinc/33/60/75/346336075.db2.gz YQGFMFXLKFNLRN-VHSXEESVSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@H]1C[C@H](N(C)CCO)CC[N@H+]1C 334261963 346336081 /nfs/dbraw/zinc/33/60/81/346336081.db2.gz YQGFMFXLKFNLRN-VHSXEESVSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@H]1C[C@@H](N(C)CCO)CC[N@@H+]1C 334261962 346336470 /nfs/dbraw/zinc/33/64/70/346336470.db2.gz YQGFMFXLKFNLRN-UWVGGRQHSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@H]1C[C@@H](N(C)CCO)CC[N@H+]1C 334261962 346336471 /nfs/dbraw/zinc/33/64/71/346336471.db2.gz YQGFMFXLKFNLRN-UWVGGRQHSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@H](N[C@H]1CC1(C)C)C1C[NH2+]C1 335040320 346376028 /nfs/dbraw/zinc/37/60/28/346376028.db2.gz FOOJBDQVFBKZNV-CBAPKCEASA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]([NH2+][C@H]1CC1(C)C)C1CNC1 335040320 346376029 /nfs/dbraw/zinc/37/60/29/346376029.db2.gz FOOJBDQVFBKZNV-CBAPKCEASA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H](N[C@@H]1CC1(C)C)C1C[NH2+]C1 335040321 346376417 /nfs/dbraw/zinc/37/64/17/346376417.db2.gz FOOJBDQVFBKZNV-IONNQARKSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CC1(C)C)C1CNC1 335040321 346376421 /nfs/dbraw/zinc/37/64/21/346376421.db2.gz FOOJBDQVFBKZNV-IONNQARKSA-N 1 3 168.284 0.982 10 0 ACAEHO Cc1cn[nH]c1CN1CC[C@@H](C[NH3+])C1 335448762 346397360 /nfs/dbraw/zinc/39/73/60/346397360.db2.gz RXGUBCNFBVKQAP-VIFPVBQESA-N 1 3 194.282 0.499 10 0 ACAEHO Cc1cn[nH]c1CN1CC[C@H](C[NH3+])C1 335448761 346397853 /nfs/dbraw/zinc/39/78/53/346397853.db2.gz RXGUBCNFBVKQAP-SECBINFHSA-N 1 3 194.282 0.499 10 0 ACAEHO C[C@H]1C[C@H](NC2C[NH2+]C2)CN1C1CC1 335525306 346403379 /nfs/dbraw/zinc/40/33/79/346403379.db2.gz HWVQPVPRCXEIAH-IUCAKERBSA-N 1 3 195.310 0.173 10 0 ACAEHO C[C@H]1C[C@@H](NC2C[NH2+]C2)CN1C1CC1 335525305 346403393 /nfs/dbraw/zinc/40/33/93/346403393.db2.gz HWVQPVPRCXEIAH-DTWKUNHWSA-N 1 3 195.310 0.173 10 0 ACAEHO C[C@H](NC(=O)C1(N)CCCC1)[C@@H](C)[NH3+] 335663096 346412080 /nfs/dbraw/zinc/41/20/80/346412080.db2.gz QYHBCTMHZJMQAG-SFYZADRCSA-N 1 3 199.298 0.110 10 0 ACAEHO C[C@H]1C[C@H]([NH2+]C2CCNCC2)CO1 335662083 346412105 /nfs/dbraw/zinc/41/21/05/346412105.db2.gz FCDFELYNTHZMGW-WPRPVWTQSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]([NH3+])[C@H](C)NC(=O)C1(N)CCCC1 335663097 346412299 /nfs/dbraw/zinc/41/22/99/346412299.db2.gz QYHBCTMHZJMQAG-YUMQZZPRSA-N 1 3 199.298 0.110 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C2CCNCC2)CO1 335662082 346412335 /nfs/dbraw/zinc/41/23/35/346412335.db2.gz FCDFELYNTHZMGW-WCBMZHEXSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NC(=O)C1(N)CCCC1 335663095 346412384 /nfs/dbraw/zinc/41/23/84/346412384.db2.gz QYHBCTMHZJMQAG-JGVFFNPUSA-N 1 3 199.298 0.110 10 0 ACAEHO C[C@H]1CN(C)CC/C1=C/C[NH3+] 382877426 346535430 /nfs/dbraw/zinc/53/54/30/346535430.db2.gz KWSCTRUCKQQLTP-CLJBBPMWSA-N 1 3 154.257 0.843 10 0 ACAEHO C/C=C\C[NH2+]C[C@@H](O)CN1CCCC1 384758431 346539234 /nfs/dbraw/zinc/53/92/34/346539234.db2.gz PPXZXMHTRROROT-OTDNITJGSA-N 1 3 198.310 0.609 10 0 ACAEHO C/C=C/C[NH2+]C[C@@H](O)CN1CCCC1 384758420 346539244 /nfs/dbraw/zinc/53/92/44/346539244.db2.gz PPXZXMHTRROROT-KXMPLOMGSA-N 1 3 198.310 0.609 10 0 ACAEHO C/C=C\C[NH2+]C[C@H](O)CN1CCCC1 384758432 346539315 /nfs/dbraw/zinc/53/93/15/346539315.db2.gz PPXZXMHTRROROT-QUCGXOGASA-N 1 3 198.310 0.609 10 0 ACAEHO C/C=C/C[NH2+]C[C@H](O)CN1CCCC1 384758439 346539405 /nfs/dbraw/zinc/53/94/05/346539405.db2.gz PPXZXMHTRROROT-VUDBWIFFSA-N 1 3 198.310 0.609 10 0 ACAEHO C/C=C\C[NH2+]C1CCNCC1 384823703 346540283 /nfs/dbraw/zinc/54/02/83/346540283.db2.gz FQVMTGAVJIMSSS-IHWYPQMZSA-N 1 3 154.257 0.904 10 0 ACAEHO COC[C@@H]1CCCCN1CCC[NH3+] 396157181 346588266 /nfs/dbraw/zinc/58/82/66/346588266.db2.gz YLZIRQGWIWVMER-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO CSCCN[C@@H](C)[C@@H]1CC[NH2+]C1 400331365 346600275 /nfs/dbraw/zinc/60/02/75/346600275.db2.gz DVMAOVJVFRFOLX-DTWKUNHWSA-N 1 3 188.340 0.937 10 0 ACAEHO CSCCN[C@@H](C)[C@H]1CC[NH2+]C1 400331367 346600314 /nfs/dbraw/zinc/60/03/14/346600314.db2.gz DVMAOVJVFRFOLX-IUCAKERBSA-N 1 3 188.340 0.937 10 0 ACAEHO CSCCN[C@H](C)[C@H]1CC[NH2+]C1 400331364 346600654 /nfs/dbraw/zinc/60/06/54/346600654.db2.gz DVMAOVJVFRFOLX-BDAKNGLRSA-N 1 3 188.340 0.937 10 0 ACAEHO CSCCN[C@H](C)[C@@H]1CC[NH2+]C1 400331368 346600787 /nfs/dbraw/zinc/60/07/87/346600787.db2.gz DVMAOVJVFRFOLX-RKDXNWHRSA-N 1 3 188.340 0.937 10 0 ACAEHO C[Si](C)(C)CN1CC[C@@H]([NH3+])C1 401639118 346613549 /nfs/dbraw/zinc/61/35/49/346613549.db2.gz GSMIGEYLJUMCQE-MRVPVSSYSA-N 1 3 172.348 0.897 10 0 ACAEHO C[Si](C)(C)CN1CC[C@H]([NH3+])C1 401639122 346613571 /nfs/dbraw/zinc/61/35/71/346613571.db2.gz GSMIGEYLJUMCQE-QMMMGPOBSA-N 1 3 172.348 0.897 10 0 ACAEHO C[C@@H]1CNC[C@@](O)([C@H]2CCC[NH2+]2)C1 401660638 346614840 /nfs/dbraw/zinc/61/48/40/346614840.db2.gz XLCWMDSYYPPFDK-IVZWLZJFSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@@H]1CNC[C@@](O)([C@@H]2CCC[NH2+]2)C1 401660639 346614916 /nfs/dbraw/zinc/61/49/16/346614916.db2.gz XLCWMDSYYPPFDK-LPEHRKFASA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@@H]1CNC[C@](O)([C@@H]2CCC[NH2+]2)C1 401660636 346615023 /nfs/dbraw/zinc/61/50/23/346615023.db2.gz XLCWMDSYYPPFDK-GUBZILKMSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@@H]1CNC[C@](O)([C@H]2CCC[NH2+]2)C1 401660635 346615300 /nfs/dbraw/zinc/61/53/00/346615300.db2.gz XLCWMDSYYPPFDK-AEJSXWLSSA-N 1 3 184.283 0.099 10 0 ACAEHO CCCN[C@H]1C[NH2+]C[C@H](C)C1 401793771 346618356 /nfs/dbraw/zinc/61/83/56/346618356.db2.gz ILKBDSCZJJNPMM-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO CCCN[C@@H]1C[NH2+]C[C@H](C)C1 401793768 346618447 /nfs/dbraw/zinc/61/84/47/346618447.db2.gz ILKBDSCZJJNPMM-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CCCN[C@H]1C[NH2+]C[C@@H](C)C1 401793769 346618504 /nfs/dbraw/zinc/61/85/04/346618504.db2.gz ILKBDSCZJJNPMM-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO CCCN[C@@H]1C[NH2+]C[C@@H](C)C1 401793770 346618541 /nfs/dbraw/zinc/61/85/41/346618541.db2.gz ILKBDSCZJJNPMM-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)N[C@H]1C[NH2+]C[C@H](C)C1 401811641 346619077 /nfs/dbraw/zinc/61/90/77/346619077.db2.gz UONJDQDACAWEOH-RKDXNWHRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)N[C@H]1C[NH2+]C[C@@H](C)C1 401811639 346618779 /nfs/dbraw/zinc/61/87/79/346618779.db2.gz UONJDQDACAWEOH-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)N[C@@H]1C[NH2+]C[C@H](C)C1 401811637 346619010 /nfs/dbraw/zinc/61/90/10/346619010.db2.gz UONJDQDACAWEOH-BDAKNGLRSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)N[C@@H]1C[NH2+]C[C@@H](C)C1 401811640 346619105 /nfs/dbraw/zinc/61/91/05/346619105.db2.gz UONJDQDACAWEOH-IUCAKERBSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@H]1CNC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 401877233 346621432 /nfs/dbraw/zinc/62/14/32/346621432.db2.gz MGPVBKXSGIEXEM-MMWGEVLESA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1CNC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 401877233 346621436 /nfs/dbraw/zinc/62/14/36/346621436.db2.gz MGPVBKXSGIEXEM-MMWGEVLESA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H](N2C[C@H]3C[C@H]3C2)C1 401877233 346621437 /nfs/dbraw/zinc/62/14/37/346621437.db2.gz MGPVBKXSGIEXEM-MMWGEVLESA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1CNC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 401877235 346621852 /nfs/dbraw/zinc/62/18/52/346621852.db2.gz MGPVBKXSGIEXEM-UKKRHICBSA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1CNC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 401877235 346621854 /nfs/dbraw/zinc/62/18/54/346621854.db2.gz MGPVBKXSGIEXEM-UKKRHICBSA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@H](N2C[C@H]3C[C@H]3C2)C1 401877235 346621856 /nfs/dbraw/zinc/62/18/56/346621856.db2.gz MGPVBKXSGIEXEM-UKKRHICBSA-N 1 3 180.295 0.936 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@H](C[NH3+])C2)CO1 401884759 346622574 /nfs/dbraw/zinc/62/25/74/346622574.db2.gz JZNCHLKKRGGORZ-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@H](C[NH3+])C2)CO1 401884764 346622617 /nfs/dbraw/zinc/62/26/17/346622617.db2.gz JZNCHLKKRGGORZ-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@@H](C[NH3+])C2)CO1 401884762 346622629 /nfs/dbraw/zinc/62/26/29/346622629.db2.gz JZNCHLKKRGGORZ-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@H+]1[C@H](C)[C@@H](C)N 401915367 346624474 /nfs/dbraw/zinc/62/44/74/346624474.db2.gz WJSKIQQONLGYFR-JLIMGVALSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](C)N 401915367 346624475 /nfs/dbraw/zinc/62/44/75/346624475.db2.gz WJSKIQQONLGYFR-JLIMGVALSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@H+]1[C@@H](C)[C@@H](C)N 401915369 346624519 /nfs/dbraw/zinc/62/45/19/346624519.db2.gz WJSKIQQONLGYFR-JXUBOQSCSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@@H+]1[C@@H](C)[C@@H](C)N 401915369 346624521 /nfs/dbraw/zinc/62/45/21/346624521.db2.gz WJSKIQQONLGYFR-JXUBOQSCSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1C[C@@H](O)CC[C@@H]1C 401915371 346624602 /nfs/dbraw/zinc/62/46/02/346624602.db2.gz WJSKIQQONLGYFR-QEYWKRMJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1C[C@@H](O)CC[C@@H]1C 401915371 346624604 /nfs/dbraw/zinc/62/46/04/346624604.db2.gz WJSKIQQONLGYFR-QEYWKRMJSA-N 1 3 186.299 0.567 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H]2CC[C@H]([NH3+])C2)CO1 402062997 346626887 /nfs/dbraw/zinc/62/68/87/346626887.db2.gz GADOEBGROXOIHO-KATARQTJSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]([NH3+])C2)CO1 402062998 346627015 /nfs/dbraw/zinc/62/70/15/346627015.db2.gz GADOEBGROXOIHO-KYXWUPHJSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H]2CC[C@@H]([NH3+])C2)CO1 402062995 346627166 /nfs/dbraw/zinc/62/71/66/346627166.db2.gz GADOEBGROXOIHO-IMSYWVGJSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@H](N[C@@H]2CC[C@H]([NH3+])C2)CO1 402063000 346627195 /nfs/dbraw/zinc/62/71/95/346627195.db2.gz GADOEBGROXOIHO-RGOKHQFPSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC([NH3+])C2)CO1 402103853 346627514 /nfs/dbraw/zinc/62/75/14/346627514.db2.gz RYHOFWSRCONSOM-KHONBHQKSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@H]1CC[C@@H](NC2CC([NH3+])C2)CO1 402165966 346627585 /nfs/dbraw/zinc/62/75/85/346627585.db2.gz SNDIPJXXXOAQNF-QGVKSAJWSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H]1C[C@@H](NC2CC([NH3+])C2)CO1 402103852 346627627 /nfs/dbraw/zinc/62/76/27/346627627.db2.gz RYHOFWSRCONSOM-DFAZKQQPSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@@H]1CC[C@H](NC2CC([NH3+])C2)CO1 402165968 346627660 /nfs/dbraw/zinc/62/76/60/346627660.db2.gz SNDIPJXXXOAQNF-RJQCTPFPSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC([NH3+])C2)CO1 402103857 346627692 /nfs/dbraw/zinc/62/76/92/346627692.db2.gz RYHOFWSRCONSOM-MDVIFZSFSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@H]1CC[C@H](NC2CC([NH3+])C2)CO1 402165962 346627700 /nfs/dbraw/zinc/62/77/00/346627700.db2.gz SNDIPJXXXOAQNF-FMLYDFSMSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@H]1C[C@H](NC2CC([NH3+])C2)CO1 402103855 346627793 /nfs/dbraw/zinc/62/77/93/346627793.db2.gz RYHOFWSRCONSOM-KRTGUUSXSA-N 1 3 170.256 0.243 10 0 ACAEHO C[C@@H]1CC[C@@H](NC2CC([NH3+])C2)CO1 402165964 346627875 /nfs/dbraw/zinc/62/78/75/346627875.db2.gz SNDIPJXXXOAQNF-PRWFHZCQSA-N 1 3 184.283 0.633 10 0 ACAEHO NC1(C[NH3+])C[C@@H]2CC[C@H](C1)S2 403639652 346637763 /nfs/dbraw/zinc/63/77/63/346637763.db2.gz PCCPIFKVSLHCRB-DHBOJHSNSA-N 1 3 172.297 0.701 10 0 ACAEHO C[C@H]1CCC[NH2+][C@H]1CCN 404313586 346641025 /nfs/dbraw/zinc/64/10/25/346641025.db2.gz YFDMMDQMBTWWPS-YUMQZZPRSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1CCC[NH2+][C@@H]1CCN 404313583 346641199 /nfs/dbraw/zinc/64/11/99/346641199.db2.gz YFDMMDQMBTWWPS-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@H]1CCC[NH2+][C@@H]1CCN 404313584 346641297 /nfs/dbraw/zinc/64/12/97/346641297.db2.gz YFDMMDQMBTWWPS-JGVFFNPUSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1CCC[NH2+][C@H]1CCN 404313585 346641346 /nfs/dbraw/zinc/64/13/46/346641346.db2.gz YFDMMDQMBTWWPS-SFYZADRCSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1CN[C@@H](C)[C@H]([NH3+])C1 404475012 346644781 /nfs/dbraw/zinc/64/47/81/346644781.db2.gz GHIMDMSARIMHPX-LYFYHCNISA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1CN[C@@H](C)[C@@H]([NH3+])C1 404475008 346644805 /nfs/dbraw/zinc/64/48/05/346644805.db2.gz GHIMDMSARIMHPX-ACZMJKKPSA-N 1 3 128.219 0.332 10 0 ACAEHO C[C@@H]1CN[C@H](C)[C@H]([NH3+])C1 404475015 346644943 /nfs/dbraw/zinc/64/49/43/346644943.db2.gz GHIMDMSARIMHPX-RRKCRQDMSA-N 1 3 128.219 0.332 10 0 ACAEHO N[C@H]1C[C@H]([NH3+])C12CCC2 404683725 346649206 /nfs/dbraw/zinc/64/92/06/346649206.db2.gz FBGMRZAGVKTVRG-WDSKDSINSA-N 1 3 126.203 0.215 10 0 ACAEHO N[C@@H]1C[C@@H]([NH3+])C12CCC2 404683724 346649452 /nfs/dbraw/zinc/64/94/52/346649452.db2.gz FBGMRZAGVKTVRG-PHDIDXHHSA-N 1 3 126.203 0.215 10 0 ACAEHO CN(C)CC(C)(C)C(N)=[NH2+] 405066135 346656460 /nfs/dbraw/zinc/65/64/60/346656460.db2.gz ATLOAGXPRIXDFG-UHFFFAOYSA-N 1 3 143.234 0.510 10 0 ACAEHO CC(C)(CN1CCC1)C(N)=[NH2+] 405075783 346657113 /nfs/dbraw/zinc/65/71/13/346657113.db2.gz IMMVUHWOKNWZLR-UHFFFAOYSA-N 1 3 155.245 0.654 10 0 ACAEHO CN(C)CC(C)(C)C(=[NH2+])NO 405107208 346657784 /nfs/dbraw/zinc/65/77/84/346657784.db2.gz ZCSVNBXDZYZSHG-UHFFFAOYSA-N 1 3 159.233 0.530 10 0 ACAEHO NCC1(C(=[NH2+])NO)CCCC1 405171871 346658759 /nfs/dbraw/zinc/65/87/59/346658759.db2.gz OKAJUXOMBWHHFS-UHFFFAOYSA-N 1 3 157.217 0.462 10 0 ACAEHO CC1(C)[C@H]([NH3+])C[C@H]1N1CC[C@H](O)C1 405222499 346660253 /nfs/dbraw/zinc/66/02/53/346660253.db2.gz BLSDNWZPDLCXLY-DJLDLDEBSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@H](N)C[C@H]1[N@@H+]1CC[C@H](O)C1 405222499 346660254 /nfs/dbraw/zinc/66/02/54/346660254.db2.gz BLSDNWZPDLCXLY-DJLDLDEBSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@H](N)C[C@H]1[N@H+]1CC[C@H](O)C1 405222499 346660257 /nfs/dbraw/zinc/66/02/57/346660257.db2.gz BLSDNWZPDLCXLY-DJLDLDEBSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@@H](N2CC[C@@H](O)C2)C[C@H]1[NH3+] 405222501 346660311 /nfs/dbraw/zinc/66/03/11/346660311.db2.gz BLSDNWZPDLCXLY-HLTSFMKQSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@@H]([N@@H+]2CC[C@@H](O)C2)C[C@H]1N 405222501 346660313 /nfs/dbraw/zinc/66/03/13/346660313.db2.gz BLSDNWZPDLCXLY-HLTSFMKQSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@@H]([N@H+]2CC[C@@H](O)C2)C[C@H]1N 405222501 346660315 /nfs/dbraw/zinc/66/03/15/346660315.db2.gz BLSDNWZPDLCXLY-HLTSFMKQSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@H]([NH3+])C[C@H]1N1CC[C@@H](O)C1 405222502 346660363 /nfs/dbraw/zinc/66/03/63/346660363.db2.gz BLSDNWZPDLCXLY-IWSPIJDZSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@H](N)C[C@H]1[N@@H+]1CC[C@@H](O)C1 405222502 346660366 /nfs/dbraw/zinc/66/03/66/346660366.db2.gz BLSDNWZPDLCXLY-IWSPIJDZSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@H](N)C[C@H]1[N@H+]1CC[C@@H](O)C1 405222502 346660369 /nfs/dbraw/zinc/66/03/69/346660369.db2.gz BLSDNWZPDLCXLY-IWSPIJDZSA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@@H](N2CC[C@H](O)C2)C[C@H]1[NH3+] 405222503 346660574 /nfs/dbraw/zinc/66/05/74/346660574.db2.gz BLSDNWZPDLCXLY-YIZRAAEISA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@@H]([N@@H+]2CC[C@H](O)C2)C[C@H]1N 405222503 346660579 /nfs/dbraw/zinc/66/05/79/346660579.db2.gz BLSDNWZPDLCXLY-YIZRAAEISA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@@H]([N@H+]2CC[C@H](O)C2)C[C@H]1N 405222503 346660582 /nfs/dbraw/zinc/66/05/82/346660582.db2.gz BLSDNWZPDLCXLY-YIZRAAEISA-N 1 3 184.283 0.179 10 0 ACAEHO CC1(C)[C@H]([NH3+])C[C@H]1N[C@@H]1CCOC1 405289388 346662821 /nfs/dbraw/zinc/66/28/21/346662821.db2.gz INEMZYKHPRVUFP-IWSPIJDZSA-N 1 3 184.283 0.491 10 0 ACAEHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H]1CCOC1 405289388 346662823 /nfs/dbraw/zinc/66/28/23/346662823.db2.gz INEMZYKHPRVUFP-IWSPIJDZSA-N 1 3 184.283 0.491 10 0 ACAEHO CC1(C)[C@@H](N[C@@H]2CCOC2)C[C@H]1[NH3+] 405289386 346662862 /nfs/dbraw/zinc/66/28/62/346662862.db2.gz INEMZYKHPRVUFP-HLTSFMKQSA-N 1 3 184.283 0.491 10 0 ACAEHO CC1(C)[C@@H]([NH2+][C@@H]2CCOC2)C[C@H]1N 405289386 346662865 /nfs/dbraw/zinc/66/28/65/346662865.db2.gz INEMZYKHPRVUFP-HLTSFMKQSA-N 1 3 184.283 0.491 10 0 ACAEHO CN[C@@H]1C[C@@H]([NH3+])C1(C)C 405339949 346663892 /nfs/dbraw/zinc/66/38/92/346663892.db2.gz CDLGXKRNVCJPGN-PHDIDXHHSA-N 1 3 128.219 0.332 10 0 ACAEHO CN[C@@H]1C[C@H]([NH3+])C1(C)C 405339948 346664199 /nfs/dbraw/zinc/66/41/99/346664199.db2.gz CDLGXKRNVCJPGN-NTSWFWBYSA-N 1 3 128.219 0.332 10 0 ACAEHO CN[C@H]1C[C@H]([NH3+])C1(C)C 405339951 346664219 /nfs/dbraw/zinc/66/42/19/346664219.db2.gz CDLGXKRNVCJPGN-WDSKDSINSA-N 1 3 128.219 0.332 10 0 ACAEHO CN[C@H]1C[C@@H]([NH3+])C1(C)C 405339950 346664253 /nfs/dbraw/zinc/66/42/53/346664253.db2.gz CDLGXKRNVCJPGN-RITPCOANSA-N 1 3 128.219 0.332 10 0 ACAEHO CCCN1CCN2C[C@@H]([NH3+])C[C@H]2C1 405388443 346664616 /nfs/dbraw/zinc/66/46/16/346664616.db2.gz LRYNEBORFBFFLT-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CCCN1CCN2C[C@H]([NH3+])C[C@@H]2C1 405388442 346664747 /nfs/dbraw/zinc/66/47/47/346664747.db2.gz LRYNEBORFBFFLT-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO CCCN1CCN2C[C@@H]([NH3+])C[C@@H]2C1 405388445 346664759 /nfs/dbraw/zinc/66/47/59/346664759.db2.gz LRYNEBORFBFFLT-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CCCN1CCN2C[C@H]([NH3+])C[C@H]2C1 405388447 346664992 /nfs/dbraw/zinc/66/49/92/346664992.db2.gz LRYNEBORFBFFLT-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CC1(C)[C@@H]([NH3+])C[C@H]1NC1CC1 405398426 346665285 /nfs/dbraw/zinc/66/52/85/346665285.db2.gz PFCIKFAPKMKSFL-JGVFFNPUSA-N 1 3 154.257 0.864 10 0 ACAEHO CC(C)N1CCN2C[C@H]([NH3+])C[C@H]2C1 405397747 346665379 /nfs/dbraw/zinc/66/53/79/346665379.db2.gz OVMWFKDAPQEHKO-ZJUUUORDSA-N 1 3 183.299 0.112 10 0 ACAEHO CC1(C)[C@H]([NH3+])C[C@H]1NC1CC1 405398425 346665541 /nfs/dbraw/zinc/66/55/41/346665541.db2.gz PFCIKFAPKMKSFL-HTQZYQBOSA-N 1 3 154.257 0.864 10 0 ACAEHO CC(C)N1CCN2C[C@@H]([NH3+])C[C@@H]2C1 405397746 346665569 /nfs/dbraw/zinc/66/55/69/346665569.db2.gz OVMWFKDAPQEHKO-VHSXEESVSA-N 1 3 183.299 0.112 10 0 ACAEHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC1CC1 405398429 346665704 /nfs/dbraw/zinc/66/57/04/346665704.db2.gz PFCIKFAPKMKSFL-YUMQZZPRSA-N 1 3 154.257 0.864 10 0 ACAEHO CC1(C)[C@@H](NC2CC2)C[C@H]1[NH3+] 405398428 346665752 /nfs/dbraw/zinc/66/57/52/346665752.db2.gz PFCIKFAPKMKSFL-SFYZADRCSA-N 1 3 154.257 0.864 10 0 ACAEHO CC(C)N1CCN2C[C@@H]([NH3+])C[C@H]2C1 405397745 346665772 /nfs/dbraw/zinc/66/57/72/346665772.db2.gz OVMWFKDAPQEHKO-UWVGGRQHSA-N 1 3 183.299 0.112 10 0 ACAEHO CN[C@H]1C[C@@H]([NH3+])C12CCC2 405415012 346665956 /nfs/dbraw/zinc/66/59/56/346665956.db2.gz OGKYGAGEWORGIX-RQJHMYQMSA-N 1 3 140.230 0.476 10 0 ACAEHO CN[C@H]1C[C@H]([NH3+])C12CCC2 405415008 346665963 /nfs/dbraw/zinc/66/59/63/346665963.db2.gz OGKYGAGEWORGIX-BQBZGAKWSA-N 1 3 140.230 0.476 10 0 ACAEHO CN[C@@H]1C[C@@H]([NH3+])C12CCC2 405415011 346666028 /nfs/dbraw/zinc/66/60/28/346666028.db2.gz OGKYGAGEWORGIX-RNFRBKRXSA-N 1 3 140.230 0.476 10 0 ACAEHO CCN[C@@H]1C[C@H]([NH3+])C12CCC2 405421315 346666042 /nfs/dbraw/zinc/66/60/42/346666042.db2.gz PVTRINBLDQUSMH-JGVFFNPUSA-N 1 3 154.257 0.866 10 0 ACAEHO CCN[C@H]1C[C@@H]([NH3+])C12CCC2 405421317 346666098 /nfs/dbraw/zinc/66/60/98/346666098.db2.gz PVTRINBLDQUSMH-SFYZADRCSA-N 1 3 154.257 0.866 10 0 ACAEHO CN[C@@H]1C[C@H]([NH3+])C12CCC2 405415010 346666143 /nfs/dbraw/zinc/66/61/43/346666143.db2.gz OGKYGAGEWORGIX-NKWVEPMBSA-N 1 3 140.230 0.476 10 0 ACAEHO CCN[C@H]1C[C@H]([NH3+])C12CCC2 405421319 346666179 /nfs/dbraw/zinc/66/61/79/346666179.db2.gz PVTRINBLDQUSMH-YUMQZZPRSA-N 1 3 154.257 0.866 10 0 ACAEHO CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 405421314 346666304 /nfs/dbraw/zinc/66/63/04/346666304.db2.gz PVTRINBLDQUSMH-HTQZYQBOSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H]1OC[C@@H](NC2CC([NH3+])C2)[C@@H]1C 405529384 346667257 /nfs/dbraw/zinc/66/72/57/346667257.db2.gz ARIXGJMALCNDAH-DJAYFPKFSA-N 1 3 184.283 0.489 10 0 ACAEHO C[C@@H]1OC[C@H](NC2CC([NH3+])C2)[C@@H]1C 405529379 346667363 /nfs/dbraw/zinc/66/73/63/346667363.db2.gz ARIXGJMALCNDAH-ACLMFKJJSA-N 1 3 184.283 0.489 10 0 ACAEHO C[C@@H]1OC[C@H](NC2CC([NH3+])C2)[C@H]1C 405529387 346667407 /nfs/dbraw/zinc/66/74/07/346667407.db2.gz ARIXGJMALCNDAH-MPJGXYLBSA-N 1 3 184.283 0.489 10 0 ACAEHO C[C@]1(N)CC[N@@H+]([C@H]2CCSC2)C1 405763211 346672459 /nfs/dbraw/zinc/67/24/59/346672459.db2.gz HXWWUABMYDAMTQ-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@]1(N)CC[N@H+]([C@H]2CCSC2)C1 405763211 346672460 /nfs/dbraw/zinc/67/24/60/346672460.db2.gz HXWWUABMYDAMTQ-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@@]1(N)CC[N@@H+]([C@@H]2CCSC2)C1 405763212 346672505 /nfs/dbraw/zinc/67/25/05/346672505.db2.gz HXWWUABMYDAMTQ-RKDXNWHRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@@]1(N)CC[N@H+]([C@@H]2CCSC2)C1 405763212 346672508 /nfs/dbraw/zinc/67/25/08/346672508.db2.gz HXWWUABMYDAMTQ-RKDXNWHRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@]1(N)CC[N@@H+]([C@@H]2CCSC2)C1 405763209 346672625 /nfs/dbraw/zinc/67/26/25/346672625.db2.gz HXWWUABMYDAMTQ-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@]1(N)CC[N@H+]([C@@H]2CCSC2)C1 405763209 346672627 /nfs/dbraw/zinc/67/26/27/346672627.db2.gz HXWWUABMYDAMTQ-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@@]1(N)CC[N@@H+]([C@H]2CCSC2)C1 405763210 346672666 /nfs/dbraw/zinc/67/26/66/346672666.db2.gz HXWWUABMYDAMTQ-DTWKUNHWSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@@]1(N)CC[N@H+]([C@H]2CCSC2)C1 405763210 346672670 /nfs/dbraw/zinc/67/26/70/346672670.db2.gz HXWWUABMYDAMTQ-DTWKUNHWSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@]1(N)CC[N@@H+]([C@@H]2CCC[C@@H]2O)C1 405781000 346673868 /nfs/dbraw/zinc/67/38/68/346673868.db2.gz HHUWJKQSAHVNDP-UTLUCORTSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@H+]([C@@H]2CCC[C@@H]2O)C1 405781000 346673870 /nfs/dbraw/zinc/67/38/70/346673870.db2.gz HHUWJKQSAHVNDP-UTLUCORTSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@@H+]([C@H]2CCC[C@@H]2O)C1 405780999 346673977 /nfs/dbraw/zinc/67/39/77/346673977.db2.gz HHUWJKQSAHVNDP-GUBZILKMSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@H+]([C@H]2CCC[C@@H]2O)C1 405780999 346673979 /nfs/dbraw/zinc/67/39/79/346673979.db2.gz HHUWJKQSAHVNDP-GUBZILKMSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 405780997 346674106 /nfs/dbraw/zinc/67/41/06/346674106.db2.gz HHUWJKQSAHVNDP-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 405780997 346674107 /nfs/dbraw/zinc/67/41/07/346674107.db2.gz HHUWJKQSAHVNDP-BBBLOLIVSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@@H+]([C@H]2CCC[C@H]2O)C1 405780995 346674194 /nfs/dbraw/zinc/67/41/94/346674194.db2.gz HHUWJKQSAHVNDP-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@]1(N)CC[N@H+]([C@H]2CCC[C@H]2O)C1 405780995 346674197 /nfs/dbraw/zinc/67/41/97/346674197.db2.gz HHUWJKQSAHVNDP-AEJSXWLSSA-N 1 3 184.283 0.323 10 0 ACAEHO CN1CC[C@@H](N2CC[C@@](C)([NH3+])C2)C1 405805541 346674589 /nfs/dbraw/zinc/67/45/89/346674589.db2.gz RFZCZOSNDAYISI-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H](N2CC[C@@](C)([NH3+])C2)C1 405805550 346674696 /nfs/dbraw/zinc/67/46/96/346674696.db2.gz RFZCZOSNDAYISI-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CC[C@H](N2CC[C@](C)([NH3+])C2)C1 405805546 346674705 /nfs/dbraw/zinc/67/47/05/346674705.db2.gz RFZCZOSNDAYISI-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 405798737 346674766 /nfs/dbraw/zinc/67/47/66/346674766.db2.gz JKBSVZGQSCYYHF-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+]1CC[C@](C)(N)C1 405798737 346674768 /nfs/dbraw/zinc/67/47/68/346674768.db2.gz JKBSVZGQSCYYHF-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CC[C@](C)(N)C1 405798730 346674893 /nfs/dbraw/zinc/67/48/93/346674893.db2.gz JKBSVZGQSCYYHF-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CC[C@](C)(N)C1 405798730 346674896 /nfs/dbraw/zinc/67/48/96/346674896.db2.gz JKBSVZGQSCYYHF-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 405798740 346674974 /nfs/dbraw/zinc/67/49/74/346674974.db2.gz JKBSVZGQSCYYHF-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)[C@H](C)[N@H+]1CC[C@@](C)(N)C1 405798740 346674976 /nfs/dbraw/zinc/67/49/76/346674976.db2.gz JKBSVZGQSCYYHF-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO CN1CC[C@@H](N2CC[C@](C)([NH3+])C2)C1 405805555 346675002 /nfs/dbraw/zinc/67/50/02/346675002.db2.gz RFZCZOSNDAYISI-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 405798733 346675131 /nfs/dbraw/zinc/67/51/31/346675131.db2.gz 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409431795 346692634 /nfs/dbraw/zinc/69/26/34/346692634.db2.gz SSRRAHXBOCHIBQ-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H]1C[N@@H+](CCCN)C[C@H]1C 409431795 346692636 /nfs/dbraw/zinc/69/26/36/346692636.db2.gz SSRRAHXBOCHIBQ-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@@H]1C[N@H+](CCCN)C[C@H]1C 409431798 346692757 /nfs/dbraw/zinc/69/27/57/346692757.db2.gz SSRRAHXBOCHIBQ-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@@H]1C[N@@H+](CCCN)C[C@H]1C 409431798 346692759 /nfs/dbraw/zinc/69/27/59/346692759.db2.gz SSRRAHXBOCHIBQ-ZJUUUORDSA-N 1 3 186.299 0.550 10 0 ACAEHO CCOC[C@H]1CCN(CCC[NH3+])C1 409431849 346692810 /nfs/dbraw/zinc/69/28/10/346692810.db2.gz TYTFPGGLHHIZII-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO CCOC[C@H]1CC[N@H+](CCCN)C1 409431849 346692813 /nfs/dbraw/zinc/69/28/13/346692813.db2.gz TYTFPGGLHHIZII-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO CCOC[C@H]1CC[N@@H+](CCCN)C1 409431849 346692816 /nfs/dbraw/zinc/69/28/16/346692816.db2.gz TYTFPGGLHHIZII-JTQLQIEISA-N 1 3 186.299 0.694 10 0 ACAEHO C[C@H](O)[C@H]1CCC[N@@H+]1CCCN 409432809 346694759 /nfs/dbraw/zinc/69/47/59/346694759.db2.gz WKYHYIRJPSQEKM-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](O)[C@H]1CCC[N@H+]1CCCN 409432809 346694762 /nfs/dbraw/zinc/69/47/62/346694762.db2.gz WKYHYIRJPSQEKM-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](O)[C@@H]1CCC[N@@H+]1CCCN 409432810 346694838 /nfs/dbraw/zinc/69/48/38/346694838.db2.gz WKYHYIRJPSQEKM-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H](O)[C@@H]1CCC[N@H+]1CCCN 409432810 346694840 /nfs/dbraw/zinc/69/48/40/346694840.db2.gz WKYHYIRJPSQEKM-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](O)[C@@H]1CCC[N@@H+]1CCCN 409432801 346694870 /nfs/dbraw/zinc/69/48/70/346694870.db2.gz WKYHYIRJPSQEKM-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](O)[C@@H]1CCC[N@H+]1CCCN 409432801 346694872 /nfs/dbraw/zinc/69/48/72/346694872.db2.gz WKYHYIRJPSQEKM-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](O)[C@H]1CCC[N@@H+]1CCCN 409432813 346695059 /nfs/dbraw/zinc/69/50/59/346695059.db2.gz WKYHYIRJPSQEKM-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](O)[C@H]1CCC[N@H+]1CCCN 409432813 346695063 /nfs/dbraw/zinc/69/50/63/346695063.db2.gz WKYHYIRJPSQEKM-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN1CCOC2(CC[NH2+]CC2)CC1 409432792 346695186 /nfs/dbraw/zinc/69/51/86/346695186.db2.gz OYTCWKQPNGYMRJ-UHFFFAOYSA-N 1 3 184.283 0.461 10 0 ACAEHO [NH3+]CCCN1C[C@H]2CCC[C@]2(CO)C1 409433298 346695564 /nfs/dbraw/zinc/69/55/64/346695564.db2.gz MLMNENORIQGDOT-GHMZBOCLSA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@@H+]1C[C@H]2CCC[C@]2(CO)C1 409433298 346695567 /nfs/dbraw/zinc/69/55/67/346695567.db2.gz MLMNENORIQGDOT-GHMZBOCLSA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@H+]1C[C@H]2CCC[C@]2(CO)C1 409433298 346695571 /nfs/dbraw/zinc/69/55/71/346695571.db2.gz MLMNENORIQGDOT-GHMZBOCLSA-N 1 3 198.310 0.430 10 0 ACAEHO [NH3+]CCCN1C[C@@H]2CCC[C@@]2(CO)C1 409433300 346695635 /nfs/dbraw/zinc/69/56/35/346695635.db2.gz MLMNENORIQGDOT-QWRGUYRKSA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@@H+]1C[C@@H]2CCC[C@@]2(CO)C1 409433300 346695640 /nfs/dbraw/zinc/69/56/40/346695640.db2.gz MLMNENORIQGDOT-QWRGUYRKSA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@H+]1C[C@@H]2CCC[C@@]2(CO)C1 409433300 346695641 /nfs/dbraw/zinc/69/56/41/346695641.db2.gz MLMNENORIQGDOT-QWRGUYRKSA-N 1 3 198.310 0.430 10 0 ACAEHO [NH3+]CCCN1C[C@H]2CCC[C@@]2(CO)C1 409433299 346695965 /nfs/dbraw/zinc/69/59/65/346695965.db2.gz MLMNENORIQGDOT-MNOVXSKESA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@@H+]1C[C@H]2CCC[C@@]2(CO)C1 409433299 346695968 /nfs/dbraw/zinc/69/59/68/346695968.db2.gz MLMNENORIQGDOT-MNOVXSKESA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@H+]1C[C@H]2CCC[C@@]2(CO)C1 409433299 346695970 /nfs/dbraw/zinc/69/59/70/346695970.db2.gz MLMNENORIQGDOT-MNOVXSKESA-N 1 3 198.310 0.430 10 0 ACAEHO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCCN 409433901 346696267 /nfs/dbraw/zinc/69/62/67/346696267.db2.gz ZFNSQDZSHDFLDA-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)[C@H]1CCCC[N@H+]1CCCN 409433901 346696269 /nfs/dbraw/zinc/69/62/69/346696269.db2.gz ZFNSQDZSHDFLDA-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)[C@H]1CCCCN1CCC[NH3+] 409433901 346696272 /nfs/dbraw/zinc/69/62/72/346696272.db2.gz ZFNSQDZSHDFLDA-NXEZZACHSA-N 1 3 186.299 0.571 10 0 ACAEHO CC1(C)CN(CCC[NH3+])C[C@@H]1CO 409434070 346696305 /nfs/dbraw/zinc/69/63/05/346696305.db2.gz OBGRGFXUTZUBOK-SECBINFHSA-N 1 3 186.299 0.286 10 0 ACAEHO CC1(C)C[N@H+](CCCN)C[C@@H]1CO 409434070 346696307 /nfs/dbraw/zinc/69/63/07/346696307.db2.gz OBGRGFXUTZUBOK-SECBINFHSA-N 1 3 186.299 0.286 10 0 ACAEHO CC1(C)C[N@@H+](CCCN)C[C@@H]1CO 409434070 346696312 /nfs/dbraw/zinc/69/63/12/346696312.db2.gz OBGRGFXUTZUBOK-SECBINFHSA-N 1 3 186.299 0.286 10 0 ACAEHO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCCN 409433904 346696322 /nfs/dbraw/zinc/69/63/22/346696322.db2.gz ZFNSQDZSHDFLDA-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)[C@@H]1CCCC[N@H+]1CCCN 409433904 346696327 /nfs/dbraw/zinc/69/63/27/346696327.db2.gz ZFNSQDZSHDFLDA-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)[C@@H]1CCCCN1CCC[NH3+] 409433904 346696331 /nfs/dbraw/zinc/69/63/31/346696331.db2.gz ZFNSQDZSHDFLDA-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCN 409433907 346696346 /nfs/dbraw/zinc/69/63/46/346696346.db2.gz ZFNSQDZSHDFLDA-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCCN 409433907 346696350 /nfs/dbraw/zinc/69/63/50/346696350.db2.gz ZFNSQDZSHDFLDA-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](O)[C@@H]1CCCCN1CCC[NH3+] 409433907 346696353 /nfs/dbraw/zinc/69/63/53/346696353.db2.gz ZFNSQDZSHDFLDA-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)[C@H]1CCCC[N@@H+]1CCCN 409433906 346696539 /nfs/dbraw/zinc/69/65/39/346696539.db2.gz ZFNSQDZSHDFLDA-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)[C@H]1CCCC[N@H+]1CCCN 409433906 346696542 /nfs/dbraw/zinc/69/65/42/346696542.db2.gz ZFNSQDZSHDFLDA-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H](O)[C@H]1CCCCN1CCC[NH3+] 409433906 346696546 /nfs/dbraw/zinc/69/65/46/346696546.db2.gz ZFNSQDZSHDFLDA-VHSXEESVSA-N 1 3 186.299 0.571 10 0 ACAEHO CC1(C)CN(CCC[NH3+])C[C@H]1CO 409434071 346696858 /nfs/dbraw/zinc/69/68/58/346696858.db2.gz OBGRGFXUTZUBOK-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO CC1(C)C[N@H+](CCCN)C[C@H]1CO 409434071 346696859 /nfs/dbraw/zinc/69/68/59/346696859.db2.gz OBGRGFXUTZUBOK-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO CC1(C)C[N@@H+](CCCN)C[C@H]1CO 409434071 346696860 /nfs/dbraw/zinc/69/68/60/346696860.db2.gz OBGRGFXUTZUBOK-VIFPVBQESA-N 1 3 186.299 0.286 10 0 ACAEHO [NH3+]CCCN1CCOC[C@@H]2CCC[C@@H]21 409435382 346698044 /nfs/dbraw/zinc/69/80/44/346698044.db2.gz UIIJVXLDQFLJEG-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+]1CCOC[C@@H]2CCC[C@@H]21 409435382 346698047 /nfs/dbraw/zinc/69/80/47/346698047.db2.gz UIIJVXLDQFLJEG-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@H+]1CCOC[C@@H]2CCC[C@@H]21 409435382 346698049 /nfs/dbraw/zinc/69/80/49/346698049.db2.gz UIIJVXLDQFLJEG-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN1CCOC[C@@H]2CCC[C@H]21 409435383 346698225 /nfs/dbraw/zinc/69/82/25/346698225.db2.gz UIIJVXLDQFLJEG-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+]1CCOC[C@@H]2CCC[C@H]21 409435383 346698228 /nfs/dbraw/zinc/69/82/28/346698228.db2.gz UIIJVXLDQFLJEG-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@H+]1CCOC[C@@H]2CCC[C@H]21 409435383 346698233 /nfs/dbraw/zinc/69/82/33/346698233.db2.gz UIIJVXLDQFLJEG-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN1CCOC[C@H]2CCC[C@H]21 409435380 346698425 /nfs/dbraw/zinc/69/84/25/346698425.db2.gz UIIJVXLDQFLJEG-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+]1CCOC[C@H]2CCC[C@H]21 409435380 346698431 /nfs/dbraw/zinc/69/84/31/346698431.db2.gz UIIJVXLDQFLJEG-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@H+]1CCOC[C@H]2CCC[C@H]21 409435380 346698433 /nfs/dbraw/zinc/69/84/33/346698433.db2.gz UIIJVXLDQFLJEG-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN1CCOC[C@H]2CCC[C@@H]21 409435381 346698643 /nfs/dbraw/zinc/69/86/43/346698643.db2.gz UIIJVXLDQFLJEG-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@@H+]1CCOC[C@H]2CCC[C@@H]21 409435381 346698645 /nfs/dbraw/zinc/69/86/45/346698645.db2.gz UIIJVXLDQFLJEG-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO NCCC[N@H+]1CCOC[C@H]2CCC[C@@H]21 409435381 346698647 /nfs/dbraw/zinc/69/86/47/346698647.db2.gz UIIJVXLDQFLJEG-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]CCCN1C[C@H](CO)C2(CCC2)C1 409435987 346699284 /nfs/dbraw/zinc/69/92/84/346699284.db2.gz XPJMYHCZJSGAMY-SNVBAGLBSA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@@H+]1C[C@H](CO)C2(CCC2)C1 409435987 346699288 /nfs/dbraw/zinc/69/92/88/346699288.db2.gz XPJMYHCZJSGAMY-SNVBAGLBSA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@H+]1C[C@H](CO)C2(CCC2)C1 409435987 346699290 /nfs/dbraw/zinc/69/92/90/346699290.db2.gz XPJMYHCZJSGAMY-SNVBAGLBSA-N 1 3 198.310 0.430 10 0 ACAEHO [NH3+]CCCN1C[C@@H](CO)C2(CCC2)C1 409435986 346699389 /nfs/dbraw/zinc/69/93/89/346699389.db2.gz XPJMYHCZJSGAMY-JTQLQIEISA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@@H+]1C[C@@H](CO)C2(CCC2)C1 409435986 346699392 /nfs/dbraw/zinc/69/93/92/346699392.db2.gz XPJMYHCZJSGAMY-JTQLQIEISA-N 1 3 198.310 0.430 10 0 ACAEHO NCCC[N@H+]1C[C@@H](CO)C2(CCC2)C1 409435986 346699393 /nfs/dbraw/zinc/69/93/93/346699393.db2.gz XPJMYHCZJSGAMY-JTQLQIEISA-N 1 3 198.310 0.430 10 0 ACAEHO CN(C1CCC([NH3+])CC1)C1COC1 575166186 346715343 /nfs/dbraw/zinc/71/53/43/346715343.db2.gz FWVJLHVMLIJJLA-UHFFFAOYSA-N 1 3 184.283 0.587 10 0 ACAEHO N[C@H]1c2ccccc2[C@@H]([NH3+])C[C@@H]1O 575624215 346718774 /nfs/dbraw/zinc/71/87/74/346718774.db2.gz PDUXSANESZWPCK-GUBZILKMSA-N 1 3 178.235 0.451 10 0 ACAEHO N[C@H]1CC[C@@H]2[NH2+]CC[C@H]12 584601407 346720948 /nfs/dbraw/zinc/72/09/48/346720948.db2.gz QNTFOEUUBKURAU-VQVTYTSYSA-N 1 3 126.203 0.086 10 0 ACAEHO CC[C@@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 584881939 346748925 /nfs/dbraw/zinc/74/89/25/346748925.db2.gz UFZNPAXTTMEQBP-JGVFFNPUSA-N 1 3 195.270 0.222 10 0 ACAEHO N[C@H]1C[C@H]2C[NH2+][C@@H](C1)C2 584881593 346748937 /nfs/dbraw/zinc/74/89/37/346748937.db2.gz XIQRLHSCQPTITP-DSYKOEDSSA-N 1 3 126.203 0.086 10 0 ACAEHO CC[C@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 584881940 346749025 /nfs/dbraw/zinc/74/90/25/346749025.db2.gz UFZNPAXTTMEQBP-SFYZADRCSA-N 1 3 195.270 0.222 10 0 ACAEHO CC[C@@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 584881938 346749067 /nfs/dbraw/zinc/74/90/67/346749067.db2.gz UFZNPAXTTMEQBP-HTQZYQBOSA-N 1 3 195.270 0.222 10 0 ACAEHO CC[C@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 584881941 346749189 /nfs/dbraw/zinc/74/91/89/346749189.db2.gz UFZNPAXTTMEQBP-YUMQZZPRSA-N 1 3 195.270 0.222 10 0 ACAEHO CC(C)[C@@H](CNC(N)=[NH2+])N1CCCC1 589260422 346770010 /nfs/dbraw/zinc/77/00/10/346770010.db2.gz ZQOPVWAUIBMRJH-SECBINFHSA-N 1 3 198.314 0.590 10 0 ACAEHO CC(C)[C@H](CNC(N)=[NH2+])N1CCCC1 589260424 346770331 /nfs/dbraw/zinc/77/03/31/346770331.db2.gz ZQOPVWAUIBMRJH-VIFPVBQESA-N 1 3 198.314 0.590 10 0 ACAEHO COC(=O)CC1(NCCC[NH3+])CC1 593316138 346838619 /nfs/dbraw/zinc/83/86/19/346838619.db2.gz MPDQBKXBJAHLQK-UHFFFAOYSA-N 1 3 186.255 0.021 10 0 ACAEHO C[NH+](C)[C@H]1CC=CC[C@@H]1N 606303282 346978814 /nfs/dbraw/zinc/97/88/14/346978814.db2.gz PGIPDCZJUWVWRX-YUMQZZPRSA-N 1 3 140.230 0.594 10 0 ACAEHO C[NH+](C)[C@H]1CC=CC[C@H]1N 606303280 346978823 /nfs/dbraw/zinc/97/88/23/346978823.db2.gz PGIPDCZJUWVWRX-SFYZADRCSA-N 1 3 140.230 0.594 10 0 ACAEHO C[NH+](C)[C@@H]1CC=CC[C@@H]1N 606303279 346978875 /nfs/dbraw/zinc/97/88/75/346978875.db2.gz PGIPDCZJUWVWRX-JGVFFNPUSA-N 1 3 140.230 0.594 10 0 ACAEHO CN[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O 616428235 347093993 /nfs/dbraw/zinc/09/39/93/347093993.db2.gz RNCYOGYQYPHHHJ-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO C[NH2+][C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 616428235 347093995 /nfs/dbraw/zinc/09/39/95/347093995.db2.gz RNCYOGYQYPHHHJ-GMTAPVOTSA-N 1 3 198.310 0.584 10 0 ACAEHO NCc1cnc(C2CC[NH2+]CC2)nc1 616569949 347098215 /nfs/dbraw/zinc/09/82/15/347098215.db2.gz PBKKSXUJWLWCNE-UHFFFAOYSA-N 1 3 192.266 0.402 10 0 ACAEHO CN1CCO[C@@H](CC[NH3+])CC1 616595584 347106929 /nfs/dbraw/zinc/10/69/29/347106929.db2.gz XACAXCLENOUKOS-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CCN1CCCOC[C@@H]1CC[NH3+] 616645176 347145372 /nfs/dbraw/zinc/14/53/72/347145372.db2.gz HPIVOLVDXUBUMH-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)N1CCCOC[C@@H]1CC[NH3+] 616646797 347147154 /nfs/dbraw/zinc/14/71/54/347147154.db2.gz WHDXDMVLJKKFAC-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)N1CCCO[C@H](C[NH3+])C1 616648825 347148982 /nfs/dbraw/zinc/14/89/82/347148982.db2.gz DLGKLGKEJSKKRY-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCN1CCCOC[C@H]1CC[NH3+] 616648940 347149173 /nfs/dbraw/zinc/14/91/73/347149173.db2.gz HPIVOLVDXUBUMH-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)N1CCCOC[C@H]1CC[NH3+] 616650034 347151038 /nfs/dbraw/zinc/15/10/38/347151038.db2.gz WHDXDMVLJKKFAC-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)N1CCCO[C@@H](C[NH3+])C1 616652130 347152479 /nfs/dbraw/zinc/15/24/79/347152479.db2.gz DLGKLGKEJSKKRY-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO CCN1CCOCC[C@@H]1CC[NH3+] 616655398 347155773 /nfs/dbraw/zinc/15/57/73/347155773.db2.gz DCFIYSUUPVUCBV-VIFPVBQESA-N 1 3 172.272 0.446 10 0 ACAEHO CCN1CCOCC[C@H]1CC[NH3+] 616656249 347156688 /nfs/dbraw/zinc/15/66/88/347156688.db2.gz DCFIYSUUPVUCBV-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CC(C)N1CCOCC[C@@H]1CC[NH3+] 616656467 347157838 /nfs/dbraw/zinc/15/78/38/347157838.db2.gz VTOUODUUITWSDZ-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)N1CCOC[C@H](C[NH3+])C1 616658012 347158786 /nfs/dbraw/zinc/15/87/86/347158786.db2.gz ALPIRZBXAVMUSH-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO CC(C)N1CCOCC[C@H]1CC[NH3+] 616657308 347158859 /nfs/dbraw/zinc/15/88/59/347158859.db2.gz VTOUODUUITWSDZ-SNVBAGLBSA-N 1 3 186.299 0.835 10 0 ACAEHO CC(C)(C)N1CCOC[C@@H](C[NH3+])C1 616658981 347159681 /nfs/dbraw/zinc/15/96/81/347159681.db2.gz ALPIRZBXAVMUSH-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO CC(C)N1CCOC[C@H](C[NH3+])C1 616662059 347162452 /nfs/dbraw/zinc/16/24/52/347162452.db2.gz ZUSXGGSUSYWUCD-SECBINFHSA-N 1 3 172.272 0.302 10 0 ACAEHO CC(C)N1CCOC[C@@H](C[NH3+])C1 616662266 347162516 /nfs/dbraw/zinc/16/25/16/347162516.db2.gz ZUSXGGSUSYWUCD-VIFPVBQESA-N 1 3 172.272 0.302 10 0 ACAEHO CN1CCO[C@H](CC[NH3+])CC1 616687383 347168806 /nfs/dbraw/zinc/16/88/06/347168806.db2.gz XACAXCLENOUKOS-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CCN1CCO[C@H](CC[NH3+])CC1 616687439 347169094 /nfs/dbraw/zinc/16/90/94/347169094.db2.gz YRVITJIJSGGSKS-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CN1CCN(CCC[NH3+])C(C)(C)C1 621776799 347233833 /nfs/dbraw/zinc/23/38/33/347233833.db2.gz WPVHAHAPXQXSGC-UHFFFAOYSA-N 1 3 185.315 0.361 10 0 ACAEHO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCNC1 622043751 347235593 /nfs/dbraw/zinc/23/55/93/347235593.db2.gz JZEAOODEQJKVSM-YUMQZZPRSA-N 1 3 190.237 0.983 10 0 ACAEHO FC1(F)C[C@H]1CC[NH2+][C@@H]1CCNC1 622043748 347235619 /nfs/dbraw/zinc/23/56/19/347235619.db2.gz JZEAOODEQJKVSM-HTQZYQBOSA-N 1 3 190.237 0.983 10 0 ACAEHO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCNC1 622043749 347235625 /nfs/dbraw/zinc/23/56/25/347235625.db2.gz JZEAOODEQJKVSM-JGVFFNPUSA-N 1 3 190.237 0.983 10 0 ACAEHO FC1(F)C[C@H]1CC[NH2+][C@H]1CCNC1 622043750 347235634 /nfs/dbraw/zinc/23/56/34/347235634.db2.gz JZEAOODEQJKVSM-SFYZADRCSA-N 1 3 190.237 0.983 10 0 ACAEHO CC1CC(C[NH2+][C@H]2CCNC2)C1 622044899 347237267 /nfs/dbraw/zinc/23/72/67/347237267.db2.gz WZLVKQSXHTVCLM-RTBKNWGFSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1CC(C[NH2+][C@@H]2CCNC2)C1 622044900 347237591 /nfs/dbraw/zinc/23/75/91/347237591.db2.gz WZLVKQSXHTVCLM-UDNWOFFPSA-N 1 3 168.284 0.984 10 0 ACAEHO C[N@@H+]1CC[C@H](NCCO)CC1(C)C 623341009 347255184 /nfs/dbraw/zinc/25/51/84/347255184.db2.gz JIUNGOVOGLHHGM-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@H+]1CC[C@H](NCCO)CC1(C)C 623341009 347255186 /nfs/dbraw/zinc/25/51/86/347255186.db2.gz JIUNGOVOGLHHGM-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@@H+]1CC[C@@H](NCCO)CC1(C)C 623341008 347255314 /nfs/dbraw/zinc/25/53/14/347255314.db2.gz JIUNGOVOGLHHGM-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[N@H+]1CC[C@@H](NCCO)CC1(C)C 623341008 347255319 /nfs/dbraw/zinc/25/53/19/347255319.db2.gz JIUNGOVOGLHHGM-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1NC1CCN(C)CC1 629404666 347342413 /nfs/dbraw/zinc/34/24/13/347342413.db2.gz BTWCDRMISJFGHO-GXSJLCMTSA-N 1 3 197.326 0.421 10 0 ACAEHO CC(C)C[NH2+][C@@H]1CCN[C@H]1C 629406290 347342808 /nfs/dbraw/zinc/34/28/08/347342808.db2.gz PJINXYLLAGVFHJ-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]CC1CC1 629405980 347343044 /nfs/dbraw/zinc/34/30/44/347343044.db2.gz GXQLOFVGOSMXLQ-IONNQARKSA-N 1 3 154.257 0.736 10 0 ACAEHO C/C=C\CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] 629535955 347345949 /nfs/dbraw/zinc/34/59/49/347345949.db2.gz GGZGTPVFTCQGCU-XSNSVMTNSA-N 1 3 198.310 0.904 10 0 ACAEHO C/C=C/CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] 629535950 347346129 /nfs/dbraw/zinc/34/61/29/347346129.db2.gz GGZGTPVFTCQGCU-PNRLHAQJSA-N 1 3 198.310 0.904 10 0 ACAEHO C/C=C\CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] 629535954 347346397 /nfs/dbraw/zinc/34/63/97/347346397.db2.gz GGZGTPVFTCQGCU-PXLFNHBNSA-N 1 3 198.310 0.904 10 0 ACAEHO C/C=C/CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] 629535942 347346525 /nfs/dbraw/zinc/34/65/25/347346525.db2.gz GGZGTPVFTCQGCU-BJPDOBEOSA-N 1 3 198.310 0.904 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCOC[C@@H]1C 629544865 347346846 /nfs/dbraw/zinc/34/68/46/347346846.db2.gz MTIRZEZDLFSXCA-XWLWVQCSSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C 629544864 347347079 /nfs/dbraw/zinc/34/70/79/347347079.db2.gz MTIRZEZDLFSXCA-VPOLOUISSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]1CN(C)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C 629547164 347347661 /nfs/dbraw/zinc/34/76/61/347347661.db2.gz HATCCUNVSICKOE-MMWGEVLESA-N 1 3 197.326 0.277 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CN(C)C[C@H]1C 629547168 347347746 /nfs/dbraw/zinc/34/77/46/347347746.db2.gz HATCCUNVSICKOE-YTWAJWBKSA-N 1 3 197.326 0.277 10 0 ACAEHO C[C@H](NC[C@@H]1CCCN1C)C1C[NH2+]C1 629547616 347347808 /nfs/dbraw/zinc/34/78/08/347347808.db2.gz CBVJKQMCAJAVIP-ONGXEEELSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@@H]1CCOC1 629547001 347347930 /nfs/dbraw/zinc/34/79/30/347347930.db2.gz DMIFXPRUCXRQEJ-LMLFDSFASA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CN(C)C[C@H]1C 629547159 347347951 /nfs/dbraw/zinc/34/79/51/347347951.db2.gz HATCCUNVSICKOE-LMLFDSFASA-N 1 3 197.326 0.277 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1CCOC1 629547002 347348153 /nfs/dbraw/zinc/34/81/53/347348153.db2.gz DMIFXPRUCXRQEJ-UKKRHICBSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H](NC[C@@H]1CCCN1C)C1C[NH2+]C1 629547610 347348196 /nfs/dbraw/zinc/34/81/96/347348196.db2.gz CBVJKQMCAJAVIP-KOLCDFICSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C)[C@H]1CCOC1 629547003 347348222 /nfs/dbraw/zinc/34/82/22/347348222.db2.gz DMIFXPRUCXRQEJ-VPOLOUISSA-N 1 3 198.310 0.751 10 0 ACAEHO CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1N 629550825 347349139 /nfs/dbraw/zinc/34/91/39/347349139.db2.gz PFOFFWXGKDTJKM-HBNTYKKESA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1N 629550824 347348625 /nfs/dbraw/zinc/34/86/25/347348625.db2.gz PFOFFWXGKDTJKM-GARJFASQSA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H]1CN[C@@H]1CCC[C@@H]1[NH3+] 629550824 347348627 /nfs/dbraw/zinc/34/86/27/347348627.db2.gz PFOFFWXGKDTJKM-GARJFASQSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])NC[C@@H]1CCCN1C 629550361 347348675 /nfs/dbraw/zinc/34/86/75/347348675.db2.gz MERFNVDFOVWEFP-VWYCJHECSA-N 1 3 199.342 0.796 10 0 ACAEHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNC2)C1 629555311 347349836 /nfs/dbraw/zinc/34/98/36/347349836.db2.gz UTZJQFNTAYRYPS-LPEHRKFASA-N 1 3 184.283 0.363 10 0 ACAEHO CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1N 629550820 347349088 /nfs/dbraw/zinc/34/90/88/347349088.db2.gz PFOFFWXGKDTJKM-AXFHLTTASA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H]1CN[C@H]1CCC[C@H]1[NH3+] 629550820 347349090 /nfs/dbraw/zinc/34/90/90/347349090.db2.gz PFOFFWXGKDTJKM-AXFHLTTASA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1N 629550823 347349114 /nfs/dbraw/zinc/34/91/14/347349114.db2.gz PFOFFWXGKDTJKM-DCAQKATOSA-N 1 3 197.326 0.550 10 0 ACAEHO CN1CCC[C@H]1CN[C@H]1CCC[C@@H]1[NH3+] 629550823 347349116 /nfs/dbraw/zinc/34/91/16/347349116.db2.gz PFOFFWXGKDTJKM-DCAQKATOSA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H]1CCCN1C 629550360 347349126 /nfs/dbraw/zinc/34/91/26/347349126.db2.gz MERFNVDFOVWEFP-MXWKQRLJSA-N 1 3 199.342 0.796 10 0 ACAEHO CN1CCC[C@H]1CN[C@@H]1CCC[C@H]1[NH3+] 629550825 347349142 /nfs/dbraw/zinc/34/91/42/347349142.db2.gz PFOFFWXGKDTJKM-HBNTYKKESA-N 1 3 197.326 0.550 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCN1C 629550359 347349176 /nfs/dbraw/zinc/34/91/76/347349176.db2.gz MERFNVDFOVWEFP-DCAQKATOSA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)NC[C@@H]1CCCN1C 629550358 347349186 /nfs/dbraw/zinc/34/91/86/347349186.db2.gz MERFNVDFOVWEFP-AXFHLTTASA-N 1 3 199.342 0.796 10 0 ACAEHO CO[C@H]1C[C@@H](C[NH2+]C2CCNCC2)C1 629553588 347349533 /nfs/dbraw/zinc/34/95/33/347349533.db2.gz AMTJXHCOLXRVOZ-JGZJWPJOSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNC2)C1 629555310 347349571 /nfs/dbraw/zinc/34/95/71/347349571.db2.gz UTZJQFNTAYRYPS-BBBLOLIVSA-N 1 3 184.283 0.363 10 0 ACAEHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C2CNC2)C1 629555029 347349595 /nfs/dbraw/zinc/34/95/95/347349595.db2.gz QDJVLTOCZXSHMN-ATZCPNFKSA-N 1 3 198.310 0.609 10 0 ACAEHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)C2CNC2)C1 629555031 347349671 /nfs/dbraw/zinc/34/96/71/347349671.db2.gz QDJVLTOCZXSHMN-KKZNHRDASA-N 1 3 198.310 0.609 10 0 ACAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H]1CCNC1 629554273 347349758 /nfs/dbraw/zinc/34/97/58/347349758.db2.gz HDZLDJADTBJKMI-ZYUZMQFOSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CCNC1)[C@H]1C[C@H]1C 629554271 347349803 /nfs/dbraw/zinc/34/98/03/347349803.db2.gz HDZLDJADTBJKMI-RGOKHQFPSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCNC1 629554270 347350099 /nfs/dbraw/zinc/35/00/99/347350099.db2.gz HDZLDJADTBJKMI-KYXWUPHJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1C[C@H]1C 629589063 347351540 /nfs/dbraw/zinc/35/15/40/347351540.db2.gz PQDBXPYJNVLBBB-UTINFBMNSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CCN[C@H]1C 629589062 347351708 /nfs/dbraw/zinc/35/17/08/347351708.db2.gz PQDBXPYJNVLBBB-AXTSPUMRSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C 629589065 347351849 /nfs/dbraw/zinc/35/18/49/347351849.db2.gz PQDBXPYJNVLBBB-XFWSIPNHSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]1C[C@H]1C[NH2+][C@@H]1CCN[C@H]1C 629589061 347352005 /nfs/dbraw/zinc/35/20/05/347352005.db2.gz PQDBXPYJNVLBBB-AATLWQCWSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccn(C)c1 629649674 347353953 /nfs/dbraw/zinc/35/39/53/347353953.db2.gz YXGOJBIFFDFODJ-RKDXNWHRSA-N 1 3 181.283 0.850 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]Cc1ccn(C)c1 629649673 347354078 /nfs/dbraw/zinc/35/40/78/347354078.db2.gz YXGOJBIFFDFODJ-IUCAKERBSA-N 1 3 181.283 0.850 10 0 ACAEHO CC1(C)OC[C@@H]2C[C@@]21NCCC[NH3+] 629651168 347354168 /nfs/dbraw/zinc/35/41/68/347354168.db2.gz KQAONRNIRICCBK-WCBMZHEXSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H]([NH2+]Cc1ccn(C)c1)[C@@H](C)N 629649671 347354245 /nfs/dbraw/zinc/35/42/45/347354245.db2.gz YXGOJBIFFDFODJ-BDAKNGLRSA-N 1 3 181.283 0.850 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]Cc1ccn(C)c1 629649672 347354278 /nfs/dbraw/zinc/35/42/78/347354278.db2.gz YXGOJBIFFDFODJ-DTWKUNHWSA-N 1 3 181.283 0.850 10 0 ACAEHO CC1(C)OC[C@H]2C[C@]21NCCC[NH3+] 629651166 347354289 /nfs/dbraw/zinc/35/42/89/347354289.db2.gz KQAONRNIRICCBK-SCZZXKLOSA-N 1 3 184.283 0.492 10 0 ACAEHO COC[C@@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629671825 347354920 /nfs/dbraw/zinc/35/49/20/347354920.db2.gz HZOPQPYHUUAEDM-LPEHRKFASA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@@H]1NCC[C@H]1[NH2+]CC[C@H]1CCOC1 629671736 347355014 /nfs/dbraw/zinc/35/50/14/347355014.db2.gz FWUJVFICVUFGHK-GARJFASQSA-N 1 3 198.310 0.753 10 0 ACAEHO COC[C@H](C)C[NH2+][C@@H]1CCN[C@H]1C 629671823 347355194 /nfs/dbraw/zinc/35/51/94/347355194.db2.gz HZOPQPYHUUAEDM-KXUCPTDWSA-N 1 3 186.299 0.609 10 0 ACAEHO [NH3+]CCCOCCNCC1(F)CC1 629679704 347355862 /nfs/dbraw/zinc/35/58/62/347355862.db2.gz MXSIUAOKJVACQX-UHFFFAOYSA-N 1 3 190.262 0.444 10 0 ACAEHO NC(=[NH2+])NC[C@H]1CCN1C1CCCC1 630387076 347361524 /nfs/dbraw/zinc/36/15/24/347361524.db2.gz GRTLBVRDJGESNP-SECBINFHSA-N 1 3 196.298 0.486 10 0 ACAEHO CO[C@@H]1CN(CC2CC2)[C@@](C)(C[NH3+])C1 630369264 347361556 /nfs/dbraw/zinc/36/15/56/347361556.db2.gz WGLFTOOVKREVOF-WDEREUQCSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CN(CC2CC2)[C@](C)(C[NH3+])C1 630369263 347361598 /nfs/dbraw/zinc/36/15/98/347361598.db2.gz WGLFTOOVKREVOF-QWRGUYRKSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@H]1CN(CC2CC2)[C@](C)(C[NH3+])C1 630369262 347361699 /nfs/dbraw/zinc/36/16/99/347361699.db2.gz WGLFTOOVKREVOF-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO NC(=[NH2+])NC[C@@H]1CCN1C1CCCC1 630387077 347361923 /nfs/dbraw/zinc/36/19/23/347361923.db2.gz GRTLBVRDJGESNP-VIFPVBQESA-N 1 3 196.298 0.486 10 0 ACAEHO CO[C@H]1CN(CC2CC2)[C@@](C)(C[NH3+])C1 630369261 347361946 /nfs/dbraw/zinc/36/19/46/347361946.db2.gz WGLFTOOVKREVOF-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CCO[C@@H]1C 631827697 347387983 /nfs/dbraw/zinc/38/79/83/347387983.db2.gz UUPUGGBUJTUCOY-VLEAKVRGSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1OCC[C@H]1CN1CC[C@H]([NH3+])[C@@H]1C 631827696 347388119 /nfs/dbraw/zinc/38/81/19/347388119.db2.gz UUPUGGBUJTUCOY-NAKRPEOUSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1CCO[C@@H]1C 631827698 347388205 /nfs/dbraw/zinc/38/82/05/347388205.db2.gz UUPUGGBUJTUCOY-ZDCRXTMVSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1OCC[C@@H]1CN1CC[C@H]([NH3+])[C@@H]1C 631827695 347388265 /nfs/dbraw/zinc/38/82/65/347388265.db2.gz UUPUGGBUJTUCOY-MMWGEVLESA-N 1 3 198.310 0.833 10 0 ACAEHO 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/nfs/dbraw/zinc/39/34/69/347393469.db2.gz APMQQMDGEYEZPV-GHMZBOCLSA-N 1 3 199.342 0.606 10 0 ACAEHO COCC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 631887727 347393536 /nfs/dbraw/zinc/39/35/36/347393536.db2.gz UFPHMPVMTRPQGN-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO COCC[N@H+]1CCC[C@H]2CNCC[C@@H]21 631887727 347393538 /nfs/dbraw/zinc/39/35/38/347393538.db2.gz UFPHMPVMTRPQGN-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO COCCN1CCC[C@H]2C[NH2+]CC[C@H]21 631887728 347393595 /nfs/dbraw/zinc/39/35/95/347393595.db2.gz UFPHMPVMTRPQGN-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO COCC[N@@H+]1CCC[C@H]2CNCC[C@H]21 631887728 347393596 /nfs/dbraw/zinc/39/35/96/347393596.db2.gz UFPHMPVMTRPQGN-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO COCC[N@H+]1CCC[C@H]2CNCC[C@H]21 631887728 347393598 /nfs/dbraw/zinc/39/35/98/347393598.db2.gz UFPHMPVMTRPQGN-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO COCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 631887725 347393615 /nfs/dbraw/zinc/39/36/15/347393615.db2.gz UFPHMPVMTRPQGN-MNOVXSKESA-N 1 3 198.310 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C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)C1CNC1 635005084 347436309 /nfs/dbraw/zinc/43/63/09/347436309.db2.gz LYWWPIXAQFALRW-HJGDQZAQSA-N 1 3 198.310 0.750 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)[C@@H](C)O1 635005079 347436409 /nfs/dbraw/zinc/43/64/09/347436409.db2.gz LYWWPIXAQFALRW-CDLYGTGVSA-N 1 3 198.310 0.750 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)[C@@H](C)O1 635005079 347436411 /nfs/dbraw/zinc/43/64/11/347436411.db2.gz LYWWPIXAQFALRW-CDLYGTGVSA-N 1 3 198.310 0.750 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1N[C@H](C)C1C[NH2+]C1 635005086 347436477 /nfs/dbraw/zinc/43/64/77/347436477.db2.gz LYWWPIXAQFALRW-REIXXSIJSA-N 1 3 198.310 0.750 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+][C@H](C)C1CNC1 635005086 347436478 /nfs/dbraw/zinc/43/64/78/347436478.db2.gz LYWWPIXAQFALRW-REIXXSIJSA-N 1 3 198.310 0.750 10 0 ACAEHO CCCC[NH2+]C[C@H](O)CNCC 3086424 351315710 /nfs/dbraw/zinc/31/57/10/351315710.db2.gz MSSMZJXGOIVDCT-SECBINFHSA-N 1 3 174.288 0.347 10 0 ACAEHO CCCCNC[C@H](O)C[NH2+]CC 3086424 351315711 /nfs/dbraw/zinc/31/57/11/351315711.db2.gz MSSMZJXGOIVDCT-SECBINFHSA-N 1 3 174.288 0.347 10 0 ACAEHO CCCC[NH2+]C[C@@H](O)CNCC 3086425 351315773 /nfs/dbraw/zinc/31/57/73/351315773.db2.gz MSSMZJXGOIVDCT-VIFPVBQESA-N 1 3 174.288 0.347 10 0 ACAEHO CCCCNC[C@@H](O)C[NH2+]CC 3086425 351315775 /nfs/dbraw/zinc/31/57/75/351315775.db2.gz MSSMZJXGOIVDCT-VIFPVBQESA-N 1 3 174.288 0.347 10 0 ACAEHO C[C@@H]1CC[C@H](C[NH3+])N1C 34343619 351438692 /nfs/dbraw/zinc/43/86/92/351438692.db2.gz LEFDNIXZWZEKJG-RNFRBKRXSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1CC[C@@H](C[NH3+])N1C 34343621 351439064 /nfs/dbraw/zinc/43/90/64/351439064.db2.gz LEFDNIXZWZEKJG-RQJHMYQMSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1CCC[C@](N)(C[NH3+])C1 35676997 351451716 /nfs/dbraw/zinc/45/17/16/351451716.db2.gz ZEVKBNRUVQBVSF-HTQZYQBOSA-N 1 3 142.246 0.853 10 0 ACAEHO C[C@@H]1CCC[C@@](N)(C[NH3+])C1 35676999 351452222 /nfs/dbraw/zinc/45/22/22/351452222.db2.gz ZEVKBNRUVQBVSF-SFYZADRCSA-N 1 3 142.246 0.853 10 0 ACAEHO CC(C)C[N@H+](C)[C@H]1COCC[C@@H]1N 36305409 351455569 /nfs/dbraw/zinc/45/55/69/351455569.db2.gz HSEAXEZFYKHHGB-UWVGGRQHSA-N 1 3 186.299 0.690 10 0 ACAEHO CC(C)C[N@@H+](C)[C@H]1COCC[C@@H]1N 36305409 351455573 /nfs/dbraw/zinc/45/55/73/351455573.db2.gz HSEAXEZFYKHHGB-UWVGGRQHSA-N 1 3 186.299 0.690 10 0 ACAEHO CC(C)C[N@H+](C)[C@@H]1COCC[C@@H]1N 36305407 351455887 /nfs/dbraw/zinc/45/58/87/351455887.db2.gz HSEAXEZFYKHHGB-VHSXEESVSA-N 1 3 186.299 0.690 10 0 ACAEHO CC(C)C[N@@H+](C)[C@@H]1COCC[C@@H]1N 36305407 351455890 /nfs/dbraw/zinc/45/58/90/351455890.db2.gz HSEAXEZFYKHHGB-VHSXEESVSA-N 1 3 186.299 0.690 10 0 ACAEHO c1cc(N2CC[C@H]3C[NH2+]C[C@H]32)ccn1 36268572 351455909 /nfs/dbraw/zinc/45/59/09/351455909.db2.gz RFSGHPGRPZHACQ-GXSJLCMTSA-N 1 3 189.262 0.880 10 0 ACAEHO O[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 38041427 351478056 /nfs/dbraw/zinc/47/80/56/351478056.db2.gz KMMMSQYUSFXKNQ-WDEREUQCSA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@@H]1CCC[C@H](NC2CC[NH2+]CC2)C1 38041427 351478061 /nfs/dbraw/zinc/47/80/61/351478061.db2.gz KMMMSQYUSFXKNQ-WDEREUQCSA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 38041429 351478319 /nfs/dbraw/zinc/47/83/19/351478319.db2.gz KMMMSQYUSFXKNQ-QWRGUYRKSA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@H]1CCC[C@H](NC2CC[NH2+]CC2)C1 38041429 351478323 /nfs/dbraw/zinc/47/83/23/351478323.db2.gz KMMMSQYUSFXKNQ-QWRGUYRKSA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 38041430 351478457 /nfs/dbraw/zinc/47/84/57/351478457.db2.gz KMMMSQYUSFXKNQ-MNOVXSKESA-N 1 3 198.310 0.632 10 0 ACAEHO O[C@H]1CCC[C@@H](NC2CC[NH2+]CC2)C1 38041430 351478459 /nfs/dbraw/zinc/47/84/59/351478459.db2.gz KMMMSQYUSFXKNQ-MNOVXSKESA-N 1 3 198.310 0.632 10 0 ACAEHO C[NH+](C)C(C)(C)CCN 39077802 351488881 /nfs/dbraw/zinc/48/88/81/351488881.db2.gz ROEWEIJJGJGZJM-UHFFFAOYSA-N 1 3 130.235 0.675 10 0 ACAEHO CN(C)C(C)(C)CC[NH3+] 39077802 351488885 /nfs/dbraw/zinc/48/88/85/351488885.db2.gz ROEWEIJJGJGZJM-UHFFFAOYSA-N 1 3 130.235 0.675 10 0 ACAEHO CC[C@@H](C)[C@H]([NH3+])CNC 40409063 351506771 /nfs/dbraw/zinc/50/67/71/351506771.db2.gz BVWYEZKLWPQVQX-RNFRBKRXSA-N 1 3 130.235 0.579 10 0 ACAEHO CC[C@@H](C)[C@@H]([NH3+])CNC 40409069 351506828 /nfs/dbraw/zinc/50/68/28/351506828.db2.gz BVWYEZKLWPQVQX-RQJHMYQMSA-N 1 3 130.235 0.579 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1C 40740155 351509744 /nfs/dbraw/zinc/50/97/44/351509744.db2.gz LTXJSFOJLSNNLC-RQJHMYQMSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1C 40740155 351509747 /nfs/dbraw/zinc/50/97/47/351509747.db2.gz LTXJSFOJLSNNLC-RQJHMYQMSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]([C@@H](C)[NH3+])N1CCCC1 41053708 351515994 /nfs/dbraw/zinc/51/59/94/351515994.db2.gz SRJIJFIZWNNBKA-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO C[C@@H]([C@@H](C)N)[N@H+](C)C1CC1 41053787 351516193 /nfs/dbraw/zinc/51/61/93/351516193.db2.gz KYFIGAYXKQUICH-RQJHMYQMSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H]([C@@H](C)N)[N@@H+](C)C1CC1 41053787 351516195 /nfs/dbraw/zinc/51/61/95/351516195.db2.gz KYFIGAYXKQUICH-RQJHMYQMSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@@H]([C@@H](C)[NH3+])N1CCCN(C)CC1 41053767 351516217 /nfs/dbraw/zinc/51/62/17/351516217.db2.gz WBFOVWGVDOCNEI-ZJUUUORDSA-N 1 3 185.315 0.360 10 0 ACAEHO C[C@@H]([C@@H](C)N)[NH+](C)C 41053751 351516336 /nfs/dbraw/zinc/51/63/36/351516336.db2.gz VCRFEZWLBSZISX-RITPCOANSA-N 1 3 116.208 0.284 10 0 ACAEHO OCCC[NH2+]CCCN1CCCC1 42213907 351519617 /nfs/dbraw/zinc/51/96/17/351519617.db2.gz RXQBNTYUQPLZPJ-UHFFFAOYSA-N 1 3 186.299 0.444 10 0 ACAEHO OCCCNCCC[NH+]1CCCC1 42213907 351519622 /nfs/dbraw/zinc/51/96/22/351519622.db2.gz RXQBNTYUQPLZPJ-UHFFFAOYSA-N 1 3 186.299 0.444 10 0 ACAEHO C[C@@H]([C@@H](C)N)[N@H+](C)C1CCN(C)CC1 42290320 351521198 /nfs/dbraw/zinc/52/11/98/351521198.db2.gz HHBDEDXWXLPGFV-ZJUUUORDSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H]([C@@H](C)N)[N@@H+](C)C1CCN(C)CC1 42290320 351521204 /nfs/dbraw/zinc/52/12/04/351521204.db2.gz HHBDEDXWXLPGFV-ZJUUUORDSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H]([C@H]1CCCO1)[N@@H+]1CCCNCC1 44390160 351538268 /nfs/dbraw/zinc/53/82/68/351538268.db2.gz HGLZKPLTDBKJEC-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]([C@H]1CCCO1)[N@H+]1CCCNCC1 44390160 351538276 /nfs/dbraw/zinc/53/82/76/351538276.db2.gz HGLZKPLTDBKJEC-WDEREUQCSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]([C@@H]1CCCO1)[N@@H+]1CCCNCC1 44390154 351538953 /nfs/dbraw/zinc/53/89/53/351538953.db2.gz HGLZKPLTDBKJEC-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]([C@@H]1CCCO1)[N@H+]1CCCNCC1 44390154 351538954 /nfs/dbraw/zinc/53/89/54/351538954.db2.gz HGLZKPLTDBKJEC-QWRGUYRKSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 51889589 351560720 /nfs/dbraw/zinc/56/07/20/351560720.db2.gz HQVUSXYLDAUWDE-NXEZZACHSA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@@H]1C[C@H]1[NH2+]C1CCNCC1 52275097 351565832 /nfs/dbraw/zinc/56/58/32/351565832.db2.gz MJPATPIGSVPUIN-VXNVDRBHSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[C@H]1NC1CC[NH2+]CC1 52275097 351565836 /nfs/dbraw/zinc/56/58/36/351565836.db2.gz MJPATPIGSVPUIN-VXNVDRBHSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+]C1CCNCC1 52275093 351566087 /nfs/dbraw/zinc/56/60/87/351566087.db2.gz MJPATPIGSVPUIN-APPZFPTMSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[C@@H]1NC1CC[NH2+]CC1 52275093 351566091 /nfs/dbraw/zinc/56/60/91/351566091.db2.gz MJPATPIGSVPUIN-APPZFPTMSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[C@@H]1N1CCC([NH3+])CC1 52288888 351566379 /nfs/dbraw/zinc/56/63/79/351566379.db2.gz QIQXRCKCLUSWKK-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@H]1N1CCC([NH3+])CC1 52288893 351566993 /nfs/dbraw/zinc/56/69/93/351566993.db2.gz QIQXRCKCLUSWKK-VXNVDRBHSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@H]1NCC(C)(C)[NH3+] 52294758 351568008 /nfs/dbraw/zinc/56/80/08/351568008.db2.gz AZVRFOVQJDMVKX-RNFRBKRXSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1CN(C2CCC([NH3+])CC2)CCO1 55144223 351577583 /nfs/dbraw/zinc/57/75/83/351577583.db2.gz AQOARTAQWQZUFA-KPPDAEKUSA-N 1 3 198.310 0.977 10 0 ACAEHO CC[C@@H](C)N1CCN(C2C[NH2+]C2)CC1 55066921 351577680 /nfs/dbraw/zinc/57/76/80/351577680.db2.gz CZIRPFKGSCMQGD-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CCCN1 62568204 351588738 /nfs/dbraw/zinc/58/87/38/351588738.db2.gz NQOPMALODVOUAT-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCCN1 62568204 351588741 /nfs/dbraw/zinc/58/87/41/351588741.db2.gz NQOPMALODVOUAT-MNOVXSKESA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H]1CN(CCN(C)C)[C@H](C)C[NH2+]1 62567238 351588808 /nfs/dbraw/zinc/58/88/08/351588808.db2.gz HSIWUPGZBYZUJP-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]1C1CCN(C)CC1 62568015 351588925 /nfs/dbraw/zinc/58/89/25/351588925.db2.gz IERMEHUJHGXXEN-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CNCC[N@H+]1C1CCN(C)CC1 62568015 351588927 /nfs/dbraw/zinc/58/89/27/351588927.db2.gz IERMEHUJHGXXEN-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1C[NH2+]CCN1C1CCN(C)CC1 62568015 351588930 /nfs/dbraw/zinc/58/89/30/351588930.db2.gz IERMEHUJHGXXEN-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]1CCN(CCN(C)C)CC[NH2+]1 62567257 351589119 /nfs/dbraw/zinc/58/91/19/351589119.db2.gz UYGDWRQGCLRWEQ-SNVBAGLBSA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CC1 66354642 351594204 /nfs/dbraw/zinc/59/42/04/351594204.db2.gz CAZWZOFUXCIGSR-VXNVDRBHSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1NC1CC1 66354642 351594209 /nfs/dbraw/zinc/59/42/09/351594209.db2.gz CAZWZOFUXCIGSR-VXNVDRBHSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CC1 66354640 351594491 /nfs/dbraw/zinc/59/44/91/351594491.db2.gz CAZWZOFUXCIGSR-APPZFPTMSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC1CC1 66354640 351594496 /nfs/dbraw/zinc/59/44/96/351594496.db2.gz CAZWZOFUXCIGSR-APPZFPTMSA-N 1 3 154.257 0.736 10 0 ACAEHO [NH3+]C1CCC(NC2COC2)CC1 71791890 351613875 /nfs/dbraw/zinc/61/38/75/351613875.db2.gz GYECBXBZPBBMDS-UHFFFAOYSA-N 1 3 170.256 0.245 10 0 ACAEHO C[C@@H]1CC[C@H]([NH3+])[C@@H]1CN 72266718 351618436 /nfs/dbraw/zinc/61/84/36/351618436.db2.gz DCIDJZAMMCGYCL-QYNIQEEDSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1CC[C@@H]([NH3+])[C@@H]1CN 72266720 351618757 /nfs/dbraw/zinc/61/87/57/351618757.db2.gz DCIDJZAMMCGYCL-FSDSQADBSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@H]1C[C@@H](C)N(CC[NH3+])C1 82839223 351642407 /nfs/dbraw/zinc/64/24/07/351642407.db2.gz LOKVPVIVVXVDKQ-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]([NH3+])CN1CCN2CCCC[C@@H]2C1 86929792 351657405 /nfs/dbraw/zinc/65/74/05/351657405.db2.gz GMFTXWQICFWXJQ-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]([NH3+])CN1CCN2CCCC[C@@H]2C1 86929790 351657592 /nfs/dbraw/zinc/65/75/92/351657592.db2.gz GMFTXWQICFWXJQ-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@H]1CN2CCCC[C@@H]2CN1CC[NH3+] 86930198 351657904 /nfs/dbraw/zinc/65/79/04/351657904.db2.gz FGKXOUPVAPHATA-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1CN2CCCC[C@@H]2CN1CC[NH3+] 86930197 351657974 /nfs/dbraw/zinc/65/79/74/351657974.db2.gz FGKXOUPVAPHATA-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO OCC[C@H](NC1CC1)[C@@H]1CCC[NH2+]C1 95078802 351666901 /nfs/dbraw/zinc/66/69/01/351666901.db2.gz YCKGHLZNCIPWRF-KOLCDFICSA-N 1 3 198.310 0.489 10 0 ACAEHO OCC[C@H]([NH2+]C1CC1)[C@@H]1CCCNC1 95078802 351666903 /nfs/dbraw/zinc/66/69/03/351666903.db2.gz YCKGHLZNCIPWRF-KOLCDFICSA-N 1 3 198.310 0.489 10 0 ACAEHO OCC[C@H](NC1CC1)[C@H]1CCC[NH2+]C1 95078801 351666963 /nfs/dbraw/zinc/66/69/63/351666963.db2.gz YCKGHLZNCIPWRF-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO OCC[C@H]([NH2+]C1CC1)[C@H]1CCCNC1 95078801 351666967 /nfs/dbraw/zinc/66/69/67/351666967.db2.gz YCKGHLZNCIPWRF-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO CC(C)C[N@@H+]1CCC2(CNC2)C1 95937440 351677646 /nfs/dbraw/zinc/67/76/46/351677646.db2.gz WBGNBCDKAQWCRV-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO CC(C)C[N@H+]1CCC2(CNC2)C1 95937440 351677649 /nfs/dbraw/zinc/67/76/49/351677649.db2.gz WBGNBCDKAQWCRV-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO CC(C)CN1CCC2(C[NH2+]C2)C1 95937440 351677652 /nfs/dbraw/zinc/67/76/52/351677652.db2.gz WBGNBCDKAQWCRV-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO OCCCC[NH2+][C@@H]1CCCNCC1 117780926 351725671 /nfs/dbraw/zinc/72/56/71/351725671.db2.gz YLNXGHQEXWEUEH-SNVBAGLBSA-N 1 3 186.299 0.491 10 0 ACAEHO OCCCCN[C@@H]1CCC[NH2+]CC1 117780926 351725675 /nfs/dbraw/zinc/72/56/75/351725675.db2.gz YLNXGHQEXWEUEH-SNVBAGLBSA-N 1 3 186.299 0.491 10 0 ACAEHO OCCCC[NH2+][C@H]1CCCNCC1 117780929 351726077 /nfs/dbraw/zinc/72/60/77/351726077.db2.gz YLNXGHQEXWEUEH-JTQLQIEISA-N 1 3 186.299 0.491 10 0 ACAEHO OCCCCN[C@H]1CCC[NH2+]CC1 117780929 351726081 /nfs/dbraw/zinc/72/60/81/351726081.db2.gz YLNXGHQEXWEUEH-JTQLQIEISA-N 1 3 186.299 0.491 10 0 ACAEHO C[C@@H]1CC[C@@H]([NH2+]CC2CNC2)C1 129489639 351735576 /nfs/dbraw/zinc/73/55/76/351735576.db2.gz DJEFTMJKZGHCQR-PSASIEDQSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]1CC[C@H]([NH2+]CC2CNC2)C1 129489174 351735624 /nfs/dbraw/zinc/73/56/24/351735624.db2.gz DJEFTMJKZGHCQR-SCZZXKLOSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]1CC[C@H]([NH3+])CN1 141178084 351745205 /nfs/dbraw/zinc/74/52/05/351745205.db2.gz CEPZJYNJDFUBDR-RITPCOANSA-N 1 3 114.192 0.086 10 0 ACAEHO C[C@@H]1CC[C@@H]([NH3+])CN1 141178449 351745234 /nfs/dbraw/zinc/74/52/34/351745234.db2.gz CEPZJYNJDFUBDR-PHDIDXHHSA-N 1 3 114.192 0.086 10 0 ACAEHO C[NH2+][C@H](C)C[C@@H]1CN(C)CCN1C 149526178 351749733 /nfs/dbraw/zinc/74/97/33/351749733.db2.gz FGPATOXYHJMLAN-NXEZZACHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+][C@@H](C)C[C@H]1CN(C)CCN1C 149526293 351749859 /nfs/dbraw/zinc/74/98/59/351749859.db2.gz FGPATOXYHJMLAN-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+][C@H](C)C[C@H]1CN(C)CCN1C 149526403 351750038 /nfs/dbraw/zinc/75/00/38/351750038.db2.gz FGPATOXYHJMLAN-ZJUUUORDSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+][C@@H](C)C[C@@H]1CN(C)CCN1C 149526050 351750053 /nfs/dbraw/zinc/75/00/53/351750053.db2.gz FGPATOXYHJMLAN-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO C[NH2+][C@@H](C)[C@@H]1CCCNC1 165943099 351766908 /nfs/dbraw/zinc/76/69/08/351766908.db2.gz SDKFKSOUUGNOHH-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO C[NH2+][C@H](C)[C@@H]1CCCNC1 165943225 351766931 /nfs/dbraw/zinc/76/69/31/351766931.db2.gz SDKFKSOUUGNOHH-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO [NH3+]C[C@H]1CCCN1C1CCC1 168817563 351769441 /nfs/dbraw/zinc/76/94/41/351769441.db2.gz XBOCUEKHIYGGRW-SECBINFHSA-N 1 3 154.257 0.962 10 0 ACAEHO CNC[C@@H]([NH3+])C1CCC1 220104260 351792029 /nfs/dbraw/zinc/79/20/29/351792029.db2.gz UQIOAIOWLLJLIS-SSDOTTSWSA-N 1 3 128.219 0.333 10 0 ACAEHO CNC[C@H]([NH3+])C1CCC1 220104189 351792038 /nfs/dbraw/zinc/79/20/38/351792038.db2.gz UQIOAIOWLLJLIS-ZETCQYMHSA-N 1 3 128.219 0.333 10 0 ACAEHO C[N@@H+](C1CC1)[C@@H]1CC[C@@](N)(CO)C1 225995521 351801759 /nfs/dbraw/zinc/80/17/59/351801759.db2.gz IYJIYJNSYIWWEZ-ZJUUUORDSA-N 1 3 184.283 0.323 10 0 ACAEHO CC[N@H+](C)[C@H]1CC[C@@](N)(CO)C1 225995443 351801436 /nfs/dbraw/zinc/80/14/36/351801436.db2.gz ACBKIQJPMYQVGP-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](C)[C@H]1CC[C@@](N)(CO)C1 225995443 351801441 /nfs/dbraw/zinc/80/14/41/351801441.db2.gz ACBKIQJPMYQVGP-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)[N@H+](C)[C@@H]1CC[C@@](N)(CO)C1 225994481 351801595 /nfs/dbraw/zinc/80/15/95/351801595.db2.gz AUOWMAXTJIKPCM-ZJUUUORDSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)[N@@H+](C)[C@@H]1CC[C@@](N)(CO)C1 225994481 351801598 /nfs/dbraw/zinc/80/15/98/351801598.db2.gz AUOWMAXTJIKPCM-ZJUUUORDSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)N(C)[C@@H]1CC[C@@]([NH3+])(CO)C1 225994481 351801600 /nfs/dbraw/zinc/80/16/00/351801600.db2.gz AUOWMAXTJIKPCM-ZJUUUORDSA-N 1 3 186.299 0.569 10 0 ACAEHO CC[N@H+](C)[C@@H]1CC[C@@](N)(CO)C1 225995430 351801649 /nfs/dbraw/zinc/80/16/49/351801649.db2.gz ACBKIQJPMYQVGP-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[N@@H+](C)[C@@H]1CC[C@@](N)(CO)C1 225995430 351801651 /nfs/dbraw/zinc/80/16/51/351801651.db2.gz ACBKIQJPMYQVGP-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC(C)[N@H+](C)[C@H]1CC[C@@](N)(CO)C1 225994488 351801733 /nfs/dbraw/zinc/80/17/33/351801733.db2.gz AUOWMAXTJIKPCM-UWVGGRQHSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)[N@@H+](C)[C@H]1CC[C@@](N)(CO)C1 225994488 351801735 /nfs/dbraw/zinc/80/17/35/351801735.db2.gz AUOWMAXTJIKPCM-UWVGGRQHSA-N 1 3 186.299 0.569 10 0 ACAEHO CC(C)N(C)[C@H]1CC[C@@]([NH3+])(CO)C1 225994488 351801736 /nfs/dbraw/zinc/80/17/36/351801736.db2.gz AUOWMAXTJIKPCM-UWVGGRQHSA-N 1 3 186.299 0.569 10 0 ACAEHO C[N@H+](C1CC1)[C@@H]1CC[C@@](N)(CO)C1 225995521 351801758 /nfs/dbraw/zinc/80/17/58/351801758.db2.gz IYJIYJNSYIWWEZ-ZJUUUORDSA-N 1 3 184.283 0.323 10 0 ACAEHO C[N@H+](C1CC1)[C@H]1CC[C@@](N)(CO)C1 225995534 351801774 /nfs/dbraw/zinc/80/17/74/351801774.db2.gz IYJIYJNSYIWWEZ-UWVGGRQHSA-N 1 3 184.283 0.323 10 0 ACAEHO C[N@@H+](C1CC1)[C@H]1CC[C@@](N)(CO)C1 225995534 351801776 /nfs/dbraw/zinc/80/17/76/351801776.db2.gz IYJIYJNSYIWWEZ-UWVGGRQHSA-N 1 3 184.283 0.323 10 0 ACAEHO CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N)C1 234950321 351815590 /nfs/dbraw/zinc/81/55/90/351815590.db2.gz XLDIFWBAGIUHED-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N)C1 234950321 351815592 /nfs/dbraw/zinc/81/55/92/351815592.db2.gz XLDIFWBAGIUHED-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO Nc1nc(C2CC[NH2+]CC2)c[nH]1 238615871 351823261 /nfs/dbraw/zinc/82/32/61/351823261.db2.gz LGVFUEOJVDZPHZ-UHFFFAOYSA-N 1 3 166.228 0.459 10 0 ACAEHO CCN1CC[C@H]2[NH2+]CC[C@H]2C1 250315726 351831829 /nfs/dbraw/zinc/83/18/29/351831829.db2.gz MLIXMKWYNKQHEI-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CCN1CC[C@@H]2[NH2+]CC[C@H]2C1 250315728 351831851 /nfs/dbraw/zinc/83/18/51/351831851.db2.gz MLIXMKWYNKQHEI-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1COCCN1CC[C@H]1CC[NH2+]C1 251661716 351835565 /nfs/dbraw/zinc/83/55/65/351835565.db2.gz GXHAWGDLQRGMNB-WDEREUQCSA-N 1 3 198.310 0.707 10 0 ACAEHO C[C@@H]1CN2CCCC[C@H]2CN1CC[NH3+] 251627683 351835610 /nfs/dbraw/zinc/83/56/10/351835610.db2.gz FGKXOUPVAPHATA-MNOVXSKESA-N 1 3 197.326 0.504 10 0 ACAEHO [NH3+]C[C@H]1CCCN1C[C@H]1CCCOC1 252686161 351841791 /nfs/dbraw/zinc/84/17/91/351841791.db2.gz JEWWKVWATGZBMC-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1C[C@H]1CCCOC1 252686162 351841844 /nfs/dbraw/zinc/84/18/44/351841844.db2.gz JEWWKVWATGZBMC-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO CC[n+]1ccc(CN)cc1 256028188 351848001 /nfs/dbraw/zinc/84/80/01/351848001.db2.gz XYYFKCDCWJIIDF-UHFFFAOYSA-N 1 3 137.206 0.453 10 0 ACAEHO C[C@H](CC[NH3+])N1CCC1 257823633 351851089 /nfs/dbraw/zinc/85/10/89/351851089.db2.gz FSGOGMRHVLBPMF-SSDOTTSWSA-N 1 3 128.219 0.429 10 0 ACAEHO C[C@@H](CC[NH3+])N1CCC1 257823635 351851376 /nfs/dbraw/zinc/85/13/76/351851376.db2.gz FSGOGMRHVLBPMF-ZETCQYMHSA-N 1 3 128.219 0.429 10 0 ACAEHO C[C@H]1CCN(C)[C@H]1C[NH3+] 257833139 351851788 /nfs/dbraw/zinc/85/17/88/351851788.db2.gz KVODZTBQMRDDAS-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H]1CCN(C)[C@H]1C[NH3+] 257833141 351851935 /nfs/dbraw/zinc/85/19/35/351851935.db2.gz KVODZTBQMRDDAS-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO CCCN1CC[C@H]([NH3+])[C@H]1C 257938928 351855634 /nfs/dbraw/zinc/85/56/34/351855634.db2.gz TWDMWOCACJHZNX-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO O[C@H]1CCC[N@@H+](C2CCNCC2)CC1 258132510 351859475 /nfs/dbraw/zinc/85/94/75/351859475.db2.gz QJZWBPZWDWFTTG-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@H]1CCC[N@H+](C2CCNCC2)CC1 258132510 351859480 /nfs/dbraw/zinc/85/94/80/351859480.db2.gz QJZWBPZWDWFTTG-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@H]1CCCN(C2CC[NH2+]CC2)CC1 258132510 351859483 /nfs/dbraw/zinc/85/94/83/351859483.db2.gz QJZWBPZWDWFTTG-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@@H]1CCC[N@@H+](C2CCNCC2)CC1 258132507 351859507 /nfs/dbraw/zinc/85/95/07/351859507.db2.gz QJZWBPZWDWFTTG-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@@H]1CCC[N@H+](C2CCNCC2)CC1 258132507 351859511 /nfs/dbraw/zinc/85/95/11/351859511.db2.gz QJZWBPZWDWFTTG-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@@H]1CCCN(C2CC[NH2+]CC2)CC1 258132507 351859513 /nfs/dbraw/zinc/85/95/13/351859513.db2.gz QJZWBPZWDWFTTG-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO NCC(C[NH3+])C1CCCC1 258153834 351859786 /nfs/dbraw/zinc/85/97/86/351859786.db2.gz HJSHUHHULUNURS-UHFFFAOYSA-N 1 3 142.246 0.710 10 0 ACAEHO NCC(C[NH3+])C1CCC1 258419586 351861672 /nfs/dbraw/zinc/86/16/72/351861672.db2.gz VYRJECSRUMCZAO-UHFFFAOYSA-N 1 3 128.219 0.320 10 0 ACAEHO C[C@H]([C@H]1CC[NH2+]C1)N1CCC1 258470566 351862296 /nfs/dbraw/zinc/86/22/96/351862296.db2.gz IFYQXIUFJHLBQR-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]([C@@H]1CC[NH2+]C1)N1CCC1 258470571 351862442 /nfs/dbraw/zinc/86/24/42/351862442.db2.gz IFYQXIUFJHLBQR-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]([C@H]1CC[NH2+]C1)N1CCC1 258470570 351862473 /nfs/dbraw/zinc/86/24/73/351862473.db2.gz IFYQXIUFJHLBQR-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@@H]([C@@H]1CC[NH2+]C1)N1CCC1 258470568 351862579 /nfs/dbraw/zinc/86/25/79/351862579.db2.gz IFYQXIUFJHLBQR-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CCN1CC[C@](C[NH3+])(OC)C1 258509121 351863005 /nfs/dbraw/zinc/86/30/05/351863005.db2.gz LDTCPFYSNIXDLI-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@@H+]1CC[C@](CN)(OC)C1 258509121 351863003 /nfs/dbraw/zinc/86/30/03/351863003.db2.gz LDTCPFYSNIXDLI-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@H+]1CC[C@](CN)(OC)C1 258509121 351863004 /nfs/dbraw/zinc/86/30/04/351863004.db2.gz LDTCPFYSNIXDLI-MRVPVSSYSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@@H+]1CC[C@@](CN)(OC)C1 258509127 351863140 /nfs/dbraw/zinc/86/31/40/351863140.db2.gz LDTCPFYSNIXDLI-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CC[N@H+]1CC[C@@](CN)(OC)C1 258509127 351863143 /nfs/dbraw/zinc/86/31/43/351863143.db2.gz LDTCPFYSNIXDLI-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CCN1CC[C@@](C[NH3+])(OC)C1 258509127 351863145 /nfs/dbraw/zinc/86/31/45/351863145.db2.gz LDTCPFYSNIXDLI-QMMMGPOBSA-N 1 3 158.245 0.056 10 0 ACAEHO CN1CC[C@H](N(C)C[C@@H]2CC[NH2+]C2)C1 258770777 351866195 /nfs/dbraw/zinc/86/61/95/351866195.db2.gz AUMNAAUGZOCXRY-MNOVXSKESA-N 1 3 197.326 0.232 10 0 ACAEHO CCN1CC[C@@H]([NH3+])C1(C)C 258750582 351866406 /nfs/dbraw/zinc/86/64/06/351866406.db2.gz KBPLOFWUUFJIGN-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO CCN1CC[C@H]([NH3+])C1(C)C 258750583 351866530 /nfs/dbraw/zinc/86/65/30/351866530.db2.gz KBPLOFWUUFJIGN-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO [NH3+]C1CC(CN2CCOCC2)C1 258718869 351866681 /nfs/dbraw/zinc/86/66/81/351866681.db2.gz LOIXKQIHEICTAF-UHFFFAOYSA-N 1 3 170.256 0.056 10 0 ACAEHO c1cc(NCC2C[NH2+]C2)ccn1 258847700 351867120 /nfs/dbraw/zinc/86/71/20/351867120.db2.gz HOBYCPRGMDGTNP-UHFFFAOYSA-N 1 3 163.224 0.713 10 0 ACAEHO CN1CC[C@@H](N(C)C[C@H]2CC[NH2+]C2)C1 258773703 351867175 /nfs/dbraw/zinc/86/71/75/351867175.db2.gz AUMNAAUGZOCXRY-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO CN1CC[C@H](N(C)C[C@H]2CC[NH2+]C2)C1 258773699 351867270 /nfs/dbraw/zinc/86/72/70/351867270.db2.gz AUMNAAUGZOCXRY-QWRGUYRKSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@@](N)(C[NH3+])C1CCCC1 258965851 351868137 /nfs/dbraw/zinc/86/81/37/351868137.db2.gz CNTKMCMPJDLPRX-MRVPVSSYSA-N 1 3 142.246 0.853 10 0 ACAEHO C[NH2+][C@H]1CCNC(C)(C)C1 258871057 351868163 /nfs/dbraw/zinc/86/81/63/351868163.db2.gz ZRLPKFIWHGOTIC-ZETCQYMHSA-N 1 3 142.246 0.736 10 0 ACAEHO CN[C@H]1CC[NH2+]C(C)(C)C1 258871057 351868164 /nfs/dbraw/zinc/86/81/64/351868164.db2.gz ZRLPKFIWHGOTIC-ZETCQYMHSA-N 1 3 142.246 0.736 10 0 ACAEHO C[C@](N)(C[NH3+])C1CCCC1 258965854 351868171 /nfs/dbraw/zinc/86/81/71/351868171.db2.gz CNTKMCMPJDLPRX-QMMMGPOBSA-N 1 3 142.246 0.853 10 0 ACAEHO C[NH2+][C@@H]1CCNC(C)(C)C1 258871054 351868243 /nfs/dbraw/zinc/86/82/43/351868243.db2.gz ZRLPKFIWHGOTIC-SSDOTTSWSA-N 1 3 142.246 0.736 10 0 ACAEHO CN[C@@H]1CC[NH2+]C(C)(C)C1 258871054 351868244 /nfs/dbraw/zinc/86/82/44/351868244.db2.gz ZRLPKFIWHGOTIC-SSDOTTSWSA-N 1 3 142.246 0.736 10 0 ACAEHO CN1CC[C@H](N(C)C[C@H]2CCC[NH2+]2)C1 258923090 351868319 /nfs/dbraw/zinc/86/83/19/351868319.db2.gz OQRBFXRCCXFKJK-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CC[C@H](N(C)C[C@@H]2CCC[NH2+]2)C1 258923092 351868382 /nfs/dbraw/zinc/86/83/82/351868382.db2.gz OQRBFXRCCXFKJK-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@](N)(C[NH3+])C1CCC1 259074843 351869112 /nfs/dbraw/zinc/86/91/12/351869112.db2.gz NRJWVSVRSGKKQS-ZETCQYMHSA-N 1 3 128.219 0.463 10 0 ACAEHO C[C@@](N)(C[NH3+])C1CCC1 259074839 351869141 /nfs/dbraw/zinc/86/91/41/351869141.db2.gz NRJWVSVRSGKKQS-SSDOTTSWSA-N 1 3 128.219 0.463 10 0 ACAEHO [NH3+]CCCN1CC[C@@H]2C[C@@H]21 259221115 351870770 /nfs/dbraw/zinc/87/07/70/351870770.db2.gz AWJFCUAXHUORQL-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO NCCC[N@@H+]1CC[C@@H]2C[C@@H]21 259221115 351870773 /nfs/dbraw/zinc/87/07/73/351870773.db2.gz AWJFCUAXHUORQL-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO NCCC[N@H+]1CC[C@@H]2C[C@@H]21 259221115 351870774 /nfs/dbraw/zinc/87/07/74/351870774.db2.gz AWJFCUAXHUORQL-SFYZADRCSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]CCCN1CC[C@H]2C[C@H]21 259221114 351870825 /nfs/dbraw/zinc/87/08/25/351870825.db2.gz AWJFCUAXHUORQL-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO NCCC[N@@H+]1CC[C@H]2C[C@H]21 259221114 351870827 /nfs/dbraw/zinc/87/08/27/351870827.db2.gz AWJFCUAXHUORQL-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO NCCC[N@H+]1CC[C@H]2C[C@H]21 259221114 351870831 /nfs/dbraw/zinc/87/08/31/351870831.db2.gz AWJFCUAXHUORQL-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO N[C@H](CC[NH3+])c1ccc2c(c1)CCO2 259210255 351871003 /nfs/dbraw/zinc/87/10/03/351871003.db2.gz GLAQKCJLBZJXHN-SNVBAGLBSA-N 1 3 192.262 0.970 10 0 ACAEHO CN(C)CCN1CC[C@H]([NH3+])C1(C)C 259216417 351871099 /nfs/dbraw/zinc/87/10/99/351871099.db2.gz CTFIQSBPQIOMPJ-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO N[C@@H](CC[NH3+])c1ccc2c(c1)CCO2 259210251 351871148 /nfs/dbraw/zinc/87/11/48/351871148.db2.gz GLAQKCJLBZJXHN-JTQLQIEISA-N 1 3 192.262 0.970 10 0 ACAEHO CN(C)CCN1CC[C@@H]([NH3+])C1(C)C 259216413 351871395 /nfs/dbraw/zinc/87/13/95/351871395.db2.gz CTFIQSBPQIOMPJ-SECBINFHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC[N@H+]1CC[C@@H](CN)[C@@H]1C 259556766 351876108 /nfs/dbraw/zinc/87/61/08/351876108.db2.gz XOMWEZQLJGDBGX-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)[C@@H](CN)[C@@H](C)[NH3+] 259558053 351876042 /nfs/dbraw/zinc/87/60/42/351876042.db2.gz UXDJARIJYYVFDT-RNFRBKRXSA-N 1 3 130.235 0.565 10 0 ACAEHO CC[N@@H+]1CC[C@H](CN)[C@H]1C 259554772 351876063 /nfs/dbraw/zinc/87/60/63/351876063.db2.gz XOMWEZQLJGDBGX-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@H](CN)[C@H]1C 259554772 351876067 /nfs/dbraw/zinc/87/60/67/351876067.db2.gz XOMWEZQLJGDBGX-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CN)[C@H]1C 259554776 351876094 /nfs/dbraw/zinc/87/60/94/351876094.db2.gz XOMWEZQLJGDBGX-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@@H](CN)[C@H]1C 259554776 351876097 /nfs/dbraw/zinc/87/60/97/351876097.db2.gz XOMWEZQLJGDBGX-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+]1CC[C@@H](CN)[C@@H]1C 259556766 351876105 /nfs/dbraw/zinc/87/61/05/351876105.db2.gz XOMWEZQLJGDBGX-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)[C@@H](CN)[C@H](C)[NH3+] 259558052 351876225 /nfs/dbraw/zinc/87/62/25/351876225.db2.gz UXDJARIJYYVFDT-NKWVEPMBSA-N 1 3 130.235 0.565 10 0 ACAEHO CC(C)[C@H](CN)[C@H](C)[NH3+] 259558049 351876286 /nfs/dbraw/zinc/87/62/86/351876286.db2.gz UXDJARIJYYVFDT-BQBZGAKWSA-N 1 3 130.235 0.565 10 0 ACAEHO CC[N@@H+]1CC[C@H](CN)[C@@H]1C 259554774 351876294 /nfs/dbraw/zinc/87/62/94/351876294.db2.gz XOMWEZQLJGDBGX-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@H+]1CC[C@H](CN)[C@@H]1C 259554774 351876297 /nfs/dbraw/zinc/87/62/97/351876297.db2.gz XOMWEZQLJGDBGX-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)[C@H](CN)[C@@H](C)[NH3+] 259558056 351876999 /nfs/dbraw/zinc/87/69/99/351876999.db2.gz UXDJARIJYYVFDT-RQJHMYQMSA-N 1 3 130.235 0.565 10 0 ACAEHO C1C[C@H](CN2CC[C@@H]3C[C@@H]32)C[NH2+]1 259650051 351877440 /nfs/dbraw/zinc/87/74/40/351877440.db2.gz DHPJIVVEOFUCDQ-AEJSXWLSSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H](CN2CC[C@H]3C[C@H]32)C[NH2+]1 259650057 351877616 /nfs/dbraw/zinc/87/76/16/351877616.db2.gz DHPJIVVEOFUCDQ-LPEHRKFASA-N 1 3 166.268 0.690 10 0 ACAEHO CC[NH+]1CCC(F)(CN)CC1 259882303 351881129 /nfs/dbraw/zinc/88/11/29/351881129.db2.gz YMXXUKOPWRAPKW-UHFFFAOYSA-N 1 3 160.236 0.769 10 0 ACAEHO CC(C)(N)C[N@@H+]1CC[C@H]2C[C@H]21 260260375 351884263 /nfs/dbraw/zinc/88/42/63/351884263.db2.gz XAHTYSWSCGMNFS-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)(N)C[N@H+]1CC[C@H]2C[C@H]21 260260375 351884266 /nfs/dbraw/zinc/88/42/66/351884266.db2.gz XAHTYSWSCGMNFS-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)(N)C[N@@H+]1CC[C@@H]2C[C@@H]21 260260377 351884369 /nfs/dbraw/zinc/88/43/69/351884369.db2.gz XAHTYSWSCGMNFS-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)(N)C[N@H+]1CC[C@@H]2C[C@@H]21 260260377 351884371 /nfs/dbraw/zinc/88/43/71/351884371.db2.gz XAHTYSWSCGMNFS-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[N@H+]1C[C@@H]2CC[C@H](C1)[C@@H]2N 261507975 351891867 /nfs/dbraw/zinc/89/18/67/351891867.db2.gz OMNZTTYSHLWCDQ-JIGDXULJSA-N 1 3 140.230 0.285 10 0 ACAEHO C[N@@H+]1C[C@@H]2CC[C@H](C1)[C@@H]2N 261507975 351891864 /nfs/dbraw/zinc/89/18/64/351891864.db2.gz OMNZTTYSHLWCDQ-JIGDXULJSA-N 1 3 140.230 0.285 10 0 ACAEHO CN1C[C@@H]2CC[C@H](C1)[C@@H]2[NH3+] 261507975 351891870 /nfs/dbraw/zinc/89/18/70/351891870.db2.gz OMNZTTYSHLWCDQ-JIGDXULJSA-N 1 3 140.230 0.285 10 0 ACAEHO CC(C)CN1C[C@H](C)[C@H]([NH3+])C1 300049212 351895213 /nfs/dbraw/zinc/89/52/13/351895213.db2.gz QKJAQYWUAJHLAC-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]CC1CC1 306203935 351906569 /nfs/dbraw/zinc/90/65/69/351906569.db2.gz PWRWWYZZDKNKLX-PSASIEDQSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1CC1 306204415 351906580 /nfs/dbraw/zinc/90/65/80/351906580.db2.gz PWRWWYZZDKNKLX-SCZZXKLOSA-N 1 3 168.284 0.984 10 0 ACAEHO CC1(C)COC[C@H]1NC1CC[NH2+]CC1 306221362 351909162 /nfs/dbraw/zinc/90/91/62/351909162.db2.gz JPIKAOHIXXSEDU-SNVBAGLBSA-N 1 3 198.310 0.753 10 0 ACAEHO CC1(C)COC[C@H]1[NH2+]C1CCNCC1 306221362 351909164 /nfs/dbraw/zinc/90/91/64/351909164.db2.gz JPIKAOHIXXSEDU-SNVBAGLBSA-N 1 3 198.310 0.753 10 0 ACAEHO CC1(C)COC[C@@H]1NC1CC[NH2+]CC1 306221361 351909195 /nfs/dbraw/zinc/90/91/95/351909195.db2.gz JPIKAOHIXXSEDU-JTQLQIEISA-N 1 3 198.310 0.753 10 0 ACAEHO CC1(C)COC[C@@H]1[NH2+]C1CCNCC1 306221361 351909197 /nfs/dbraw/zinc/90/91/97/351909197.db2.gz JPIKAOHIXXSEDU-JTQLQIEISA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1NC1CC(O)C1 306294150 351917923 /nfs/dbraw/zinc/91/79/23/351917923.db2.gz BERFKVFOLVJVAI-SEZDTBSWSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]C1CC(O)C1 306294150 351917925 /nfs/dbraw/zinc/91/79/25/351917925.db2.gz BERFKVFOLVJVAI-SEZDTBSWSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@H]1NC1CC(O)C1 306294148 351917970 /nfs/dbraw/zinc/91/79/70/351917970.db2.gz BERFKVFOLVJVAI-AUXWQGHOSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H]1CNCC[C@H]1[NH2+]C1CC(O)C1 306294148 351917971 /nfs/dbraw/zinc/91/79/71/351917971.db2.gz BERFKVFOLVJVAI-AUXWQGHOSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@@H]1NC1CC(O)C1 306294151 351918042 /nfs/dbraw/zinc/91/80/42/351918042.db2.gz BERFKVFOLVJVAI-WOOKNIGNSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@@H]1CNCC[C@@H]1[NH2+]C1CC(O)C1 306294151 351918043 /nfs/dbraw/zinc/91/80/43/351918043.db2.gz BERFKVFOLVJVAI-WOOKNIGNSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1NC1CC(O)C1 306294149 351918101 /nfs/dbraw/zinc/91/81/01/351918101.db2.gz BERFKVFOLVJVAI-NFTFJBJSSA-N 1 3 184.283 0.097 10 0 ACAEHO C[C@H]1CNCC[C@@H]1[NH2+]C1CC(O)C1 306294149 351918102 /nfs/dbraw/zinc/91/81/02/351918102.db2.gz BERFKVFOLVJVAI-NFTFJBJSSA-N 1 3 184.283 0.097 10 0 ACAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCCC1 306424701 351928104 /nfs/dbraw/zinc/92/81/04/351928104.db2.gz BYILUDGYRZWCJS-WCBMZHEXSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@@H]1CNC[C@H]1C[NH2+]C1CCCC1 306424701 351928108 /nfs/dbraw/zinc/92/81/08/351928108.db2.gz BYILUDGYRZWCJS-WCBMZHEXSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCCC1 306424702 351928136 /nfs/dbraw/zinc/92/81/36/351928136.db2.gz BYILUDGYRZWCJS-WPRPVWTQSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@H]1CNC[C@H]1C[NH2+]C1CCCC1 306424702 351928140 /nfs/dbraw/zinc/92/81/40/351928140.db2.gz BYILUDGYRZWCJS-WPRPVWTQSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCCC1 306424700 351928207 /nfs/dbraw/zinc/92/82/07/351928207.db2.gz BYILUDGYRZWCJS-SCZZXKLOSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@H]1CNC[C@@H]1C[NH2+]C1CCCC1 306424700 351928209 /nfs/dbraw/zinc/92/82/09/351928209.db2.gz BYILUDGYRZWCJS-SCZZXKLOSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCCC1 306424699 351928231 /nfs/dbraw/zinc/92/82/31/351928231.db2.gz BYILUDGYRZWCJS-PSASIEDQSA-N 1 3 184.283 0.099 10 0 ACAEHO O[C@@H]1CNC[C@@H]1C[NH2+]C1CCCC1 306424699 351928235 /nfs/dbraw/zinc/92/82/35/351928235.db2.gz BYILUDGYRZWCJS-PSASIEDQSA-N 1 3 184.283 0.099 10 0 ACAEHO C[N@@H+]1CC[C@H](CN2CC[C@H](O)C2)C1 306436597 351929586 /nfs/dbraw/zinc/92/95/86/351929586.db2.gz GPCRSKBTLKRIGY-UWVGGRQHSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@H+]1CC[C@H](CN2CC[C@H](O)C2)C1 306436597 351929588 /nfs/dbraw/zinc/92/95/88/351929588.db2.gz GPCRSKBTLKRIGY-UWVGGRQHSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@@H+]1CC[C@H](CN2CC[C@@H](O)C2)C1 306436598 351929608 /nfs/dbraw/zinc/92/96/08/351929608.db2.gz GPCRSKBTLKRIGY-VHSXEESVSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@H+]1CC[C@H](CN2CC[C@@H](O)C2)C1 306436598 351929610 /nfs/dbraw/zinc/92/96/10/351929610.db2.gz GPCRSKBTLKRIGY-VHSXEESVSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@H+]1CC[C@@H](CN2CC[C@H](O)C2)C1 306436601 351929803 /nfs/dbraw/zinc/92/98/03/351929803.db2.gz GPCRSKBTLKRIGY-ZJUUUORDSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@@H+]1CC[C@@H](CN2CC[C@@H](O)C2)C1 306436595 351929751 /nfs/dbraw/zinc/92/97/51/351929751.db2.gz GPCRSKBTLKRIGY-NXEZZACHSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@H+]1CC[C@@H](CN2CC[C@@H](O)C2)C1 306436595 351929752 /nfs/dbraw/zinc/92/97/52/351929752.db2.gz GPCRSKBTLKRIGY-NXEZZACHSA-N 1 3 184.283 0.005 10 0 ACAEHO C[N@@H+]1CC[C@@H](CN2CC[C@H](O)C2)C1 306436601 351929801 /nfs/dbraw/zinc/92/98/01/351929801.db2.gz GPCRSKBTLKRIGY-ZJUUUORDSA-N 1 3 184.283 0.005 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)N 306755950 351962673 /nfs/dbraw/zinc/96/26/73/351962673.db2.gz PPKVAHDIQDIUOA-HTQZYQBOSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@H+]1CC(C)(C)N 306755950 351962678 /nfs/dbraw/zinc/96/26/78/351962678.db2.gz PPKVAHDIQDIUOA-HTQZYQBOSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@@H+]1CC(C)(C)N 306755952 351962768 /nfs/dbraw/zinc/96/27/68/351962768.db2.gz PPKVAHDIQDIUOA-SFYZADRCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@H+]1CC(C)(C)N 306755952 351962771 /nfs/dbraw/zinc/96/27/71/351962771.db2.gz PPKVAHDIQDIUOA-SFYZADRCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@@H+]1CC(C)(C)N 306755951 351962802 /nfs/dbraw/zinc/96/28/02/351962802.db2.gz PPKVAHDIQDIUOA-JGVFFNPUSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@@H](O)C[N@H+]1CC(C)(C)N 306755951 351962805 /nfs/dbraw/zinc/96/28/05/351962805.db2.gz PPKVAHDIQDIUOA-JGVFFNPUSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@H](O)C[N@@H+]1CC(C)(C)N 306755953 351963078 /nfs/dbraw/zinc/96/30/78/351963078.db2.gz PPKVAHDIQDIUOA-YUMQZZPRSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1C[C@H](O)C[N@H+]1CC(C)(C)N 306755953 351963081 /nfs/dbraw/zinc/96/30/81/351963081.db2.gz PPKVAHDIQDIUOA-YUMQZZPRSA-N 1 3 172.272 0.179 10 0 ACAEHO C1CC(N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306806644 351966559 /nfs/dbraw/zinc/96/65/59/351966559.db2.gz KKHVVEIYDQCQGK-SCZZXKLOSA-N 1 3 166.268 0.833 10 0 ACAEHO C[C@H]1CSC[C@]1(CN)[NH+]1CCC1 306883572 351971683 /nfs/dbraw/zinc/97/16/83/351971683.db2.gz PBWFFYXHHPHORI-IUCAKERBSA-N 1 3 186.324 0.773 10 0 ACAEHO C[C@H]1CSC[C@@]1(CN)[NH+]1CCC1 306883570 351971785 /nfs/dbraw/zinc/97/17/85/351971785.db2.gz PBWFFYXHHPHORI-DTWKUNHWSA-N 1 3 186.324 0.773 10 0 ACAEHO C[C@@H]1CSC[C@]1(CN)[NH+]1CCC1 306883567 351971920 /nfs/dbraw/zinc/97/19/20/351971920.db2.gz PBWFFYXHHPHORI-BDAKNGLRSA-N 1 3 186.324 0.773 10 0 ACAEHO C[C@@H]1CSC[C@@]1(CN)[NH+]1CCC1 306883574 351971963 /nfs/dbraw/zinc/97/19/63/351971963.db2.gz PBWFFYXHHPHORI-RKDXNWHRSA-N 1 3 186.324 0.773 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@H]2CN1C1CSC1 307213219 351995055 /nfs/dbraw/zinc/99/50/55/351995055.db2.gz QBQXILGDECAXNQ-KHQFGBGNSA-N 1 3 198.335 0.642 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C1CSC1 307213221 351995153 /nfs/dbraw/zinc/99/51/53/351995153.db2.gz QBQXILGDECAXNQ-NQMVMOMDSA-N 1 3 198.335 0.642 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1C1CSC1 307213220 351995442 /nfs/dbraw/zinc/99/54/42/351995442.db2.gz QBQXILGDECAXNQ-MRTMQBJTSA-N 1 3 198.335 0.642 10 0 ACAEHO C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CN1C1CSC1 307213222 351995673 /nfs/dbraw/zinc/99/56/73/351995673.db2.gz QBQXILGDECAXNQ-WEDXCCLWSA-N 1 3 198.335 0.642 10 0 ACAEHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCCCC1 307219052 351996718 /nfs/dbraw/zinc/99/67/18/351996718.db2.gz NRNFYHFOMLXPJJ-GXSJLCMTSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@@H]1CNC[C@H]1C[NH2+]C1CCCCC1 307219052 351996721 /nfs/dbraw/zinc/99/67/21/351996721.db2.gz NRNFYHFOMLXPJJ-GXSJLCMTSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCCCC1 307219055 351996743 /nfs/dbraw/zinc/99/67/43/351996743.db2.gz NRNFYHFOMLXPJJ-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@H]1CNC[C@H]1C[NH2+]C1CCCCC1 307219055 351996745 /nfs/dbraw/zinc/99/67/45/351996745.db2.gz NRNFYHFOMLXPJJ-ONGXEEELSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCCCC1 307219053 351996760 /nfs/dbraw/zinc/99/67/60/351996760.db2.gz NRNFYHFOMLXPJJ-KOLCDFICSA-N 1 3 198.310 0.489 10 0 ACAEHO O[C@H]1CNC[C@@H]1C[NH2+]C1CCCCC1 307219053 351996763 /nfs/dbraw/zinc/99/67/63/351996763.db2.gz NRNFYHFOMLXPJJ-KOLCDFICSA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC[NH2+]CC2)[C@@H](C)O1 307244366 351997598 /nfs/dbraw/zinc/99/75/98/351997598.db2.gz LCHIGGOZBQGTSO-FXPVBKGRSA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)[C@@H](C)O1 307244366 351997601 /nfs/dbraw/zinc/99/76/01/351997601.db2.gz LCHIGGOZBQGTSO-FXPVBKGRSA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1NC1CC[NH2+]CC1 307244369 351997609 /nfs/dbraw/zinc/99/76/09/351997609.db2.gz LCHIGGOZBQGTSO-YWVKMMECSA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C1CCNCC1 307244369 351997613 /nfs/dbraw/zinc/99/76/13/351997613.db2.gz LCHIGGOZBQGTSO-YWVKMMECSA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@H]1NC1CC[NH2+]CC1 307244368 351997632 /nfs/dbraw/zinc/99/76/32/351997632.db2.gz LCHIGGOZBQGTSO-WCABBAIRSA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@H]1[NH2+]C1CCNCC1 307244368 351997634 /nfs/dbraw/zinc/99/76/34/351997634.db2.gz LCHIGGOZBQGTSO-WCABBAIRSA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC[NH2+]CC2)[C@@H](C)O1 307244367 351997907 /nfs/dbraw/zinc/99/79/07/351997907.db2.gz LCHIGGOZBQGTSO-KKZNHRDASA-N 1 3 198.310 0.894 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CCNCC2)[C@@H](C)O1 307244367 351997908 /nfs/dbraw/zinc/99/79/08/351997908.db2.gz LCHIGGOZBQGTSO-KKZNHRDASA-N 1 3 198.310 0.894 10 0 ACAEHO CC1(C)CN(CCC[NH3+])CCCO1 307419967 352012548 /nfs/dbraw/zinc/01/25/48/352012548.db2.gz YLCSAYLWJRRTGB-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@@H]1CCN(CC[NH3+])[C@@H]1C 307517248 352018692 /nfs/dbraw/zinc/01/86/92/352018692.db2.gz ISNDLTAVWAJSGJ-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1[C@H]([NH3+])CCN1CC1CC1 307596484 352024328 /nfs/dbraw/zinc/02/43/28/352024328.db2.gz MMMVJGOCDMNWFN-VXNVDRBHSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@@H]([NH3+])CCN1CC1CC1 307596481 352024369 /nfs/dbraw/zinc/02/43/69/352024369.db2.gz MMMVJGOCDMNWFN-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO C1C[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)CN1 307641375 352028061 /nfs/dbraw/zinc/02/80/61/352028061.db2.gz IOGNVVBRUNVANA-JXUBOQSCSA-N 1 3 166.268 0.736 10 0 ACAEHO C1C[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)CN1 307641376 352028329 /nfs/dbraw/zinc/02/83/29/352028329.db2.gz IOGNVVBRUNVANA-UTINFBMNSA-N 1 3 166.268 0.736 10 0 ACAEHO C[C@@H]1C[C@H](N(C)CCO)CC[N@@H+]1C 334261961 352060450 /nfs/dbraw/zinc/06/04/50/352060450.db2.gz YQGFMFXLKFNLRN-NXEZZACHSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@@H]1C[C@H](N(C)CCO)CC[N@H+]1C 334261961 352060452 /nfs/dbraw/zinc/06/04/52/352060452.db2.gz YQGFMFXLKFNLRN-NXEZZACHSA-N 1 3 186.299 0.393 10 0 ACAEHO C[C@@H]1C[C@@H](NC2C[NH2+]C2)CN1C1CC1 335525307 352101968 /nfs/dbraw/zinc/10/19/68/352101968.db2.gz HWVQPVPRCXEIAH-RKDXNWHRSA-N 1 3 195.310 0.173 10 0 ACAEHO C[C@@H]1C[C@H](NC2C[NH2+]C2)CN1C1CC1 335525304 352102247 /nfs/dbraw/zinc/10/22/47/352102247.db2.gz HWVQPVPRCXEIAH-BDAKNGLRSA-N 1 3 195.310 0.173 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CCNCC2)CO1 335662081 352108399 /nfs/dbraw/zinc/10/83/99/352108399.db2.gz FCDFELYNTHZMGW-SCZZXKLOSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)CO1 335662080 352108573 /nfs/dbraw/zinc/10/85/73/352108573.db2.gz FCDFELYNTHZMGW-PSASIEDQSA-N 1 3 184.283 0.505 10 0 ACAEHO CC[C@H]1C[N@H+](CCCN)CC[C@H]1O 409434168 352161332 /nfs/dbraw/zinc/16/13/32/352161332.db2.gz OIXQQATXWYXKLD-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@H]1C[N@@H+](CCCN)CC[C@H]1O 409434168 352161335 /nfs/dbraw/zinc/16/13/35/352161335.db2.gz OIXQQATXWYXKLD-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@H]1C[N@H+](CCCN)CC[C@@H]1O 409434167 352161380 /nfs/dbraw/zinc/16/13/80/352161380.db2.gz OIXQQATXWYXKLD-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@H]1C[N@@H+](CCCN)CC[C@@H]1O 409434167 352161382 /nfs/dbraw/zinc/16/13/82/352161382.db2.gz OIXQQATXWYXKLD-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H]1C[N@H+](CCCN)CC[C@@H]1O 409434169 352161546 /nfs/dbraw/zinc/16/15/46/352161546.db2.gz OIXQQATXWYXKLD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H]1C[N@@H+](CCCN)CC[C@@H]1O 409434169 352161550 /nfs/dbraw/zinc/16/15/50/352161550.db2.gz OIXQQATXWYXKLD-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H]1C[N@H+](CCCN)CC[C@H]1O 409434166 352161604 /nfs/dbraw/zinc/16/16/04/352161604.db2.gz OIXQQATXWYXKLD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[C@@H]1C[N@@H+](CCCN)CC[C@H]1O 409434166 352161606 /nfs/dbraw/zinc/16/16/06/352161606.db2.gz OIXQQATXWYXKLD-NXEZZACHSA-N 1 3 186.299 0.428 10 0 ACAEHO N[C@H](CCC[NH3+])c1cc(O)cc(O)c1 575438960 352203416 /nfs/dbraw/zinc/20/34/16/352203416.db2.gz PIAVIWAEODZWOB-SNVBAGLBSA-N 1 3 196.250 0.837 10 0 ACAEHO N[C@@H](CCC[NH3+])c1cc(O)cc(O)c1 575440350 352204584 /nfs/dbraw/zinc/20/45/84/352204584.db2.gz PIAVIWAEODZWOB-JTQLQIEISA-N 1 3 196.250 0.837 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])c2ccc[nH]2)C1 575451094 352212463 /nfs/dbraw/zinc/21/24/63/352212463.db2.gz WEWQQSQSQUBQLF-WCBMZHEXSA-N 1 3 179.267 0.966 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])c2ccc[nH]2)C1 575451092 352212596 /nfs/dbraw/zinc/21/25/96/352212596.db2.gz WEWQQSQSQUBQLF-PSASIEDQSA-N 1 3 179.267 0.966 10 0 ACAEHO CN1CC[C@H]([C@H]([NH3+])c2ccc[nH]2)C1 575451095 352212718 /nfs/dbraw/zinc/21/27/18/352212718.db2.gz WEWQQSQSQUBQLF-WPRPVWTQSA-N 1 3 179.267 0.966 10 0 ACAEHO CN1CC[C@@H]([C@H]([NH3+])c2ccc[nH]2)C1 575451093 352212729 /nfs/dbraw/zinc/21/27/29/352212729.db2.gz WEWQQSQSQUBQLF-SCZZXKLOSA-N 1 3 179.267 0.966 10 0 ACAEHO [NH3+][C@@H]1CO[C@]2(C1)CN1CCC2CC1 575451469 352214052 /nfs/dbraw/zinc/21/40/52/352214052.db2.gz FFPHPTWNPJFWSB-VHSXEESVSA-N 1 3 182.267 0.198 10 0 ACAEHO [NH3+][C@@H]1CO[C@@]2(C1)CN1CCC2CC1 575451468 352214266 /nfs/dbraw/zinc/21/42/66/352214266.db2.gz FFPHPTWNPJFWSB-UWVGGRQHSA-N 1 3 182.267 0.198 10 0 ACAEHO [NH3+][C@H]1CO[C@]2(C1)CN1CCC2CC1 575451465 352214281 /nfs/dbraw/zinc/21/42/81/352214281.db2.gz FFPHPTWNPJFWSB-NXEZZACHSA-N 1 3 182.267 0.198 10 0 ACAEHO [NH3+][C@H]1CO[C@@]2(C1)CN1CCC2CC1 575451470 352214678 /nfs/dbraw/zinc/21/46/78/352214678.db2.gz FFPHPTWNPJFWSB-ZJUUUORDSA-N 1 3 182.267 0.198 10 0 ACAEHO NC(=[NH2+])[C@@H]1CCN([C@@H]2CCOC2)C1 575453252 352219632 /nfs/dbraw/zinc/21/96/32/352219632.db2.gz JSKDMFHOQABATN-HTQZYQBOSA-N 1 3 183.255 0.033 10 0 ACAEHO NC(=[NH2+])[C@H]1CCN([C@@H]2CCOC2)C1 575453253 352219661 /nfs/dbraw/zinc/21/96/61/352219661.db2.gz JSKDMFHOQABATN-JGVFFNPUSA-N 1 3 183.255 0.033 10 0 ACAEHO NC(=[NH2+])[C@H]1CCN([C@H]2CCOC2)C1 575453256 352219705 /nfs/dbraw/zinc/21/97/05/352219705.db2.gz JSKDMFHOQABATN-YUMQZZPRSA-N 1 3 183.255 0.033 10 0 ACAEHO NC(=[NH2+])[C@@H]1CCN([C@H]2CCOC2)C1 575453255 352219987 /nfs/dbraw/zinc/21/99/87/352219987.db2.gz JSKDMFHOQABATN-SFYZADRCSA-N 1 3 183.255 0.033 10 0 ACAEHO [NH3+][C@@H]1C=C[C@H](CN2CC[C@@H](F)C2)C1 575454055 352222971 /nfs/dbraw/zinc/22/29/71/352222971.db2.gz INAYGDGIWTUVCS-IVZWLZJFSA-N 1 3 184.258 0.934 10 0 ACAEHO [NH3+][C@@H]1C=C[C@@H](CN2CC[C@H](F)C2)C1 575454101 352223277 /nfs/dbraw/zinc/22/32/77/352223277.db2.gz INAYGDGIWTUVCS-KXUCPTDWSA-N 1 3 184.258 0.934 10 0 ACAEHO [NH3+][C@@H]1C=C[C@@H](CN2CC[C@@H](F)C2)C1 575454104 352223458 /nfs/dbraw/zinc/22/34/58/352223458.db2.gz INAYGDGIWTUVCS-OPRDCNLKSA-N 1 3 184.258 0.934 10 0 ACAEHO [NH3+][C@@H]1C=C[C@H](CN2CC[C@H](F)C2)C1 575454102 352223575 /nfs/dbraw/zinc/22/35/75/352223575.db2.gz INAYGDGIWTUVCS-LPEHRKFASA-N 1 3 184.258 0.934 10 0 ACAEHO CN1CC[C@H](C(=[NH2+])NC2CC2)C1 575454326 352224054 /nfs/dbraw/zinc/22/40/54/352224054.db2.gz UIKOJWYAHACVQO-ZETCQYMHSA-N 1 3 167.256 0.667 10 0 ACAEHO CN1CC[C@@H](C(=[NH2+])NC2CC2)C1 575454292 352224140 /nfs/dbraw/zinc/22/41/40/352224140.db2.gz UIKOJWYAHACVQO-SSDOTTSWSA-N 1 3 167.256 0.667 10 0 ACAEHO CN1CC[C@H]([C@H]([NH3+])C2=CCCO2)C1 575456213 352228845 /nfs/dbraw/zinc/22/88/45/352228845.db2.gz LZMPAAUABBTJGE-WPRPVWTQSA-N 1 3 182.267 0.570 10 0 ACAEHO CN1CC[C@@H]([C@@H]([NH3+])C2=CCCO2)C1 575456206 352228985 /nfs/dbraw/zinc/22/89/85/352228985.db2.gz LZMPAAUABBTJGE-PSASIEDQSA-N 1 3 182.267 0.570 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])C2=CCCO2)C1 575456210 352229157 /nfs/dbraw/zinc/22/91/57/352229157.db2.gz LZMPAAUABBTJGE-WCBMZHEXSA-N 1 3 182.267 0.570 10 0 ACAEHO NC(=[NH2+])[C@H]1CCN([C@H]2CCSC2)C1 575457804 352233952 /nfs/dbraw/zinc/23/39/52/352233952.db2.gz FHHNJFKBXSCMKX-YUMQZZPRSA-N 1 3 199.323 0.750 10 0 ACAEHO NC(=[NH2+])[C@@H]1CCN([C@@H]2CCSC2)C1 575457801 352234345 /nfs/dbraw/zinc/23/43/45/352234345.db2.gz FHHNJFKBXSCMKX-HTQZYQBOSA-N 1 3 199.323 0.750 10 0 ACAEHO NC(=[NH2+])[C@@H]1CCN([C@H]2CCSC2)C1 575457803 352234248 /nfs/dbraw/zinc/23/42/48/352234248.db2.gz FHHNJFKBXSCMKX-SFYZADRCSA-N 1 3 199.323 0.750 10 0 ACAEHO NC(=[NH2+])[C@H]1CCN([C@@H]2CCSC2)C1 575457802 352234287 /nfs/dbraw/zinc/23/42/87/352234287.db2.gz FHHNJFKBXSCMKX-JGVFFNPUSA-N 1 3 199.323 0.750 10 0 ACAEHO CN1CC[C@@H](C2=[NH+]CCCN2)C1 575458209 352235521 /nfs/dbraw/zinc/23/55/21/352235521.db2.gz FTNVJZGXIUENAN-MRVPVSSYSA-N 1 3 167.256 0.330 10 0 ACAEHO CN1CC[C@H](C2=[NH+]CCCN2)C1 575458210 352235542 /nfs/dbraw/zinc/23/55/42/352235542.db2.gz FTNVJZGXIUENAN-QMMMGPOBSA-N 1 3 167.256 0.330 10 0 ACAEHO CN(C)CC1(C(=[NH2+])NO)CC1 575461206 352246405 /nfs/dbraw/zinc/24/64/05/352246405.db2.gz MKHXTGXZLMKULX-UHFFFAOYSA-N 1 3 157.217 0.284 10 0 ACAEHO C[C@H]1[C@H](C)CN1C/C=C/C[NH3+] 575464059 352256703 /nfs/dbraw/zinc/25/67/03/352256703.db2.gz QQPMDZUZPFILBF-BKIAHZASSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H]1CN(C/C=C/C[NH3+])[C@@H]1C 575464062 352256804 /nfs/dbraw/zinc/25/68/04/352256804.db2.gz QQPMDZUZPFILBF-HUGTUPKYSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@H]1CN(C/C=C/C[NH3+])[C@@H]1C 575464060 352256811 /nfs/dbraw/zinc/25/68/11/352256811.db2.gz QQPMDZUZPFILBF-DXMIZCBPSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@H]1CN(C/C=C/C[NH3+])[C@H]1C 575464061 352256926 /nfs/dbraw/zinc/25/69/26/352256926.db2.gz QQPMDZUZPFILBF-FBFNWGNUSA-N 1 3 154.257 0.842 10 0 ACAEHO Cc1ccc(CN)cc1C(=[NH2+])NO 575464337 352258377 /nfs/dbraw/zinc/25/83/77/352258377.db2.gz VCAKRRHIRWQECJ-UHFFFAOYSA-N 1 3 179.223 0.758 10 0 ACAEHO C[C@H]1CN(CC2CC([NH3+])C2)CCO1 575465557 352263492 /nfs/dbraw/zinc/26/34/92/352263492.db2.gz PCFFNYXEUJMUOT-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN(CC2CC([NH3+])C2)CCO1 575465558 352263840 /nfs/dbraw/zinc/26/38/40/352263840.db2.gz PCFFNYXEUJMUOT-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1CC[N@@H+]1C[C@H]1CNCCOC1 575466600 352267216 /nfs/dbraw/zinc/26/72/16/352267216.db2.gz IPBNIBBHQAMVHP-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H]1CC[N@H+]1C[C@H]1CNCCOC1 575466600 352267217 /nfs/dbraw/zinc/26/72/17/352267217.db2.gz IPBNIBBHQAMVHP-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@@H]1CNCCOC1 575466601 352267263 /nfs/dbraw/zinc/26/72/63/352267263.db2.gz IPBNIBBHQAMVHP-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@@H]1CNCCOC1 575466601 352267265 /nfs/dbraw/zinc/26/72/65/352267265.db2.gz IPBNIBBHQAMVHP-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H]1CC[N@@H+]1C[C@@H]1CNCCOC1 575466599 352267447 /nfs/dbraw/zinc/26/74/47/352267447.db2.gz IPBNIBBHQAMVHP-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H]1CC[N@H+]1C[C@@H]1CNCCOC1 575466599 352267450 /nfs/dbraw/zinc/26/74/50/352267450.db2.gz IPBNIBBHQAMVHP-UWVGGRQHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@H]1CNCCOC1 575466598 352267548 /nfs/dbraw/zinc/26/75/48/352267548.db2.gz IPBNIBBHQAMVHP-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@H]1CNCCOC1 575466598 352267550 /nfs/dbraw/zinc/26/75/50/352267550.db2.gz IPBNIBBHQAMVHP-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C1=CCC([NH2+]CC2CNC2)C1 575469142 352277959 /nfs/dbraw/zinc/27/79/59/352277959.db2.gz VGUXNZLMQFGPET-UHFFFAOYSA-N 1 3 152.241 0.514 10 0 ACAEHO C1=CCC(NCC2C[NH2+]C2)C1 575469142 352277961 /nfs/dbraw/zinc/27/79/61/352277961.db2.gz VGUXNZLMQFGPET-UHFFFAOYSA-N 1 3 152.241 0.514 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@@H]2OCC[C@H]2N)C1 575469963 352280713 /nfs/dbraw/zinc/28/07/13/352280713.db2.gz UIKIHIZHDKLMBC-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@@H]2OCC[C@H]2N)C1 575469963 352280714 /nfs/dbraw/zinc/28/07/14/352280714.db2.gz UIKIHIZHDKLMBC-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN(C[C@@H]2OCC[C@H]2[NH3+])C1 575469963 352280716 /nfs/dbraw/zinc/28/07/16/352280716.db2.gz UIKIHIZHDKLMBC-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@@H]2OCC[C@@H]2N)C1 575469969 352280790 /nfs/dbraw/zinc/28/07/90/352280790.db2.gz UIKIHIZHDKLMBC-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@@H]2OCC[C@@H]2N)C1 575469969 352280791 /nfs/dbraw/zinc/28/07/91/352280791.db2.gz UIKIHIZHDKLMBC-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN(C[C@@H]2OCC[C@@H]2[NH3+])C1 575469969 352280794 /nfs/dbraw/zinc/28/07/94/352280794.db2.gz UIKIHIZHDKLMBC-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@H]2OCC[C@@H]2N)C1 575469965 352280949 /nfs/dbraw/zinc/28/09/49/352280949.db2.gz UIKIHIZHDKLMBC-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@H]2OCC[C@@H]2N)C1 575469965 352280953 /nfs/dbraw/zinc/28/09/53/352280953.db2.gz UIKIHIZHDKLMBC-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN(C[C@H]2OCC[C@@H]2[NH3+])C1 575469965 352280954 /nfs/dbraw/zinc/28/09/54/352280954.db2.gz UIKIHIZHDKLMBC-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@H]2OCC[C@H]2N)C1 575469967 352280983 /nfs/dbraw/zinc/28/09/83/352280983.db2.gz UIKIHIZHDKLMBC-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@H]2OCC[C@H]2N)C1 575469967 352280986 /nfs/dbraw/zinc/28/09/86/352280986.db2.gz UIKIHIZHDKLMBC-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN(C[C@H]2OCC[C@H]2[NH3+])C1 575469967 352280990 /nfs/dbraw/zinc/28/09/90/352280990.db2.gz UIKIHIZHDKLMBC-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C1=CC[NH+](C[C@H]2CNCCOC2)C1 575470642 352283993 /nfs/dbraw/zinc/28/39/93/352283993.db2.gz WTLWNUCAEMYOJO-SNVBAGLBSA-N 1 3 182.267 0.094 10 0 ACAEHO C1=CC[NH+](C[C@@H]2CNCCOC2)C1 575470641 352284129 /nfs/dbraw/zinc/28/41/29/352284129.db2.gz WTLWNUCAEMYOJO-JTQLQIEISA-N 1 3 182.267 0.094 10 0 ACAEHO C[C@H]([NH2+]C1CSC1)[C@@H](C)N 575471200 352285850 /nfs/dbraw/zinc/28/58/50/352285850.db2.gz DAOWVOKOTZZKOR-RITPCOANSA-N 1 3 160.286 0.427 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]C1CSC1 575471201 352285864 /nfs/dbraw/zinc/28/58/64/352285864.db2.gz DAOWVOKOTZZKOR-WDSKDSINSA-N 1 3 160.286 0.427 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]C1CSC1 575471199 352286089 /nfs/dbraw/zinc/28/60/89/352286089.db2.gz DAOWVOKOTZZKOR-PHDIDXHHSA-N 1 3 160.286 0.427 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]C1CSC1 575471196 352286164 /nfs/dbraw/zinc/28/61/64/352286164.db2.gz DAOWVOKOTZZKOR-NTSWFWBYSA-N 1 3 160.286 0.427 10 0 ACAEHO C[C@H]1C[C@@H]([NH+]2CCC2)CCN1 575475735 352292922 /nfs/dbraw/zinc/29/29/22/352292922.db2.gz VCKCZMJWOVEGJY-IUCAKERBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H]1C[C@H]([NH+]2CCC2)CCN1 575475734 352292987 /nfs/dbraw/zinc/29/29/87/352292987.db2.gz VCKCZMJWOVEGJY-DTWKUNHWSA-N 1 3 154.257 0.833 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H]2CN(C3COC3)C[C@@H]21 575475690 352292998 /nfs/dbraw/zinc/29/29/98/352292998.db2.gz LBOVRGAZEWMGFS-FKTZTGRPSA-N 1 3 182.267 0.054 10 0 ACAEHO C[C@@H]1C[C@@H]([NH+]2CCC2)CCN1 575475733 352293055 /nfs/dbraw/zinc/29/30/55/352293055.db2.gz VCKCZMJWOVEGJY-BDAKNGLRSA-N 1 3 154.257 0.833 10 0 ACAEHO [NH3+][C@@H]1CC[C@H]2CN(C3COC3)C[C@@H]12 575475691 352293112 /nfs/dbraw/zinc/29/31/12/352293112.db2.gz LBOVRGAZEWMGFS-FXBDTBDDSA-N 1 3 182.267 0.054 10 0 ACAEHO [NH3+][C@@H]1CC[C@H]2CN(C3COC3)C[C@H]12 575475693 352293141 /nfs/dbraw/zinc/29/31/41/352293141.db2.gz LBOVRGAZEWMGFS-UJNFCWOMSA-N 1 3 182.267 0.054 10 0 ACAEHO [NH3+][C@@H]1CC[C@@H]2CN(C3COC3)C[C@H]21 575475692 352293196 /nfs/dbraw/zinc/29/31/96/352293196.db2.gz LBOVRGAZEWMGFS-SZEHBUNVSA-N 1 3 182.267 0.054 10 0 ACAEHO C[C@@H]1C[C@H]([NH+]2CCC2)CCN1 575475736 352293311 /nfs/dbraw/zinc/29/33/11/352293311.db2.gz VCKCZMJWOVEGJY-RKDXNWHRSA-N 1 3 154.257 0.833 10 0 ACAEHO [NH3+][C@H]1CC=C(CN2CC=CC2)C1 575478493 352295977 /nfs/dbraw/zinc/29/59/77/352295977.db2.gz HBSOQMXHMZTBEF-JTQLQIEISA-N 1 3 164.252 0.906 10 0 ACAEHO [NH3+][C@@H]1CC=C(CN2CCC2)C1 575478572 352295983 /nfs/dbraw/zinc/29/59/83/352295983.db2.gz HWRHMXMZPZERIC-SECBINFHSA-N 1 3 152.241 0.740 10 0 ACAEHO [NH3+][C@@H]1CC=C(CN2CC=CC2)C1 575478494 352296030 /nfs/dbraw/zinc/29/60/30/352296030.db2.gz HBSOQMXHMZTBEF-SNVBAGLBSA-N 1 3 164.252 0.906 10 0 ACAEHO [NH3+][C@H]1CC=C(CN2CCC2)C1 575478573 352296078 /nfs/dbraw/zinc/29/60/78/352296078.db2.gz HWRHMXMZPZERIC-VIFPVBQESA-N 1 3 152.241 0.740 10 0 ACAEHO C[NH+](C)C[C@H]1CCC2(CNC2)O1 575478761 352296620 /nfs/dbraw/zinc/29/66/20/352296620.db2.gz ANKWPFQOJFFMFZ-MRVPVSSYSA-N 1 3 170.256 0.069 10 0 ACAEHO CN(C)C[C@H]1CCC2(C[NH2+]C2)O1 575478761 352296623 /nfs/dbraw/zinc/29/66/23/352296623.db2.gz ANKWPFQOJFFMFZ-MRVPVSSYSA-N 1 3 170.256 0.069 10 0 ACAEHO C[NH+](C)C[C@@H]1CCC2(CNC2)O1 575478762 352296807 /nfs/dbraw/zinc/29/68/07/352296807.db2.gz ANKWPFQOJFFMFZ-QMMMGPOBSA-N 1 3 170.256 0.069 10 0 ACAEHO CN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 575478762 352296810 /nfs/dbraw/zinc/29/68/10/352296810.db2.gz ANKWPFQOJFFMFZ-QMMMGPOBSA-N 1 3 170.256 0.069 10 0 ACAEHO CC(C)(C)N1CC[C@H](NC(N)=[NH2+])C1 575479135 352298526 /nfs/dbraw/zinc/29/85/26/352298526.db2.gz FFQYFPOTGRRYNB-ZETCQYMHSA-N 1 3 184.287 0.342 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2COC[C@@H]2C)C[C@H]1N 575479249 352299236 /nfs/dbraw/zinc/29/92/36/352299236.db2.gz CMPAGUMJNIIAGO-UTINFBMNSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2COC[C@@H]2C)C[C@H]1N 575479249 352299238 /nfs/dbraw/zinc/29/92/38/352299238.db2.gz CMPAGUMJNIIAGO-UTINFBMNSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H]1COC[C@H]1[N@H+]1C[C@@H](C)[C@@H](N)C1 575479250 352299261 /nfs/dbraw/zinc/29/92/61/352299261.db2.gz CMPAGUMJNIIAGO-XFWSIPNHSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1COC[C@H]1[N@H+]1C[C@@H](N)[C@H](C)C1 575479251 352299310 /nfs/dbraw/zinc/29/93/10/352299310.db2.gz CMPAGUMJNIIAGO-ZYUZMQFOSA-N 1 3 184.283 0.300 10 0 ACAEHO N[C@@H](C[NH3+])[C@@H]1CC[C@@H]2C[C@@H]2C1 575479269 352299360 /nfs/dbraw/zinc/29/93/60/352299360.db2.gz WTLDBMKNXHABIJ-BGZDPUMWSA-N 1 3 154.257 0.709 10 0 ACAEHO N[C@@H](C[NH3+])[C@@H]1CC[C@H]2C[C@H]2C1 575479275 352299439 /nfs/dbraw/zinc/29/94/39/352299439.db2.gz WTLDBMKNXHABIJ-KZVJFYERSA-N 1 3 154.257 0.709 10 0 ACAEHO C[C@@H]1COC[C@H]1[N@@H+]1C[C@@H](C)[C@@H](N)C1 575479248 352299473 /nfs/dbraw/zinc/29/94/73/352299473.db2.gz CMPAGUMJNIIAGO-DOLQZWNJSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1COC[C@H]1[N@H+]1C[C@@H](C)[C@@H](N)C1 575479248 352299475 /nfs/dbraw/zinc/29/94/75/352299475.db2.gz CMPAGUMJNIIAGO-DOLQZWNJSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@H](N)CC[C@H]1C 575479363 352299889 /nfs/dbraw/zinc/29/98/89/352299889.db2.gz DGARJDOCGXFKOI-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@H](N)CC[C@H]1C 575479363 352299891 /nfs/dbraw/zinc/29/98/91/352299891.db2.gz DGARJDOCGXFKOI-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@H+]1[C@H](C)CO 575479357 352300065 /nfs/dbraw/zinc/30/00/65/352300065.db2.gz DGARJDOCGXFKOI-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@@H+]1[C@H](C)CO 575479357 352300067 /nfs/dbraw/zinc/30/00/67/352300067.db2.gz DGARJDOCGXFKOI-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@H+]1[C@H](C)CO 575479364 352300091 /nfs/dbraw/zinc/30/00/91/352300091.db2.gz DGARJDOCGXFKOI-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@@H+]1[C@H](C)CO 575479364 352300092 /nfs/dbraw/zinc/30/00/92/352300092.db2.gz DGARJDOCGXFKOI-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@@H+]1C[C@@H](N)CC[C@H]1C 575479362 352300125 /nfs/dbraw/zinc/30/01/25/352300125.db2.gz DGARJDOCGXFKOI-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](CO)[N@H+]1C[C@@H](N)CC[C@H]1C 575479362 352300126 /nfs/dbraw/zinc/30/01/26/352300126.db2.gz DGARJDOCGXFKOI-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@@H+]1CC(C)(C)O 575479682 352301629 /nfs/dbraw/zinc/30/16/29/352301629.db2.gz FAPBXMCDKBWEFU-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@H+]1CC(C)(C)O 575479682 352301632 /nfs/dbraw/zinc/30/16/32/352301632.db2.gz FAPBXMCDKBWEFU-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1CC(C)(C)O 575479685 352301663 /nfs/dbraw/zinc/30/16/63/352301663.db2.gz FAPBXMCDKBWEFU-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1CC(C)(C)O 575479685 352301664 /nfs/dbraw/zinc/30/16/64/352301664.db2.gz FAPBXMCDKBWEFU-RKDXNWHRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@@H+]1CC(C)(C)O 575479681 352301711 /nfs/dbraw/zinc/30/17/11/352301711.db2.gz FAPBXMCDKBWEFU-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@H+]1CC(C)(C)O 575479681 352301714 /nfs/dbraw/zinc/30/17/14/352301714.db2.gz FAPBXMCDKBWEFU-DTWKUNHWSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1CC(C)(C)O 575479680 352301857 /nfs/dbraw/zinc/30/18/57/352301857.db2.gz FAPBXMCDKBWEFU-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1CC(C)(C)O 575479680 352301859 /nfs/dbraw/zinc/30/18/59/352301859.db2.gz FAPBXMCDKBWEFU-BDAKNGLRSA-N 1 3 186.299 0.569 10 0 ACAEHO C[C@H]([NH3+])CN[C@@]12CCC[C@@H]1C2 575480008 352302861 /nfs/dbraw/zinc/30/28/61/352302861.db2.gz JVBHWNSAFKNJQH-DJLDLDEBSA-N 1 3 154.257 0.866 10 0 ACAEHO C[C@@H]([NH3+])CN[C@]12CCC[C@H]1C2 575480012 352302900 /nfs/dbraw/zinc/30/29/00/352302900.db2.gz 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C[C@H]1COC[C@H]1[N@@H+]1CCCNCC1 575480329 352304606 /nfs/dbraw/zinc/30/46/06/352304606.db2.gz IMGPKSUEBSIPOK-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@H]1COC[C@H]1[N@H+]1CCCNCC1 575480329 352304608 /nfs/dbraw/zinc/30/46/08/352304608.db2.gz IMGPKSUEBSIPOK-VHSXEESVSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1COC[C@H]1[N@@H+]1CCCNCC1 575480327 352304869 /nfs/dbraw/zinc/30/48/69/352304869.db2.gz IMGPKSUEBSIPOK-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1COC[C@H]1[N@H+]1CCCNCC1 575480327 352304871 /nfs/dbraw/zinc/30/48/71/352304871.db2.gz IMGPKSUEBSIPOK-NXEZZACHSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1COC[C@@H]1[N@@H+]1CCCNCC1 575480330 352305002 /nfs/dbraw/zinc/30/50/02/352305002.db2.gz IMGPKSUEBSIPOK-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO C[C@@H]1COC[C@@H]1[N@H+]1CCCNCC1 575480330 352305004 /nfs/dbraw/zinc/30/50/04/352305004.db2.gz IMGPKSUEBSIPOK-ZJUUUORDSA-N 1 3 184.283 0.317 10 0 ACAEHO CC1CN(C[C@H]2COCC[C@@H]2[NH3+])C1 575480472 352305426 /nfs/dbraw/zinc/30/54/26/352305426.db2.gz XGARRCJTTCLJOR-UWVGGRQHSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1CN(C[C@@H]2COCC[C@@H]2[NH3+])C1 575480474 352305445 /nfs/dbraw/zinc/30/54/45/352305445.db2.gz XGARRCJTTCLJOR-ZJUUUORDSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1CN(C[C@H]2COCC[C@H]2[NH3+])C1 575480473 352305465 /nfs/dbraw/zinc/30/54/65/352305465.db2.gz XGARRCJTTCLJOR-VHSXEESVSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1CN(C[C@@H]2COCC[C@H]2[NH3+])C1 575480471 352305508 /nfs/dbraw/zinc/30/55/08/352305508.db2.gz XGARRCJTTCLJOR-NXEZZACHSA-N 1 3 184.283 0.302 10 0 ACAEHO CN(C(N)=[NH2+])[C@H]1CN(C)C(C)(C)C1 575480729 352306678 /nfs/dbraw/zinc/30/66/78/352306678.db2.gz ZHZXAPNSYSZKGM-SSDOTTSWSA-N 1 3 184.287 0.294 10 0 ACAEHO CN(C(N)=[NH2+])[C@@H]1CN(C)C(C)(C)C1 575480734 352306942 /nfs/dbraw/zinc/30/69/42/352306942.db2.gz ZHZXAPNSYSZKGM-ZETCQYMHSA-N 1 3 184.287 0.294 10 0 ACAEHO CC[C@H]1[NH2+]CC[C@@H]1CNC 575481678 352311866 /nfs/dbraw/zinc/31/18/66/352311866.db2.gz PFADGYDRVWMYBJ-HTQZYQBOSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[C@@H]1[NH2+]CC[C@H]1CNC 575481687 352312260 /nfs/dbraw/zinc/31/22/60/352312260.db2.gz PFADGYDRVWMYBJ-YUMQZZPRSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[C@@H]1[NH2+]CC[C@@H]1CNC 575481686 352312471 /nfs/dbraw/zinc/31/24/71/352312471.db2.gz PFADGYDRVWMYBJ-SFYZADRCSA-N 1 3 142.246 0.594 10 0 ACAEHO CC[C@H]1[NH2+]CC[C@H]1CNC 575481685 352312559 /nfs/dbraw/zinc/31/25/59/352312559.db2.gz PFADGYDRVWMYBJ-JGVFFNPUSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@H](N)CC[C@H]1C 575482269 352315022 /nfs/dbraw/zinc/31/50/22/352315022.db2.gz QTBHMQOJUMGLGJ-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@H](N)CC[C@H]1C 575482269 352315024 /nfs/dbraw/zinc/31/50/24/352315024.db2.gz QTBHMQOJUMGLGJ-IWSPIJDZSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@H](N)CC[C@@H]1C 575482271 352315120 /nfs/dbraw/zinc/31/51/20/352315120.db2.gz QTBHMQOJUMGLGJ-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@H](N)CC[C@@H]1C 575482271 352315123 /nfs/dbraw/zinc/31/51/23/352315123.db2.gz QTBHMQOJUMGLGJ-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@H+]1C[C@@H](C)O 575482272 352315344 /nfs/dbraw/zinc/31/53/44/352315344.db2.gz QTBHMQOJUMGLGJ-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@@H+]1C[C@@H](C)O 575482272 352315347 /nfs/dbraw/zinc/31/53/47/352315347.db2.gz QTBHMQOJUMGLGJ-YIZRAAEISA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@H+]1C[C@@H](C)O 575482262 352315360 /nfs/dbraw/zinc/31/53/60/352315360.db2.gz QTBHMQOJUMGLGJ-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@@H+]1C[C@@H](C)O 575482262 352315363 /nfs/dbraw/zinc/31/53/63/352315363.db2.gz QTBHMQOJUMGLGJ-DJLDLDEBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@H](N)CC[C@H]1C 575482267 352315389 /nfs/dbraw/zinc/31/53/89/352315389.db2.gz QTBHMQOJUMGLGJ-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@H](N)CC[C@H]1C 575482267 352315392 /nfs/dbraw/zinc/31/53/92/352315392.db2.gz QTBHMQOJUMGLGJ-HRDYMLBCSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@@H+]1C[C@@H](N)CC[C@H]1C 575482265 352315412 /nfs/dbraw/zinc/31/54/12/352315412.db2.gz QTBHMQOJUMGLGJ-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@@H](O)C[N@H+]1C[C@@H](N)CC[C@H]1C 575482265 352315413 /nfs/dbraw/zinc/31/54/13/352315413.db2.gz QTBHMQOJUMGLGJ-HLTSFMKQSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@@H](N)CC[C@H]1C 575482270 352315429 /nfs/dbraw/zinc/31/54/29/352315429.db2.gz QTBHMQOJUMGLGJ-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@@H](N)CC[C@H]1C 575482270 352315433 /nfs/dbraw/zinc/31/54/33/352315433.db2.gz QTBHMQOJUMGLGJ-VGMNWLOBSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@@H+]1C[C@@H](N)CC[C@@H]1C 575482259 352315485 /nfs/dbraw/zinc/31/54/85/352315485.db2.gz QTBHMQOJUMGLGJ-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 ACAEHO C[C@H](O)C[N@H+]1C[C@@H](N)CC[C@@H]1C 575482259 352315488 /nfs/dbraw/zinc/31/54/88/352315488.db2.gz QTBHMQOJUMGLGJ-CIUDSAMLSA-N 1 3 172.272 0.179 10 0 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352320882 /nfs/dbraw/zinc/32/08/82/352320882.db2.gz FRXHQMDTECXHPH-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]1COC[C@@H]1[NH2+]C1CCNCC1 575483333 352320885 /nfs/dbraw/zinc/32/08/85/352320885.db2.gz FRXHQMDTECXHPH-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1COC[C@@H]1NC1CC[NH2+]CC1 575483328 352320914 /nfs/dbraw/zinc/32/09/14/352320914.db2.gz FRXHQMDTECXHPH-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1COC[C@@H]1[NH2+]C1CCNCC1 575483328 352320916 /nfs/dbraw/zinc/32/09/16/352320916.db2.gz FRXHQMDTECXHPH-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1COC[C@H]1NC1CC[NH2+]CC1 575483325 352321167 /nfs/dbraw/zinc/32/11/67/352321167.db2.gz FRXHQMDTECXHPH-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1COC[C@H]1[NH2+]C1CCNCC1 575483325 352321171 /nfs/dbraw/zinc/32/11/71/352321171.db2.gz FRXHQMDTECXHPH-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]1COC[C@H]1NC1CC[NH2+]CC1 575483331 352321186 /nfs/dbraw/zinc/32/11/86/352321186.db2.gz FRXHQMDTECXHPH-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]1COC[C@H]1[NH2+]C1CCNCC1 575483331 352321187 /nfs/dbraw/zinc/32/11/87/352321187.db2.gz FRXHQMDTECXHPH-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1COC[C@@H]1N[C@H]1CC[C@H]([NH3+])C1 575483565 352322363 /nfs/dbraw/zinc/32/23/63/352322363.db2.gz GDZKMSSDFWFHLL-KATARQTJSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COC[C@@H]1N[C@H]1CC[C@@H]([NH3+])C1 575483557 352322549 /nfs/dbraw/zinc/32/25/49/352322549.db2.gz GDZKMSSDFWFHLL-IMSYWVGJSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COC[C@@H]1N1CC[C@H](C[NH3+])C1 575483692 352323378 /nfs/dbraw/zinc/32/33/78/352323378.db2.gz VUUNLINHVFIUHP-BBBLOLIVSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1COC[C@H]1N1CC[C@@H](C[NH3+])C1 575483693 352323395 /nfs/dbraw/zinc/32/33/95/352323395.db2.gz VUUNLINHVFIUHP-KXUCPTDWSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1COC[C@@H]1N1CC[C@@H](C[NH3+])C1 575483695 352323461 /nfs/dbraw/zinc/32/34/61/352323461.db2.gz VUUNLINHVFIUHP-UTLUCORTSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1COC[C@H]1N1CC[C@H](C[NH3+])C1 575483694 352323492 /nfs/dbraw/zinc/32/34/92/352323492.db2.gz VUUNLINHVFIUHP-OPRDCNLKSA-N 1 3 184.283 0.302 10 0 ACAEHO [NH3+][C@H]1C[C@@H](CN2CC[C@@H](F)C2)C1 575484012 352324824 /nfs/dbraw/zinc/32/48/24/352324824.db2.gz HDLPINUGVFKICO-HLTSFMKQSA-N 1 3 172.247 0.768 10 0 ACAEHO [NH3+][C@H]1C[C@@H](CN2CC[C@H](F)C2)C1 575484014 352324923 /nfs/dbraw/zinc/32/49/23/352324923.db2.gz HDLPINUGVFKICO-XHNCKOQMSA-N 1 3 172.247 0.768 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CC[C@H]2COC[C@H]2C1 575484403 352326810 /nfs/dbraw/zinc/32/68/10/352326810.db2.gz ILYNKQAOUVGTCO-KXUCPTDWSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@H+]1CC[C@H]2COC[C@H]2C1 575484403 352326811 /nfs/dbraw/zinc/32/68/11/352326811.db2.gz ILYNKQAOUVGTCO-KXUCPTDWSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 575484395 352326828 /nfs/dbraw/zinc/32/68/28/352326828.db2.gz ILYNKQAOUVGTCO-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@H]2COC[C@@H]2C1 575484395 352326830 /nfs/dbraw/zinc/32/68/30/352326830.db2.gz ILYNKQAOUVGTCO-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 575484390 352326894 /nfs/dbraw/zinc/32/68/94/352326894.db2.gz ILYNKQAOUVGTCO-AEJSXWLSSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 575484390 352326896 /nfs/dbraw/zinc/32/68/96/352326896.db2.gz ILYNKQAOUVGTCO-AEJSXWLSSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@H]2COC[C@H]2C1 575484404 352326933 /nfs/dbraw/zinc/32/69/33/352326933.db2.gz ILYNKQAOUVGTCO-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@H]2COC[C@H]2C1 575484404 352326936 /nfs/dbraw/zinc/32/69/36/352326936.db2.gz ILYNKQAOUVGTCO-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 575484392 352326973 /nfs/dbraw/zinc/32/69/73/352326973.db2.gz ILYNKQAOUVGTCO-BBBLOLIVSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 575484392 352326974 /nfs/dbraw/zinc/32/69/74/352326974.db2.gz ILYNKQAOUVGTCO-BBBLOLIVSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 575484408 352326993 /nfs/dbraw/zinc/32/69/93/352326993.db2.gz ILYNKQAOUVGTCO-UTLUCORTSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@H+]1CC[C@H]2COC[C@@H]2C1 575484408 352326997 /nfs/dbraw/zinc/32/69/97/352326997.db2.gz ILYNKQAOUVGTCO-UTLUCORTSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 575484402 352327096 /nfs/dbraw/zinc/32/70/96/352327096.db2.gz ILYNKQAOUVGTCO-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1CC[C@@H]2COC[C@H]2C1 575484402 352327097 /nfs/dbraw/zinc/32/70/97/352327097.db2.gz ILYNKQAOUVGTCO-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 575484405 352327186 /nfs/dbraw/zinc/32/71/86/352327186.db2.gz ILYNKQAOUVGTCO-OPRDCNLKSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H](N)C[N@H+]1CC[C@@H]2COC[C@H]2C1 575484405 352327188 /nfs/dbraw/zinc/32/71/88/352327188.db2.gz ILYNKQAOUVGTCO-OPRDCNLKSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1C1CC1 575484650 352328063 /nfs/dbraw/zinc/32/80/63/352328063.db2.gz ZXQZSUZPLVPQFG-HTQZYQBOSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1C1CC1 575484650 352328065 /nfs/dbraw/zinc/32/80/65/352328065.db2.gz ZXQZSUZPLVPQFG-HTQZYQBOSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@@H+]1C1CC1 575484651 352328419 /nfs/dbraw/zinc/32/84/19/352328419.db2.gz ZXQZSUZPLVPQFG-JGVFFNPUSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@H+]1C1CC1 575484651 352328422 /nfs/dbraw/zinc/32/84/22/352328422.db2.gz ZXQZSUZPLVPQFG-JGVFFNPUSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1C1CC1 575484652 352328481 /nfs/dbraw/zinc/32/84/81/352328481.db2.gz ZXQZSUZPLVPQFG-SFYZADRCSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1C1CC1 575484652 352328483 /nfs/dbraw/zinc/32/84/83/352328483.db2.gz ZXQZSUZPLVPQFG-SFYZADRCSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@@H+]1C1CC1 575484653 352328694 /nfs/dbraw/zinc/32/86/94/352328694.db2.gz ZXQZSUZPLVPQFG-YUMQZZPRSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@H+]1C1CC1 575484653 352328698 /nfs/dbraw/zinc/32/86/98/352328698.db2.gz ZXQZSUZPLVPQFG-YUMQZZPRSA-N 1 3 154.257 0.960 10 0 ACAEHO [NH3+][C@H]1CCN(C[C@@H]2CC23CC3)C1 575484978 352329116 /nfs/dbraw/zinc/32/91/16/352329116.db2.gz XKULRJSVXKCXSE-IUCAKERBSA-N 1 3 166.268 0.820 10 0 ACAEHO [NH3+][C@@H]1CCN(C[C@H]2CC23CC3)C1 575484979 352329144 /nfs/dbraw/zinc/32/91/44/352329144.db2.gz XKULRJSVXKCXSE-RKDXNWHRSA-N 1 3 166.268 0.820 10 0 ACAEHO [NH3+][C@H]1CCN(C[C@H]2CC23CC3)C1 575484976 352329262 /nfs/dbraw/zinc/32/92/62/352329262.db2.gz XKULRJSVXKCXSE-BDAKNGLRSA-N 1 3 166.268 0.820 10 0 ACAEHO [NH3+][C@@H]1CCN(C[C@@H]2CC23CC3)C1 575484977 352329340 /nfs/dbraw/zinc/32/93/40/352329340.db2.gz XKULRJSVXKCXSE-DTWKUNHWSA-N 1 3 166.268 0.820 10 0 ACAEHO [NH3+][C@H]1C[C@H](CN2CCOCC2)C1 575485194 352330601 /nfs/dbraw/zinc/33/06/01/352330601.db2.gz LOIXKQIHEICTAF-KYZUINATSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@H]1CN(C[C@H]2C[C@H]([NH3+])C2)CCO1 575485446 352331169 /nfs/dbraw/zinc/33/11/69/352331169.db2.gz PCFFNYXEUJMUOT-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN(C[C@H]2C[C@H]([NH3+])C2)CCO1 575485447 352331194 /nfs/dbraw/zinc/33/11/94/352331194.db2.gz PCFFNYXEUJMUOT-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@@H+]1CCC[C@H]2COC[C@@H]21 575486006 352334333 /nfs/dbraw/zinc/33/43/33/352334333.db2.gz TVSYKQHKYHCEDU-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@H+]1CCC[C@H]2COC[C@@H]21 575486006 352334335 /nfs/dbraw/zinc/33/43/35/352334335.db2.gz TVSYKQHKYHCEDU-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@@H+]1CCC[C@H]2COC[C@H]21 575486003 352334352 /nfs/dbraw/zinc/33/43/52/352334352.db2.gz TVSYKQHKYHCEDU-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@H+]1CCC[C@H]2COC[C@H]21 575486003 352334353 /nfs/dbraw/zinc/33/43/53/352334353.db2.gz TVSYKQHKYHCEDU-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@@H+]1CCC[C@@H]2COC[C@H]21 575486004 352334380 /nfs/dbraw/zinc/33/43/80/352334380.db2.gz TVSYKQHKYHCEDU-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@H+]1CCC[C@@H]2COC[C@H]21 575486004 352334381 /nfs/dbraw/zinc/33/43/81/352334381.db2.gz TVSYKQHKYHCEDU-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@@H+]1CCC[C@@H]2COC[C@@H]21 575486002 352334445 /nfs/dbraw/zinc/33/44/45/352334445.db2.gz TVSYKQHKYHCEDU-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H](CN)[N@H+]1CCC[C@@H]2COC[C@@H]21 575486002 352334447 /nfs/dbraw/zinc/33/44/47/352334447.db2.gz TVSYKQHKYHCEDU-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO NC1CC([NH2+]CC2CSC2)C1 575486541 352337282 /nfs/dbraw/zinc/33/72/82/352337282.db2.gz IICYGUVTMIKHHJ-UHFFFAOYSA-N 1 3 172.297 0.429 10 0 ACAEHO [NH3+]C1CC(NCC2CSC2)C1 575486541 352337283 /nfs/dbraw/zinc/33/72/83/352337283.db2.gz IICYGUVTMIKHHJ-UHFFFAOYSA-N 1 3 172.297 0.429 10 0 ACAEHO C[C@H]1COC[C@@H]1NC1CC([NH3+])C1 575486813 352338867 /nfs/dbraw/zinc/33/88/67/352338867.db2.gz YHLYSVUJZKLBDB-KRTGUUSXSA-N 1 3 170.256 0.101 10 0 ACAEHO C[C@H]1COC[C@H]1NC1CC([NH3+])C1 575486803 352338886 /nfs/dbraw/zinc/33/88/86/352338886.db2.gz YHLYSVUJZKLBDB-DFAZKQQPSA-N 1 3 170.256 0.101 10 0 ACAEHO C[C@@H]1COC[C@@H]1NC1CC([NH3+])C1 575486811 352338933 /nfs/dbraw/zinc/33/89/33/352338933.db2.gz YHLYSVUJZKLBDB-KHONBHQKSA-N 1 3 170.256 0.101 10 0 ACAEHO C[C@@H]1COC[C@H]1NC1CC([NH3+])C1 575486814 352339015 /nfs/dbraw/zinc/33/90/15/352339015.db2.gz YHLYSVUJZKLBDB-MDVIFZSFSA-N 1 3 170.256 0.101 10 0 ACAEHO CC[NH2+]C[C@H]1CNCC[C@H]1C 575487669 352344151 /nfs/dbraw/zinc/34/41/51/352344151.db2.gz FQWCTWOQJLSVBO-BDAKNGLRSA-N 1 3 156.273 0.842 10 0 ACAEHO CC[NH2+]C[C@H]1CNCC[C@@H]1C 575487671 352344204 /nfs/dbraw/zinc/34/42/04/352344204.db2.gz FQWCTWOQJLSVBO-IUCAKERBSA-N 1 3 156.273 0.842 10 0 ACAEHO CC[NH2+]C[C@@H]1CNCC[C@H]1C 575487672 352344224 /nfs/dbraw/zinc/34/42/24/352344224.db2.gz FQWCTWOQJLSVBO-RKDXNWHRSA-N 1 3 156.273 0.842 10 0 ACAEHO CC[NH2+]C[C@@H]1CNCC[C@@H]1C 575487670 352344272 /nfs/dbraw/zinc/34/42/72/352344272.db2.gz FQWCTWOQJLSVBO-DTWKUNHWSA-N 1 3 156.273 0.842 10 0 ACAEHO C[NH2+]C[C@@H]1CNCC[C@H]1C 575488017 352346392 /nfs/dbraw/zinc/34/63/92/352346392.db2.gz HYDXSQHTOJKFGG-HTQZYQBOSA-N 1 3 142.246 0.451 10 0 ACAEHO C[NH2+]C[C@H]1CNCC[C@H]1C 575488035 352346700 /nfs/dbraw/zinc/34/67/00/352346700.db2.gz HYDXSQHTOJKFGG-SFYZADRCSA-N 1 3 142.246 0.451 10 0 ACAEHO C[NH2+]C[C@@H]1CNCC[C@@H]1C 575488030 352346750 /nfs/dbraw/zinc/34/67/50/352346750.db2.gz HYDXSQHTOJKFGG-JGVFFNPUSA-N 1 3 142.246 0.451 10 0 ACAEHO C[NH2+]C[C@H]1CNCC[C@@H]1C 575488037 352346888 /nfs/dbraw/zinc/34/68/88/352346888.db2.gz HYDXSQHTOJKFGG-YUMQZZPRSA-N 1 3 142.246 0.451 10 0 ACAEHO CC(C)[NH2+]CC12CC(CN1)C2 575489449 352354060 /nfs/dbraw/zinc/35/40/60/352354060.db2.gz FDKIPOHNYGWQDK-UHFFFAOYSA-N 1 3 154.257 0.736 10 0 ACAEHO CC[NH2+]CC12CC(CN1)C2 575490650 352358032 /nfs/dbraw/zinc/35/80/32/352358032.db2.gz QUCWVMDCHMFOEV-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO CC[NH2+]CC12CC(C)(CN1)C2 575492458 352367519 /nfs/dbraw/zinc/36/75/19/352367519.db2.gz AWISPQMRVVKCFK-UHFFFAOYSA-N 1 3 154.257 0.738 10 0 ACAEHO C[NH2+]CC12CC(C)(CN1)C2 575492434 352367593 /nfs/dbraw/zinc/36/75/93/352367593.db2.gz AFVNZIMPZQYJFF-UHFFFAOYSA-N 1 3 140.230 0.348 10 0 ACAEHO N[C@]1(C[NH3+])C[C@H]2C=C[C@@H]1C2 575492613 352368199 /nfs/dbraw/zinc/36/81/99/352368199.db2.gz FBACZRJGNPJRGW-RNJXMRFFSA-N 1 3 138.214 0.239 10 0 ACAEHO CN1C[C@@H](C[NH3+])C2(CCC2)C1 575492554 352368316 /nfs/dbraw/zinc/36/83/16/352368316.db2.gz AQFZFGCXPCLUEQ-MRVPVSSYSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@@H+]1C[C@@H](CN)C2(CCC2)C1 575492554 352368318 /nfs/dbraw/zinc/36/83/18/352368318.db2.gz AQFZFGCXPCLUEQ-MRVPVSSYSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@H+]1C[C@@H](CN)C2(CCC2)C1 575492554 352368320 /nfs/dbraw/zinc/36/83/20/352368320.db2.gz AQFZFGCXPCLUEQ-MRVPVSSYSA-N 1 3 154.257 0.677 10 0 ACAEHO N[C@@]1(C[NH3+])C[C@H]2C=C[C@@H]1C2 575492614 352368413 /nfs/dbraw/zinc/36/84/13/352368413.db2.gz FBACZRJGNPJRGW-XLPZGREQSA-N 1 3 138.214 0.239 10 0 ACAEHO CN1C[C@H](C[NH3+])C2(CCC2)C1 575492559 352368428 /nfs/dbraw/zinc/36/84/28/352368428.db2.gz AQFZFGCXPCLUEQ-QMMMGPOBSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@@H+]1C[C@H](CN)C2(CCC2)C1 575492559 352368431 /nfs/dbraw/zinc/36/84/31/352368431.db2.gz AQFZFGCXPCLUEQ-QMMMGPOBSA-N 1 3 154.257 0.677 10 0 ACAEHO C[N@H+]1C[C@H](CN)C2(CCC2)C1 575492559 352368433 /nfs/dbraw/zinc/36/84/33/352368433.db2.gz AQFZFGCXPCLUEQ-QMMMGPOBSA-N 1 3 154.257 0.677 10 0 ACAEHO C[C@@H]1CCN(C[C@@]2(O)CC[NH2+]C2)C1 575494406 352377957 /nfs/dbraw/zinc/37/79/57/352377957.db2.gz YZLZXUVQMXPEHS-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1CCN(C[C@@]2(O)CC[NH2+]C2)C1 575494410 352378034 /nfs/dbraw/zinc/37/80/34/352378034.db2.gz YZLZXUVQMXPEHS-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@@H]1CCN(C[C@]2(O)CC[NH2+]C2)C1 575494412 352378052 /nfs/dbraw/zinc/37/80/52/352378052.db2.gz YZLZXUVQMXPEHS-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1CCN(C[C@]2(O)CC[NH2+]C2)C1 575494408 352378208 /nfs/dbraw/zinc/37/82/08/352378208.db2.gz YZLZXUVQMXPEHS-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1COCCN1C[C@H]1C[C@@H]([NH3+])C1 575497110 352388424 /nfs/dbraw/zinc/38/84/24/352388424.db2.gz DDZTYIKXXUJJGY-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1COCCN1C[C@H]1C[C@@H]([NH3+])C1 575497109 352388468 /nfs/dbraw/zinc/38/84/68/352388468.db2.gz DDZTYIKXXUJJGY-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+]C1CC(CN2CC[C@H](F)C2)C1 575497424 352389628 /nfs/dbraw/zinc/38/96/28/352389628.db2.gz HDLPINUGVFKICO-MGURRDGZSA-N 1 3 172.247 0.768 10 0 ACAEHO [NH3+]C1CC(CN2CC[C@@H](F)C2)C1 575497425 352389751 /nfs/dbraw/zinc/38/97/51/352389751.db2.gz HDLPINUGVFKICO-QJAFJHJLSA-N 1 3 172.247 0.768 10 0 ACAEHO [NH3+][C@H]1C[C@@H](CN2CCOCC2)C1 575497790 352391715 /nfs/dbraw/zinc/39/17/15/352391715.db2.gz LOIXKQIHEICTAF-DTORHVGOSA-N 1 3 170.256 0.056 10 0 ACAEHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 575497929 352392337 /nfs/dbraw/zinc/39/23/37/352392337.db2.gz PCFFNYXEUJMUOT-LPEHRKFASA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 575497928 352392531 /nfs/dbraw/zinc/39/25/31/352392531.db2.gz PCFFNYXEUJMUOT-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+]C1CC(N2CC[C@@H]3C[C@@H]3C2)C1 575499206 352399811 /nfs/dbraw/zinc/39/98/11/352399811.db2.gz HHJWVJZGYXICPC-LGUIWLBCSA-N 1 3 166.268 0.818 10 0 ACAEHO [NH3+]C1CC(N2CC[C@H]3C[C@H]3C2)C1 575499205 352399884 /nfs/dbraw/zinc/39/98/84/352399884.db2.gz HHJWVJZGYXICPC-DKEVHCRPSA-N 1 3 166.268 0.818 10 0 ACAEHO CC1(CN2CC[C@H]3C[C@H]3C2)C[NH2+]C1 575499383 352400799 /nfs/dbraw/zinc/40/07/99/352400799.db2.gz KGXLSWGYMDCDDC-UWVGGRQHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C[N@@H+]2CC[C@H]3C[C@H]3C2)CNC1 575499383 352400803 /nfs/dbraw/zinc/40/08/03/352400803.db2.gz KGXLSWGYMDCDDC-UWVGGRQHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C[N@H+]2CC[C@H]3C[C@H]3C2)CNC1 575499383 352400804 /nfs/dbraw/zinc/40/08/04/352400804.db2.gz KGXLSWGYMDCDDC-UWVGGRQHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(CN2CC[C@@H]3C[C@@H]3C2)C[NH2+]C1 575499382 352400827 /nfs/dbraw/zinc/40/08/27/352400827.db2.gz KGXLSWGYMDCDDC-NXEZZACHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CNC1 575499382 352400829 /nfs/dbraw/zinc/40/08/29/352400829.db2.gz KGXLSWGYMDCDDC-NXEZZACHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CNC1 575499382 352400833 /nfs/dbraw/zinc/40/08/33/352400833.db2.gz KGXLSWGYMDCDDC-NXEZZACHSA-N 1 3 180.295 0.938 10 0 ACAEHO NCC1([N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 575499584 352402099 /nfs/dbraw/zinc/40/20/99/352402099.db2.gz ODIQANBXIPTVPN-RKDXNWHRSA-N 1 3 166.268 0.820 10 0 ACAEHO NCC1([N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 575499584 352402102 /nfs/dbraw/zinc/40/21/02/352402102.db2.gz ODIQANBXIPTVPN-RKDXNWHRSA-N 1 3 166.268 0.820 10 0 ACAEHO NCC1([N@@H+]2CC[C@H]3C[C@H]3C2)CC1 575499583 352402380 /nfs/dbraw/zinc/40/23/80/352402380.db2.gz ODIQANBXIPTVPN-IUCAKERBSA-N 1 3 166.268 0.820 10 0 ACAEHO NCC1([N@H+]2CC[C@H]3C[C@H]3C2)CC1 575499583 352402384 /nfs/dbraw/zinc/40/23/84/352402384.db2.gz ODIQANBXIPTVPN-IUCAKERBSA-N 1 3 166.268 0.820 10 0 ACAEHO C[C@H]1C[C@H]1NC[C@H]1CC[NH2+]C1 575499743 352403031 /nfs/dbraw/zinc/40/30/31/352403031.db2.gz MGWWVMVXBYLPEH-XHNCKOQMSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[C@@H]1NC[C@H]1CC[NH2+]C1 575499741 352403077 /nfs/dbraw/zinc/40/30/77/352403077.db2.gz MGWWVMVXBYLPEH-CIUDSAMLSA-N 1 3 154.257 0.594 10 0 ACAEHO C1[NH2+]CC1CN1CC[C@H]2C[C@H]2C1 575500048 352404715 /nfs/dbraw/zinc/40/47/15/352404715.db2.gz QCOOCPSSBIUFPB-UWVGGRQHSA-N 1 3 166.268 0.548 10 0 ACAEHO C/C(=C/C[NH3+])CN1CC=CC1 575500049 352404743 /nfs/dbraw/zinc/40/47/43/352404743.db2.gz CGOYXADAYDGTAN-WTKPLQERSA-N 1 3 152.241 0.763 10 0 ACAEHO C1[NH2+]CC1CN1CC[C@@H]2C[C@@H]2C1 575500040 352404887 /nfs/dbraw/zinc/40/48/87/352404887.db2.gz QCOOCPSSBIUFPB-NXEZZACHSA-N 1 3 166.268 0.548 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@H]1CN(C)C 575500703 352407944 /nfs/dbraw/zinc/40/79/44/352407944.db2.gz NFHUIFNUBGRYDV-BDAKNGLRSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@H]1CC[NH2+]C[C@H]1CN(C)C 575500710 352408158 /nfs/dbraw/zinc/40/81/58/352408158.db2.gz NFHUIFNUBGRYDV-IUCAKERBSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@H]1CC[NH2+]C[C@@H]1CN(C)C 575500709 352408450 /nfs/dbraw/zinc/40/84/50/352408450.db2.gz NFHUIFNUBGRYDV-DTWKUNHWSA-N 1 3 156.273 0.794 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@@H]1CN(C)C 575500711 352408480 /nfs/dbraw/zinc/40/84/80/352408480.db2.gz NFHUIFNUBGRYDV-RKDXNWHRSA-N 1 3 156.273 0.794 10 0 ACAEHO Cn1ccnc1NC1CC(C[NH3+])C1 575500787 352408967 /nfs/dbraw/zinc/40/89/67/352408967.db2.gz OSOZAJSKEKUONZ-UHFFFAOYSA-N 1 3 180.255 0.569 10 0 ACAEHO CN1CCC(SC(=[NH2+])NN)CC1 575500998 352409658 /nfs/dbraw/zinc/40/96/58/352409658.db2.gz RSPGAISHSNLHMC-UHFFFAOYSA-N 1 3 188.300 0.212 10 0 ACAEHO CN1CCC(SC(N)=[NH2+])CC1 575501242 352410970 /nfs/dbraw/zinc/41/09/70/352410970.db2.gz VCAXYWIRUDAVOT-UHFFFAOYSA-N 1 3 173.285 0.707 10 0 ACAEHO CC1(C)[C@H]([NH3+])[C@@H]2CCCN[C@H]21 575501306 352411044 /nfs/dbraw/zinc/41/10/44/352411044.db2.gz JOZAALFXEQPFCQ-XLPZGREQSA-N 1 3 154.257 0.722 10 0 ACAEHO CC1(C)[C@H]([NH3+])[C@H]2CCCN[C@H]21 575501303 352411076 /nfs/dbraw/zinc/41/10/76/352411076.db2.gz JOZAALFXEQPFCQ-BWZBUEFSSA-N 1 3 154.257 0.722 10 0 ACAEHO C[NH+]1CCC(SC2=NCCN2)CC1 575501294 352411235 /nfs/dbraw/zinc/41/12/35/352411235.db2.gz XHCVELQQDZGMJZ-UHFFFAOYSA-N 1 3 199.323 0.773 10 0 ACAEHO CC1(C)[C@H]2NCCC[C@H]2[C@H]1[NH3+] 575501305 352411254 /nfs/dbraw/zinc/41/12/54/352411254.db2.gz JOZAALFXEQPFCQ-RNJXMRFFSA-N 1 3 154.257 0.722 10 0 ACAEHO CC1(C)[C@H]2NCCC[C@@H]2[C@H]1[NH3+] 575501304 352411298 /nfs/dbraw/zinc/41/12/98/352411298.db2.gz JOZAALFXEQPFCQ-PRJMDXOYSA-N 1 3 154.257 0.722 10 0 ACAEHO C/C(=C/C[NH3+])CN1CCC1 575501767 352414327 /nfs/dbraw/zinc/41/43/27/352414327.db2.gz PPGKXISPGLURLK-BAQGIRSFSA-N 1 3 140.230 0.597 10 0 ACAEHO C/C(=C\C[NH3+])CN1CCC1 575501775 352414333 /nfs/dbraw/zinc/41/43/33/352414333.db2.gz PPGKXISPGLURLK-FPYGCLRLSA-N 1 3 140.230 0.597 10 0 ACAEHO C[NH2+][C@@H]1[C@@H]2CCCN[C@H]2C1(C)C 575502350 352416766 /nfs/dbraw/zinc/41/67/66/352416766.db2.gz VXONPSBCEYLFGG-DJLDLDEBSA-N 1 3 168.284 0.982 10 0 ACAEHO CN[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C 575502350 352416768 /nfs/dbraw/zinc/41/67/68/352416768.db2.gz VXONPSBCEYLFGG-DJLDLDEBSA-N 1 3 168.284 0.982 10 0 ACAEHO C[NH2+][C@@H]1[C@H]2CCCN[C@H]2C1(C)C 575502354 352416781 /nfs/dbraw/zinc/41/67/81/352416781.db2.gz VXONPSBCEYLFGG-IWSPIJDZSA-N 1 3 168.284 0.982 10 0 ACAEHO CN[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C 575502354 352416784 /nfs/dbraw/zinc/41/67/84/352416784.db2.gz VXONPSBCEYLFGG-IWSPIJDZSA-N 1 3 168.284 0.982 10 0 ACAEHO C[NH2+][C@@H]1[C@H]2CCCN[C@@H]2C1(C)C 575502352 352416790 /nfs/dbraw/zinc/41/67/90/352416790.db2.gz VXONPSBCEYLFGG-HLTSFMKQSA-N 1 3 168.284 0.982 10 0 ACAEHO CN[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C 575502352 352416792 /nfs/dbraw/zinc/41/67/92/352416792.db2.gz VXONPSBCEYLFGG-HLTSFMKQSA-N 1 3 168.284 0.982 10 0 ACAEHO C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C 575502356 352416823 /nfs/dbraw/zinc/41/68/23/352416823.db2.gz VXONPSBCEYLFGG-YIZRAAEISA-N 1 3 168.284 0.982 10 0 ACAEHO CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C 575502356 352416825 /nfs/dbraw/zinc/41/68/25/352416825.db2.gz VXONPSBCEYLFGG-YIZRAAEISA-N 1 3 168.284 0.982 10 0 ACAEHO [NH3+]C1CC(N[C@H]2C=CCC2)C1 575502425 352417771 /nfs/dbraw/zinc/41/77/71/352417771.db2.gz UYQXUUURYBNJOX-MGURRDGZSA-N 1 3 152.241 0.784 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2C=CCC2)C1 575502426 352417786 /nfs/dbraw/zinc/41/77/86/352417786.db2.gz UYQXUUURYBNJOX-QJAFJHJLSA-N 1 3 152.241 0.784 10 0 ACAEHO N[C@H]1CC[N@@H+]([C@@H]2C=CCC2)C1 575503198 352420716 /nfs/dbraw/zinc/42/07/16/352420716.db2.gz GLPFULXIQVUXGP-DTWKUNHWSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@H]1CC[N@H+]([C@@H]2C=CCC2)C1 575503198 352420720 /nfs/dbraw/zinc/42/07/20/352420720.db2.gz GLPFULXIQVUXGP-DTWKUNHWSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@@H]1CC[N@@H+]([C@H]2C=CCC2)C1 575503197 352420866 /nfs/dbraw/zinc/42/08/66/352420866.db2.gz GLPFULXIQVUXGP-BDAKNGLRSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@@H]1CC[N@H+]([C@H]2C=CCC2)C1 575503197 352420869 /nfs/dbraw/zinc/42/08/69/352420869.db2.gz GLPFULXIQVUXGP-BDAKNGLRSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@H]1CC[N@@H+]([C@H]2C=CCC2)C1 575503199 352420943 /nfs/dbraw/zinc/42/09/43/352420943.db2.gz GLPFULXIQVUXGP-IUCAKERBSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@H]1CC[N@H+]([C@H]2C=CCC2)C1 575503199 352420945 /nfs/dbraw/zinc/42/09/45/352420945.db2.gz GLPFULXIQVUXGP-IUCAKERBSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@@H]1CC[N@@H+]([C@@H]2C=CCC2)C1 575503200 352420984 /nfs/dbraw/zinc/42/09/84/352420984.db2.gz GLPFULXIQVUXGP-RKDXNWHRSA-N 1 3 152.241 0.738 10 0 ACAEHO N[C@@H]1CC[N@H+]([C@@H]2C=CCC2)C1 575503200 352420986 /nfs/dbraw/zinc/42/09/86/352420986.db2.gz GLPFULXIQVUXGP-RKDXNWHRSA-N 1 3 152.241 0.738 10 0 ACAEHO C[C@@H]1C[C@@H]1CN1C[C@@H]2C[C@H](C1)C2[NH3+] 575503933 352424420 /nfs/dbraw/zinc/42/44/20/352424420.db2.gz AGHOAPHJLHVXNL-UZJMVKBUSA-N 1 3 180.295 0.921 10 0 ACAEHO C[C@H]1C[C@H]1CN1C[C@@H]2C[C@H](C1)C2[NH3+] 575503932 352424495 /nfs/dbraw/zinc/42/44/95/352424495.db2.gz AGHOAPHJLHVXNL-QQLNDRGWSA-N 1 3 180.295 0.921 10 0 ACAEHO C[C@H]1C[C@@H]1CN1C[C@@H]2C[C@H](C1)C2[NH3+] 575503931 352424693 /nfs/dbraw/zinc/42/46/93/352424693.db2.gz AGHOAPHJLHVXNL-NLSOGMSDSA-N 1 3 180.295 0.921 10 0 ACAEHO C[C@@H]1C[C@H]1CN1C[C@@H]2C[C@H](C1)C2[NH3+] 575503934 352424745 /nfs/dbraw/zinc/42/47/45/352424745.db2.gz AGHOAPHJLHVXNL-WEHBEXOLSA-N 1 3 180.295 0.921 10 0 ACAEHO CC1C[NH+](CC2(N)CC2)C1 575504357 352426604 /nfs/dbraw/zinc/42/66/04/352426604.db2.gz ILXSMUUVAJXAMP-UHFFFAOYSA-N 1 3 140.230 0.429 10 0 ACAEHO CC1CN(C[C@H](C)[C@H](C)[NH3+])C1 575505004 352429474 /nfs/dbraw/zinc/42/94/74/352429474.db2.gz PXLGHCUWLCUNDX-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1CN(C[C@@H](C)[C@@H](C)[NH3+])C1 575505005 352429579 /nfs/dbraw/zinc/42/95/79/352429579.db2.gz PXLGHCUWLCUNDX-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1CN(C[C@@H](C)[C@H](C)[NH3+])C1 575505002 352429713 /nfs/dbraw/zinc/42/97/13/352429713.db2.gz PXLGHCUWLCUNDX-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1CN(C[C@H](C)[C@@H](C)[NH3+])C1 575505003 352429797 /nfs/dbraw/zinc/42/97/97/352429797.db2.gz PXLGHCUWLCUNDX-DTWKUNHWSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1CN(CCC2([NH3+])CC2)C1 575506020 352433142 /nfs/dbraw/zinc/43/31/42/352433142.db2.gz CFXDZDKANSHMGA-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1CN(C[C@H]2CC[NH2+][C@H]2C)C1 575506210 352433720 /nfs/dbraw/zinc/43/37/20/352433720.db2.gz HLTAPRLGYZSMKX-VHSXEESVSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN(C[C@@H]2CC[NH2+][C@H]2C)C1 575506209 352433762 /nfs/dbraw/zinc/43/37/62/352433762.db2.gz HLTAPRLGYZSMKX-UWVGGRQHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN(C[C@H]2CC[NH2+][C@@H]2C)C1 575506208 352433845 /nfs/dbraw/zinc/43/38/45/352433845.db2.gz HLTAPRLGYZSMKX-NXEZZACHSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN(C[C@@H]2CC[NH2+][C@@H]2C)C1 575506211 352433964 /nfs/dbraw/zinc/43/39/64/352433964.db2.gz HLTAPRLGYZSMKX-ZJUUUORDSA-N 1 3 168.284 0.936 10 0 ACAEHO CC1CN(CC2=CC[C@H]([NH3+])C2)C1 575506528 352436104 /nfs/dbraw/zinc/43/61/04/352436104.db2.gz LUCKIOPTYHPRSJ-JTQLQIEISA-N 1 3 166.268 0.986 10 0 ACAEHO CC1CN(CC2=CC[C@@H]([NH3+])C2)C1 575506529 352436149 /nfs/dbraw/zinc/43/61/49/352436149.db2.gz LUCKIOPTYHPRSJ-SNVBAGLBSA-N 1 3 166.268 0.986 10 0 ACAEHO CN1CCC(OC2CC([NH3+])C2)CC1 575506608 352436607 /nfs/dbraw/zinc/43/66/07/352436607.db2.gz MWDIOTXUIPKVLX-UHFFFAOYSA-N 1 3 184.283 0.587 10 0 ACAEHO CC(C[NH+]1CC(C)C1)=C1CNC1 575506692 352436613 /nfs/dbraw/zinc/43/66/13/352436613.db2.gz BGCFMWGZCUCKKJ-UHFFFAOYSA-N 1 3 166.268 0.858 10 0 ACAEHO C/C(=C\C[NH3+])CN1CC(C)C1 575506970 352438192 /nfs/dbraw/zinc/43/81/92/352438192.db2.gz PWXMDBTWYOGWTI-FPYGCLRLSA-N 1 3 154.257 0.843 10 0 ACAEHO C/C(=C/C[NH3+])CN1CC(C)C1 575506968 352438212 /nfs/dbraw/zinc/43/82/12/352438212.db2.gz PWXMDBTWYOGWTI-BAQGIRSFSA-N 1 3 154.257 0.843 10 0 ACAEHO CC1CN(C[C@H]2C[NH2+]C[C@@H]2C)C1 575507201 352439878 /nfs/dbraw/zinc/43/98/78/352439878.db2.gz VSMJTJBJJFPUMC-VHSXEESVSA-N 1 3 168.284 0.794 10 0 ACAEHO CC1CN(C[C@@H]2C[NH2+]C[C@@H]2C)C1 575507200 352439949 /nfs/dbraw/zinc/43/99/49/352439949.db2.gz VSMJTJBJJFPUMC-UWVGGRQHSA-N 1 3 168.284 0.794 10 0 ACAEHO CC1CN(C[C@H]2C[NH2+]C[C@H]2C)C1 575507195 352440303 /nfs/dbraw/zinc/44/03/03/352440303.db2.gz VSMJTJBJJFPUMC-NXEZZACHSA-N 1 3 168.284 0.794 10 0 ACAEHO CN1CCC[C@@]2(C[C@H]([NH3+])CO2)C1 575507385 352440659 /nfs/dbraw/zinc/44/06/59/352440659.db2.gz HGVLTQRJCCQVAT-DTWKUNHWSA-N 1 3 170.256 0.198 10 0 ACAEHO CN1CCC[C@]2(C[C@H]([NH3+])CO2)C1 575507386 352440743 /nfs/dbraw/zinc/44/07/43/352440743.db2.gz HGVLTQRJCCQVAT-IUCAKERBSA-N 1 3 170.256 0.198 10 0 ACAEHO CN1CCC[C@]2(C[C@@H]([NH3+])CO2)C1 575507384 352440839 /nfs/dbraw/zinc/44/08/39/352440839.db2.gz HGVLTQRJCCQVAT-BDAKNGLRSA-N 1 3 170.256 0.198 10 0 ACAEHO CN1CCC[C@@]2(C[C@@H]([NH3+])CO2)C1 575507387 352440904 /nfs/dbraw/zinc/44/09/04/352440904.db2.gz HGVLTQRJCCQVAT-RKDXNWHRSA-N 1 3 170.256 0.198 10 0 ACAEHO CC1CN(C[C@@H]2C[NH2+]C[C@H]2C)C1 575507438 352441660 /nfs/dbraw/zinc/44/16/60/352441660.db2.gz VSMJTJBJJFPUMC-ZJUUUORDSA-N 1 3 168.284 0.794 10 0 ACAEHO CN1CCC(OC2(C)C[NH2+]C2)CC1 575507509 352441680 /nfs/dbraw/zinc/44/16/80/352441680.db2.gz WXBUVLRVFKRDNB-UHFFFAOYSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH+]1CCC(OC2CNC2)CC1 575507647 352442315 /nfs/dbraw/zinc/44/23/15/352442315.db2.gz ZOQSEQMNTWREPB-UHFFFAOYSA-N 1 3 170.256 0.069 10 0 ACAEHO C[NH2+][C@@H]1CO[C@@]2(CCN(C)C2)C1 575508213 352445897 /nfs/dbraw/zinc/44/58/97/352445897.db2.gz PJBVQWUSTVFVLX-IUCAKERBSA-N 1 3 170.256 0.069 10 0 ACAEHO [NH3+][C@H]1C[C@@H](CN2CC3(COC3)C2)C1 575508266 352445937 /nfs/dbraw/zinc/44/59/37/352445937.db2.gz MANSKYVNVRYYHI-DTORHVGOSA-N 1 3 182.267 0.056 10 0 ACAEHO [NH3+][C@H]1C[C@H](CN2CC3(COC3)C2)C1 575508269 352446309 /nfs/dbraw/zinc/44/63/09/352446309.db2.gz MANSKYVNVRYYHI-KYZUINATSA-N 1 3 182.267 0.056 10 0 ACAEHO C[NH2+][C@@H]1CO[C@]2(CCN(C)C2)C1 575508212 352446404 /nfs/dbraw/zinc/44/64/04/352446404.db2.gz PJBVQWUSTVFVLX-DTWKUNHWSA-N 1 3 170.256 0.069 10 0 ACAEHO C[NH2+][C@H]1CO[C@@]2(CCN(C)C2)C1 575508209 352446413 /nfs/dbraw/zinc/44/64/13/352446413.db2.gz PJBVQWUSTVFVLX-BDAKNGLRSA-N 1 3 170.256 0.069 10 0 ACAEHO [NH3+]C1CC(CN2CC3(COC3)C2)C1 575508271 352446419 /nfs/dbraw/zinc/44/64/19/352446419.db2.gz MANSKYVNVRYYHI-UHFFFAOYSA-N 1 3 182.267 0.056 10 0 ACAEHO C[NH2+][C@H]1CO[C@]2(CCN(C)C2)C1 575508215 352446461 /nfs/dbraw/zinc/44/64/61/352446461.db2.gz PJBVQWUSTVFVLX-RKDXNWHRSA-N 1 3 170.256 0.069 10 0 ACAEHO C[NH2+][C@H]1CO[C@@]2(CCCN(C)C2)C1 575509708 352455161 /nfs/dbraw/zinc/45/51/61/352455161.db2.gz ZOQGQDYHSCUICV-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH2+][C@H]1CO[C@]2(CCCN(C)C2)C1 575509705 352455204 /nfs/dbraw/zinc/45/52/04/352455204.db2.gz ZOQGQDYHSCUICV-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH2+][C@@H]1CO[C@]2(CCCN(C)C2)C1 575509707 352455215 /nfs/dbraw/zinc/45/52/15/352455215.db2.gz ZOQGQDYHSCUICV-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO C[NH2+][C@@H]1CO[C@@]2(CCCN(C)C2)C1 575509706 352455270 /nfs/dbraw/zinc/45/52/70/352455270.db2.gz ZOQGQDYHSCUICV-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[NH2+][C@H]1CO[C@@]2(CCN(C)C2)C1 575511041 352463579 /nfs/dbraw/zinc/46/35/79/352463579.db2.gz JPLZFFWWBBZNSL-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[NH2+][C@@H]1CO[C@@]2(CCN(C)C2)C1 575511037 352463738 /nfs/dbraw/zinc/46/37/38/352463738.db2.gz JPLZFFWWBBZNSL-UWVGGRQHSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[NH2+][C@@H]1CO[C@]2(CCN(C)C2)C1 575511039 352463796 /nfs/dbraw/zinc/46/37/96/352463796.db2.gz JPLZFFWWBBZNSL-VHSXEESVSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[NH2+][C@H]1CO[C@]2(CCN(C)C2)C1 575511034 352463935 /nfs/dbraw/zinc/46/39/35/352463935.db2.gz JPLZFFWWBBZNSL-NXEZZACHSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@@H](O)C2)CC[NH2+]1 575511145 352464299 /nfs/dbraw/zinc/46/42/99/352464299.db2.gz BKXLJJQAAAPPFL-OPRDCNLKSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)C2)CCN1 575511145 352464301 /nfs/dbraw/zinc/46/43/01/352464301.db2.gz BKXLJJQAAAPPFL-OPRDCNLKSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)C2)CCN1 575511145 352464305 /nfs/dbraw/zinc/46/43/05/352464305.db2.gz BKXLJJQAAAPPFL-OPRDCNLKSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H](N2CC[C@H](O)C2)CC[NH2+]1 575511143 352464349 /nfs/dbraw/zinc/46/43/49/352464349.db2.gz BKXLJJQAAAPPFL-BBBLOLIVSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](O)C2)CCN1 575511143 352464352 /nfs/dbraw/zinc/46/43/52/352464352.db2.gz BKXLJJQAAAPPFL-BBBLOLIVSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](O)C2)CCN1 575511143 352464354 /nfs/dbraw/zinc/46/43/54/352464354.db2.gz BKXLJJQAAAPPFL-BBBLOLIVSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@@H](O)C2)CC[NH2+]1 575511144 352464518 /nfs/dbraw/zinc/46/45/18/352464518.db2.gz BKXLJJQAAAPPFL-KXUCPTDWSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](O)C2)CCN1 575511144 352464521 /nfs/dbraw/zinc/46/45/21/352464521.db2.gz BKXLJJQAAAPPFL-KXUCPTDWSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](O)C2)CCN1 575511144 352464523 /nfs/dbraw/zinc/46/45/23/352464523.db2.gz BKXLJJQAAAPPFL-KXUCPTDWSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H](N2CC[C@H](O)C2)CC[NH2+]1 575511146 352464552 /nfs/dbraw/zinc/46/45/52/352464552.db2.gz BKXLJJQAAAPPFL-UTLUCORTSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](O)C2)CCN1 575511146 352464555 /nfs/dbraw/zinc/46/45/55/352464555.db2.gz BKXLJJQAAAPPFL-UTLUCORTSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@@H]([N@H+]2CC[C@H](O)C2)CCN1 575511146 352464557 /nfs/dbraw/zinc/46/45/57/352464557.db2.gz BKXLJJQAAAPPFL-UTLUCORTSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]C2CC(O)C2)CCN1 575511492 352467015 /nfs/dbraw/zinc/46/70/15/352467015.db2.gz FMDYWYWYOFCELH-LGUIWLBCSA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@H]1C[C@@H](NC2CC(O)C2)CC[NH2+]1 575511491 352466989 /nfs/dbraw/zinc/46/69/89/352466989.db2.gz FMDYWYWYOFCELH-DKEVHCRPSA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@H]1C[C@@H]([NH2+]C2CC(O)C2)CCN1 575511491 352466990 /nfs/dbraw/zinc/46/69/90/352466990.db2.gz FMDYWYWYOFCELH-DKEVHCRPSA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@@H]1C[C@H](NC2CC(O)C2)CC[NH2+]1 575511492 352467014 /nfs/dbraw/zinc/46/70/14/352467014.db2.gz FMDYWYWYOFCELH-LGUIWLBCSA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@H]1C[C@H](NC2CC(O)C2)CC[NH2+]1 575511490 352467065 /nfs/dbraw/zinc/46/70/65/352467065.db2.gz FMDYWYWYOFCELH-AFWXGSBKSA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@@H]1C[C@@H](NC2CC(O)C2)CC[NH2+]1 575511493 352467157 /nfs/dbraw/zinc/46/71/57/352467157.db2.gz FMDYWYWYOFCELH-XHHQTKHESA-N 1 3 184.283 0.240 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]C2CC(O)C2)CCN1 575511493 352467158 /nfs/dbraw/zinc/46/71/58/352467158.db2.gz FMDYWYWYOFCELH-XHHQTKHESA-N 1 3 184.283 0.240 10 0 ACAEHO [NH3+]CC1CC(Nc2ccncc2)C1 575512468 352472278 /nfs/dbraw/zinc/47/22/78/352472278.db2.gz OZTPHRAQDWMJTO-UHFFFAOYSA-N 1 3 177.251 0.653 10 0 ACAEHO NC1(C[NH3+])CCC2(CC1)CC2 575513055 352476085 /nfs/dbraw/zinc/47/60/85/352476085.db2.gz YCEPPGUQVQUSQM-UHFFFAOYSA-N 1 3 154.257 0.997 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)CCN1 575513307 352476992 /nfs/dbraw/zinc/47/69/92/352476992.db2.gz PNQUKMPAABYHRS-BBBLOLIVSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CCN1 575513309 352477020 /nfs/dbraw/zinc/47/70/20/352477020.db2.gz PNQUKMPAABYHRS-OPRDCNLKSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)CCN1 575513310 352477188 /nfs/dbraw/zinc/47/71/88/352477188.db2.gz PNQUKMPAABYHRS-UTLUCORTSA-N 1 3 184.283 0.505 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CCN1 575513308 352477410 /nfs/dbraw/zinc/47/74/10/352477410.db2.gz PNQUKMPAABYHRS-KXUCPTDWSA-N 1 3 184.283 0.505 10 0 ACAEHO CN(C)C[C@H]1C[NH2+]CC12CCC2 575513486 352477929 /nfs/dbraw/zinc/47/79/29/352477929.db2.gz BOGJSCVIAWFRNP-SECBINFHSA-N 1 3 168.284 0.938 10 0 ACAEHO CN(C)C[C@@H]1C[NH2+]CC12CCC2 575513487 352477985 /nfs/dbraw/zinc/47/79/85/352477985.db2.gz BOGJSCVIAWFRNP-VIFPVBQESA-N 1 3 168.284 0.938 10 0 ACAEHO CN1CCC(N2CC[C@@H]2C[NH3+])CC1 575513682 352479447 /nfs/dbraw/zinc/47/94/47/352479447.db2.gz FKEXTFXNPOJVSS-SNVBAGLBSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CCC(N2CC[C@H]2C[NH3+])CC1 575513679 352480087 /nfs/dbraw/zinc/48/00/87/352480087.db2.gz FKEXTFXNPOJVSS-JTQLQIEISA-N 1 3 183.299 0.114 10 0 ACAEHO CCN1C[C@H](C)C([NH3+])[C@@H](C)C1 575525562 352536350 /nfs/dbraw/zinc/53/63/50/352536350.db2.gz LFGFSTZQHFMRKE-YUMQZZPRSA-N 1 3 156.273 0.921 10 0 ACAEHO CN1CCC[C@H](N2CC[C@H]2C[NH3+])C1 575514362 352483383 /nfs/dbraw/zinc/48/33/83/352483383.db2.gz JPSNCFMKEZBHCK-UWVGGRQHSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CCC[C@H](N2CC[C@@H]2C[NH3+])C1 575514364 352483582 /nfs/dbraw/zinc/48/35/82/352483582.db2.gz JPSNCFMKEZBHCK-ZJUUUORDSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CCC[C@@H](N2CC[C@H]2C[NH3+])C1 575514363 352483591 /nfs/dbraw/zinc/48/35/91/352483591.db2.gz JPSNCFMKEZBHCK-VHSXEESVSA-N 1 3 183.299 0.114 10 0 ACAEHO CN1CCC[C@@H](N2CC[C@@H]2C[NH3+])C1 575514361 352483751 /nfs/dbraw/zinc/48/37/51/352483751.db2.gz JPSNCFMKEZBHCK-NXEZZACHSA-N 1 3 183.299 0.114 10 0 ACAEHO CC1(C[N@@H+]2CC[C@@H]2CN)CC1 575514742 352485176 /nfs/dbraw/zinc/48/51/76/352485176.db2.gz MKNIFMGLMLMGTK-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(C[N@H+]2CC[C@@H]2CN)CC1 575514742 352485177 /nfs/dbraw/zinc/48/51/77/352485177.db2.gz MKNIFMGLMLMGTK-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(C[N@@H+]2CC[C@H]2CN)CC1 575514743 352485228 /nfs/dbraw/zinc/48/52/28/352485228.db2.gz MKNIFMGLMLMGTK-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(C[N@H+]2CC[C@H]2CN)CC1 575514743 352485230 /nfs/dbraw/zinc/48/52/30/352485230.db2.gz MKNIFMGLMLMGTK-QMMMGPOBSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@H]1CN 575516122 352492891 /nfs/dbraw/zinc/49/28/91/352492891.db2.gz XLDPFWLJDBQWEA-HRDYMLBCSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@@H]1CN 575516121 352492714 /nfs/dbraw/zinc/49/27/14/352492714.db2.gz XLDPFWLJDBQWEA-HLTSFMKQSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@H]1CN 575516124 352492647 /nfs/dbraw/zinc/49/26/47/352492647.db2.gz XLDPFWLJDBQWEA-VGMNWLOBSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@@H]1[N@H+]1CC[C@H]1CN 575516124 352492648 /nfs/dbraw/zinc/49/26/48/352492648.db2.gz XLDPFWLJDBQWEA-VGMNWLOBSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@@H]1[N@@H+]1CC[C@@H]1CN 575516121 352492712 /nfs/dbraw/zinc/49/27/12/352492712.db2.gz XLDPFWLJDBQWEA-HLTSFMKQSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@H]1[N@@H+]1CC[C@@H]1CN 575516123 352492752 /nfs/dbraw/zinc/49/27/52/352492752.db2.gz XLDPFWLJDBQWEA-IWSPIJDZSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@H]1[N@H+]1CC[C@@H]1CN 575516123 352492755 /nfs/dbraw/zinc/49/27/55/352492755.db2.gz XLDPFWLJDBQWEA-IWSPIJDZSA-N 1 3 186.324 0.771 10 0 ACAEHO C[C@@H]1CSC[C@H]1[N@H+]1CC[C@H]1CN 575516122 352492893 /nfs/dbraw/zinc/49/28/93/352492893.db2.gz XLDPFWLJDBQWEA-HRDYMLBCSA-N 1 3 186.324 0.771 10 0 ACAEHO CC1CN(CCC(=[NH2+])NO)C1 575516243 352492986 /nfs/dbraw/zinc/49/29/86/352492986.db2.gz YNPJOCQQBOQPDT-UHFFFAOYSA-N 1 3 157.217 0.284 10 0 ACAEHO CNCC1([NH3+])CC2(CCC2)C1 575516701 352494160 /nfs/dbraw/zinc/49/41/60/352494160.db2.gz CHEBJAOUJCGLAJ-UHFFFAOYSA-N 1 3 154.257 0.867 10 0 ACAEHO CN1CC[C@](C)(C(N)=[NH2+])C1 575516929 352494633 /nfs/dbraw/zinc/49/46/33/352494633.db2.gz FQNHKYWMMCDOMX-ZETCQYMHSA-N 1 3 141.218 0.264 10 0 ACAEHO CN1CC[C@@](C)(C(N)=[NH2+])C1 575516924 352494821 /nfs/dbraw/zinc/49/48/21/352494821.db2.gz FQNHKYWMMCDOMX-SSDOTTSWSA-N 1 3 141.218 0.264 10 0 ACAEHO NC1(C[NH3+])CC2(CCC2)C1 575516994 352495686 /nfs/dbraw/zinc/49/56/86/352495686.db2.gz HECJXXZOSMLNDM-UHFFFAOYSA-N 1 3 140.230 0.607 10 0 ACAEHO CCN1CC[C@](C)(C(N)=[NH2+])C1 575517464 352497325 /nfs/dbraw/zinc/49/73/25/352497325.db2.gz NQCGYDWILOUGHW-QMMMGPOBSA-N 1 3 155.245 0.654 10 0 ACAEHO CCN1CC[C@@](C)(C(N)=[NH2+])C1 575517462 352497565 /nfs/dbraw/zinc/49/75/65/352497565.db2.gz NQCGYDWILOUGHW-MRVPVSSYSA-N 1 3 155.245 0.654 10 0 ACAEHO N[C@@]1(C[NH3+])CCCSCC1 575518343 352501355 /nfs/dbraw/zinc/50/13/55/352501355.db2.gz NAZKSEKLQLQAOF-ZETCQYMHSA-N 1 3 160.286 0.560 10 0 ACAEHO N[C@]1(C[NH3+])CCCSCC1 575518342 352501643 /nfs/dbraw/zinc/50/16/43/352501643.db2.gz NAZKSEKLQLQAOF-SSDOTTSWSA-N 1 3 160.286 0.560 10 0 ACAEHO C[C@@H]1COCCN1CC1CC([NH3+])C1 575520609 352513143 /nfs/dbraw/zinc/51/31/43/352513143.db2.gz DDZTYIKXXUJJGY-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1COCCN1CC1CC([NH3+])C1 575520608 352513212 /nfs/dbraw/zinc/51/32/12/352513212.db2.gz DDZTYIKXXUJJGY-IDKOKCKLSA-N 1 3 184.283 0.444 10 0 ACAEHO NC1(C[NH3+])CCC(F)(F)CC1 575520903 352514267 /nfs/dbraw/zinc/51/42/67/352514267.db2.gz VCVJODSEYMCKLS-UHFFFAOYSA-N 1 3 164.199 0.852 10 0 ACAEHO CC1CN([C@H]2CC[C@H]2C[NH3+])C1 575521751 352518496 /nfs/dbraw/zinc/51/84/96/352518496.db2.gz IUQAOZWYYJVJNN-IUCAKERBSA-N 1 3 154.257 0.675 10 0 ACAEHO CC1CN([C@H]2CC[C@@H]2C[NH3+])C1 575521749 352518597 /nfs/dbraw/zinc/51/85/97/352518597.db2.gz IUQAOZWYYJVJNN-BDAKNGLRSA-N 1 3 154.257 0.675 10 0 ACAEHO CC1CN([C@@H]2CC[C@@H]2C[NH3+])C1 575521752 352518672 /nfs/dbraw/zinc/51/86/72/352518672.db2.gz IUQAOZWYYJVJNN-RKDXNWHRSA-N 1 3 154.257 0.675 10 0 ACAEHO CC1CN([C@@H]2CC[C@H]2C[NH3+])C1 575521750 352518873 /nfs/dbraw/zinc/51/88/73/352518873.db2.gz IUQAOZWYYJVJNN-DTWKUNHWSA-N 1 3 154.257 0.675 10 0 ACAEHO CC1CN([C@@H](C)[C@H](C)C[NH3+])C1 575522155 352520749 /nfs/dbraw/zinc/52/07/49/352520749.db2.gz YTWLPDVLQTVLOG-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1C[NH+]([C@@H](C)[C@H](C)CN)C1 575522155 352520750 /nfs/dbraw/zinc/52/07/50/352520750.db2.gz YTWLPDVLQTVLOG-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1CN([C@@H](C)[C@@H](C)C[NH3+])C1 575522157 352521236 /nfs/dbraw/zinc/52/12/36/352521236.db2.gz YTWLPDVLQTVLOG-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1C[NH+]([C@@H](C)[C@@H](C)CN)C1 575522157 352521240 /nfs/dbraw/zinc/52/12/40/352521240.db2.gz YTWLPDVLQTVLOG-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO CCN1CC[C@@H](C(N)=[NH2+])C1 575522346 352521376 /nfs/dbraw/zinc/52/13/76/352521376.db2.gz AQDJTZQWDMEEAF-ZCFIWIBFSA-N 1 3 141.218 0.264 10 0 ACAEHO CC1CN([C@H](C)[C@H](C)C[NH3+])C1 575522158 352521412 /nfs/dbraw/zinc/52/14/12/352521412.db2.gz YTWLPDVLQTVLOG-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC1C[NH+]([C@H](C)[C@H](C)CN)C1 575522158 352521413 /nfs/dbraw/zinc/52/14/13/352521413.db2.gz YTWLPDVLQTVLOG-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO CCN1CC[C@H](C(N)=[NH2+])C1 575522345 352521418 /nfs/dbraw/zinc/52/14/18/352521418.db2.gz AQDJTZQWDMEEAF-LURJTMIESA-N 1 3 141.218 0.264 10 0 ACAEHO C1=CC[N@H+](C[C@@H]2CNCCS2)CC1 575522588 352521693 /nfs/dbraw/zinc/52/16/93/352521693.db2.gz GLFOGBFJTIVCMP-JTQLQIEISA-N 1 3 198.335 0.953 10 0 ACAEHO C1=CC[N@@H+](C[C@@H]2CNCCS2)CC1 575522588 352521697 /nfs/dbraw/zinc/52/16/97/352521697.db2.gz GLFOGBFJTIVCMP-JTQLQIEISA-N 1 3 198.335 0.953 10 0 ACAEHO C1=CC[N@H+](C[C@H]2CNCCS2)CC1 575522589 352521754 /nfs/dbraw/zinc/52/17/54/352521754.db2.gz GLFOGBFJTIVCMP-SNVBAGLBSA-N 1 3 198.335 0.953 10 0 ACAEHO C1=CC[N@@H+](C[C@H]2CNCCS2)CC1 575522589 352521759 /nfs/dbraw/zinc/52/17/59/352521759.db2.gz GLFOGBFJTIVCMP-SNVBAGLBSA-N 1 3 198.335 0.953 10 0 ACAEHO C1C[NH+](C[C@H]2CNCCS2)C1 575522414 352522083 /nfs/dbraw/zinc/52/20/83/352522083.db2.gz CWNSREUROGDDFE-MRVPVSSYSA-N 1 3 172.297 0.397 10 0 ACAEHO C1C[NH+](C[C@@H]2CNCCS2)C1 575522415 352522155 /nfs/dbraw/zinc/52/21/55/352522155.db2.gz CWNSREUROGDDFE-QMMMGPOBSA-N 1 3 172.297 0.397 10 0 ACAEHO C1CS[C@@H](CNC2CC2)C[NH2+]1 575522637 352522468 /nfs/dbraw/zinc/52/24/68/352522468.db2.gz HTNPRNIUSQOGDE-MRVPVSSYSA-N 1 3 172.297 0.443 10 0 ACAEHO C1CS[C@H](CNC2CC2)C[NH2+]1 575522641 352522753 /nfs/dbraw/zinc/52/27/53/352522753.db2.gz HTNPRNIUSQOGDE-QMMMGPOBSA-N 1 3 172.297 0.443 10 0 ACAEHO CCNC(=[NH2+])[C@@H]1CCN(C)C1 575522602 352522897 /nfs/dbraw/zinc/52/28/97/352522897.db2.gz AFXWPIABQJEDGW-SSDOTTSWSA-N 1 3 155.245 0.525 10 0 ACAEHO CCNC(=[NH2+])[C@H]1CCN(C)C1 575522604 352523034 /nfs/dbraw/zinc/52/30/34/352523034.db2.gz AFXWPIABQJEDGW-ZETCQYMHSA-N 1 3 155.245 0.525 10 0 ACAEHO CCCN1CC[C@@H](C(N)=[NH2+])C1 575523266 352525629 /nfs/dbraw/zinc/52/56/29/352525629.db2.gz PLNMYOAEIKJUPA-SSDOTTSWSA-N 1 3 155.245 0.654 10 0 ACAEHO CCCN1CC[C@H](C(N)=[NH2+])C1 575523268 352525693 /nfs/dbraw/zinc/52/56/93/352525693.db2.gz PLNMYOAEIKJUPA-ZETCQYMHSA-N 1 3 155.245 0.654 10 0 ACAEHO CC(C)NC(=[NH2+])[C@@H]1CCN(C)C1 575524043 352528231 /nfs/dbraw/zinc/52/82/31/352528231.db2.gz PZCMNIZPOWSYAE-MRVPVSSYSA-N 1 3 169.272 0.913 10 0 ACAEHO C1NCC1C[N@H+]1C[C@H]2CC[C@H]2C1 575524158 352528795 /nfs/dbraw/zinc/52/87/95/352528795.db2.gz BBROLLJQJRVCQB-AOOOYVTPSA-N 1 3 166.268 0.548 10 0 ACAEHO C1NCC1C[N@@H+]1C[C@H]2CC[C@H]2C1 575524158 352528797 /nfs/dbraw/zinc/52/87/97/352528797.db2.gz BBROLLJQJRVCQB-AOOOYVTPSA-N 1 3 166.268 0.548 10 0 ACAEHO C1[NH2+]CC1CN1C[C@H]2CC[C@H]2C1 575524158 352528799 /nfs/dbraw/zinc/52/87/99/352528799.db2.gz BBROLLJQJRVCQB-AOOOYVTPSA-N 1 3 166.268 0.548 10 0 ACAEHO C1NCC1C[NH+]1C[C@H]2CC[C@@H]2C1 575524161 352528940 /nfs/dbraw/zinc/52/89/40/352528940.db2.gz BBROLLJQJRVCQB-NXEZZACHSA-N 1 3 166.268 0.548 10 0 ACAEHO C1[NH2+]CC1CN1C[C@H]2CC[C@@H]2C1 575524161 352528943 /nfs/dbraw/zinc/52/89/43/352528943.db2.gz BBROLLJQJRVCQB-NXEZZACHSA-N 1 3 166.268 0.548 10 0 ACAEHO C1NCC1C[NH+]1C[C@@H]2CC[C@H]2C1 575524162 352529066 /nfs/dbraw/zinc/52/90/66/352529066.db2.gz BBROLLJQJRVCQB-UWVGGRQHSA-N 1 3 166.268 0.548 10 0 ACAEHO C1[NH2+]CC1CN1C[C@@H]2CC[C@H]2C1 575524162 352529069 /nfs/dbraw/zinc/52/90/69/352529069.db2.gz BBROLLJQJRVCQB-UWVGGRQHSA-N 1 3 166.268 0.548 10 0 ACAEHO C[C@@H]1CN([C@H](C)CO)C[C@@H](C)C1[NH3+] 575524573 352530203 /nfs/dbraw/zinc/53/02/03/352530203.db2.gz FAOVYYVAVMLLMZ-IWSPIJDZSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@@H](CO)N1C[C@@H](C)C([NH3+])[C@H](C)C1 575524572 352530224 /nfs/dbraw/zinc/53/02/24/352530224.db2.gz FAOVYYVAVMLLMZ-HLTSFMKQSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@H]1CN([C@@H](C)CO)C[C@@H](C)[C@@H]1[NH3+] 575524574 352530249 /nfs/dbraw/zinc/53/02/49/352530249.db2.gz FAOVYYVAVMLLMZ-QCLAVDOMSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@H]1CN([C@H](C)CO)C[C@@H](C)[C@@H]1[NH3+] 575524575 352530652 /nfs/dbraw/zinc/53/06/52/352530652.db2.gz FAOVYYVAVMLLMZ-RGOKHQFPSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@@H]2CC[C@H]2C1 575524806 352531654 /nfs/dbraw/zinc/53/16/54/352531654.db2.gz FVHRDHRRPROWDM-CIUDSAMLSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@H]2CC[C@H]2C1 575524808 352531688 /nfs/dbraw/zinc/53/16/88/352531688.db2.gz FVHRDHRRPROWDM-HLTSFMKQSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@H]2CC[C@H]2C1 575524811 352531766 /nfs/dbraw/zinc/53/17/66/352531766.db2.gz FVHRDHRRPROWDM-XHNCKOQMSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]([NH3+])CN1C[C@H]2CC[C@@H]2C1 575524807 352531795 /nfs/dbraw/zinc/53/17/95/352531795.db2.gz FVHRDHRRPROWDM-DJLDLDEBSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@@H]2CC[C@H]2C1 575524810 352531998 /nfs/dbraw/zinc/53/19/98/352531998.db2.gz FVHRDHRRPROWDM-VGMNWLOBSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H]2C1 575524809 352532374 /nfs/dbraw/zinc/53/23/74/352532374.db2.gz FVHRDHRRPROWDM-IWSPIJDZSA-N 1 3 154.257 0.675 10 0 ACAEHO NCCC[N@H+]1C[C@H]2CC[C@H]2C1 575525377 352534257 /nfs/dbraw/zinc/53/42/57/352534257.db2.gz JPFNFRJUVMYQLL-DTORHVGOSA-N 1 3 154.257 0.677 10 0 ACAEHO NCCC[N@@H+]1C[C@H]2CC[C@H]2C1 575525377 352534259 /nfs/dbraw/zinc/53/42/59/352534259.db2.gz JPFNFRJUVMYQLL-DTORHVGOSA-N 1 3 154.257 0.677 10 0 ACAEHO NCCC[NH+]1C[C@H]2CC[C@@H]2C1 575525379 352534566 /nfs/dbraw/zinc/53/45/66/352534566.db2.gz JPFNFRJUVMYQLL-RKDXNWHRSA-N 1 3 154.257 0.677 10 0 ACAEHO NCCC[NH+]1C[C@@H]2CC[C@H]2C1 575525378 352534934 /nfs/dbraw/zinc/53/49/34/352534934.db2.gz JPFNFRJUVMYQLL-IUCAKERBSA-N 1 3 154.257 0.677 10 0 ACAEHO CCN1C[C@@H](C)C([NH3+])[C@H](C)C1 575525561 352536229 /nfs/dbraw/zinc/53/62/29/352536229.db2.gz LFGFSTZQHFMRKE-HTQZYQBOSA-N 1 3 156.273 0.921 10 0 ACAEHO CCN1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575525560 352536509 /nfs/dbraw/zinc/53/65/09/352536509.db2.gz LFGFSTZQHFMRKE-BRPSZJMVSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@H](O)CN1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575525883 352536860 /nfs/dbraw/zinc/53/68/60/352536860.db2.gz OJRMQWLCSIWUFQ-QCLAVDOMSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@H](O)CN1C[C@@H](C)C([NH3+])[C@H](C)C1 575525882 352536973 /nfs/dbraw/zinc/53/69/73/352536973.db2.gz OJRMQWLCSIWUFQ-HLTSFMKQSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@H]1CN(C[C@@H](C)O)C[C@@H](C)[C@@H]1[NH3+] 575525884 352537047 /nfs/dbraw/zinc/53/70/47/352537047.db2.gz OJRMQWLCSIWUFQ-RGOKHQFPSA-N 1 3 186.299 0.282 10 0 ACAEHO C[C@H](O)CN1C[C@H](C)C([NH3+])[C@@H](C)C1 575525881 352537390 /nfs/dbraw/zinc/53/73/90/352537390.db2.gz OJRMQWLCSIWUFQ-CIUDSAMLSA-N 1 3 186.299 0.282 10 0 ACAEHO C1C[C@@H]([N@@H+]2C[C@H]3CC[C@H]3C2)CN1 575526366 352539221 /nfs/dbraw/zinc/53/92/21/352539221.db2.gz UBKVYWRHDYOQQT-KXUCPTDWSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H](N2C[C@H]3CC[C@H]3C2)C[NH2+]1 575526366 352539218 /nfs/dbraw/zinc/53/92/18/352539218.db2.gz UBKVYWRHDYOQQT-KXUCPTDWSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H]([N@H+]2C[C@H]3CC[C@H]3C2)CN1 575526366 352539223 /nfs/dbraw/zinc/53/92/23/352539223.db2.gz UBKVYWRHDYOQQT-KXUCPTDWSA-N 1 3 166.268 0.690 10 0 ACAEHO CC1(C[NH+]2C[C@@H]3CC[C@H]3C2)CNC1 575526251 352539255 /nfs/dbraw/zinc/53/92/55/352539255.db2.gz RKBVZBYRJRSHNF-UWVGGRQHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(CN2C[C@@H]3CC[C@H]3C2)C[NH2+]C1 575526251 352539258 /nfs/dbraw/zinc/53/92/58/352539258.db2.gz RKBVZBYRJRSHNF-UWVGGRQHSA-N 1 3 180.295 0.938 10 0 ACAEHO NC1CC([N@H+]2C[C@H]3CC[C@H]3C2)C1 575526322 352539266 /nfs/dbraw/zinc/53/92/66/352539266.db2.gz SVIITYOJDAIHEZ-BQKDNTBBSA-N 1 3 166.268 0.818 10 0 ACAEHO NC1CC([N@@H+]2C[C@H]3CC[C@H]3C2)C1 575526322 352539268 /nfs/dbraw/zinc/53/92/68/352539268.db2.gz SVIITYOJDAIHEZ-BQKDNTBBSA-N 1 3 166.268 0.818 10 0 ACAEHO CC1(CN2C[C@H]3CC[C@@H]3C2)C[NH2+]C1 575526250 352539343 /nfs/dbraw/zinc/53/93/43/352539343.db2.gz RKBVZBYRJRSHNF-NXEZZACHSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C[NH+]2C[C@H]3CC[C@@H]3C2)CNC1 575526250 352539340 /nfs/dbraw/zinc/53/93/40/352539340.db2.gz RKBVZBYRJRSHNF-NXEZZACHSA-N 1 3 180.295 0.938 10 0 ACAEHO C1C[C@H](N2C[C@H]3CC[C@@H]3C2)C[NH2+]1 575526364 352539432 /nfs/dbraw/zinc/53/94/32/352539432.db2.gz UBKVYWRHDYOQQT-BBBLOLIVSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]([NH+]2C[C@H]3CC[C@@H]3C2)CN1 575526364 352539435 /nfs/dbraw/zinc/53/94/35/352539435.db2.gz UBKVYWRHDYOQQT-BBBLOLIVSA-N 1 3 166.268 0.690 10 0 ACAEHO CC1(C[N@H+]2C[C@H]3CC[C@H]3C2)CNC1 575526249 352539446 /nfs/dbraw/zinc/53/94/46/352539446.db2.gz RKBVZBYRJRSHNF-AOOOYVTPSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(C[N@@H+]2C[C@H]3CC[C@H]3C2)CNC1 575526249 352539450 /nfs/dbraw/zinc/53/94/50/352539450.db2.gz RKBVZBYRJRSHNF-AOOOYVTPSA-N 1 3 180.295 0.938 10 0 ACAEHO CC1(CN2C[C@H]3CC[C@H]3C2)C[NH2+]C1 575526249 352539453 /nfs/dbraw/zinc/53/94/53/352539453.db2.gz RKBVZBYRJRSHNF-AOOOYVTPSA-N 1 3 180.295 0.938 10 0 ACAEHO NC1CC([NH+]2C[C@@H]3CC[C@H]3C2)C1 575526324 352539537 /nfs/dbraw/zinc/53/95/37/352539537.db2.gz SVIITYOJDAIHEZ-DKEVHCRPSA-N 1 3 166.268 0.818 10 0 ACAEHO NC1CC([NH+]2C[C@H]3CC[C@@H]3C2)C1 575526326 352539576 /nfs/dbraw/zinc/53/95/76/352539576.db2.gz SVIITYOJDAIHEZ-LGUIWLBCSA-N 1 3 166.268 0.818 10 0 ACAEHO C1C[C@H](N2C[C@H]3CC[C@H]3C2)C[NH2+]1 575526363 352539591 /nfs/dbraw/zinc/53/95/91/352539591.db2.gz UBKVYWRHDYOQQT-AEJSXWLSSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]([N@H+]2C[C@H]3CC[C@H]3C2)CN1 575526363 352539595 /nfs/dbraw/zinc/53/95/95/352539595.db2.gz UBKVYWRHDYOQQT-AEJSXWLSSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H](N2C[C@@H]3CC[C@H]3C2)C[NH2+]1 575526365 352539646 /nfs/dbraw/zinc/53/96/46/352539646.db2.gz UBKVYWRHDYOQQT-GUBZILKMSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]([NH+]2C[C@@H]3CC[C@H]3C2)CN1 575526365 352539650 /nfs/dbraw/zinc/53/96/50/352539650.db2.gz UBKVYWRHDYOQQT-GUBZILKMSA-N 1 3 166.268 0.690 10 0 ACAEHO [NH3+][C@@H]1CCN(C2(C3CC3)CC2)C1 575526733 352540721 /nfs/dbraw/zinc/54/07/21/352540721.db2.gz XFWYIEAPBICTDL-SECBINFHSA-N 1 3 166.268 0.962 10 0 ACAEHO [NH3+][C@H]1CCN(C2(C3CC3)CC2)C1 575526734 352541092 /nfs/dbraw/zinc/54/10/92/352541092.db2.gz XFWYIEAPBICTDL-VIFPVBQESA-N 1 3 166.268 0.962 10 0 ACAEHO C1CC1NC[C@]12C[NH2+]C[C@H]1C2 575527219 352542890 /nfs/dbraw/zinc/54/28/90/352542890.db2.gz DZZWGMQGPKPYNQ-APPZFPTMSA-N 1 3 152.241 0.348 10 0 ACAEHO C1CC1NC[C@@]12C[NH2+]C[C@@H]1C2 575527221 352542917 /nfs/dbraw/zinc/54/29/17/352542917.db2.gz DZZWGMQGPKPYNQ-IONNQARKSA-N 1 3 152.241 0.348 10 0 ACAEHO CCNC[C@]12C[NH2+]C[C@H]1C2 575527529 352543871 /nfs/dbraw/zinc/54/38/71/352543871.db2.gz JCDIFQUSDONPNT-HTQZYQBOSA-N 1 3 140.230 0.205 10 0 ACAEHO CCNC[C@@]12C[NH2+]C[C@@H]1C2 575527536 352543912 /nfs/dbraw/zinc/54/39/12/352543912.db2.gz JCDIFQUSDONPNT-YUMQZZPRSA-N 1 3 140.230 0.205 10 0 ACAEHO C1CCN(C[C@@]23C[NH2+]C[C@@H]2C3)C1 575527722 352544578 /nfs/dbraw/zinc/54/45/78/352544578.db2.gz AISZRFBHHAJGCK-VHSXEESVSA-N 1 3 166.268 0.692 10 0 ACAEHO C1CCN(C[C@]23C[NH2+]C[C@H]2C3)C1 575527724 352544713 /nfs/dbraw/zinc/54/47/13/352544713.db2.gz AISZRFBHHAJGCK-ZJUUUORDSA-N 1 3 166.268 0.692 10 0 ACAEHO C1CS[C@@H](CN2C[C@H]3C[C@H]3C2)C[NH2+]1 575528112 352546185 /nfs/dbraw/zinc/54/61/85/352546185.db2.gz GBRBJPXOEHLLRA-KXUCPTDWSA-N 1 3 198.335 0.643 10 0 ACAEHO C1CS[C@H](CN2C[C@H]3C[C@H]3C2)C[NH2+]1 575528109 352546625 /nfs/dbraw/zinc/54/66/25/352546625.db2.gz GBRBJPXOEHLLRA-AEJSXWLSSA-N 1 3 198.335 0.643 10 0 ACAEHO C[C@@H]1CCN(C[C@]23C[NH2+]C[C@H]2C3)C1 575528529 352548130 /nfs/dbraw/zinc/54/81/30/352548130.db2.gz KHFWJYWXDUXKIJ-MXWKQRLJSA-N 1 3 180.295 0.938 10 0 ACAEHO C[C@@H]1CCN(C[C@@]23C[NH2+]C[C@@H]2C3)C1 575528530 352548301 /nfs/dbraw/zinc/54/83/01/352548301.db2.gz KHFWJYWXDUXKIJ-OUAUKWLOSA-N 1 3 180.295 0.938 10 0 ACAEHO CN1C[C@H](NC2C[NH2+]C2)CC1(C)C 575528824 352549346 /nfs/dbraw/zinc/54/93/46/352549346.db2.gz POZDFYWGMXNPPJ-MRVPVSSYSA-N 1 3 183.299 0.031 10 0 ACAEHO CN1C[C@@H](NC2C[NH2+]C2)CC1(C)C 575528825 352549494 /nfs/dbraw/zinc/54/94/94/352549494.db2.gz POZDFYWGMXNPPJ-QMMMGPOBSA-N 1 3 183.299 0.031 10 0 ACAEHO CC(C)NC[C@]12C[NH2+]C[C@H]1C2 575529468 352551824 /nfs/dbraw/zinc/55/18/24/352551824.db2.gz YUDJCKWRWWMIDU-BDAKNGLRSA-N 1 3 154.257 0.594 10 0 ACAEHO CC(C)NC[C@@]12C[NH2+]C[C@@H]1C2 575529469 352551780 /nfs/dbraw/zinc/55/17/80/352551780.db2.gz YUDJCKWRWWMIDU-DTWKUNHWSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@](N)(C[NH3+])C[C@@H]1CCCO1 575531346 352560829 /nfs/dbraw/zinc/56/08/29/352560829.db2.gz IJBCXIPBIJIISK-YUMQZZPRSA-N 1 3 158.245 0.232 10 0 ACAEHO C[C@](N)(C[NH3+])C[C@@H]1CCCO1 575531331 352560922 /nfs/dbraw/zinc/56/09/22/352560922.db2.gz IJBCXIPBIJIISK-JGVFFNPUSA-N 1 3 158.245 0.232 10 0 ACAEHO C[C@@](N)(C[NH3+])C[C@H]1CCCO1 575531343 352560934 /nfs/dbraw/zinc/56/09/34/352560934.db2.gz IJBCXIPBIJIISK-SFYZADRCSA-N 1 3 158.245 0.232 10 0 ACAEHO C[C@](N)(C[NH3+])C[C@H]1CCCO1 575531329 352561079 /nfs/dbraw/zinc/56/10/79/352561079.db2.gz IJBCXIPBIJIISK-HTQZYQBOSA-N 1 3 158.245 0.232 10 0 ACAEHO CC1C[NH+](C[C@@]2(O)CCCNC2)C1 575532811 352567997 /nfs/dbraw/zinc/56/79/97/352567997.db2.gz CRANWVYZBKARHW-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO CC1C[NH+](C[C@]2(O)CCCNC2)C1 575532810 352568206 /nfs/dbraw/zinc/56/82/06/352568206.db2.gz CRANWVYZBKARHW-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO CCC1C[NH+](CC2(N)CC2)C1 575532809 352568232 /nfs/dbraw/zinc/56/82/32/352568232.db2.gz COZNDZKCAQKPLD-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO Cn1cncc1N1CCC[C@H]([NH3+])C1 575533097 352569766 /nfs/dbraw/zinc/56/97/66/352569766.db2.gz DEGPEIBWHFGUPP-QMMMGPOBSA-N 1 3 180.255 0.348 10 0 ACAEHO C1[NH2+]C[C@]2(CN3C[C@H]4C[C@H]4C3)C[C@H]12 575533173 352569796 /nfs/dbraw/zinc/56/97/96/352569796.db2.gz GHEOTYWGMPEJTO-YTWAJWBKSA-N 1 3 178.279 0.548 10 0 ACAEHO Cn1cncc1N1CCC[C@@H]([NH3+])C1 575533096 352569866 /nfs/dbraw/zinc/56/98/66/352569866.db2.gz DEGPEIBWHFGUPP-MRVPVSSYSA-N 1 3 180.255 0.348 10 0 ACAEHO C[C@](N)(C[NH3+])C[C@H]1CCOC1 575534166 352573988 /nfs/dbraw/zinc/57/39/88/352573988.db2.gz VICVAZNWBUKSFD-HTQZYQBOSA-N 1 3 158.245 0.089 10 0 ACAEHO C[C@](N)(C[NH3+])C[C@@H]1CCOC1 575534167 352574016 /nfs/dbraw/zinc/57/40/16/352574016.db2.gz VICVAZNWBUKSFD-JGVFFNPUSA-N 1 3 158.245 0.089 10 0 ACAEHO C[C@@](N)(C[NH3+])C[C@H]1CCOC1 575534168 352574030 /nfs/dbraw/zinc/57/40/30/352574030.db2.gz VICVAZNWBUKSFD-SFYZADRCSA-N 1 3 158.245 0.089 10 0 ACAEHO C[C@@](N)(C[NH3+])C[C@@H]1CCOC1 575534170 352574064 /nfs/dbraw/zinc/57/40/64/352574064.db2.gz VICVAZNWBUKSFD-YUMQZZPRSA-N 1 3 158.245 0.089 10 0 ACAEHO Cn1cncc1N1CC[C@H](C[NH3+])C1 575534614 352575158 /nfs/dbraw/zinc/57/51/58/352575158.db2.gz QCVQOUKIFDRJAF-MRVPVSSYSA-N 1 3 180.255 0.205 10 0 ACAEHO Cn1cncc1N1CC[C@@H](C[NH3+])C1 575534615 352575368 /nfs/dbraw/zinc/57/53/68/352575368.db2.gz QCVQOUKIFDRJAF-QMMMGPOBSA-N 1 3 180.255 0.205 10 0 ACAEHO CC1CN(C[C@@]2(C)COC[C@@H]2[NH3+])C1 575535167 352577884 /nfs/dbraw/zinc/57/78/84/352577884.db2.gz WFLZGPNTSNDMCF-UWVGGRQHSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1C[NH+](C[C@]2(C)COC[C@@H]2N)C1 575535168 352577863 /nfs/dbraw/zinc/57/78/63/352577863.db2.gz WFLZGPNTSNDMCF-VHSXEESVSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1CN(C[C@]2(C)COC[C@@H]2[NH3+])C1 575535168 352577867 /nfs/dbraw/zinc/57/78/67/352577867.db2.gz WFLZGPNTSNDMCF-VHSXEESVSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1C[NH+](C[C@@]2(C)COC[C@@H]2N)C1 575535167 352577882 /nfs/dbraw/zinc/57/78/82/352577882.db2.gz WFLZGPNTSNDMCF-UWVGGRQHSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1C[NH+](C[C@]2(C)COC[C@H]2N)C1 575535166 352577983 /nfs/dbraw/zinc/57/79/83/352577983.db2.gz WFLZGPNTSNDMCF-NXEZZACHSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1C[NH+](C[C@@]2(C)COC[C@H]2N)C1 575535170 352578132 /nfs/dbraw/zinc/57/81/32/352578132.db2.gz WFLZGPNTSNDMCF-ZJUUUORDSA-N 1 3 184.283 0.302 10 0 ACAEHO CC1CN(C[C@@]2(C)COC[C@H]2[NH3+])C1 575535170 352578133 /nfs/dbraw/zinc/57/81/33/352578133.db2.gz WFLZGPNTSNDMCF-ZJUUUORDSA-N 1 3 184.283 0.302 10 0 ACAEHO Cn1cncc1NCCC[NH3+] 575535416 352579065 /nfs/dbraw/zinc/57/90/65/352579065.db2.gz YGUPGBJECBFBPE-UHFFFAOYSA-N 1 3 154.217 0.181 10 0 ACAEHO CN[C@@]1(C[NH3+])CC[C@H](C)SC1 575535360 352579144 /nfs/dbraw/zinc/57/91/44/352579144.db2.gz TWXNTAJGUPYUNZ-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO CN[C@]1(C[NH3+])CC[C@H](C)SC1 575535364 352579213 /nfs/dbraw/zinc/57/92/13/352579213.db2.gz TWXNTAJGUPYUNZ-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO CN[C@]1(C[NH3+])CC[C@@H](C)SC1 575535362 352579281 /nfs/dbraw/zinc/57/92/81/352579281.db2.gz TWXNTAJGUPYUNZ-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO CN[C@@]1(C[NH3+])CC[C@@H](C)SC1 575535359 352579291 /nfs/dbraw/zinc/57/92/91/352579291.db2.gz TWXNTAJGUPYUNZ-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1C[NH2+][C@H](CCN)[C@H](C)C1 575535591 352580451 /nfs/dbraw/zinc/58/04/51/352580451.db2.gz SBDQYANMDOVIEE-DJLDLDEBSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1C[NH2+][C@@H](CCN)[C@H](C)C1 575535593 352580479 /nfs/dbraw/zinc/58/04/79/352580479.db2.gz SBDQYANMDOVIEE-YIZRAAEISA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H]1CC[C@@H](NCC[NH3+])CS1 575535723 352580629 /nfs/dbraw/zinc/58/06/29/352580629.db2.gz XYQKYMKFNAGGOV-JGVFFNPUSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1C[NH2+][C@H](CCN)[C@@H](C)C1 575535592 352580729 /nfs/dbraw/zinc/58/07/29/352580729.db2.gz SBDQYANMDOVIEE-XHNCKOQMSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1C[NH2+][C@@H](CCN)[C@@H](C)C1 575535590 352580779 /nfs/dbraw/zinc/58/07/79/352580779.db2.gz SBDQYANMDOVIEE-CIUDSAMLSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1CC[C@H](NCC[NH3+])CS1 575535726 352580816 /nfs/dbraw/zinc/58/08/16/352580816.db2.gz XYQKYMKFNAGGOV-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1CC[C@@H](NCC[NH3+])CS1 575535722 352580825 /nfs/dbraw/zinc/58/08/25/352580825.db2.gz XYQKYMKFNAGGOV-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1CC[C@H](NCC[NH3+])CS1 575535728 352580841 /nfs/dbraw/zinc/58/08/41/352580841.db2.gz XYQKYMKFNAGGOV-YUMQZZPRSA-N 1 3 174.313 0.819 10 0 ACAEHO [NH3+]C[C@@H]1CCCN([C@H]2CC[C@@H]2O)C1 575536623 352585217 /nfs/dbraw/zinc/58/52/17/352585217.db2.gz CPSDASNSRZQABU-GUBZILKMSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C[C@@H]1CCCN([C@@H]2CC[C@@H]2O)C1 575536620 352585367 /nfs/dbraw/zinc/58/53/67/352585367.db2.gz CPSDASNSRZQABU-AEJSXWLSSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C[C@@H]1CCCN([C@@H]2CC[C@H]2O)C1 575536626 352585480 /nfs/dbraw/zinc/58/54/80/352585480.db2.gz CPSDASNSRZQABU-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO [NH3+]C[C@@H]1CCCN([C@H]2CC[C@H]2O)C1 575536627 352585514 /nfs/dbraw/zinc/58/55/14/352585514.db2.gz CPSDASNSRZQABU-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@H]2CC[C@@H]2O)C1 575536706 352586091 /nfs/dbraw/zinc/58/60/91/352586091.db2.gz DKGSGMPMCNBOJD-JXUBOQSCSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1CCN([C@@H]2CC[C@@H]2O)C1 575536705 352586096 /nfs/dbraw/zinc/58/60/96/352586096.db2.gz DKGSGMPMCNBOJD-JLIMGVALSA-N 1 3 184.283 0.179 10 0 ACAEHO C1CCN(C[C@H]2C[NH2+]CCOC2)C1 575536825 352587035 /nfs/dbraw/zinc/58/70/35/352587035.db2.gz WTFZINDCFVUUKJ-SNVBAGLBSA-N 1 3 184.283 0.318 10 0 ACAEHO C1CCN(C[C@@H]2C[NH2+]CCOC2)C1 575536823 352587061 /nfs/dbraw/zinc/58/70/61/352587061.db2.gz WTFZINDCFVUUKJ-JTQLQIEISA-N 1 3 184.283 0.318 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@H]2CC[C@H]2O)C1 575537046 352587465 /nfs/dbraw/zinc/58/74/65/352587465.db2.gz DVGRSEYAVIUGGL-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@H]2CC[C@H]2O)C1 575537046 352587468 /nfs/dbraw/zinc/58/74/68/352587468.db2.gz DVGRSEYAVIUGGL-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@H]2CC[C@H]2O)C1 575537046 352587470 /nfs/dbraw/zinc/58/74/70/352587470.db2.gz DVGRSEYAVIUGGL-IVZWLZJFSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@@H]2CC[C@@H]2O)C1 575537047 352587484 /nfs/dbraw/zinc/58/74/84/352587484.db2.gz DVGRSEYAVIUGGL-KXUCPTDWSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@@H]2CC[C@@H]2O)C1 575537047 352587489 /nfs/dbraw/zinc/58/74/89/352587489.db2.gz DVGRSEYAVIUGGL-KXUCPTDWSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@@H]2CC[C@@H]2O)C1 575537047 352587491 /nfs/dbraw/zinc/58/74/91/352587491.db2.gz DVGRSEYAVIUGGL-KXUCPTDWSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@H]2CC[C@@H]2O)C1 575537048 352587698 /nfs/dbraw/zinc/58/76/98/352587698.db2.gz DVGRSEYAVIUGGL-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@H]2CC[C@@H]2O)C1 575537048 352587699 /nfs/dbraw/zinc/58/76/99/352587699.db2.gz DVGRSEYAVIUGGL-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@H]2CC[C@@H]2O)C1 575537048 352587702 /nfs/dbraw/zinc/58/77/02/352587702.db2.gz DVGRSEYAVIUGGL-LPEHRKFASA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(C[NH3+])CCN([C@@H]2CC[C@H]2O)C1 575537049 352587767 /nfs/dbraw/zinc/58/77/67/352587767.db2.gz DVGRSEYAVIUGGL-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@@H+]([C@@H]2CC[C@H]2O)C1 575537049 352587769 /nfs/dbraw/zinc/58/77/69/352587769.db2.gz DVGRSEYAVIUGGL-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@]1(CN)CC[N@H+]([C@@H]2CC[C@H]2O)C1 575537049 352587771 /nfs/dbraw/zinc/58/77/71/352587771.db2.gz DVGRSEYAVIUGGL-OPRDCNLKSA-N 1 3 184.283 0.180 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@H]1CC[C@@H]1O 575537298 352589402 /nfs/dbraw/zinc/58/94/02/352589402.db2.gz GOFPUDTZKKBQQW-UWVGGRQHSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@H]1CC[C@@H]1O 575537298 352589406 /nfs/dbraw/zinc/58/94/06/352589406.db2.gz GOFPUDTZKKBQQW-UWVGGRQHSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@H]1CC[C@H]1O 575537303 352589502 /nfs/dbraw/zinc/58/95/02/352589502.db2.gz GOFPUDTZKKBQQW-VHSXEESVSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@H]1CC[C@H]1O 575537303 352589506 /nfs/dbraw/zinc/58/95/06/352589506.db2.gz GOFPUDTZKKBQQW-VHSXEESVSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@@H]1CC[C@@H]1O 575537306 352589639 /nfs/dbraw/zinc/58/96/39/352589639.db2.gz GOFPUDTZKKBQQW-ZJUUUORDSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@@H]1CC[C@@H]1O 575537306 352589642 /nfs/dbraw/zinc/58/96/42/352589642.db2.gz GOFPUDTZKKBQQW-ZJUUUORDSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@@H+](C1CCNCC1)[C@@H]1CC[C@H]1O 575537297 352589800 /nfs/dbraw/zinc/58/98/00/352589800.db2.gz GOFPUDTZKKBQQW-NXEZZACHSA-N 1 3 184.283 0.194 10 0 ACAEHO C[N@H+](C1CCNCC1)[C@@H]1CC[C@H]1O 575537297 352589802 /nfs/dbraw/zinc/58/98/02/352589802.db2.gz GOFPUDTZKKBQQW-NXEZZACHSA-N 1 3 184.283 0.194 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@@H]2CC[C@H]2O)C1 575537411 352590042 /nfs/dbraw/zinc/59/00/42/352590042.db2.gz ICNUDZOKNVOFCP-UTINFBMNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@@H]2CC[C@H]2O)C1 575537411 352590043 /nfs/dbraw/zinc/59/00/43/352590043.db2.gz ICNUDZOKNVOFCP-UTINFBMNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@H]2CC[C@@H]2O)C1 575537409 352590245 /nfs/dbraw/zinc/59/02/45/352590245.db2.gz ICNUDZOKNVOFCP-KATARQTJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@H]2CC[C@@H]2O)C1 575537409 352590248 /nfs/dbraw/zinc/59/02/48/352590248.db2.gz ICNUDZOKNVOFCP-KATARQTJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@@H]2CC[C@@H]2O)C1 575537410 352590326 /nfs/dbraw/zinc/59/03/26/352590326.db2.gz ICNUDZOKNVOFCP-RGOKHQFPSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@@H]2CC[C@@H]2O)C1 575537410 352590328 /nfs/dbraw/zinc/59/03/28/352590328.db2.gz ICNUDZOKNVOFCP-RGOKHQFPSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@@H+]([C@H]2CC[C@H]2O)C1 575537412 352590437 /nfs/dbraw/zinc/59/04/37/352590437.db2.gz ICNUDZOKNVOFCP-XFWSIPNHSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](N)C[N@H+]([C@H]2CC[C@H]2O)C1 575537412 352590439 /nfs/dbraw/zinc/59/04/39/352590439.db2.gz ICNUDZOKNVOFCP-XFWSIPNHSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@H]1CC[C@H]1O 575537613 352590813 /nfs/dbraw/zinc/59/08/13/352590813.db2.gz KCHNLZFLKSTBFE-DOLQZWNJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@H]1CC[C@H]1O 575537613 352590814 /nfs/dbraw/zinc/59/08/14/352590814.db2.gz KCHNLZFLKSTBFE-DOLQZWNJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@H]1CC[C@@H]1O 575537614 352590845 /nfs/dbraw/zinc/59/08/45/352590845.db2.gz KCHNLZFLKSTBFE-IMSYWVGJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@H]1CC[C@@H]1O 575537614 352590848 /nfs/dbraw/zinc/59/08/48/352590848.db2.gz KCHNLZFLKSTBFE-IMSYWVGJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@@H]1CC[C@H]1O 575537616 352590888 /nfs/dbraw/zinc/59/08/88/352590888.db2.gz KCHNLZFLKSTBFE-ZYUZMQFOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@@H]1CC[C@H]1O 575537616 352590891 /nfs/dbraw/zinc/59/08/91/352590891.db2.gz KCHNLZFLKSTBFE-ZYUZMQFOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1[C@@H]1CC[C@@H]1O 575537615 352590939 /nfs/dbraw/zinc/59/09/39/352590939.db2.gz KCHNLZFLKSTBFE-KYXWUPHJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1[C@@H]1CC[C@@H]1O 575537615 352590941 /nfs/dbraw/zinc/59/09/41/352590941.db2.gz KCHNLZFLKSTBFE-KYXWUPHJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]([NH3+])CCN1CC[C@@H]2C[C@@H]21 575537926 352592216 /nfs/dbraw/zinc/59/22/16/352592216.db2.gz JDVHVLLNNHGHJJ-YIZRAAEISA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]([NH3+])CCN1CC[C@H]2C[C@H]21 575537925 352592236 /nfs/dbraw/zinc/59/22/36/352592236.db2.gz JDVHVLLNNHGHJJ-XHNCKOQMSA-N 1 3 154.257 0.818 10 0 ACAEHO N[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575538241 352594388 /nfs/dbraw/zinc/59/43/88/352594388.db2.gz LRILYPLFLZLAGB-IMSYWVGJSA-N 1 3 166.268 0.960 10 0 ACAEHO N[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575538241 352594389 /nfs/dbraw/zinc/59/43/89/352594389.db2.gz LRILYPLFLZLAGB-IMSYWVGJSA-N 1 3 166.268 0.960 10 0 ACAEHO N[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1 575538244 352594417 /nfs/dbraw/zinc/59/44/17/352594417.db2.gz LRILYPLFLZLAGB-QCLAVDOMSA-N 1 3 166.268 0.960 10 0 ACAEHO N[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575538244 352594419 /nfs/dbraw/zinc/59/44/19/352594419.db2.gz LRILYPLFLZLAGB-QCLAVDOMSA-N 1 3 166.268 0.960 10 0 ACAEHO CC[C@H](C[NH3+])N1CC[C@H]2C[C@H]21 575538499 352594901 /nfs/dbraw/zinc/59/49/01/352594901.db2.gz NJKKQNKTPYREQQ-DJLDLDEBSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@H](C[NH3+])N1CC[C@@H]2C[C@@H]21 575538500 352595125 /nfs/dbraw/zinc/59/51/25/352595125.db2.gz NJKKQNKTPYREQQ-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@H]2O)CC[C@@H]1[NH3+] 575538752 352596061 /nfs/dbraw/zinc/59/60/61/352596061.db2.gz UNDKCNAUBXAHGM-UTINFBMNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CC[C@H]2C[C@H]21 575538715 352596226 /nfs/dbraw/zinc/59/62/26/352596226.db2.gz PCKZSTQSIMKQSQ-HRDYMLBCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](CCN)[N@H+]1CC[C@H]2C[C@H]21 575538715 352596229 /nfs/dbraw/zinc/59/62/29/352596229.db2.gz PCKZSTQSIMKQSQ-HRDYMLBCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CC[C@@H]2C[C@@H]21 575538714 352596256 /nfs/dbraw/zinc/59/62/56/352596256.db2.gz PCKZSTQSIMKQSQ-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](CCN)[N@H+]1CC[C@@H]2C[C@@H]21 575538714 352596257 /nfs/dbraw/zinc/59/62/57/352596257.db2.gz PCKZSTQSIMKQSQ-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@H]2O)CC[C@H]1[NH3+] 575538754 352596265 /nfs/dbraw/zinc/59/62/65/352596265.db2.gz UNDKCNAUBXAHGM-ZYUZMQFOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@@H]2O)CC[C@H]1[NH3+] 575538748 352596291 /nfs/dbraw/zinc/59/62/91/352596291.db2.gz UNDKCNAUBXAHGM-KYXWUPHJSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@@H]2O)CC[C@@H]1[NH3+] 575538749 352596364 /nfs/dbraw/zinc/59/63/64/352596364.db2.gz UNDKCNAUBXAHGM-RGOKHQFPSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@H]2C[C@H]21 575538809 352596387 /nfs/dbraw/zinc/59/63/87/352596387.db2.gz QJBLPPAIZCRYQV-HRDYMLBCSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@H]2C[C@H]21 575538809 352596389 /nfs/dbraw/zinc/59/63/89/352596389.db2.gz QJBLPPAIZCRYQV-HRDYMLBCSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H](CN)C[N@@H+]1CC[C@@H]2C[C@@H]21 575538808 352596405 /nfs/dbraw/zinc/59/64/05/352596405.db2.gz QJBLPPAIZCRYQV-HLTSFMKQSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H](CN)C[N@H+]1CC[C@@H]2C[C@@H]21 575538808 352596406 /nfs/dbraw/zinc/59/64/06/352596406.db2.gz QJBLPPAIZCRYQV-HLTSFMKQSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CC[C@H]1O 575539056 352597486 /nfs/dbraw/zinc/59/74/86/352597486.db2.gz VTJIPHPNHDKYAX-ZYUZMQFOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CC[C@@H]1O 575539054 352597495 /nfs/dbraw/zinc/59/74/95/352597495.db2.gz VTJIPHPNHDKYAX-IMSYWVGJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]([C@@H]2CC[C@H]2O)C1 575539059 352597591 /nfs/dbraw/zinc/59/75/91/352597591.db2.gz VTJNHSRZPXKCMQ-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[N@H+]([C@@H]2CC[C@H]2O)C1 575539059 352597596 /nfs/dbraw/zinc/59/75/96/352597596.db2.gz VTJNHSRZPXKCMQ-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]([C@H]2CC[C@H]2O)C1 575539058 352597666 /nfs/dbraw/zinc/59/76/66/352597666.db2.gz VTJNHSRZPXKCMQ-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[N@H+]([C@H]2CC[C@H]2O)C1 575539058 352597669 /nfs/dbraw/zinc/59/76/69/352597669.db2.gz VTJNHSRZPXKCMQ-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@@H]1CC[C@@H]1O 575539055 352597682 /nfs/dbraw/zinc/59/76/82/352597682.db2.gz VTJIPHPNHDKYAX-KYXWUPHJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]([C@@H]2CC[C@@H]2O)C1 575539057 352597756 /nfs/dbraw/zinc/59/77/56/352597756.db2.gz VTJNHSRZPXKCMQ-BBBLOLIVSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[N@H+]([C@@H]2CC[C@@H]2O)C1 575539057 352597761 /nfs/dbraw/zinc/59/77/61/352597761.db2.gz VTJNHSRZPXKCMQ-BBBLOLIVSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[N@@H+]([C@H]2CC[C@@H]2O)C1 575539060 352597910 /nfs/dbraw/zinc/59/79/10/352597910.db2.gz VTJNHSRZPXKCMQ-UTLUCORTSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CNCC[N@H+]([C@H]2CC[C@@H]2O)C1 575539060 352597911 /nfs/dbraw/zinc/59/79/11/352597911.db2.gz VTJNHSRZPXKCMQ-UTLUCORTSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CCN1[C@H]1CC[C@H]1O 575539053 352597947 /nfs/dbraw/zinc/59/79/47/352597947.db2.gz VTJIPHPNHDKYAX-DOLQZWNJSA-N 1 3 184.283 0.321 10 0 ACAEHO CC[C@H](N)C[N@@H+]1CC[C@@H]2C[C@@H]21 575539403 352598964 /nfs/dbraw/zinc/59/89/64/352598964.db2.gz VKYKSCZUCSXANP-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@H](N)C[N@H+]1CC[C@@H]2C[C@@H]21 575539403 352598966 /nfs/dbraw/zinc/59/89/66/352598966.db2.gz VKYKSCZUCSXANP-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@H](N)C[N@@H+]1CC[C@H]2C[C@H]21 575539404 352599095 /nfs/dbraw/zinc/59/90/95/352599095.db2.gz VKYKSCZUCSXANP-XHNCKOQMSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@H](N)C[N@H+]1CC[C@H]2C[C@H]21 575539404 352599097 /nfs/dbraw/zinc/59/90/97/352599097.db2.gz VKYKSCZUCSXANP-XHNCKOQMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1[C@H]1CC[C@@H]1O 575539510 352599789 /nfs/dbraw/zinc/59/97/89/352599789.db2.gz YVJCBMDYRRRASY-IMSYWVGJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1[C@H]1CC[C@@H]1O 575539510 352599790 /nfs/dbraw/zinc/59/97/90/352599790.db2.gz YVJCBMDYRRRASY-IMSYWVGJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1[C@@H]1CC[C@H]1O 575539512 352599807 /nfs/dbraw/zinc/59/98/07/352599807.db2.gz YVJCBMDYRRRASY-ZYUZMQFOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1[C@@H]1CC[C@H]1O 575539512 352599809 /nfs/dbraw/zinc/59/98/09/352599809.db2.gz YVJCBMDYRRRASY-ZYUZMQFOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1[C@@H]1CC[C@@H]1O 575539511 352599819 /nfs/dbraw/zinc/59/98/19/352599819.db2.gz YVJCBMDYRRRASY-KYXWUPHJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1[C@@H]1CC[C@@H]1O 575539511 352599822 /nfs/dbraw/zinc/59/98/22/352599822.db2.gz YVJCBMDYRRRASY-KYXWUPHJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1[C@H]1CC[C@H]1O 575539509 352600173 /nfs/dbraw/zinc/60/01/73/352600173.db2.gz YVJCBMDYRRRASY-DOLQZWNJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@H+]1[C@H]1CC[C@H]1O 575539509 352600174 /nfs/dbraw/zinc/60/01/74/352600174.db2.gz YVJCBMDYRRRASY-DOLQZWNJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CCN1C[C@@H]1COCC[C@H]1[NH3+] 575539621 352600549 /nfs/dbraw/zinc/60/05/49/352600549.db2.gz YGNQSUKRVCURFP-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@@H]1COCC[C@@H]1[NH3+] 575539619 352600647 /nfs/dbraw/zinc/60/06/47/352600647.db2.gz YGNQSUKRVCURFP-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@H]1COCC[C@@H]1[NH3+] 575539622 352600673 /nfs/dbraw/zinc/60/06/73/352600673.db2.gz YGNQSUKRVCURFP-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@H]1COCC[C@H]1[NH3+] 575539620 352600760 /nfs/dbraw/zinc/60/07/60/352600760.db2.gz YGNQSUKRVCURFP-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+]C[C@]1(N2CC[C@H]3C[C@H]32)CCOC1 575539599 352600805 /nfs/dbraw/zinc/60/08/05/352600805.db2.gz YCBLRBUCUTXHOG-IVZWLZJFSA-N 1 3 182.267 0.198 10 0 ACAEHO [NH3+]C[C@]1(N2CC[C@@H]3C[C@@H]32)CCOC1 575539600 352600831 /nfs/dbraw/zinc/60/08/31/352600831.db2.gz YCBLRBUCUTXHOG-KXUCPTDWSA-N 1 3 182.267 0.198 10 0 ACAEHO CC1C[NH+](C[C@H]2CNCCOC2)C1 575540002 352602044 /nfs/dbraw/zinc/60/20/44/352602044.db2.gz BFFFFFMBQLDPIA-SNVBAGLBSA-N 1 3 184.283 0.174 10 0 ACAEHO CC1C[NH+](C[C@@H]2CNCCOC2)C1 575540001 352602343 /nfs/dbraw/zinc/60/23/43/352602343.db2.gz BFFFFFMBQLDPIA-JTQLQIEISA-N 1 3 184.283 0.174 10 0 ACAEHO CC1(C[N@@H+]2CC[C@H]3C[C@H]32)CNC1 575540350 352603594 /nfs/dbraw/zinc/60/35/94/352603594.db2.gz ACTHJJVVPNFKNX-DTWKUNHWSA-N 1 3 166.268 0.690 10 0 ACAEHO CC1(C[N@H+]2CC[C@H]3C[C@H]32)CNC1 575540350 352603597 /nfs/dbraw/zinc/60/35/97/352603597.db2.gz ACTHJJVVPNFKNX-DTWKUNHWSA-N 1 3 166.268 0.690 10 0 ACAEHO CC1(C[N@@H+]2CC[C@@H]3C[C@@H]32)CNC1 575540349 352603707 /nfs/dbraw/zinc/60/37/07/352603707.db2.gz ACTHJJVVPNFKNX-BDAKNGLRSA-N 1 3 166.268 0.690 10 0 ACAEHO CC1(C[N@H+]2CC[C@@H]3C[C@@H]32)CNC1 575540349 352603709 /nfs/dbraw/zinc/60/37/09/352603709.db2.gz ACTHJJVVPNFKNX-BDAKNGLRSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H](CN2CC[C@H]3C[C@H]32)C[NH2+]1 575541078 352606423 /nfs/dbraw/zinc/60/64/23/352606423.db2.gz DHPJIVVEOFUCDQ-KXUCPTDWSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H](CN2CC[C@@H]3C[C@@H]32)C[NH2+]1 575541077 352606462 /nfs/dbraw/zinc/60/64/62/352606462.db2.gz DHPJIVVEOFUCDQ-BBBLOLIVSA-N 1 3 166.268 0.690 10 0 ACAEHO C[C@@H]1CCN1[C@H]1CC[C@H]1C[NH3+] 575541945 352609574 /nfs/dbraw/zinc/60/95/74/352609574.db2.gz JINARIZPORPRAZ-VGMNWLOBSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CCN1[C@@H]1CC[C@@H]1C[NH3+] 575541944 352609700 /nfs/dbraw/zinc/60/97/00/352609700.db2.gz JINARIZPORPRAZ-IWSPIJDZSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CCN1[C@@H]1CC[C@H]1C[NH3+] 575541943 352609751 /nfs/dbraw/zinc/60/97/51/352609751.db2.gz JINARIZPORPRAZ-HRDYMLBCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1CCN1[C@H]1CC[C@@H]1C[NH3+] 575541942 352609791 /nfs/dbraw/zinc/60/97/91/352609791.db2.gz JINARIZPORPRAZ-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO NC1CC([N@@H+]2CC[C@H]3C[C@H]32)C1 575542418 352610830 /nfs/dbraw/zinc/61/08/30/352610830.db2.gz SJARBHRCMFBUDI-DFAZKQQPSA-N 1 3 152.241 0.570 10 0 ACAEHO NC1CC([N@H+]2CC[C@H]3C[C@H]32)C1 575542418 352610832 /nfs/dbraw/zinc/61/08/32/352610832.db2.gz SJARBHRCMFBUDI-DFAZKQQPSA-N 1 3 152.241 0.570 10 0 ACAEHO NC1CC([N@@H+]2CC[C@@H]3C[C@@H]32)C1 575542419 352610918 /nfs/dbraw/zinc/61/09/18/352610918.db2.gz SJARBHRCMFBUDI-KHONBHQKSA-N 1 3 152.241 0.570 10 0 ACAEHO NC1CC([N@H+]2CC[C@@H]3C[C@@H]32)C1 575542419 352610919 /nfs/dbraw/zinc/61/09/19/352610919.db2.gz SJARBHRCMFBUDI-KHONBHQKSA-N 1 3 152.241 0.570 10 0 ACAEHO N[C@]1(C[NH3+])CCCC12CC2 575543661 352615360 /nfs/dbraw/zinc/61/53/60/352615360.db2.gz RKYDKGFZYRZTTJ-QMMMGPOBSA-N 1 3 140.230 0.607 10 0 ACAEHO N[C@@]1(C[NH3+])CCCC12CC2 575543660 352615563 /nfs/dbraw/zinc/61/55/63/352615563.db2.gz RKYDKGFZYRZTTJ-MRVPVSSYSA-N 1 3 140.230 0.607 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CC[C@@H]2C[C@@H]21 575544247 352617534 /nfs/dbraw/zinc/61/75/34/352617534.db2.gz VKYKSCZUCSXANP-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CC[C@@H]2C[C@@H]21 575544247 352617537 /nfs/dbraw/zinc/61/75/37/352617537.db2.gz VKYKSCZUCSXANP-HLTSFMKQSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@@H](N)C[N@@H+]1CC[C@H]2C[C@H]21 575544246 352617664 /nfs/dbraw/zinc/61/76/64/352617664.db2.gz VKYKSCZUCSXANP-DJLDLDEBSA-N 1 3 154.257 0.818 10 0 ACAEHO CC[C@@H](N)C[N@H+]1CC[C@H]2C[C@H]21 575544246 352617666 /nfs/dbraw/zinc/61/76/66/352617666.db2.gz VKYKSCZUCSXANP-DJLDLDEBSA-N 1 3 154.257 0.818 10 0 ACAEHO C1CS[C@H](CN2CC[C@@H]3C[C@@H]32)C[NH2+]1 575544452 352617842 /nfs/dbraw/zinc/61/78/42/352617842.db2.gz VWRMKAUZCVCQJA-UTLUCORTSA-N 1 3 198.335 0.786 10 0 ACAEHO C1CS[C@H](CN2CC[C@H]3C[C@H]32)C[NH2+]1 575544451 352617858 /nfs/dbraw/zinc/61/78/58/352617858.db2.gz VWRMKAUZCVCQJA-LPEHRKFASA-N 1 3 198.335 0.786 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CC[C@@H]2C[C@@H]21 575545117 352620621 /nfs/dbraw/zinc/62/06/21/352620621.db2.gz ZRAHIUVURDNMKC-DBIOUOCHSA-N 1 3 180.295 0.936 10 0 ACAEHO N[C@@H]1COC[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575545144 352620643 /nfs/dbraw/zinc/62/06/43/352620643.db2.gz ZUYAPASVLNXARY-AXTSPUMRSA-N 1 3 182.267 0.054 10 0 ACAEHO N[C@@H]1COC[C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575545144 352620646 /nfs/dbraw/zinc/62/06/46/352620646.db2.gz ZUYAPASVLNXARY-AXTSPUMRSA-N 1 3 182.267 0.054 10 0 ACAEHO N[C@@H]1COC[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575545146 352620801 /nfs/dbraw/zinc/62/08/01/352620801.db2.gz ZUYAPASVLNXARY-RGOKHQFPSA-N 1 3 182.267 0.054 10 0 ACAEHO N[C@@H]1COC[C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575545146 352620803 /nfs/dbraw/zinc/62/08/03/352620803.db2.gz ZUYAPASVLNXARY-RGOKHQFPSA-N 1 3 182.267 0.054 10 0 ACAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CC[C@H]2C[C@H]21 575545119 352620938 /nfs/dbraw/zinc/62/09/38/352620938.db2.gz ZRAHIUVURDNMKC-LMLFDSFASA-N 1 3 180.295 0.936 10 0 ACAEHO N[C@H]1CCCCC[N@H+](CCO)C1 575545593 352621935 /nfs/dbraw/zinc/62/19/35/352621935.db2.gz ILUMHBSHXHHMBG-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO N[C@H]1CCCCC[N@@H+](CCO)C1 575545593 352621937 /nfs/dbraw/zinc/62/19/37/352621937.db2.gz ILUMHBSHXHHMBG-VIFPVBQESA-N 1 3 172.272 0.182 10 0 ACAEHO N[C@@H]1CCCCC[N@H+](CCO)C1 575545592 352622101 /nfs/dbraw/zinc/62/21/01/352622101.db2.gz ILUMHBSHXHHMBG-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO N[C@@H]1CCCCC[N@@H+](CCO)C1 575545592 352622104 /nfs/dbraw/zinc/62/21/04/352622104.db2.gz ILUMHBSHXHHMBG-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO N[C@H](C[NH3+])[C@H]1C[C@@H]2C[C@@H]2C1 575546310 352624910 /nfs/dbraw/zinc/62/49/10/352624910.db2.gz VFJSCYIQNKWYLS-ULAWRXDQSA-N 1 3 140.230 0.319 10 0 ACAEHO N[C@@H](C[NH3+])[C@H]1C[C@@H]2C[C@@H]2C1 575546311 352625234 /nfs/dbraw/zinc/62/52/34/352625234.db2.gz VFJSCYIQNKWYLS-YWIQKCBGSA-N 1 3 140.230 0.319 10 0 ACAEHO C[C@@]12C[NH2+]C[C@H]1CN(CC1CC1)C2 575549102 352633249 /nfs/dbraw/zinc/63/32/49/352633249.db2.gz HJUKLYRNCMCBLO-QWRGUYRKSA-N 1 3 180.295 0.938 10 0 ACAEHO C[C@]12C[NH2+]C[C@H]1CN(CC1CC1)C2 575549103 352633382 /nfs/dbraw/zinc/63/33/82/352633382.db2.gz HJUKLYRNCMCBLO-WDEREUQCSA-N 1 3 180.295 0.938 10 0 ACAEHO C[C@]12C[NH2+]C[C@@H]1CN(CC1CC1)C2 575549099 352633689 /nfs/dbraw/zinc/63/36/89/352633689.db2.gz HJUKLYRNCMCBLO-GHMZBOCLSA-N 1 3 180.295 0.938 10 0 ACAEHO C[C@H]1[NH2+]CC[C@@H]1Nc1ccncc1 575550091 352637288 /nfs/dbraw/zinc/63/72/88/352637288.db2.gz QSJYQANRVXKPMX-SCZZXKLOSA-N 1 3 177.251 0.666 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@@H]1Nc1ccncc1 575550093 352637310 /nfs/dbraw/zinc/63/73/10/352637310.db2.gz QSJYQANRVXKPMX-WPRPVWTQSA-N 1 3 177.251 0.666 10 0 ACAEHO C[C@H]1[NH2+]CC[C@H]1Nc1ccncc1 575550090 352637497 /nfs/dbraw/zinc/63/74/97/352637497.db2.gz QSJYQANRVXKPMX-PSASIEDQSA-N 1 3 177.251 0.666 10 0 ACAEHO C[C@@H]1[NH2+]CC[C@H]1Nc1ccncc1 575550092 352637513 /nfs/dbraw/zinc/63/75/13/352637513.db2.gz QSJYQANRVXKPMX-WCBMZHEXSA-N 1 3 177.251 0.666 10 0 ACAEHO CCCN1C[C@H]2C[NH2+]C[C@@]2(C)C1 575551572 352642107 /nfs/dbraw/zinc/64/21/07/352642107.db2.gz ZHPFMBQZMHCTQL-ZJUUUORDSA-N 1 3 168.284 0.938 10 0 ACAEHO CCCN1C[C@H]2C[NH2+]C[C@]2(C)C1 575551567 352642221 /nfs/dbraw/zinc/64/22/21/352642221.db2.gz ZHPFMBQZMHCTQL-NXEZZACHSA-N 1 3 168.284 0.938 10 0 ACAEHO CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 575551571 352642276 /nfs/dbraw/zinc/64/22/76/352642276.db2.gz ZHPFMBQZMHCTQL-VHSXEESVSA-N 1 3 168.284 0.938 10 0 ACAEHO CCCN1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575551569 352642315 /nfs/dbraw/zinc/64/23/15/352642315.db2.gz ZHPFMBQZMHCTQL-UWVGGRQHSA-N 1 3 168.284 0.938 10 0 ACAEHO Nc1ccncc1[C@@H](F)C1C[NH2+]C1 575554857 352653795 /nfs/dbraw/zinc/65/37/95/352653795.db2.gz HBZHJMKSEXUQGE-VIFPVBQESA-N 1 3 181.214 0.724 10 0 ACAEHO Nc1ccncc1[C@H](F)C1C[NH2+]C1 575554850 352653910 /nfs/dbraw/zinc/65/39/10/352653910.db2.gz HBZHJMKSEXUQGE-SECBINFHSA-N 1 3 181.214 0.724 10 0 ACAEHO O[C@H]1CCC[N@H+](CC2CNC2)CC1 575555645 352657089 /nfs/dbraw/zinc/65/70/89/352657089.db2.gz AGRYEJZVLTZOHN-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO O[C@H]1CCC[N@@H+](CC2CNC2)CC1 575555645 352657092 /nfs/dbraw/zinc/65/70/92/352657092.db2.gz AGRYEJZVLTZOHN-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO O[C@@H]1CCC[N@H+](CC2CNC2)CC1 575555646 352657284 /nfs/dbraw/zinc/65/72/84/352657284.db2.gz AGRYEJZVLTZOHN-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO O[C@@H]1CCC[N@@H+](CC2CNC2)CC1 575555646 352657287 /nfs/dbraw/zinc/65/72/87/352657287.db2.gz AGRYEJZVLTZOHN-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@H]1[C@H](O)CCC[N@@H+]1CC1CNC1 575556109 352658342 /nfs/dbraw/zinc/65/83/42/352658342.db2.gz GPLRLVDLWZUAEH-WCBMZHEXSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1[C@H](O)CCC[N@H+]1CC1CNC1 575556109 352658345 /nfs/dbraw/zinc/65/83/45/352658345.db2.gz GPLRLVDLWZUAEH-WCBMZHEXSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1[C@@H](O)CCC[N@@H+]1CC1CNC1 575556111 352658397 /nfs/dbraw/zinc/65/83/97/352658397.db2.gz GPLRLVDLWZUAEH-WPRPVWTQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1[C@@H](O)CCC[N@H+]1CC1CNC1 575556111 352658398 /nfs/dbraw/zinc/65/83/98/352658398.db2.gz GPLRLVDLWZUAEH-WPRPVWTQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1[C@H](O)CCC[N@@H+]1CC1CNC1 575556105 352658563 /nfs/dbraw/zinc/65/85/63/352658563.db2.gz GPLRLVDLWZUAEH-PSASIEDQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1[C@H](O)CCC[N@H+]1CC1CNC1 575556105 352658567 /nfs/dbraw/zinc/65/85/67/352658567.db2.gz GPLRLVDLWZUAEH-PSASIEDQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC1CNC1 575556108 352658639 /nfs/dbraw/zinc/65/86/39/352658639.db2.gz GPLRLVDLWZUAEH-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1[C@@H](O)CCC[N@H+]1CC1CNC1 575556108 352658645 /nfs/dbraw/zinc/65/86/45/352658645.db2.gz GPLRLVDLWZUAEH-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)[C@H](O)CCN1CC1C[NH2+]C1 575556649 352661053 /nfs/dbraw/zinc/66/10/53/352661053.db2.gz JSXUUFLTGJUZFL-SECBINFHSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)[C@H](O)CC[N@@H+]1CC1CNC1 575556649 352661054 /nfs/dbraw/zinc/66/10/54/352661054.db2.gz JSXUUFLTGJUZFL-SECBINFHSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)[C@H](O)CC[N@H+]1CC1CNC1 575556649 352661056 /nfs/dbraw/zinc/66/10/56/352661056.db2.gz JSXUUFLTGJUZFL-SECBINFHSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)[C@@H](O)CCN1CC1C[NH2+]C1 575556650 352661156 /nfs/dbraw/zinc/66/11/56/352661156.db2.gz JSXUUFLTGJUZFL-VIFPVBQESA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)[C@@H](O)CC[N@@H+]1CC1CNC1 575556650 352661157 /nfs/dbraw/zinc/66/11/57/352661157.db2.gz JSXUUFLTGJUZFL-VIFPVBQESA-N 1 3 184.283 0.051 10 0 ACAEHO CC1(C)[C@@H](O)CC[N@H+]1CC1CNC1 575556650 352661160 /nfs/dbraw/zinc/66/11/60/352661160.db2.gz JSXUUFLTGJUZFL-VIFPVBQESA-N 1 3 184.283 0.051 10 0 ACAEHO C1C[C@H](NCC2C[NH2+]C2)CS1 575557089 352662115 /nfs/dbraw/zinc/66/21/15/352662115.db2.gz DSPONDMMOGCXTN-QMMMGPOBSA-N 1 3 172.297 0.301 10 0 ACAEHO C1C[C@H]([NH2+]CC2CNC2)CS1 575557089 352662118 /nfs/dbraw/zinc/66/21/18/352662118.db2.gz DSPONDMMOGCXTN-QMMMGPOBSA-N 1 3 172.297 0.301 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@@H+]1CC1CNC1 575557128 352662122 /nfs/dbraw/zinc/66/21/22/352662122.db2.gz KQBIQXCISPKIPR-WPRPVWTQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1CC[C@H](O)C[N@H+]1CC1CNC1 575557128 352662123 /nfs/dbraw/zinc/66/21/23/352662123.db2.gz KQBIQXCISPKIPR-WPRPVWTQSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1CC[C@@H](O)C[N@@H+]1CC1CNC1 575557127 352662157 /nfs/dbraw/zinc/66/21/57/352662157.db2.gz KQBIQXCISPKIPR-WCBMZHEXSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1CC[C@@H](O)C[N@H+]1CC1CNC1 575557127 352662160 /nfs/dbraw/zinc/66/21/60/352662160.db2.gz KQBIQXCISPKIPR-WCBMZHEXSA-N 1 3 184.283 0.051 10 0 ACAEHO C1C[C@@H](NCC2C[NH2+]C2)CS1 575557088 352662243 /nfs/dbraw/zinc/66/22/43/352662243.db2.gz DSPONDMMOGCXTN-MRVPVSSYSA-N 1 3 172.297 0.301 10 0 ACAEHO C1C[C@@H]([NH2+]CC2CNC2)CS1 575557088 352662245 /nfs/dbraw/zinc/66/22/45/352662245.db2.gz DSPONDMMOGCXTN-MRVPVSSYSA-N 1 3 172.297 0.301 10 0 ACAEHO C[C@@H]1CC[C@H](O)C[N@@H+]1CC1CNC1 575557126 352662502 /nfs/dbraw/zinc/66/25/02/352662502.db2.gz KQBIQXCISPKIPR-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CC[C@H](O)C[N@H+]1CC1CNC1 575557126 352662505 /nfs/dbraw/zinc/66/25/05/352662505.db2.gz KQBIQXCISPKIPR-SCZZXKLOSA-N 1 3 184.283 0.051 10 0 ACAEHO CO[C@H]1C[C@H]([N@@H+]2CCCNCC2)C1 575557017 352662552 /nfs/dbraw/zinc/66/25/52/352662552.db2.gz GNKYMNSCYBKDPG-MGCOHNPYSA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@H]1C[C@H]([N@H+]2CCCNCC2)C1 575557017 352662556 /nfs/dbraw/zinc/66/25/56/352662556.db2.gz GNKYMNSCYBKDPG-MGCOHNPYSA-N 1 3 184.283 0.459 10 0 ACAEHO CO[C@H]1C[C@H](N2CCC([NH3+])CC2)C1 575559301 352672218 /nfs/dbraw/zinc/67/22/18/352672218.db2.gz NPLVLJWMXSEXTC-MGCOHNPYSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@]12C[NH2+]C[C@H]1CN(C1CSC1)C2 575559672 352673395 /nfs/dbraw/zinc/67/33/95/352673395.db2.gz WCLHJTYBJRVSPX-WPRPVWTQSA-N 1 3 198.335 0.643 10 0 ACAEHO C[C@@]12C[NH2+]C[C@@H]1CN(C1CSC1)C2 575559670 352673508 /nfs/dbraw/zinc/67/35/08/352673508.db2.gz WCLHJTYBJRVSPX-SCZZXKLOSA-N 1 3 198.335 0.643 10 0 ACAEHO C[C@@]1(O)CCC[N@H+](CC2CNC2)C1 575559687 352673771 /nfs/dbraw/zinc/67/37/71/352673771.db2.gz WHFTUGRTVODUNB-SNVBAGLBSA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@]1(O)CCC[N@H+](CC2CNC2)C1 575559686 352673798 /nfs/dbraw/zinc/67/37/98/352673798.db2.gz WHFTUGRTVODUNB-JTQLQIEISA-N 1 3 184.283 0.053 10 0 ACAEHO C[C@]12C[NH2+]C[C@H]1CN(C1CSC1)C2 575559671 352673808 /nfs/dbraw/zinc/67/38/08/352673808.db2.gz WCLHJTYBJRVSPX-WCBMZHEXSA-N 1 3 198.335 0.643 10 0 ACAEHO C[C@]12C[NH2+]C[C@@H]1CN(C1CSC1)C2 575559669 352673848 /nfs/dbraw/zinc/67/38/48/352673848.db2.gz WCLHJTYBJRVSPX-PSASIEDQSA-N 1 3 198.335 0.643 10 0 ACAEHO C[NH+](C)C1CC(NC2CC2)C1 575560578 352677398 /nfs/dbraw/zinc/67/73/98/352677398.db2.gz KGFJUWOLDYJVRJ-UHFFFAOYSA-N 1 3 154.257 0.831 10 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/nfs/dbraw/zinc/68/21/45/352682145.db2.gz QZGCJKLJRMGYPL-APPZFPTMSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1C[C@](C)(N)C[N@@H+]1C1CC1 575561619 352682265 /nfs/dbraw/zinc/68/22/65/352682265.db2.gz QZGCJKLJRMGYPL-CBAPKCEASA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CC[N@H+](CC(C)(C)O)CCN1 575561942 352684063 /nfs/dbraw/zinc/68/40/63/352684063.db2.gz XDJKREPADLIJDE-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@@H]1CC[N@@H+](CC(C)(C)O)CCN1 575561942 352684066 /nfs/dbraw/zinc/68/40/66/352684066.db2.gz XDJKREPADLIJDE-SECBINFHSA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1CC[N@H+](CC(C)(C)O)CCN1 575561944 352684233 /nfs/dbraw/zinc/68/42/33/352684233.db2.gz XDJKREPADLIJDE-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1CC[N@@H+](CC(C)(C)O)CCN1 575561944 352684236 /nfs/dbraw/zinc/68/42/36/352684236.db2.gz XDJKREPADLIJDE-VIFPVBQESA-N 1 3 186.299 0.441 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+]1C[C@@H]1CCCO1 575563663 352691335 /nfs/dbraw/zinc/69/13/35/352691335.db2.gz RKHSQXRCAPXQJH-AEJSXWLSSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+]1C[C@@H]1CCCO1 575563663 352691336 /nfs/dbraw/zinc/69/13/36/352691336.db2.gz RKHSQXRCAPXQJH-AEJSXWLSSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+]1C[C@@H]1CCCO1 575563664 352691654 /nfs/dbraw/zinc/69/16/54/352691654.db2.gz RKHSQXRCAPXQJH-GUBZILKMSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+]1C[C@@H]1CCCO1 575563664 352691657 /nfs/dbraw/zinc/69/16/57/352691657.db2.gz RKHSQXRCAPXQJH-GUBZILKMSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+]1C[C@H]1CCCO1 575563670 352691675 /nfs/dbraw/zinc/69/16/75/352691675.db2.gz RKHSQXRCAPXQJH-IVZWLZJFSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+]1C[C@H]1CCCO1 575563670 352691676 /nfs/dbraw/zinc/69/16/76/352691676.db2.gz RKHSQXRCAPXQJH-IVZWLZJFSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+]1C[C@H]1CCCO1 575563673 352692066 /nfs/dbraw/zinc/69/20/66/352692066.db2.gz RKHSQXRCAPXQJH-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+]1C[C@H]1CCCO1 575563673 352692067 /nfs/dbraw/zinc/69/20/67/352692067.db2.gz RKHSQXRCAPXQJH-LPEHRKFASA-N 1 3 184.283 0.587 10 0 ACAEHO CC[C@]1(N)C[C@@H](C)[N@H+](C)C1 575565436 352701382 /nfs/dbraw/zinc/70/13/82/352701382.db2.gz OTFUMEYMEQDLNE-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@]1(N)C[C@@H](C)[N@@H+](C)C1 575565436 352701384 /nfs/dbraw/zinc/70/13/84/352701384.db2.gz OTFUMEYMEQDLNE-SFYZADRCSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@]1(N)C[C@H](C)[N@H+](C)C1 575565439 352701528 /nfs/dbraw/zinc/70/15/28/352701528.db2.gz OTFUMEYMEQDLNE-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@]1(N)C[C@H](C)[N@@H+](C)C1 575565439 352701529 /nfs/dbraw/zinc/70/15/29/352701529.db2.gz OTFUMEYMEQDLNE-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@@]1(N)C[C@@H](C)[N@H+](C)C1 575565431 352701557 /nfs/dbraw/zinc/70/15/57/352701557.db2.gz OTFUMEYMEQDLNE-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@@]1(N)C[C@@H](C)[N@@H+](C)C1 575565431 352701558 /nfs/dbraw/zinc/70/15/58/352701558.db2.gz OTFUMEYMEQDLNE-HTQZYQBOSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@@]1(N)C[C@H](C)[N@H+](C)C1 575565434 352701616 /nfs/dbraw/zinc/70/16/16/352701616.db2.gz OTFUMEYMEQDLNE-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@@]1(N)C[C@H](C)[N@@H+](C)C1 575565434 352701619 /nfs/dbraw/zinc/70/16/19/352701619.db2.gz OTFUMEYMEQDLNE-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO CC1(C)C[C@@]1(C)NCC[NH3+] 575566084 352704818 /nfs/dbraw/zinc/70/48/18/352704818.db2.gz PFSVQAOGOMKMCC-MRVPVSSYSA-N 1 3 142.246 0.723 10 0 ACAEHO CC1(C)C[C@]1(C)NCC[NH3+] 575566085 352704901 /nfs/dbraw/zinc/70/49/01/352704901.db2.gz PFSVQAOGOMKMCC-QMMMGPOBSA-N 1 3 142.246 0.723 10 0 ACAEHO C[C@@H]1C[C@](C)(N)C[N@@H+]1C 575566906 352708504 /nfs/dbraw/zinc/70/85/04/352708504.db2.gz VIIOPMJGJRRFBL-RQJHMYQMSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1C[C@](C)(N)C[N@H+]1C 575566906 352708505 /nfs/dbraw/zinc/70/85/05/352708505.db2.gz VIIOPMJGJRRFBL-RQJHMYQMSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1C[C@@](C)(N)C[N@@H+]1C 575566905 352708678 /nfs/dbraw/zinc/70/86/78/352708678.db2.gz VIIOPMJGJRRFBL-RNFRBKRXSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1C[C@@](C)(N)C[N@H+]1C 575566905 352708682 /nfs/dbraw/zinc/70/86/82/352708682.db2.gz VIIOPMJGJRRFBL-RNFRBKRXSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H]1C[C@](C)(N)C[N@@H+]1C 575566903 352708701 /nfs/dbraw/zinc/70/87/01/352708701.db2.gz VIIOPMJGJRRFBL-BQBZGAKWSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H]1C[C@](C)(N)C[N@H+]1C 575566903 352708704 /nfs/dbraw/zinc/70/87/04/352708704.db2.gz VIIOPMJGJRRFBL-BQBZGAKWSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H]1C[C@@](C)(N)C[N@@H+]1C 575566904 352708777 /nfs/dbraw/zinc/70/87/77/352708777.db2.gz VIIOPMJGJRRFBL-NKWVEPMBSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@H]1C[C@@](C)(N)C[N@H+]1C 575566904 352708778 /nfs/dbraw/zinc/70/87/78/352708778.db2.gz VIIOPMJGJRRFBL-NKWVEPMBSA-N 1 3 128.219 0.428 10 0 ACAEHO N[C@]1(C2CC2)CC[N@@H+](C2CC2)C1 575568017 352714506 /nfs/dbraw/zinc/71/45/06/352714506.db2.gz BNHZUDYHUIJNBB-SNVBAGLBSA-N 1 3 166.268 0.962 10 0 ACAEHO N[C@]1(C2CC2)CC[N@H+](C2CC2)C1 575568017 352714508 /nfs/dbraw/zinc/71/45/08/352714508.db2.gz BNHZUDYHUIJNBB-SNVBAGLBSA-N 1 3 166.268 0.962 10 0 ACAEHO N[C@@]1(C2CC2)CC[N@@H+](C2CC2)C1 575568016 352714562 /nfs/dbraw/zinc/71/45/62/352714562.db2.gz BNHZUDYHUIJNBB-JTQLQIEISA-N 1 3 166.268 0.962 10 0 ACAEHO N[C@@]1(C2CC2)CC[N@H+](C2CC2)C1 575568016 352714563 /nfs/dbraw/zinc/71/45/63/352714563.db2.gz BNHZUDYHUIJNBB-JTQLQIEISA-N 1 3 166.268 0.962 10 0 ACAEHO C[C@@H]1CCCN1C[C@H]1C[NH2+]C[C@H]1O 575568182 352715083 /nfs/dbraw/zinc/71/50/83/352715083.db2.gz FCDPKYJSTDFJCZ-OPRDCNLKSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CCCN1C[C@H]1C[NH2+]C[C@@H]1O 575568170 352715094 /nfs/dbraw/zinc/71/50/94/352715094.db2.gz FCDPKYJSTDFJCZ-BBBLOLIVSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CCCN1C[C@@H]1C[NH2+]C[C@H]1O 575568173 352715328 /nfs/dbraw/zinc/71/53/28/352715328.db2.gz FCDPKYJSTDFJCZ-KXUCPTDWSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1CCCN1C[C@@H]1C[NH2+]C[C@@H]1O 575568189 352715398 /nfs/dbraw/zinc/71/53/98/352715398.db2.gz FCDPKYJSTDFJCZ-UTLUCORTSA-N 1 3 184.283 0.051 10 0 ACAEHO CC1CN(C[C@@H](C)C(N)=[NH2+])C1 575568821 352718427 /nfs/dbraw/zinc/71/84/27/352718427.db2.gz GICUOKDFJBSYHN-SSDOTTSWSA-N 1 3 155.245 0.510 10 0 ACAEHO CC1CN(C[C@H](C)C(N)=[NH2+])C1 575568833 352718673 /nfs/dbraw/zinc/71/86/73/352718673.db2.gz GICUOKDFJBSYHN-ZETCQYMHSA-N 1 3 155.245 0.510 10 0 ACAEHO CC[N@@H+]1CC[C@@](N)(C2CC2)C1 575570693 352726768 /nfs/dbraw/zinc/72/67/68/352726768.db2.gz SZEJTFSQIVOKND-VIFPVBQESA-N 1 3 154.257 0.820 10 0 ACAEHO CC[N@H+]1CC[C@@](N)(C2CC2)C1 575570693 352726770 /nfs/dbraw/zinc/72/67/70/352726770.db2.gz SZEJTFSQIVOKND-VIFPVBQESA-N 1 3 154.257 0.820 10 0 ACAEHO CC[N@@H+]1CC[C@](N)(C2CC2)C1 575570691 352726981 /nfs/dbraw/zinc/72/69/81/352726981.db2.gz SZEJTFSQIVOKND-SECBINFHSA-N 1 3 154.257 0.820 10 0 ACAEHO CC[N@H+]1CC[C@](N)(C2CC2)C1 575570691 352726983 /nfs/dbraw/zinc/72/69/83/352726983.db2.gz SZEJTFSQIVOKND-SECBINFHSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H](CO)N1CCC(C)([NH3+])CC1 575570722 352727528 /nfs/dbraw/zinc/72/75/28/352727528.db2.gz UCMOIQILDUTIGD-MRVPVSSYSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H](CO)N1CCC(C)([NH3+])CC1 575570724 352727766 /nfs/dbraw/zinc/72/77/66/352727766.db2.gz UCMOIQILDUTIGD-QMMMGPOBSA-N 1 3 172.272 0.180 10 0 ACAEHO CC[C@@]1(N)CC[N@@H+](C2CC2)C1 575571253 352729322 /nfs/dbraw/zinc/72/93/22/352729322.db2.gz MMJMHTKBCCTWBE-SECBINFHSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@@]1(N)CC[N@H+](C2CC2)C1 575571253 352729324 /nfs/dbraw/zinc/72/93/24/352729324.db2.gz MMJMHTKBCCTWBE-SECBINFHSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@]1(N)CC[N@@H+](C2CC2)C1 575571254 352729781 /nfs/dbraw/zinc/72/97/81/352729781.db2.gz MMJMHTKBCCTWBE-VIFPVBQESA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@]1(N)CC[N@H+](C2CC2)C1 575571254 352729783 /nfs/dbraw/zinc/72/97/83/352729783.db2.gz MMJMHTKBCCTWBE-VIFPVBQESA-N 1 3 154.257 0.962 10 0 ACAEHO CC1([NH3+])CCN([C@@H]2CC[C@H]2O)CC1 575572134 352734633 /nfs/dbraw/zinc/73/46/33/352734633.db2.gz MNVNJAMHHQLVSS-RKDXNWHRSA-N 1 3 184.283 0.323 10 0 ACAEHO CC1([NH3+])CCN([C@H]2CC[C@H]2O)CC1 575572131 352734725 /nfs/dbraw/zinc/73/47/25/352734725.db2.gz MNVNJAMHHQLVSS-DTWKUNHWSA-N 1 3 184.283 0.323 10 0 ACAEHO CC1([NH3+])CCN([C@H]2CC[C@@H]2O)CC1 575572132 352734732 /nfs/dbraw/zinc/73/47/32/352734732.db2.gz MNVNJAMHHQLVSS-IUCAKERBSA-N 1 3 184.283 0.323 10 0 ACAEHO CC1([NH3+])CCN([C@@H]2CC[C@@H]2O)CC1 575572129 352734793 /nfs/dbraw/zinc/73/47/93/352734793.db2.gz MNVNJAMHHQLVSS-BDAKNGLRSA-N 1 3 184.283 0.323 10 0 ACAEHO CC[N@@H+]1CC[C@](N)(CC)C1 575572159 352735180 /nfs/dbraw/zinc/73/51/80/352735180.db2.gz YZYWWYDRVWZFOX-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO CC[N@H+]1CC[C@](N)(CC)C1 575572159 352735182 /nfs/dbraw/zinc/73/51/82/352735182.db2.gz YZYWWYDRVWZFOX-MRVPVSSYSA-N 1 3 142.246 0.820 10 0 ACAEHO CC[N@@H+]1CC[C@@](N)(CC)C1 575572160 352735453 /nfs/dbraw/zinc/73/54/53/352735453.db2.gz YZYWWYDRVWZFOX-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO CC[N@H+]1CC[C@@](N)(CC)C1 575572160 352735455 /nfs/dbraw/zinc/73/54/55/352735455.db2.gz YZYWWYDRVWZFOX-QMMMGPOBSA-N 1 3 142.246 0.820 10 0 ACAEHO CC1CN(CCC(N)=[NH2+])C1 575572395 352736008 /nfs/dbraw/zinc/73/60/08/352736008.db2.gz UPJIORCAWYNMLT-UHFFFAOYSA-N 1 3 141.218 0.264 10 0 ACAEHO C[C@@H]1C[C@](N)(C2CC2)C[N@@H+]1C 575572591 352737181 /nfs/dbraw/zinc/73/71/81/352737181.db2.gz RNLJYBGASULHIG-VXNVDRBHSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@](N)(C2CC2)C[N@H+]1C 575572591 352737184 /nfs/dbraw/zinc/73/71/84/352737184.db2.gz RNLJYBGASULHIG-VXNVDRBHSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@@](N)(C2CC2)C[N@@H+]1C 575572588 352737231 /nfs/dbraw/zinc/73/72/31/352737231.db2.gz RNLJYBGASULHIG-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[C@@](N)(C2CC2)C[N@H+]1C 575572588 352737234 /nfs/dbraw/zinc/73/72/34/352737234.db2.gz RNLJYBGASULHIG-APPZFPTMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@@](N)(C2CC2)C[N@@H+]1C 575572589 352737386 /nfs/dbraw/zinc/73/73/86/352737386.db2.gz RNLJYBGASULHIG-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@@](N)(C2CC2)C[N@H+]1C 575572589 352737388 /nfs/dbraw/zinc/73/73/88/352737388.db2.gz RNLJYBGASULHIG-CBAPKCEASA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@](N)(C2CC2)C[N@@H+]1C 575572590 352737505 /nfs/dbraw/zinc/73/75/05/352737505.db2.gz RNLJYBGASULHIG-IONNQARKSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@](N)(C2CC2)C[N@H+]1C 575572590 352737509 /nfs/dbraw/zinc/73/75/09/352737509.db2.gz RNLJYBGASULHIG-IONNQARKSA-N 1 3 154.257 0.818 10 0 ACAEHO CC1CN([C@H](C)CC(N)=[NH2+])C1 575573246 352740790 /nfs/dbraw/zinc/74/07/90/352740790.db2.gz ZYZADUFEJWPVQR-SSDOTTSWSA-N 1 3 155.245 0.653 10 0 ACAEHO CC1CN([C@@H](C)CC(N)=[NH2+])C1 575573247 352741146 /nfs/dbraw/zinc/74/11/46/352741146.db2.gz ZYZADUFEJWPVQR-ZETCQYMHSA-N 1 3 155.245 0.653 10 0 ACAEHO C[C@@]1(N)CC[N@H+](CC2(O)CCC2)C1 575574468 352745860 /nfs/dbraw/zinc/74/58/60/352745860.db2.gz VLPZEUWOHAVLJB-SECBINFHSA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@@]1(N)CC[N@@H+](CC2(O)CCC2)C1 575574468 352745862 /nfs/dbraw/zinc/74/58/62/352745862.db2.gz VLPZEUWOHAVLJB-SECBINFHSA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@]1(N)CC[N@H+](CC2(O)CCC2)C1 575574469 352745908 /nfs/dbraw/zinc/74/59/08/352745908.db2.gz VLPZEUWOHAVLJB-VIFPVBQESA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@]1(N)CC[N@@H+](CC2(O)CCC2)C1 575574469 352745909 /nfs/dbraw/zinc/74/59/09/352745909.db2.gz VLPZEUWOHAVLJB-VIFPVBQESA-N 1 3 184.283 0.325 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](N)C[C@H]2C)CO1 575574323 352745923 /nfs/dbraw/zinc/74/59/23/352745923.db2.gz RDIXXAAYDUEQIU-IMSYWVGJSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](N)C[C@H]2C)CO1 575574323 352745926 /nfs/dbraw/zinc/74/59/26/352745926.db2.gz RDIXXAAYDUEQIU-IMSYWVGJSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+]1[C@@H]1CO[C@H](C)C1 575574324 352745957 /nfs/dbraw/zinc/74/59/57/352745957.db2.gz RDIXXAAYDUEQIU-JLIMGVALSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+]1[C@@H]1CO[C@H](C)C1 575574324 352745959 /nfs/dbraw/zinc/74/59/59/352745959.db2.gz RDIXXAAYDUEQIU-JLIMGVALSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@@H+]1[C@@H]1CO[C@H](C)C1 575574325 352746043 /nfs/dbraw/zinc/74/60/43/352746043.db2.gz RDIXXAAYDUEQIU-JXUBOQSCSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+]1[C@@H]1CO[C@H](C)C1 575574325 352746039 /nfs/dbraw/zinc/74/60/39/352746039.db2.gz RDIXXAAYDUEQIU-JXUBOQSCSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+]2C[C@H](N)C[C@H]2C)CO1 575574326 352746059 /nfs/dbraw/zinc/74/60/59/352746059.db2.gz RDIXXAAYDUEQIU-KYXWUPHJSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+]2C[C@H](N)C[C@H]2C)CO1 575574326 352746061 /nfs/dbraw/zinc/74/60/61/352746061.db2.gz RDIXXAAYDUEQIU-KYXWUPHJSA-N 1 3 184.283 0.585 10 0 ACAEHO C[C@H]1C[C@@]1(C)NCC[NH3+] 575576335 352756063 /nfs/dbraw/zinc/75/60/63/352756063.db2.gz LYANNVDBCIXWLD-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H]1C[C@@]1(C)NCC[NH3+] 575576338 352756097 /nfs/dbraw/zinc/75/60/97/352756097.db2.gz LYANNVDBCIXWLD-RNFRBKRXSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H]1C[C@]1(C)NCC[NH3+] 575576332 352756259 /nfs/dbraw/zinc/75/62/59/352756259.db2.gz LYANNVDBCIXWLD-BQBZGAKWSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@@H]1C[C@]1(C)NCC[NH3+] 575576340 352756313 /nfs/dbraw/zinc/75/63/13/352756313.db2.gz LYANNVDBCIXWLD-RQJHMYQMSA-N 1 3 128.219 0.333 10 0 ACAEHO CC[C@]1([NH3+])CCN2CCC[C@H]21 575576632 352757430 /nfs/dbraw/zinc/75/74/30/352757430.db2.gz NGOANRKXKUZDAJ-IUCAKERBSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@]1([NH3+])CCN2CCC[C@@H]21 575576628 352757439 /nfs/dbraw/zinc/75/74/39/352757439.db2.gz NGOANRKXKUZDAJ-BDAKNGLRSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@@]1([NH3+])CCN2CCC[C@@H]21 575576633 352757455 /nfs/dbraw/zinc/75/74/55/352757455.db2.gz NGOANRKXKUZDAJ-RKDXNWHRSA-N 1 3 154.257 0.962 10 0 ACAEHO CC[C@@]1([NH3+])CCN2CCC[C@H]21 575576630 352757688 /nfs/dbraw/zinc/75/76/88/352757688.db2.gz NGOANRKXKUZDAJ-DTWKUNHWSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1C[C@]1(C)NCC1C[NH2+]C1 575584866 352798864 /nfs/dbraw/zinc/79/88/64/352798864.db2.gz XYLRDLPOUBHZCS-APPZFPTMSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@H]1C[N@@H+](C[C@@H](C)N)[C@H]1C 575584944 352800312 /nfs/dbraw/zinc/80/03/12/352800312.db2.gz ZUOZJBCECYVKDN-RNJXMRFFSA-N 1 3 142.246 0.674 10 0 ACAEHO C[C@]1([NH3+])CCN2CCC[C@H]21 575577281 352760629 /nfs/dbraw/zinc/76/06/29/352760629.db2.gz PHQMCOYTUKVVAN-YUMQZZPRSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@@]1([NH3+])CCN2CCC[C@@H]21 575577278 352760701 /nfs/dbraw/zinc/76/07/01/352760701.db2.gz PHQMCOYTUKVVAN-HTQZYQBOSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@@]1([NH3+])CCN2CCC[C@H]21 575577279 352760713 /nfs/dbraw/zinc/76/07/13/352760713.db2.gz PHQMCOYTUKVVAN-JGVFFNPUSA-N 1 3 140.230 0.572 10 0 ACAEHO C[C@]1([NH3+])CCN2CCC[C@@H]21 575577280 352760746 /nfs/dbraw/zinc/76/07/46/352760746.db2.gz PHQMCOYTUKVVAN-SFYZADRCSA-N 1 3 140.230 0.572 10 0 ACAEHO [NH3+][C@@]1(C2CC2)CCN2CCC[C@H]21 575577917 352764568 /nfs/dbraw/zinc/76/45/68/352764568.db2.gz RWIJIDXNLYXJOA-VHSXEESVSA-N 1 3 166.268 0.962 10 0 ACAEHO [NH3+][C@]1(C2CC2)CCN2CCC[C@H]21 575577916 352764638 /nfs/dbraw/zinc/76/46/38/352764638.db2.gz RWIJIDXNLYXJOA-UWVGGRQHSA-N 1 3 166.268 0.962 10 0 ACAEHO [NH3+][C@@]1(C2CC2)CCN2CCC[C@@H]21 575577914 352764715 /nfs/dbraw/zinc/76/47/15/352764715.db2.gz RWIJIDXNLYXJOA-NXEZZACHSA-N 1 3 166.268 0.962 10 0 ACAEHO [NH3+][C@]1(C2CC2)CCN2CCC[C@@H]21 575578104 352765256 /nfs/dbraw/zinc/76/52/56/352765256.db2.gz RWIJIDXNLYXJOA-ZJUUUORDSA-N 1 3 166.268 0.962 10 0 ACAEHO CC(C)NC[C@@H]1OCC[C@@H]1[NH3+] 575578543 352768479 /nfs/dbraw/zinc/76/84/79/352768479.db2.gz CVXIJBRZOJYQDJ-YUMQZZPRSA-N 1 3 158.245 0.101 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@@H]1OCC[C@@H]1N 575578671 352768497 /nfs/dbraw/zinc/76/84/97/352768497.db2.gz DQEWEKBMZHCQOL-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@@H]1OCC[C@@H]1N 575578671 352768498 /nfs/dbraw/zinc/76/84/98/352768498.db2.gz DQEWEKBMZHCQOL-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCCN1C[C@@H]1OCC[C@@H]1[NH3+] 575578671 352768500 /nfs/dbraw/zinc/76/85/00/352768500.db2.gz DQEWEKBMZHCQOL-UTLUCORTSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1CCC[N@@H+]1C[C@@H]1OCC[C@@H]1N 575578669 352768543 /nfs/dbraw/zinc/76/85/43/352768543.db2.gz DQEWEKBMZHCQOL-GUBZILKMSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1CCC[N@H+]1C[C@@H]1OCC[C@@H]1N 575578669 352768545 /nfs/dbraw/zinc/76/85/45/352768545.db2.gz DQEWEKBMZHCQOL-GUBZILKMSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@H]1CCCN1C[C@@H]1OCC[C@@H]1[NH3+] 575578669 352768546 /nfs/dbraw/zinc/76/85/46/352768546.db2.gz DQEWEKBMZHCQOL-GUBZILKMSA-N 1 3 184.283 0.587 10 0 ACAEHO [NH3+][C@@H]1CCO[C@@H]1CN1CCCCC1 575578955 352770043 /nfs/dbraw/zinc/77/00/43/352770043.db2.gz GMINMGVOQFJRRZ-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[NH+]1CCCCC1 575578955 352770045 /nfs/dbraw/zinc/77/00/45/352770045.db2.gz GMINMGVOQFJRRZ-NXEZZACHSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+][C@@H]1CCO[C@@H]1CN1CCCC1 575579328 352771476 /nfs/dbraw/zinc/77/14/76/352771476.db2.gz LCRSDMGIWHFINH-RKDXNWHRSA-N 1 3 170.256 0.198 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[NH+]1CCCC1 575579328 352771477 /nfs/dbraw/zinc/77/14/77/352771477.db2.gz LCRSDMGIWHFINH-RKDXNWHRSA-N 1 3 170.256 0.198 10 0 ACAEHO C[C@@H]1CN(C)CC[C@@]1(C)[NH3+] 575579776 352773558 /nfs/dbraw/zinc/77/35/58/352773558.db2.gz ZOHITMXMOQGINR-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CN(C)CC[C@@]1(C)[NH3+] 575579777 352773582 /nfs/dbraw/zinc/77/35/82/352773582.db2.gz ZOHITMXMOQGINR-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CN(C)CC[C@]1(C)[NH3+] 575579778 352773663 /nfs/dbraw/zinc/77/36/63/352773663.db2.gz ZOHITMXMOQGINR-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H]1CN(C)CC[C@]1(C)[NH3+] 575579779 352773785 /nfs/dbraw/zinc/77/37/85/352773785.db2.gz ZOHITMXMOQGINR-YUMQZZPRSA-N 1 3 142.246 0.675 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575580064 352774843 /nfs/dbraw/zinc/77/48/43/352774843.db2.gz SSXOYVWDIWSDNZ-DOLQZWNJSA-N 1 3 182.267 0.197 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575580064 352774845 /nfs/dbraw/zinc/77/48/45/352774845.db2.gz SSXOYVWDIWSDNZ-DOLQZWNJSA-N 1 3 182.267 0.197 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575580066 352774904 /nfs/dbraw/zinc/77/49/04/352774904.db2.gz SSXOYVWDIWSDNZ-SGIHWFKDSA-N 1 3 182.267 0.197 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575580066 352774908 /nfs/dbraw/zinc/77/49/08/352774908.db2.gz SSXOYVWDIWSDNZ-SGIHWFKDSA-N 1 3 182.267 0.197 10 0 ACAEHO C[C@H]1CC[N@H+](C[C@@H]2OCC[C@@H]2N)C1 575580084 352775304 /nfs/dbraw/zinc/77/53/04/352775304.db2.gz UIKIHIZHDKLMBC-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1CC[N@@H+](C[C@@H]2OCC[C@@H]2N)C1 575580084 352775306 /nfs/dbraw/zinc/77/53/06/352775306.db2.gz UIKIHIZHDKLMBC-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1CCN(C[C@@H]2OCC[C@@H]2[NH3+])C1 575580084 352775308 /nfs/dbraw/zinc/77/53/08/352775308.db2.gz UIKIHIZHDKLMBC-GUBZILKMSA-N 1 3 184.283 0.444 10 0 ACAEHO N[C@@H]1CCO[C@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 575580262 352776496 /nfs/dbraw/zinc/77/64/96/352776496.db2.gz YSNIHUUVVCMYET-RGOKHQFPSA-N 1 3 182.267 0.054 10 0 ACAEHO CC1(C)CC[N@@H+]1C[C@@H]1OCC[C@@H]1N 575580270 352776355 /nfs/dbraw/zinc/77/63/55/352776355.db2.gz ZFNCSUVFRNQOOQ-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)CC[N@H+]1C[C@@H]1OCC[C@@H]1N 575580270 352776357 /nfs/dbraw/zinc/77/63/57/352776357.db2.gz ZFNCSUVFRNQOOQ-IUCAKERBSA-N 1 3 184.283 0.587 10 0 ACAEHO [NH3+][C@@H]1CCO[C@H]1CN1C[C@H]2C[C@H]2C1 575580262 352776491 /nfs/dbraw/zinc/77/64/91/352776491.db2.gz YSNIHUUVVCMYET-RGOKHQFPSA-N 1 3 182.267 0.054 10 0 ACAEHO N[C@@H]1CCO[C@H]1C[N@H+]1C[C@H]2C[C@H]2C1 575580262 352776494 /nfs/dbraw/zinc/77/64/94/352776494.db2.gz YSNIHUUVVCMYET-RGOKHQFPSA-N 1 3 182.267 0.054 10 0 ACAEHO CC1(C)CC[N@@H+]1C[C@H]1OCC[C@@H]1N 575580269 352776630 /nfs/dbraw/zinc/77/66/30/352776630.db2.gz ZFNCSUVFRNQOOQ-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)CC[N@H+]1C[C@H]1OCC[C@@H]1N 575580269 352776632 /nfs/dbraw/zinc/77/66/32/352776632.db2.gz ZFNCSUVFRNQOOQ-DTWKUNHWSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)CC[N@@H+]1C[C@H]1OCC[C@H]1N 575580271 352776670 /nfs/dbraw/zinc/77/66/70/352776670.db2.gz ZFNCSUVFRNQOOQ-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)CC[N@H+]1C[C@H]1OCC[C@H]1N 575580271 352776672 /nfs/dbraw/zinc/77/66/72/352776672.db2.gz ZFNCSUVFRNQOOQ-RKDXNWHRSA-N 1 3 184.283 0.587 10 0 ACAEHO [NH3+][C@@H]1CCO[C@@H]1CN1C[C@H]2C[C@H]2C1 575580263 352776683 /nfs/dbraw/zinc/77/66/83/352776683.db2.gz YSNIHUUVVCMYET-UTINFBMNSA-N 1 3 182.267 0.054 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[N@H+]1C[C@H]2C[C@H]2C1 575580263 352776685 /nfs/dbraw/zinc/77/66/85/352776685.db2.gz YSNIHUUVVCMYET-UTINFBMNSA-N 1 3 182.267 0.054 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 575580263 352776687 /nfs/dbraw/zinc/77/66/87/352776687.db2.gz YSNIHUUVVCMYET-UTINFBMNSA-N 1 3 182.267 0.054 10 0 ACAEHO CC1(C)CC[N@@H+]1C[C@@H]1OCC[C@H]1N 575580268 352776721 /nfs/dbraw/zinc/77/67/21/352776721.db2.gz ZFNCSUVFRNQOOQ-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO CC1(C)CC[N@H+]1C[C@@H]1OCC[C@H]1N 575580268 352776724 /nfs/dbraw/zinc/77/67/24/352776724.db2.gz ZFNCSUVFRNQOOQ-BDAKNGLRSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@H]1OCC[C@H]1N 575580573 352777785 /nfs/dbraw/zinc/77/77/85/352777785.db2.gz DQEWEKBMZHCQOL-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@H]1OCC[C@H]1N 575580573 352777788 /nfs/dbraw/zinc/77/77/88/352777788.db2.gz DQEWEKBMZHCQOL-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCCN1C[C@H]1OCC[C@H]1[NH3+] 575580573 352777791 /nfs/dbraw/zinc/77/77/91/352777791.db2.gz DQEWEKBMZHCQOL-OPRDCNLKSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@H]1OCC[C@@H]1N 575580572 352777801 /nfs/dbraw/zinc/77/78/01/352777801.db2.gz DQEWEKBMZHCQOL-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@H]1OCC[C@@H]1N 575580572 352777805 /nfs/dbraw/zinc/77/78/05/352777805.db2.gz DQEWEKBMZHCQOL-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCCN1C[C@H]1OCC[C@@H]1[NH3+] 575580572 352777807 /nfs/dbraw/zinc/77/78/07/352777807.db2.gz DQEWEKBMZHCQOL-KXUCPTDWSA-N 1 3 184.283 0.587 10 0 ACAEHO CC(C)NC[C@H]1OCC[C@H]1[NH3+] 575580521 352778224 /nfs/dbraw/zinc/77/82/24/352778224.db2.gz CVXIJBRZOJYQDJ-HTQZYQBOSA-N 1 3 158.245 0.101 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@@H]1OCC[C@H]1N 575580571 352778300 /nfs/dbraw/zinc/77/83/00/352778300.db2.gz DQEWEKBMZHCQOL-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@@H]1OCC[C@H]1N 575580571 352778303 /nfs/dbraw/zinc/77/83/03/352778303.db2.gz DQEWEKBMZHCQOL-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO C[C@@H]1CCCN1C[C@@H]1OCC[C@H]1[NH3+] 575580571 352778306 /nfs/dbraw/zinc/77/83/06/352778306.db2.gz DQEWEKBMZHCQOL-BBBLOLIVSA-N 1 3 184.283 0.587 10 0 ACAEHO CC(C)NC[C@H]1OCC[C@@H]1[NH3+] 575580522 352778363 /nfs/dbraw/zinc/77/83/63/352778363.db2.gz CVXIJBRZOJYQDJ-JGVFFNPUSA-N 1 3 158.245 0.101 10 0 ACAEHO CC(C)NC[C@@H]1OCC[C@H]1[NH3+] 575580523 352778371 /nfs/dbraw/zinc/77/83/71/352778371.db2.gz CVXIJBRZOJYQDJ-SFYZADRCSA-N 1 3 158.245 0.101 10 0 ACAEHO [NH3+][C@H]1CCO[C@H]1CN1CCCCC1 575580732 352778709 /nfs/dbraw/zinc/77/87/09/352778709.db2.gz GMINMGVOQFJRRZ-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO N[C@H]1CCO[C@H]1C[NH+]1CCCCC1 575580732 352778713 /nfs/dbraw/zinc/77/87/13/352778713.db2.gz GMINMGVOQFJRRZ-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+][C@@H]1CCO[C@H]1CN1CCCCC1 575580734 352778780 /nfs/dbraw/zinc/77/87/80/352778780.db2.gz GMINMGVOQFJRRZ-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO N[C@@H]1CCO[C@H]1C[NH+]1CCCCC1 575580734 352778784 /nfs/dbraw/zinc/77/87/84/352778784.db2.gz GMINMGVOQFJRRZ-ZJUUUORDSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+][C@H]1CCO[C@@H]1CN1CCCCC1 575580733 352778902 /nfs/dbraw/zinc/77/89/02/352778902.db2.gz GMINMGVOQFJRRZ-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO N[C@H]1CCO[C@@H]1C[NH+]1CCCCC1 575580733 352778906 /nfs/dbraw/zinc/77/89/06/352778906.db2.gz GMINMGVOQFJRRZ-VHSXEESVSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+][C@@H]1CCO[C@H]1CN1CCCC1 575581175 352781093 /nfs/dbraw/zinc/78/10/93/352781093.db2.gz LCRSDMGIWHFINH-BDAKNGLRSA-N 1 3 170.256 0.198 10 0 ACAEHO N[C@@H]1CCO[C@H]1C[NH+]1CCCC1 575581175 352781097 /nfs/dbraw/zinc/78/10/97/352781097.db2.gz LCRSDMGIWHFINH-BDAKNGLRSA-N 1 3 170.256 0.198 10 0 ACAEHO [NH3+][C@H]1CCO[C@@H]1CN1CCCC1 575581176 352781443 /nfs/dbraw/zinc/78/14/43/352781443.db2.gz LCRSDMGIWHFINH-DTWKUNHWSA-N 1 3 170.256 0.198 10 0 ACAEHO N[C@H]1CCO[C@@H]1C[NH+]1CCCC1 575581176 352781448 /nfs/dbraw/zinc/78/14/48/352781448.db2.gz LCRSDMGIWHFINH-DTWKUNHWSA-N 1 3 170.256 0.198 10 0 ACAEHO CC[C@@]1([NH3+])CCN2CC[C@H]1C2 575581207 352781458 /nfs/dbraw/zinc/78/14/58/352781458.db2.gz LTJXIHFSCYVFIP-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+][C@H]1CCO[C@H]1CN1CCCC1 575581177 352781472 /nfs/dbraw/zinc/78/14/72/352781472.db2.gz LCRSDMGIWHFINH-IUCAKERBSA-N 1 3 170.256 0.198 10 0 ACAEHO N[C@H]1CCO[C@H]1C[NH+]1CCCC1 575581177 352781477 /nfs/dbraw/zinc/78/14/77/352781477.db2.gz LCRSDMGIWHFINH-IUCAKERBSA-N 1 3 170.256 0.198 10 0 ACAEHO CC1(C)C[C@@H]1[C@@H](N)C[NH3+] 575581366 352781753 /nfs/dbraw/zinc/78/17/53/352781753.db2.gz OSGNTBFNYAINCD-RITPCOANSA-N 1 3 128.219 0.319 10 0 ACAEHO CC1(C)C[C@@H]1[C@H](N)C[NH3+] 575581365 352781807 /nfs/dbraw/zinc/78/18/07/352781807.db2.gz OSGNTBFNYAINCD-PHDIDXHHSA-N 1 3 128.219 0.319 10 0 ACAEHO CC1(C)C[C@H]1[C@H](N)C[NH3+] 575581364 352781920 /nfs/dbraw/zinc/78/19/20/352781920.db2.gz OSGNTBFNYAINCD-NTSWFWBYSA-N 1 3 128.219 0.319 10 0 ACAEHO CC1(C)C[C@H]1[C@@H](N)C[NH3+] 575581367 352781933 /nfs/dbraw/zinc/78/19/33/352781933.db2.gz OSGNTBFNYAINCD-WDSKDSINSA-N 1 3 128.219 0.319 10 0 ACAEHO C[C@@]1([NH3+])CCN2CC[C@H]1C2 575581881 352784091 /nfs/dbraw/zinc/78/40/91/352784091.db2.gz ZHIFPBSSYBEIKY-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO C[C@H]1C[N@@H+](C2(CN)CC2)[C@@H]1C 575581935 352784785 /nfs/dbraw/zinc/78/47/85/352784785.db2.gz AKJROUQHLHDLDX-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[N@H+](C2(CN)CC2)[C@@H]1C 575581935 352784786 /nfs/dbraw/zinc/78/47/86/352784786.db2.gz AKJROUQHLHDLDX-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1[C@H](C)C[N@H+]1C1(CN)CC1 575581940 352784840 /nfs/dbraw/zinc/78/48/40/352784840.db2.gz AKJROUQHLHDLDX-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1[C@H](C)C[N@@H+]1C1(CN)CC1 575581940 352784842 /nfs/dbraw/zinc/78/48/42/352784842.db2.gz AKJROUQHLHDLDX-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[N@@H+](C2(CN)CC2)[C@H]1C 575581941 352784848 /nfs/dbraw/zinc/78/48/48/352784848.db2.gz AKJROUQHLHDLDX-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[N@H+](C2(CN)CC2)[C@H]1C 575581941 352784849 /nfs/dbraw/zinc/78/48/49/352784849.db2.gz AKJROUQHLHDLDX-YUMQZZPRSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[N@@H+](C2(CN)CC2)[C@@H]1C 575581931 352785428 /nfs/dbraw/zinc/78/54/28/352785428.db2.gz AKJROUQHLHDLDX-HTQZYQBOSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@@H]1C[N@H+](C2(CN)CC2)[C@@H]1C 575581931 352785431 /nfs/dbraw/zinc/78/54/31/352785431.db2.gz AKJROUQHLHDLDX-HTQZYQBOSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1COC[C@@H]1N 575582358 352787385 /nfs/dbraw/zinc/78/73/85/352787385.db2.gz FOOGTLFOHJKFLR-RGOKHQFPSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1COC[C@@H]1N 575582358 352787388 /nfs/dbraw/zinc/78/73/88/352787388.db2.gz FOOGTLFOHJKFLR-RGOKHQFPSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H]1[C@H](C)CN1C[C@@H]1COC[C@@H]1[NH3+] 575582358 352787390 /nfs/dbraw/zinc/78/73/90/352787390.db2.gz FOOGTLFOHJKFLR-RGOKHQFPSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H]1[C@H](C)C[N@@H+]1C[C@@H]1COC[C@H]1N 575582359 352787500 /nfs/dbraw/zinc/78/75/00/352787500.db2.gz FOOGTLFOHJKFLR-UTINFBMNSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1COC[C@H]1N 575582359 352787503 /nfs/dbraw/zinc/78/75/03/352787503.db2.gz FOOGTLFOHJKFLR-UTINFBMNSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@H]1[C@H](C)CN1C[C@@H]1COC[C@H]1[NH3+] 575582359 352787506 /nfs/dbraw/zinc/78/75/06/352787506.db2.gz FOOGTLFOHJKFLR-UTINFBMNSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1C[N@H+](C[C@@H]2COC[C@@H]2N)[C@@H]1C 575582357 352787643 /nfs/dbraw/zinc/78/76/43/352787643.db2.gz FOOGTLFOHJKFLR-KYXWUPHJSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1C[N@@H+](C[C@@H]2COC[C@@H]2N)[C@@H]1C 575582357 352787647 /nfs/dbraw/zinc/78/76/47/352787647.db2.gz FOOGTLFOHJKFLR-KYXWUPHJSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2COC[C@@H]2[NH3+])[C@@H]1C 575582357 352787650 /nfs/dbraw/zinc/78/76/50/352787650.db2.gz FOOGTLFOHJKFLR-KYXWUPHJSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1C[N@H+](C[C@@H]2COC[C@H]2N)[C@@H]1C 575582360 352787751 /nfs/dbraw/zinc/78/77/51/352787751.db2.gz FOOGTLFOHJKFLR-ZYUZMQFOSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1C[N@@H+](C[C@@H]2COC[C@H]2N)[C@@H]1C 575582360 352787755 /nfs/dbraw/zinc/78/77/55/352787755.db2.gz FOOGTLFOHJKFLR-ZYUZMQFOSA-N 1 3 184.283 0.300 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2COC[C@H]2[NH3+])[C@@H]1C 575582360 352787757 /nfs/dbraw/zinc/78/77/57/352787757.db2.gz FOOGTLFOHJKFLR-ZYUZMQFOSA-N 1 3 184.283 0.300 10 0 ACAEHO CC(C)(C[NH3+])N1CC[C@H]2C[C@H]21 575582423 352788476 /nfs/dbraw/zinc/78/84/76/352788476.db2.gz FJXFYPSKIZGKFI-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO CC(C)(C[NH3+])N1CC[C@@H]2C[C@@H]21 575582425 352788621 /nfs/dbraw/zinc/78/86/21/352788621.db2.gz FJXFYPSKIZGKFI-SFYZADRCSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@@]1(C)NC[C@@H](C)[NH3+] 575583083 352791275 /nfs/dbraw/zinc/79/12/75/352791275.db2.gz JPFLMAGWVDRNMS-XLPZGREQSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]1C[C@]1(C)NC[C@@H](C)[NH3+] 575583082 352791338 /nfs/dbraw/zinc/79/13/38/352791338.db2.gz JPFLMAGWVDRNMS-RNJXMRFFSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]([NH3+])CN[C@]1(C)C[C@H]1C 575583080 352791364 /nfs/dbraw/zinc/79/13/64/352791364.db2.gz JPFLMAGWVDRNMS-GJMOJQLCSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]([NH3+])CN[C@@]1(C)C[C@H]1C 575583081 352791490 /nfs/dbraw/zinc/79/14/90/352791490.db2.gz JPFLMAGWVDRNMS-PRJMDXOYSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]([NH3+])CN[C@@]1(C)C[C@@H]1C 575583079 352791496 /nfs/dbraw/zinc/79/14/96/352791496.db2.gz JPFLMAGWVDRNMS-FXQIFTODSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]([NH3+])CN[C@]1(C)C[C@@H]1C 575583076 352791524 /nfs/dbraw/zinc/79/15/24/352791524.db2.gz JPFLMAGWVDRNMS-BIIVOSGPSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]([NH3+])CN[C@]1(C)C[C@H]1C 575583077 352791557 /nfs/dbraw/zinc/79/15/57/352791557.db2.gz JPFLMAGWVDRNMS-BWZBUEFSSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1C[N@H+](CC2(C)CNC2)[C@@H]1C 575583046 352791565 /nfs/dbraw/zinc/79/15/65/352791565.db2.gz IRQYVWPWTPEGAP-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1C[N@@H+](CC2(C)CNC2)[C@@H]1C 575583046 352791567 /nfs/dbraw/zinc/79/15/67/352791567.db2.gz IRQYVWPWTPEGAP-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[N@H+](CC2(C)CNC2)[C@H]1C 575583045 352791622 /nfs/dbraw/zinc/79/16/22/352791622.db2.gz IRQYVWPWTPEGAP-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[N@@H+](CC2(C)CNC2)[C@H]1C 575583045 352791624 /nfs/dbraw/zinc/79/16/24/352791624.db2.gz IRQYVWPWTPEGAP-IUCAKERBSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]([NH3+])CN[C@@]1(C)C[C@H]1C 575583078 352791651 /nfs/dbraw/zinc/79/16/51/352791651.db2.gz JPFLMAGWVDRNMS-CSMHCCOUSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@H]1C[N@H+](CC2(C)CNC2)[C@@H]1C 575583044 352791686 /nfs/dbraw/zinc/79/16/86/352791686.db2.gz IRQYVWPWTPEGAP-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1C[N@@H+](CC2(C)CNC2)[C@@H]1C 575583044 352791688 /nfs/dbraw/zinc/79/16/88/352791688.db2.gz IRQYVWPWTPEGAP-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1[C@H](C)C[N@H+]1CC1(C)CNC1 575583043 352791715 /nfs/dbraw/zinc/79/17/15/352791715.db2.gz IRQYVWPWTPEGAP-BDAKNGLRSA-N 1 3 168.284 0.936 10 0 ACAEHO C1C[NH2+]C[C@H](N2CC[C@H]3C[C@H]32)C1 575583461 352792963 /nfs/dbraw/zinc/79/29/63/352792963.db2.gz LFQKRHAOGATWRB-IVZWLZJFSA-N 1 3 166.268 0.833 10 0 ACAEHO C1C[NH2+]C[C@H](N2CC[C@@H]3C[C@@H]32)C1 575583460 352793056 /nfs/dbraw/zinc/79/30/56/352793056.db2.gz LFQKRHAOGATWRB-BBBLOLIVSA-N 1 3 166.268 0.833 10 0 ACAEHO [NH3+]CCCN1CCC12CCC2 575583532 352793903 /nfs/dbraw/zinc/79/39/03/352793903.db2.gz NLAVFLVDTLNWJO-UHFFFAOYSA-N 1 3 154.257 0.964 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@@H]1C 575584329 352796532 /nfs/dbraw/zinc/79/65/32/352796532.db2.gz PRASRHXJCLQXKZ-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1CN(C[C@H]2CC[NH2+]C2)[C@@H]1C 575584317 352796567 /nfs/dbraw/zinc/79/65/67/352796567.db2.gz PRASRHXJCLQXKZ-AEJSXWLSSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1CN(C[C@@H]2CC[NH2+]C2)[C@H]1C 575584323 352796743 /nfs/dbraw/zinc/79/67/43/352796743.db2.gz PRASRHXJCLQXKZ-LPEHRKFASA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@@H]1C 575584318 352796816 /nfs/dbraw/zinc/79/68/16/352796816.db2.gz PRASRHXJCLQXKZ-BBBLOLIVSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1[C@H](C)CN1C[C@@H]1CC[NH2+]C1 575584321 352796887 /nfs/dbraw/zinc/79/68/87/352796887.db2.gz PRASRHXJCLQXKZ-KXUCPTDWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1[C@H](C)CN1C[C@H]1CC[NH2+]C1 575584344 352796906 /nfs/dbraw/zinc/79/69/06/352796906.db2.gz PRASRHXJCLQXKZ-UTLUCORTSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1CN(C[C@@H]2CC[NH2+]C2)[C@@H]1C 575584320 352796932 /nfs/dbraw/zinc/79/69/32/352796932.db2.gz PRASRHXJCLQXKZ-IVZWLZJFSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H]1CN(C[C@H]2CC[NH2+]C2)[C@H]1C 575584319 352796997 /nfs/dbraw/zinc/79/69/97/352796997.db2.gz PRASRHXJCLQXKZ-GUBZILKMSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H](F)CC[N@@H+]1CC[C@H](N)C1 575584718 352798298 /nfs/dbraw/zinc/79/82/98/352798298.db2.gz XRGSGOJBJYHNPF-SFYZADRCSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@@H](F)CC[N@H+]1CC[C@H](N)C1 575584718 352798299 /nfs/dbraw/zinc/79/82/99/352798299.db2.gz XRGSGOJBJYHNPF-SFYZADRCSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@H](F)CC[N@@H+]1CC[C@H](N)C1 575584720 352798359 /nfs/dbraw/zinc/79/83/59/352798359.db2.gz XRGSGOJBJYHNPF-YUMQZZPRSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@H](F)CC[N@H+]1CC[C@H](N)C1 575584720 352798361 /nfs/dbraw/zinc/79/83/61/352798361.db2.gz XRGSGOJBJYHNPF-YUMQZZPRSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@H](F)CC[N@@H+]1CC[C@@H](N)C1 575584714 352798470 /nfs/dbraw/zinc/79/84/70/352798470.db2.gz XRGSGOJBJYHNPF-JGVFFNPUSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@H](F)CC[N@H+]1CC[C@@H](N)C1 575584714 352798472 /nfs/dbraw/zinc/79/84/72/352798472.db2.gz XRGSGOJBJYHNPF-JGVFFNPUSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@@H](F)CC[N@@H+]1CC[C@@H](N)C1 575584713 352798535 /nfs/dbraw/zinc/79/85/35/352798535.db2.gz XRGSGOJBJYHNPF-HTQZYQBOSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@@H](F)CC[N@H+]1CC[C@@H](N)C1 575584713 352798537 /nfs/dbraw/zinc/79/85/37/352798537.db2.gz XRGSGOJBJYHNPF-HTQZYQBOSA-N 1 3 160.236 0.768 10 0 ACAEHO C[C@@H]1C[C@]1(C)[NH2+]CC1CNC1 575584866 352798867 /nfs/dbraw/zinc/79/88/67/352798867.db2.gz XYLRDLPOUBHZCS-APPZFPTMSA-N 1 3 154.257 0.594 10 0 ACAEHO CC1(C)CC[N@@H+]1C[C@@H]1COC[C@@H]1N 575584821 352798883 /nfs/dbraw/zinc/79/88/83/352798883.db2.gz RJDLWYSUJVKNGW-BDAKNGLRSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)CC[N@H+]1C[C@@H]1COC[C@@H]1N 575584821 352798884 /nfs/dbraw/zinc/79/88/84/352798884.db2.gz RJDLWYSUJVKNGW-BDAKNGLRSA-N 1 3 184.283 0.444 10 0 ACAEHO [NH3+]CCCN1C[C@@H]2CCC[C@H]21 575584861 352798930 /nfs/dbraw/zinc/79/89/30/352798930.db2.gz XVMQDZQCKKUFSH-DTWKUNHWSA-N 1 3 154.257 0.820 10 0 ACAEHO [NH3+]CCCN1C[C@H]2CCC[C@H]21 575584863 352799105 /nfs/dbraw/zinc/79/91/05/352799105.db2.gz XVMQDZQCKKUFSH-RKDXNWHRSA-N 1 3 154.257 0.820 10 0 ACAEHO CC1(C)CC[N@@H+]1C[C@H]1COC[C@@H]1N 575584823 352799044 /nfs/dbraw/zinc/79/90/44/352799044.db2.gz RJDLWYSUJVKNGW-IUCAKERBSA-N 1 3 184.283 0.444 10 0 ACAEHO CC1(C)CC[N@H+]1C[C@H]1COC[C@@H]1N 575584823 352799047 /nfs/dbraw/zinc/79/90/47/352799047.db2.gz RJDLWYSUJVKNGW-IUCAKERBSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1C[C@@]1(C)NCC1C[NH2+]C1 575584869 352799076 /nfs/dbraw/zinc/79/90/76/352799076.db2.gz XYLRDLPOUBHZCS-VXNVDRBHSA-N 1 3 154.257 0.594 10 0 ACAEHO C[C@@H]1C[C@@]1(C)[NH2+]CC1CNC1 575584869 352799078 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ACAEHO C/C=C/[C@@H](N)[C@@H]1CC[N@H+](C)C1 575592244 352836478 /nfs/dbraw/zinc/83/64/78/352836478.db2.gz ZUZGLUPYJDHEBZ-HUGTUPKYSA-N 1 3 154.257 0.842 10 0 ACAEHO C/C=C/[C@@H](N)[C@@H]1CC[N@@H+](C)C1 575592244 352836481 /nfs/dbraw/zinc/83/64/81/352836481.db2.gz ZUZGLUPYJDHEBZ-HUGTUPKYSA-N 1 3 154.257 0.842 10 0 ACAEHO C/C=C/[C@@H]([NH3+])[C@@H]1CCN(C)C1 575592244 352836484 /nfs/dbraw/zinc/83/64/84/352836484.db2.gz ZUZGLUPYJDHEBZ-HUGTUPKYSA-N 1 3 154.257 0.842 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@@H]1COC[C@H]1N 575592271 352837198 /nfs/dbraw/zinc/83/71/98/352837198.db2.gz PTPPCBUQUDQTLI-IWSPIJDZSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@@H]1COC[C@H]1N 575592271 352837200 /nfs/dbraw/zinc/83/72/00/352837200.db2.gz PTPPCBUQUDQTLI-IWSPIJDZSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CCN1C[C@@H]1COC[C@H]1[NH3+] 575592271 352837203 /nfs/dbraw/zinc/83/72/03/352837203.db2.gz PTPPCBUQUDQTLI-IWSPIJDZSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@H]1COC[C@@H]1N 575592272 352837275 /nfs/dbraw/zinc/83/72/75/352837275.db2.gz PTPPCBUQUDQTLI-VGMNWLOBSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@H]1COC[C@@H]1N 575592272 352837278 /nfs/dbraw/zinc/83/72/78/352837278.db2.gz PTPPCBUQUDQTLI-VGMNWLOBSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CCN1C[C@H]1COC[C@@H]1[NH3+] 575592272 352837281 /nfs/dbraw/zinc/83/72/81/352837281.db2.gz PTPPCBUQUDQTLI-VGMNWLOBSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@@H]1COC[C@@H]1N 575592268 352837515 /nfs/dbraw/zinc/83/75/15/352837515.db2.gz PTPPCBUQUDQTLI-HLTSFMKQSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@@H]1COC[C@@H]1N 575592268 352837518 /nfs/dbraw/zinc/83/75/18/352837518.db2.gz PTPPCBUQUDQTLI-HLTSFMKQSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CCN1C[C@@H]1COC[C@@H]1[NH3+] 575592268 352837520 /nfs/dbraw/zinc/83/75/20/352837520.db2.gz PTPPCBUQUDQTLI-HLTSFMKQSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@H]1COC[C@H]1N 575592269 352837675 /nfs/dbraw/zinc/83/76/75/352837675.db2.gz PTPPCBUQUDQTLI-HRDYMLBCSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@H]1COC[C@H]1N 575592269 352837677 /nfs/dbraw/zinc/83/76/77/352837677.db2.gz PTPPCBUQUDQTLI-HRDYMLBCSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@@H]1CCN1C[C@H]1COC[C@H]1[NH3+] 575592269 352837680 /nfs/dbraw/zinc/83/76/80/352837680.db2.gz PTPPCBUQUDQTLI-HRDYMLBCSA-N 1 3 170.256 0.054 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CN1C1CCC1 575593049 352840571 /nfs/dbraw/zinc/84/05/71/352840571.db2.gz VKBCLRJUDUDSSV-YUMQZZPRSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CN1C1CCC1 575593047 352840690 /nfs/dbraw/zinc/84/06/90/352840690.db2.gz VKBCLRJUDUDSSV-JGVFFNPUSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CN1C1CCC1 575593046 352840838 /nfs/dbraw/zinc/84/08/38/352840838.db2.gz VKBCLRJUDUDSSV-HTQZYQBOSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CN1C1CCC1 575593048 352841163 /nfs/dbraw/zinc/84/11/63/352841163.db2.gz VKBCLRJUDUDSSV-SFYZADRCSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1CN(C2CC([NH3+])C2)[C@@H]1C 575593090 352841204 /nfs/dbraw/zinc/84/12/04/352841204.db2.gz WHVJKAPLVQLKPY-PZYMCFGQSA-N 1 3 154.257 0.816 10 0 ACAEHO C[C@H]1CN(C2CC([NH3+])C2)[C@H]1C 575593088 352841268 /nfs/dbraw/zinc/84/12/68/352841268.db2.gz WHVJKAPLVQLKPY-MSIFESELSA-N 1 3 154.257 0.816 10 0 ACAEHO C[C@H]1CN(C2CC([NH3+])C2)[C@@H]1C 575593089 352841310 /nfs/dbraw/zinc/84/13/10/352841310.db2.gz WHVJKAPLVQLKPY-MZUZGICHSA-N 1 3 154.257 0.816 10 0 ACAEHO C[C@H]1[C@H](C)CN1C1CC([NH3+])C1 575593087 352841342 /nfs/dbraw/zinc/84/13/42/352841342.db2.gz WHVJKAPLVQLKPY-DKATWDMPSA-N 1 3 154.257 0.816 10 0 ACAEHO C[C@@H]1CCN1CCC1([NH3+])CC1 575593204 352841739 /nfs/dbraw/zinc/84/17/39/352841739.db2.gz YNPXOQFEAGFYRI-MRVPVSSYSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@H]1CCN1CCC1([NH3+])CC1 575593205 352842244 /nfs/dbraw/zinc/84/22/44/352842244.db2.gz YNPXOQFEAGFYRI-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1[C@@H]1CC[C@H]1O 575593375 352842672 /nfs/dbraw/zinc/84/26/72/352842672.db2.gz CPIXERZZGXBQAL-ZYUZMQFOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1[C@@H]1CC[C@H]1O 575593375 352842674 /nfs/dbraw/zinc/84/26/74/352842674.db2.gz CPIXERZZGXBQAL-ZYUZMQFOSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1[C@H]1CC[C@H]1O 575593374 352842682 /nfs/dbraw/zinc/84/26/82/352842682.db2.gz CPIXERZZGXBQAL-XFWSIPNHSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1[C@H]1CC[C@H]1O 575593374 352842685 /nfs/dbraw/zinc/84/26/85/352842685.db2.gz CPIXERZZGXBQAL-XFWSIPNHSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1[C@H]1CC[C@@H]1O 575593370 352842724 /nfs/dbraw/zinc/84/27/24/352842724.db2.gz CPIXERZZGXBQAL-KATARQTJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1[C@H]1CC[C@@H]1O 575593370 352842727 /nfs/dbraw/zinc/84/27/27/352842727.db2.gz CPIXERZZGXBQAL-KATARQTJSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1[C@@H]1CC[C@@H]1O 575593371 352842919 /nfs/dbraw/zinc/84/29/19/352842919.db2.gz CPIXERZZGXBQAL-RGOKHQFPSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1[C@@H]1CC[C@@H]1O 575593371 352842921 /nfs/dbraw/zinc/84/29/21/352842921.db2.gz CPIXERZZGXBQAL-RGOKHQFPSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@@H+]1[C@@H]1CC[C@H]1O 575593372 352842934 /nfs/dbraw/zinc/84/29/34/352842934.db2.gz CPIXERZZGXBQAL-SGIHWFKDSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1CC[C@@H](N)C[N@H+]1[C@@H]1CC[C@H]1O 575593372 352842937 /nfs/dbraw/zinc/84/29/37/352842937.db2.gz CPIXERZZGXBQAL-SGIHWFKDSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@@H+]1[C@@H]1CC[C@H]1O 575593369 352842996 /nfs/dbraw/zinc/84/29/96/352842996.db2.gz CPIXERZZGXBQAL-AXTSPUMRSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1CC[C@H](N)C[N@H+]1[C@@H]1CC[C@H]1O 575593369 352842998 /nfs/dbraw/zinc/84/29/98/352842998.db2.gz CPIXERZZGXBQAL-AXTSPUMRSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@@H+]1[C@@H]1CC[C@H]1O 575593373 352843045 /nfs/dbraw/zinc/84/30/45/352843045.db2.gz CPIXERZZGXBQAL-UTINFBMNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[C@H](N)C[N@H+]1[C@@H]1CC[C@H]1O 575593373 352843049 /nfs/dbraw/zinc/84/30/49/352843049.db2.gz CPIXERZZGXBQAL-UTINFBMNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CCN([C@@H]2CC[C@H]2O)C1 575593408 352843535 /nfs/dbraw/zinc/84/35/35/352843535.db2.gz DKGSGMPMCNBOJD-AXTSPUMRSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@]1(C[NH3+])CCN([C@@H]2CC[C@H]2O)C1 575593426 352843598 /nfs/dbraw/zinc/84/35/98/352843598.db2.gz DVGRSEYAVIUGGL-BBBLOLIVSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@@]1(CN)CC[N@@H+]([C@@H]2CC[C@H]2O)C1 575593426 352843599 /nfs/dbraw/zinc/84/35/99/352843599.db2.gz DVGRSEYAVIUGGL-BBBLOLIVSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@@]1(CN)CC[N@H+]([C@@H]2CC[C@H]2O)C1 575593426 352843601 /nfs/dbraw/zinc/84/36/01/352843601.db2.gz DVGRSEYAVIUGGL-BBBLOLIVSA-N 1 3 184.283 0.180 10 0 ACAEHO C[C@@H]([NH3+])[C@H]1CCN([C@@H]2CC[C@H]2O)C1 575593409 352843621 /nfs/dbraw/zinc/84/36/21/352843621.db2.gz DKGSGMPMCNBOJD-UTINFBMNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CCN([C@@H]2CC[C@H]2O)C1 575593410 352843650 /nfs/dbraw/zinc/84/36/50/352843650.db2.gz DKGSGMPMCNBOJD-ZYUZMQFOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@@H+]([C@@H]2CC[C@H]2O)C1 575593544 352844153 /nfs/dbraw/zinc/84/41/53/352844153.db2.gz ICNUDZOKNVOFCP-SGIHWFKDSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@@H](N)C[N@H+]([C@@H]2CC[C@H]2O)C1 575593544 352844155 /nfs/dbraw/zinc/84/41/55/352844155.db2.gz ICNUDZOKNVOFCP-SGIHWFKDSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1[C@@H]1CC[C@H]1O 575593608 352844180 /nfs/dbraw/zinc/84/41/80/352844180.db2.gz KCHNLZFLKSTBFE-AXTSPUMRSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@H+]1[C@@H]1CC[C@H]1O 575593608 352844185 /nfs/dbraw/zinc/84/41/85/352844185.db2.gz KCHNLZFLKSTBFE-AXTSPUMRSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1[C@@H]1CC[C@H]1O 575593610 352844398 /nfs/dbraw/zinc/84/43/98/352844398.db2.gz KCHNLZFLKSTBFE-UTINFBMNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1[C@@H]1CC[C@H]1O 575593610 352844399 /nfs/dbraw/zinc/84/43/99/352844399.db2.gz KCHNLZFLKSTBFE-UTINFBMNSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@H](N)C[N@H+]([C@@H]2CC[C@H]2O)C1 575593543 352844408 /nfs/dbraw/zinc/84/44/08/352844408.db2.gz ICNUDZOKNVOFCP-AXTSPUMRSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@@H+]1[C@@H]1CC[C@H]1O 575593609 352844451 /nfs/dbraw/zinc/84/44/51/352844451.db2.gz KCHNLZFLKSTBFE-SGIHWFKDSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@H+]1[C@@H]1CC[C@H]1O 575593609 352844452 /nfs/dbraw/zinc/84/44/52/352844452.db2.gz KCHNLZFLKSTBFE-SGIHWFKDSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@@H+]([C@@H]2CC[C@H]2O)C1 575593545 352844472 /nfs/dbraw/zinc/84/44/72/352844472.db2.gz ICNUDZOKNVOFCP-ZYUZMQFOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@@H]1C[C@@H](N)C[N@H+]([C@@H]2CC[C@H]2O)C1 575593545 352844473 /nfs/dbraw/zinc/84/44/73/352844473.db2.gz ICNUDZOKNVOFCP-ZYUZMQFOSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CN([C@@H]2CC[C@H]2O)CC[C@H]1[NH3+] 575593943 352846345 /nfs/dbraw/zinc/84/63/45/352846345.db2.gz UNDKCNAUBXAHGM-SGIHWFKDSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CN([C@@H]2CC[C@H]2O)CC[C@@H]1[NH3+] 575593942 352846420 /nfs/dbraw/zinc/84/64/20/352846420.db2.gz UNDKCNAUBXAHGM-AXTSPUMRSA-N 1 3 184.283 0.179 10 0 ACAEHO C[C@H]1CNCC[N@@H+]([C@@H]2CC[C@H]2O)C1 575594093 352847223 /nfs/dbraw/zinc/84/72/23/352847223.db2.gz VTJNHSRZPXKCMQ-IVZWLZJFSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@H]1CNCC[N@H+]([C@@H]2CC[C@H]2O)C1 575594093 352847224 /nfs/dbraw/zinc/84/72/24/352847224.db2.gz VTJNHSRZPXKCMQ-IVZWLZJFSA-N 1 3 184.283 0.051 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CCN1[C@@H]1CC[C@H]1O 575594092 352847360 /nfs/dbraw/zinc/84/73/60/352847360.db2.gz VTJIPHPNHDKYAX-UTINFBMNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CCN1[C@@H]1CC[C@H]1O 575594090 352847582 /nfs/dbraw/zinc/84/75/82/352847582.db2.gz VTJIPHPNHDKYAX-AXTSPUMRSA-N 1 3 184.283 0.321 10 0 ACAEHO CC1(C)CCN1C1CC([NH3+])C1 575594195 352848181 /nfs/dbraw/zinc/84/81/81/352848181.db2.gz DMIDMFJTCICNLW-UHFFFAOYSA-N 1 3 154.257 0.960 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@@H+]1[C@@H]1CC[C@H]1O 575594324 352848891 /nfs/dbraw/zinc/84/88/91/352848891.db2.gz YVJCBMDYRRRASY-UTINFBMNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1[C@@H](N)CCC[N@H+]1[C@@H]1CC[C@H]1O 575594324 352848893 /nfs/dbraw/zinc/84/88/93/352848893.db2.gz YVJCBMDYRRRASY-UTINFBMNSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@@H+]1[C@@H]1CC[C@H]1O 575594322 352848918 /nfs/dbraw/zinc/84/89/18/352848918.db2.gz YVJCBMDYRRRASY-AXTSPUMRSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1[C@@H](N)CCC[N@H+]1[C@@H]1CC[C@H]1O 575594322 352848920 /nfs/dbraw/zinc/84/89/20/352848920.db2.gz YVJCBMDYRRRASY-AXTSPUMRSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@@]1(C)COC[C@H]1N 575594268 352848929 /nfs/dbraw/zinc/84/89/29/352848929.db2.gz FZOCMBQEJPFWQB-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@@]1(C)COC[C@H]1N 575594268 352848930 /nfs/dbraw/zinc/84/89/30/352848930.db2.gz FZOCMBQEJPFWQB-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@@]1(C)COC[C@H]1[NH3+] 575594268 352848931 /nfs/dbraw/zinc/84/89/31/352848931.db2.gz FZOCMBQEJPFWQB-BBBLOLIVSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@]1(C)COC[C@H]1N 575594270 352848934 /nfs/dbraw/zinc/84/89/34/352848934.db2.gz FZOCMBQEJPFWQB-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@]1(C)COC[C@H]1N 575594270 352848935 /nfs/dbraw/zinc/84/89/35/352848935.db2.gz FZOCMBQEJPFWQB-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@]1(C)COC[C@H]1[NH3+] 575594270 352848936 /nfs/dbraw/zinc/84/89/36/352848936.db2.gz FZOCMBQEJPFWQB-OPRDCNLKSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@@]1(C)COC[C@@H]1N 575594271 352848958 /nfs/dbraw/zinc/84/89/58/352848958.db2.gz FZOCMBQEJPFWQB-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@@]1(C)COC[C@@H]1N 575594271 352848959 /nfs/dbraw/zinc/84/89/59/352848959.db2.gz FZOCMBQEJPFWQB-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@@]1(C)COC[C@@H]1[NH3+] 575594271 352848961 /nfs/dbraw/zinc/84/89/61/352848961.db2.gz FZOCMBQEJPFWQB-UTLUCORTSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@@H+]1C[C@]1(C)COC[C@@H]1N 575594269 352848997 /nfs/dbraw/zinc/84/89/97/352848997.db2.gz FZOCMBQEJPFWQB-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CC[N@H+]1C[C@]1(C)COC[C@@H]1N 575594269 352848998 /nfs/dbraw/zinc/84/89/98/352848998.db2.gz FZOCMBQEJPFWQB-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@@H]1CCN1C[C@]1(C)COC[C@@H]1[NH3+] 575594269 352849000 /nfs/dbraw/zinc/84/90/00/352849000.db2.gz FZOCMBQEJPFWQB-KXUCPTDWSA-N 1 3 184.283 0.444 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@@H+]1[C@@H]1CC[C@H]1O 575594323 352849070 /nfs/dbraw/zinc/84/90/70/352849070.db2.gz YVJCBMDYRRRASY-SGIHWFKDSA-N 1 3 184.283 0.321 10 0 ACAEHO C[C@H]1[C@H](N)CCC[N@H+]1[C@@H]1CC[C@H]1O 575594323 352849071 /nfs/dbraw/zinc/84/90/71/352849071.db2.gz YVJCBMDYRRRASY-SGIHWFKDSA-N 1 3 184.283 0.321 10 0 ACAEHO CC[NH2+][C@H](C)[C@@H]1CCCNC1 575594446 352849629 /nfs/dbraw/zinc/84/96/29/352849629.db2.gz IPWRVPVRLAMQOI-RKDXNWHRSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@@]1(N)CC[N@@H+]([C@@H]2CCC[C@H]2O)C1 575594397 352849785 /nfs/dbraw/zinc/84/97/85/352849785.db2.gz HHUWJKQSAHVNDP-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO C[C@@]1(N)CC[N@H+]([C@@H]2CCC[C@H]2O)C1 575594397 352849787 /nfs/dbraw/zinc/84/97/87/352849787.db2.gz HHUWJKQSAHVNDP-OPRDCNLKSA-N 1 3 184.283 0.323 10 0 ACAEHO CC[NH2+][C@@H](C)[C@@H]1CCCNC1 575594443 352849843 /nfs/dbraw/zinc/84/98/43/352849843.db2.gz IPWRVPVRLAMQOI-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+][C@H](C)[C@H]1CCCNC1 575594442 352849854 /nfs/dbraw/zinc/84/98/54/352849854.db2.gz IPWRVPVRLAMQOI-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[NH2+][C@@H](C)[C@H]1CCCNC1 575594445 352849873 /nfs/dbraw/zinc/84/98/73/352849873.db2.gz IPWRVPVRLAMQOI-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO C1C[C@H]2C[N@@H+](CC3CNC3)[C@H]2C1 575595093 352852430 /nfs/dbraw/zinc/85/24/30/352852430.db2.gz UYGAOVSNEYMBLP-UWVGGRQHSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]2C[N@H+](CC3CNC3)[C@H]2C1 575595093 352852432 /nfs/dbraw/zinc/85/24/32/352852432.db2.gz UYGAOVSNEYMBLP-UWVGGRQHSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H]2C[N@@H+](CC3CNC3)[C@@H]2C1 575595092 352852549 /nfs/dbraw/zinc/85/25/49/352852549.db2.gz UYGAOVSNEYMBLP-NXEZZACHSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@@H]2C[N@H+](CC3CNC3)[C@@H]2C1 575595092 352852551 /nfs/dbraw/zinc/85/25/51/352852551.db2.gz UYGAOVSNEYMBLP-NXEZZACHSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]2C[N@@H+](CC3CNC3)[C@@H]2C1 575595094 352852613 /nfs/dbraw/zinc/85/26/13/352852613.db2.gz UYGAOVSNEYMBLP-VHSXEESVSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]2C[N@H+](CC3CNC3)[C@@H]2C1 575595094 352852617 /nfs/dbraw/zinc/85/26/17/352852617.db2.gz UYGAOVSNEYMBLP-VHSXEESVSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]2[C@H](C1)C[N@H+]2CC1CNC1 575595095 352852887 /nfs/dbraw/zinc/85/28/87/352852887.db2.gz UYGAOVSNEYMBLP-ZJUUUORDSA-N 1 3 166.268 0.690 10 0 ACAEHO C1C[C@H]2[C@H](C1)C[N@@H+]2CC1CNC1 575595095 352852889 /nfs/dbraw/zinc/85/28/89/352852889.db2.gz UYGAOVSNEYMBLP-ZJUUUORDSA-N 1 3 166.268 0.690 10 0 ACAEHO NC1CC([N@H+]2C[C@H]3CCC[C@@H]32)C1 575595167 352853383 /nfs/dbraw/zinc/85/33/83/352853383.db2.gz WONDWERYKWJRBM-WOOKNIGNSA-N 1 3 166.268 0.960 10 0 ACAEHO NC1CC([N@@H+]2C[C@@H]3CCC[C@H]32)C1 575595164 352853365 /nfs/dbraw/zinc/85/33/65/352853365.db2.gz WONDWERYKWJRBM-AUXWQGHOSA-N 1 3 166.268 0.960 10 0 ACAEHO NC1CC([N@H+]2C[C@@H]3CCC[C@H]32)C1 575595164 352853367 /nfs/dbraw/zinc/85/33/67/352853367.db2.gz WONDWERYKWJRBM-AUXWQGHOSA-N 1 3 166.268 0.960 10 0 ACAEHO NC1CC([N@@H+]2C[C@H]3CCC[C@@H]32)C1 575595167 352853379 /nfs/dbraw/zinc/85/33/79/352853379.db2.gz WONDWERYKWJRBM-WOOKNIGNSA-N 1 3 166.268 0.960 10 0 ACAEHO NC1CC([N@@H+]2C[C@H]3CCC[C@H]32)C1 575595166 352853560 /nfs/dbraw/zinc/85/35/60/352853560.db2.gz WONDWERYKWJRBM-SEZDTBSWSA-N 1 3 166.268 0.960 10 0 ACAEHO NC1CC([N@H+]2C[C@H]3CCC[C@H]32)C1 575595166 352853563 /nfs/dbraw/zinc/85/35/63/352853563.db2.gz WONDWERYKWJRBM-SEZDTBSWSA-N 1 3 166.268 0.960 10 0 ACAEHO C1CC2(C1)CC[N@H+]2CC1CNC1 575595232 352853723 /nfs/dbraw/zinc/85/37/23/352853723.db2.gz YJQCJIBLBIQLTD-UHFFFAOYSA-N 1 3 166.268 0.834 10 0 ACAEHO C1CC2(C1)CC[N@@H+]2CC1CNC1 575595232 352853724 /nfs/dbraw/zinc/85/37/24/352853724.db2.gz YJQCJIBLBIQLTD-UHFFFAOYSA-N 1 3 166.268 0.834 10 0 ACAEHO NC[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575595212 352853755 /nfs/dbraw/zinc/85/37/55/352853755.db2.gz XRJOICFAMVOCCS-KATARQTJSA-N 1 3 166.268 0.818 10 0 ACAEHO NC[C@@H]1CC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]21 575595211 352853857 /nfs/dbraw/zinc/85/38/57/352853857.db2.gz XRJOICFAMVOCCS-AATLWQCWSA-N 1 3 166.268 0.818 10 0 ACAEHO NC[C@@H]1CC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575595211 352853859 /nfs/dbraw/zinc/85/38/59/352853859.db2.gz XRJOICFAMVOCCS-AATLWQCWSA-N 1 3 166.268 0.818 10 0 ACAEHO NC1CC([N@@H+]2C[C@@H]3CCC[C@@H]32)C1 575595165 352854006 /nfs/dbraw/zinc/85/40/06/352854006.db2.gz WONDWERYKWJRBM-NFTFJBJSSA-N 1 3 166.268 0.960 10 0 ACAEHO NC1CC([N@H+]2C[C@@H]3CCC[C@@H]32)C1 575595165 352854008 /nfs/dbraw/zinc/85/40/08/352854008.db2.gz WONDWERYKWJRBM-NFTFJBJSSA-N 1 3 166.268 0.960 10 0 ACAEHO N[C@@H](C[NH3+])[C@H]1CC12CC2 575595244 352854258 /nfs/dbraw/zinc/85/42/58/352854258.db2.gz YQTQRAVKAMGZKP-RITPCOANSA-N 1 3 126.203 0.073 10 0 ACAEHO [NH3+]C1CCN(CC2(O)CCC2)CC1 575595353 352854613 /nfs/dbraw/zinc/85/46/13/352854613.db2.gz DQOVWSBNAVTKIG-UHFFFAOYSA-N 1 3 184.283 0.325 10 0 ACAEHO N[C@H](C[NH3+])[C@H]1CC12CC2 575595243 352854685 /nfs/dbraw/zinc/85/46/85/352854685.db2.gz YQTQRAVKAMGZKP-PHDIDXHHSA-N 1 3 126.203 0.073 10 0 ACAEHO N[C@H](C[NH3+])[C@@H]1CC12CC2 575595242 352854780 /nfs/dbraw/zinc/85/47/80/352854780.db2.gz YQTQRAVKAMGZKP-NTSWFWBYSA-N 1 3 126.203 0.073 10 0 ACAEHO N[C@@H](C[NH3+])[C@@H]1CC12CC2 575595245 352854796 /nfs/dbraw/zinc/85/47/96/352854796.db2.gz YQTQRAVKAMGZKP-WDSKDSINSA-N 1 3 126.203 0.073 10 0 ACAEHO [NH3+]C[C@]1(F)CN2CCC1CC2 575622025 352867471 /nfs/dbraw/zinc/86/74/71/352867471.db2.gz CVJSJUDOAWFRHF-QMMMGPOBSA-N 1 3 158.220 0.379 10 0 ACAEHO [NH3+]C[C@@]1(F)CN2CCC1CC2 575622020 352867524 /nfs/dbraw/zinc/86/75/24/352867524.db2.gz CVJSJUDOAWFRHF-MRVPVSSYSA-N 1 3 158.220 0.379 10 0 ACAEHO NCC1(F)C[C@@H]2CC[C@H](C1)[NH2+]2 575622414 352867673 /nfs/dbraw/zinc/86/76/73/352867673.db2.gz LFUHJYPZVUZFEB-DHBOJHSNSA-N 1 3 158.220 0.568 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](C)N(C)C 643454645 352953294 /nfs/dbraw/zinc/95/32/94/352953294.db2.gz CZBWENUXYUAPAK-GMTAPVOTSA-N 1 3 199.342 0.524 10 0 ACAEHO COCCCN[C@H]1C[NH2+]CC[C@H]1C 643454382 352953477 /nfs/dbraw/zinc/95/34/77/352953477.db2.gz AGFDWDVPPXTZJF-ZJUUUORDSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@@H](CN[C@H]1C[NH2+]CC[C@H]1C)N(C)C 643454648 352953620 /nfs/dbraw/zinc/95/36/20/352953620.db2.gz CZBWENUXYUAPAK-VWYCJHECSA-N 1 3 199.342 0.524 10 0 ACAEHO COCCCN[C@@H]1C[NH2+]CC[C@H]1C 643454379 352953635 /nfs/dbraw/zinc/95/36/35/352953635.db2.gz AGFDWDVPPXTZJF-NXEZZACHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N(C)C 643454647 352953720 /nfs/dbraw/zinc/95/37/20/352953720.db2.gz CZBWENUXYUAPAK-OUAUKWLOSA-N 1 3 199.342 0.524 10 0 ACAEHO COCCCN[C@H]1C[NH2+]CC[C@@H]1C 643454380 352953767 /nfs/dbraw/zinc/95/37/67/352953767.db2.gz AGFDWDVPPXTZJF-UWVGGRQHSA-N 1 3 186.299 0.611 10 0 ACAEHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](C)N(C)C 643454646 352953831 /nfs/dbraw/zinc/95/38/31/352953831.db2.gz CZBWENUXYUAPAK-MXWKQRLJSA-N 1 3 199.342 0.524 10 0 ACAEHO COCCCN[C@@H]1C[NH2+]CC[C@@H]1C 643454381 352953859 /nfs/dbraw/zinc/95/38/59/352953859.db2.gz AGFDWDVPPXTZJF-VHSXEESVSA-N 1 3 186.299 0.611 10 0 ACAEHO C1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)CN1 643493592 352967296 /nfs/dbraw/zinc/96/72/96/352967296.db2.gz 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C[NH2+]CCCN[C@@H]1CN(C)C[C@@H]1C 643498370 352971396 /nfs/dbraw/zinc/97/13/96/352971396.db2.gz JYBZTYQIGYQDDS-VHSXEESVSA-N 1 3 185.315 0.136 10 0 ACAEHO C[NH2+]CCCN[C@H]1CN(C)C[C@@H]1C 643498369 352971505 /nfs/dbraw/zinc/97/15/05/352971505.db2.gz JYBZTYQIGYQDDS-UWVGGRQHSA-N 1 3 185.315 0.136 10 0 ACAEHO CC[NH2+]CCCN[C@H]1CN(C)C[C@H]1C 643498923 352972821 /nfs/dbraw/zinc/97/28/21/352972821.db2.gz WXIIDHPKIIHBRU-MNOVXSKESA-N 1 3 199.342 0.526 10 0 ACAEHO CC[NH2+]CCCN[C@@H]1CN(C)C[C@H]1C 643498922 352973027 /nfs/dbraw/zinc/97/30/27/352973027.db2.gz WXIIDHPKIIHBRU-GHMZBOCLSA-N 1 3 199.342 0.526 10 0 ACAEHO CC[NH2+]CCCN[C@H]1CN(C)C[C@@H]1C 643498924 352973242 /nfs/dbraw/zinc/97/32/42/352973242.db2.gz WXIIDHPKIIHBRU-QWRGUYRKSA-N 1 3 199.342 0.526 10 0 ACAEHO CC[NH2+]CCCN[C@@H]1CN(C)C[C@@H]1C 643498925 352973301 /nfs/dbraw/zinc/97/33/01/352973301.db2.gz WXIIDHPKIIHBRU-WDEREUQCSA-N 1 3 199.342 0.526 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCNC1)[C@H]1C[C@H]1C 643499685 352973710 /nfs/dbraw/zinc/97/37/10/352973710.db2.gz HDZLDJADTBJKMI-KATARQTJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCNC1 643499681 352974360 /nfs/dbraw/zinc/97/43/60/352974360.db2.gz HDZLDJADTBJKMI-IMSYWVGJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[NH2+]CCN[C@H](C)[C@@H]1C[C@H]1C 643504651 352976625 /nfs/dbraw/zinc/97/66/25/352976625.db2.gz UJFKZOMFMKYYHQ-IWSPIJDZSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+]CCN[C@H](C)[C@H]1C[C@H]1C 643504650 352976791 /nfs/dbraw/zinc/97/67/91/352976791.db2.gz UJFKZOMFMKYYHQ-HLTSFMKQSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+]CCN[C@H](C)[C@@H]1C[C@@H]1C 643504649 352977016 /nfs/dbraw/zinc/97/70/16/352977016.db2.gz UJFKZOMFMKYYHQ-DJLDLDEBSA-N 1 3 156.273 0.840 10 0 ACAEHO C[NH2+]CCN[C@H](C)[C@H]1C[C@@H]1C 643504652 352977128 /nfs/dbraw/zinc/97/71/28/352977128.db2.gz UJFKZOMFMKYYHQ-YIZRAAEISA-N 1 3 156.273 0.840 10 0 ACAEHO CC[NH2+]CCN[C@H]1CN(C)C[C@@H]1C 643505233 352977554 /nfs/dbraw/zinc/97/75/54/352977554.db2.gz MQLIYFBCYPDYQZ-UWVGGRQHSA-N 1 3 185.315 0.136 10 0 ACAEHO CC[NH2+]CCN[C@@H]1CN(C)C[C@H]1C 643505232 352977631 /nfs/dbraw/zinc/97/76/31/352977631.db2.gz MQLIYFBCYPDYQZ-NXEZZACHSA-N 1 3 185.315 0.136 10 0 ACAEHO CC[NH2+]CCN[C@H]1CN(C)C[C@H]1C 643505235 352977765 /nfs/dbraw/zinc/97/77/65/352977765.db2.gz MQLIYFBCYPDYQZ-ZJUUUORDSA-N 1 3 185.315 0.136 10 0 ACAEHO CC[NH2+]CCN[C@@H]1CN(C)C[C@@H]1C 643505234 352978003 /nfs/dbraw/zinc/97/80/03/352978003.db2.gz MQLIYFBCYPDYQZ-VHSXEESVSA-N 1 3 185.315 0.136 10 0 ACAEHO C[C@@H]1CN(C)C[C@H]1NC[C@@H]1CCC[NH2+]1 643505695 352978690 /nfs/dbraw/zinc/97/86/90/352978690.db2.gz VGRDRSCHQDBCQI-OUAUKWLOSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H]1CCC[NH2+]1 643505696 352978713 /nfs/dbraw/zinc/97/87/13/352978713.db2.gz VGRDRSCHQDBCQI-VWYCJHECSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H]1NC[C@H]1CCC[NH2+]1 643505694 352978951 /nfs/dbraw/zinc/97/89/51/352978951.db2.gz VGRDRSCHQDBCQI-MXWKQRLJSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CN(C)C[C@H]1NC[C@H]1CCC[NH2+]1 643505693 352979295 /nfs/dbraw/zinc/97/92/95/352979295.db2.gz VGRDRSCHQDBCQI-GMTAPVOTSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CN(C)C[C@H]1NCC[NH2+]C1CC1 643507175 352979807 /nfs/dbraw/zinc/97/98/07/352979807.db2.gz UWDCGTPRHZDABZ-MWLCHTKSSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H]1CN(C)C[C@@H]1NCC[NH2+]C1CC1 643507176 352979912 /nfs/dbraw/zinc/97/99/12/352979912.db2.gz UWDCGTPRHZDABZ-ONGXEEELSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@@H]1CN(C)C[C@@H]1NCC[NH2+]C1CC1 643507174 352980020 /nfs/dbraw/zinc/98/00/20/352980020.db2.gz UWDCGTPRHZDABZ-KOLCDFICSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H]1CN(C)C[C@H]1NCC[NH2+]C1CC1 643507173 352980063 /nfs/dbraw/zinc/98/00/63/352980063.db2.gz UWDCGTPRHZDABZ-GXSJLCMTSA-N 1 3 197.326 0.278 10 0 ACAEHO CC(C)[C@H](N)C[NH2+][C@@H]1CN(C)C[C@H]1C 643511590 352982696 /nfs/dbraw/zinc/98/26/96/352982696.db2.gz HOBBSGCHWHUYEP-GMTAPVOTSA-N 1 3 199.342 0.509 10 0 ACAEHO CC(C)[C@H]([NH3+])CN[C@@H]1CN(C)C[C@H]1C 643511590 352982699 /nfs/dbraw/zinc/98/26/99/352982699.db2.gz HOBBSGCHWHUYEP-GMTAPVOTSA-N 1 3 199.342 0.509 10 0 ACAEHO CC(C)[C@H]([NH3+])CN[C@@H]1CN(C)C[C@@H]1C 643511591 352982860 /nfs/dbraw/zinc/98/28/60/352982860.db2.gz HOBBSGCHWHUYEP-HBNTYKKESA-N 1 3 199.342 0.509 10 0 ACAEHO CC(C)[C@H](N)C[NH2+][C@@H]1CN(C)C[C@@H]1C 643511591 352982858 /nfs/dbraw/zinc/98/28/58/352982858.db2.gz HOBBSGCHWHUYEP-HBNTYKKESA-N 1 3 199.342 0.509 10 0 ACAEHO CC(C)[C@H](N)C[NH2+][C@H]1CN(C)C[C@H]1C 643511592 352982875 /nfs/dbraw/zinc/98/28/75/352982875.db2.gz HOBBSGCHWHUYEP-MXWKQRLJSA-N 1 3 199.342 0.509 10 0 ACAEHO CC(C)[C@H]([NH3+])CN[C@H]1CN(C)C[C@H]1C 643511592 352982877 /nfs/dbraw/zinc/98/28/77/352982877.db2.gz HOBBSGCHWHUYEP-MXWKQRLJSA-N 1 3 199.342 0.509 10 0 ACAEHO CC(C)[C@H](N)C[NH2+][C@H]1CN(C)C[C@@H]1C 643511589 352983067 /nfs/dbraw/zinc/98/30/67/352983067.db2.gz HOBBSGCHWHUYEP-AXFHLTTASA-N 1 3 199.342 0.509 10 0 ACAEHO CCC[NH2+]CCN[C@@H]1CN(C)C[C@@H]1C 643515229 352986197 /nfs/dbraw/zinc/98/61/97/352986197.db2.gz KQNCVUWMPHSGMX-WDEREUQCSA-N 1 3 199.342 0.526 10 0 ACAEHO CCC[NH2+]CCN[C@H]1CN(C)C[C@@H]1C 643515228 352986435 /nfs/dbraw/zinc/98/64/35/352986435.db2.gz KQNCVUWMPHSGMX-QWRGUYRKSA-N 1 3 199.342 0.526 10 0 ACAEHO CCC[NH2+]CCN[C@@H]1CN(C)C[C@H]1C 643515226 352986730 /nfs/dbraw/zinc/98/67/30/352986730.db2.gz KQNCVUWMPHSGMX-GHMZBOCLSA-N 1 3 199.342 0.526 10 0 ACAEHO CCC[NH2+]CCN[C@H]1CN(C)C[C@H]1C 643515227 352986835 /nfs/dbraw/zinc/98/68/35/352986835.db2.gz KQNCVUWMPHSGMX-MNOVXSKESA-N 1 3 199.342 0.526 10 0 ACAEHO C[C@H]1CN(C)C[C@H]1N[C@H]1CCC[NH2+]C1 643515845 352987273 /nfs/dbraw/zinc/98/72/73/352987273.db2.gz UXABOUNRMFGNCF-GARJFASQSA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H]1CN(C)C[C@@H]1N[C@H]1CCC[NH2+]C1 643515844 352987535 /nfs/dbraw/zinc/98/75/35/352987535.db2.gz UXABOUNRMFGNCF-DCAQKATOSA-N 1 3 197.326 0.278 10 0 ACAEHO CC[C@H]1CC[C@H]1[NH2+]CC1CNC1 643516499 352988391 /nfs/dbraw/zinc/98/83/91/352988391.db2.gz HZYLLVYIVKWKDM-VHSXEESVSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[C@@H]1CC[C@H]1[NH2+]CC1CNC1 643516497 352988470 /nfs/dbraw/zinc/98/84/70/352988470.db2.gz HZYLLVYIVKWKDM-NXEZZACHSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[C@@H]1CC[C@@H]1[NH2+]CC1CNC1 643516500 352988545 /nfs/dbraw/zinc/98/85/45/352988545.db2.gz HZYLLVYIVKWKDM-ZJUUUORDSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[C@H]1CC[C@@H]1[NH2+]CC1CNC1 643516498 352988549 /nfs/dbraw/zinc/98/85/49/352988549.db2.gz HZYLLVYIVKWKDM-UWVGGRQHSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H]1CN(C)C[C@@H]1N[C@@H]1CCC[NH2+]C1 643523056 352991505 /nfs/dbraw/zinc/99/15/05/352991505.db2.gz UXABOUNRMFGNCF-AXFHLTTASA-N 1 3 197.326 0.278 10 0 ACAEHO C[C@H]1CN(C)C[C@H]1N[C@@H]1CCC[NH2+]C1 643523061 352992063 /nfs/dbraw/zinc/99/20/63/352992063.db2.gz UXABOUNRMFGNCF-HBNTYKKESA-N 1 3 197.326 0.278 10 0 ACAEHO CC[NH2+][C@H](C)CN[C@H]1CN(C)C[C@@H]1C 643529584 352996695 /nfs/dbraw/zinc/99/66/95/352996695.db2.gz DOCJUQSPXNBMJP-AXFHLTTASA-N 1 3 199.342 0.524 10 0 ACAEHO CC[NH2+][C@H](C)CN[C@H]1CN(C)C[C@H]1C 643529587 352996760 /nfs/dbraw/zinc/99/67/60/352996760.db2.gz DOCJUQSPXNBMJP-MXWKQRLJSA-N 1 3 199.342 0.524 10 0 ACAEHO CC[NH2+][C@H](C)CN[C@@H]1CN(C)C[C@@H]1C 643529586 352996891 /nfs/dbraw/zinc/99/68/91/352996891.db2.gz DOCJUQSPXNBMJP-HBNTYKKESA-N 1 3 199.342 0.524 10 0 ACAEHO CC[NH2+][C@H](C)CN[C@@H]1CN(C)C[C@H]1C 643529585 352996908 /nfs/dbraw/zinc/99/69/08/352996908.db2.gz DOCJUQSPXNBMJP-GMTAPVOTSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@H]1[C@H](C)C[C@H]1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643539107 353000787 /nfs/dbraw/zinc/00/07/87/353000787.db2.gz IROZMNJHOBVRFM-JXVKQMKBSA-N 1 3 180.295 0.838 10 0 ACAEHO C[C@@H]1C[C@H]1[C@@H](C)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 643539284 353000851 /nfs/dbraw/zinc/00/08/51/353000851.db2.gz ZLFXBRAFWWUVKJ-JHMKVRFYSA-N 1 3 180.295 0.838 10 0 ACAEHO C[C@@H]1C[C@@H](N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1C 643539108 353000867 /nfs/dbraw/zinc/00/08/67/353000867.db2.gz IROZMNJHOBVRFM-RJRBEDEGSA-N 1 3 180.295 0.838 10 0 ACAEHO C[C@H](N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1C[C@H]1C 643539283 353000910 /nfs/dbraw/zinc/00/09/10/353000910.db2.gz ZLFXBRAFWWUVKJ-AKKLPLMASA-N 1 3 180.295 0.838 10 0 ACAEHO CC(C)C[C@@H]1C[NH2+]CCCN1 59327507 371637082 /nfs/dbraw/zinc/63/70/82/371637082.db2.gz OEGMUDJNRJHEEG-SECBINFHSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)C[C@H]1C[NH2+]CCCN1 59327508 371637558 /nfs/dbraw/zinc/63/75/58/371637558.db2.gz OEGMUDJNRJHEEG-VIFPVBQESA-N 1 3 156.273 0.984 10 0 ACAEHO [NH3+][C@H]1C[C@H]2CCN(C1)C2 95923233 371657011 /nfs/dbraw/zinc/65/70/11/371657011.db2.gz LVJFNUWSKALVNL-RQJHMYQMSA-N 1 3 126.203 0.039 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1C1CCC1 147917652 371665511 /nfs/dbraw/zinc/66/55/11/371665511.db2.gz XBOCUEKHIYGGRW-VIFPVBQESA-N 1 3 154.257 0.962 10 0 ACAEHO CN(C)C1(CN[C@@H]2CC[NH2+]C2)CCC1 165162668 371676481 /nfs/dbraw/zinc/67/64/81/371676481.db2.gz DHUIJMUYPGBIHT-SNVBAGLBSA-N 1 3 197.326 0.422 10 0 ACAEHO CN(C)C1(CN[C@H]2CC[NH2+]C2)CCC1 165162772 371676525 /nfs/dbraw/zinc/67/65/25/371676525.db2.gz DHUIJMUYPGBIHT-JTQLQIEISA-N 1 3 197.326 0.422 10 0 ACAEHO CN(CC1C[NH2+]C1)C1CCOCC1 165023236 371676561 /nfs/dbraw/zinc/67/65/61/371676561.db2.gz XSBKZGRVDAPJKX-UHFFFAOYSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@H+](CC1CNC1)C1CCOCC1 165023236 371676565 /nfs/dbraw/zinc/67/65/65/371676565.db2.gz XSBKZGRVDAPJKX-UHFFFAOYSA-N 1 3 184.283 0.317 10 0 ACAEHO C[N@@H+](CC1CNC1)C1CCOCC1 165023236 371676569 /nfs/dbraw/zinc/67/65/69/371676569.db2.gz XSBKZGRVDAPJKX-UHFFFAOYSA-N 1 3 184.283 0.317 10 0 ACAEHO C1CCN2CCN(C3C[NH2+]C3)C[C@H]2C1 227374897 371719785 /nfs/dbraw/zinc/71/97/85/371719785.db2.gz PIYYOSPTJGUZCI-SNVBAGLBSA-N 1 3 195.310 0.128 10 0 ACAEHO CN1CCC[C@H](N(C)[C@H]2CC[NH2+]C2)C1 250663500 371735156 /nfs/dbraw/zinc/73/51/56/371735156.db2.gz ZFVZXKLKIJTWPU-QWRGUYRKSA-N 1 3 197.326 0.374 10 0 ACAEHO [NH3+][C@@H]1[C@H]2C[C@H]3C[C@@H]1CN(C3)C2 306173428 371744802 /nfs/dbraw/zinc/74/48/02/371744802.db2.gz KBANJTYDXMCGKU-FOVOQCRYSA-N 1 3 152.241 0.285 10 0 ACAEHO [NH3+]C[C@]1(N2CCC2)CCN(C2CC2)C1 306209807 371745687 /nfs/dbraw/zinc/74/56/87/371745687.db2.gz IMXMPMHCKHQCOG-LLVKDONJSA-N 1 3 195.310 0.258 10 0 ACAEHO NC[C@]1(N2CCC2)CC[N@@H+](C2CC2)C1 306209807 371745692 /nfs/dbraw/zinc/74/56/92/371745692.db2.gz IMXMPMHCKHQCOG-LLVKDONJSA-N 1 3 195.310 0.258 10 0 ACAEHO NC[C@]1(N2CCC2)CC[N@H+](C2CC2)C1 306209807 371745695 /nfs/dbraw/zinc/74/56/95/371745695.db2.gz IMXMPMHCKHQCOG-LLVKDONJSA-N 1 3 195.310 0.258 10 0 ACAEHO [NH3+]C[C@@]1(N2CCC2)CCN(C2CC2)C1 306209808 371745865 /nfs/dbraw/zinc/74/58/65/371745865.db2.gz IMXMPMHCKHQCOG-NSHDSACASA-N 1 3 195.310 0.258 10 0 ACAEHO NC[C@@]1(N2CCC2)CC[N@@H+](C2CC2)C1 306209808 371745868 /nfs/dbraw/zinc/74/58/68/371745868.db2.gz IMXMPMHCKHQCOG-NSHDSACASA-N 1 3 195.310 0.258 10 0 ACAEHO NC[C@@]1(N2CCC2)CC[N@H+](C2CC2)C1 306209808 371745874 /nfs/dbraw/zinc/74/58/74/371745874.db2.gz IMXMPMHCKHQCOG-NSHDSACASA-N 1 3 195.310 0.258 10 0 ACAEHO C[C@H](CO)N1CC[C@H]([NH3+])C(C)(C)C1 307103641 371771985 /nfs/dbraw/zinc/77/19/85/371771985.db2.gz ARLZFLBTBBDOIS-BDAKNGLRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CO)N1CC[C@@H]([NH3+])C(C)(C)C1 307103643 371772038 /nfs/dbraw/zinc/77/20/38/371772038.db2.gz ARLZFLBTBBDOIS-DTWKUNHWSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H](CO)N1CC[C@@H]([NH3+])C(C)(C)C1 307103646 371772124 /nfs/dbraw/zinc/77/21/24/371772124.db2.gz ARLZFLBTBBDOIS-RKDXNWHRSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@@H](CO)N1CC[C@H]([NH3+])C(C)(C)C1 307103645 371772244 /nfs/dbraw/zinc/77/22/44/371772244.db2.gz ARLZFLBTBBDOIS-IUCAKERBSA-N 1 3 186.299 0.426 10 0 ACAEHO CC1C[NH+]([C@H](C)[C@@H](C)N)C1 307136394 371773145 /nfs/dbraw/zinc/77/31/45/371773145.db2.gz UMUZHULLTYGZQM-HTQZYQBOSA-N 1 3 142.246 0.674 10 0 ACAEHO CC1C[NH+]([C@H](C)[C@H](C)N)C1 307136395 371773167 /nfs/dbraw/zinc/77/31/67/371773167.db2.gz UMUZHULLTYGZQM-JGVFFNPUSA-N 1 3 142.246 0.674 10 0 ACAEHO CC1C[NH+]([C@@H](C)[C@H](C)N)C1 307136397 371773194 /nfs/dbraw/zinc/77/31/94/371773194.db2.gz UMUZHULLTYGZQM-YUMQZZPRSA-N 1 3 142.246 0.674 10 0 ACAEHO CC1C[NH+]([C@@H](C)[C@@H](C)N)C1 307136396 371773414 /nfs/dbraw/zinc/77/34/14/371773414.db2.gz UMUZHULLTYGZQM-SFYZADRCSA-N 1 3 142.246 0.674 10 0 ACAEHO C[C@H]([NH2+]CCCN)[C@@H]1C[C@H]1C 322169139 371792235 /nfs/dbraw/zinc/79/22/35/371792235.db2.gz LLMQYYFIFAJENK-HRDYMLBCSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCN 322169140 371792303 /nfs/dbraw/zinc/79/23/03/371792303.db2.gz LLMQYYFIFAJENK-IWSPIJDZSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCN 322169138 371792489 /nfs/dbraw/zinc/79/24/89/371792489.db2.gz LLMQYYFIFAJENK-HLTSFMKQSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H]([NH2+]CCCN)[C@H]1C[C@H]1C 322169141 371792879 /nfs/dbraw/zinc/79/28/79/371792879.db2.gz LLMQYYFIFAJENK-VGMNWLOBSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 575483568 371824172 /nfs/dbraw/zinc/82/41/72/371824172.db2.gz GDZKMSSDFWFHLL-RGOKHQFPSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[C@@H]([NH3+])C1 575483566 371824189 /nfs/dbraw/zinc/82/41/89/371824189.db2.gz GDZKMSSDFWFHLL-KYXWUPHJSA-N 1 3 184.283 0.491 10 0 ACAEHO NC(=[NH2+])C1(CN2CCC2)CC1 575496880 371826251 /nfs/dbraw/zinc/82/62/51/371826251.db2.gz TZAYPMWUKYXKHZ-UHFFFAOYSA-N 1 3 153.229 0.408 10 0 ACAEHO [NH3+]C[C@@H]1CCC2(CC2)CN1 616568090 371868970 /nfs/dbraw/zinc/86/89/70/371868970.db2.gz CLBOMUOBNUMEHT-ZETCQYMHSA-N 1 3 140.230 0.477 10 0 ACAEHO [NH3+]C[C@H]1CCC2(CC2)CN1 616568089 371868897 /nfs/dbraw/zinc/86/88/97/371868897.db2.gz CLBOMUOBNUMEHT-SSDOTTSWSA-N 1 3 140.230 0.477 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCC[C@H]1O 644166013 371878129 /nfs/dbraw/zinc/87/81/29/371878129.db2.gz ZVZVSNYIRLMBRN-ZYUZMQFOSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@H]([NH2+][C@H]1C[C@@H]2C[C@@H]2C1)C1CNC1 644165951 371878202 /nfs/dbraw/zinc/87/82/02/371878202.db2.gz HWUBQEXWEFCFRE-CKEKPRIKSA-N 1 3 180.295 0.982 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]1O 644166010 371878664 /nfs/dbraw/zinc/87/86/64/371878664.db2.gz ZVZVSNYIRLMBRN-AXTSPUMRSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N[C@@H]1CCC[C@H]1O 644166012 371879085 /nfs/dbraw/zinc/87/90/85/371879085.db2.gz ZVZVSNYIRLMBRN-UTINFBMNSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@@H]([NH2+][C@H]1C[C@@H]2C[C@@H]2C1)C1CNC1 644165953 371879144 /nfs/dbraw/zinc/87/91/44/371879144.db2.gz HWUBQEXWEFCFRE-SDNRWEOFSA-N 1 3 180.295 0.982 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CCC[C@H]1O 644166011 371879200 /nfs/dbraw/zinc/87/92/00/371879200.db2.gz ZVZVSNYIRLMBRN-SGIHWFKDSA-N 1 3 186.299 0.615 10 0 ACAEHO C[C@@H]1CCCCN1C[C@H](O)C[NH3+] 36057662 375295559 /nfs/dbraw/zinc/29/55/59/375295559.db2.gz IFQUCXFBCUNWFA-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1C 42427342 375299657 /nfs/dbraw/zinc/29/96/57/375299657.db2.gz IBPIFJFILMQHAY-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1C 42427342 375299661 /nfs/dbraw/zinc/29/96/61/375299661.db2.gz IBPIFJFILMQHAY-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[C@@H](C[NH3+])CN1C 42427342 375299666 /nfs/dbraw/zinc/29/96/66/375299666.db2.gz IBPIFJFILMQHAY-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1C 42427340 375300353 /nfs/dbraw/zinc/30/03/53/375300353.db2.gz IBPIFJFILMQHAY-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1C 42427340 375300359 /nfs/dbraw/zinc/30/03/59/375300359.db2.gz IBPIFJFILMQHAY-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@H]1CC[C@H](C[NH3+])CN1C 42427340 375300364 /nfs/dbraw/zinc/30/03/64/375300364.db2.gz IBPIFJFILMQHAY-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC(C)N1CC[C@H]([NH3+])[C@@H]1C 59061885 375305481 /nfs/dbraw/zinc/30/54/81/375305481.db2.gz JAUXVWZLVDFGSD-YUMQZZPRSA-N 1 3 142.246 0.816 10 0 ACAEHO CC(C)N1CC[C@@H]([NH3+])[C@@H]1C 59062108 375305562 /nfs/dbraw/zinc/30/55/62/375305562.db2.gz JAUXVWZLVDFGSD-JGVFFNPUSA-N 1 3 142.246 0.816 10 0 ACAEHO [NH3+]CCCN1CCN2CCCC[C@H]2C1 83825512 375381557 /nfs/dbraw/zinc/38/15/57/375381557.db2.gz MXUFSGIONHSAME-NSHDSACASA-N 1 3 197.326 0.505 10 0 ACAEHO CC[N@@H+]1C[C@@H](C)[C@H](CN)C1 204291283 375412334 /nfs/dbraw/zinc/41/23/34/375412334.db2.gz OYJOXXNMUXYAOI-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[N@H+]1C[C@@H](C)[C@H](CN)C1 204291283 375412337 /nfs/dbraw/zinc/41/23/37/375412337.db2.gz OYJOXXNMUXYAOI-HTQZYQBOSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[N@@H+]1C[C@H](C)[C@H](CN)C1 204291265 375412430 /nfs/dbraw/zinc/41/24/30/375412430.db2.gz OYJOXXNMUXYAOI-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO CC[N@H+]1C[C@H](C)[C@H](CN)C1 204291265 375412435 /nfs/dbraw/zinc/41/24/35/375412435.db2.gz OYJOXXNMUXYAOI-JGVFFNPUSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@H](O)C(C)(C)[NH3+])C1 306787543 375460129 /nfs/dbraw/zinc/46/01/29/375460129.db2.gz MVCOEAYDHCRVHJ-HLTSFMKQSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CC[NH2+][C@@H]([C@H](O)C(C)(C)N)C1 306787543 375460132 /nfs/dbraw/zinc/46/01/32/375460132.db2.gz MVCOEAYDHCRVHJ-HLTSFMKQSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@H](O)C(C)(C)[NH3+])C1 306787548 375460137 /nfs/dbraw/zinc/46/01/37/375460137.db2.gz MVCOEAYDHCRVHJ-VGMNWLOBSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H]([C@H](O)C(C)(C)N)C1 306787548 375460141 /nfs/dbraw/zinc/46/01/41/375460141.db2.gz MVCOEAYDHCRVHJ-VGMNWLOBSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CCN[C@H]([C@@H](O)C(C)(C)[NH3+])C1 306787545 375460198 /nfs/dbraw/zinc/46/01/98/375460198.db2.gz MVCOEAYDHCRVHJ-HRDYMLBCSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H]([C@@H](O)C(C)(C)N)C1 306787545 375460200 /nfs/dbraw/zinc/46/02/00/375460200.db2.gz MVCOEAYDHCRVHJ-HRDYMLBCSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CCN[C@@H]([C@@H](O)C(C)(C)[NH3+])C1 306787547 375460208 /nfs/dbraw/zinc/46/02/08/375460208.db2.gz MVCOEAYDHCRVHJ-IWSPIJDZSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@@H]1CC[NH2+][C@@H]([C@@H](O)C(C)(C)N)C1 306787547 375460211 /nfs/dbraw/zinc/46/02/11/375460211.db2.gz MVCOEAYDHCRVHJ-IWSPIJDZSA-N 1 3 186.299 0.473 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@@H]1C 307384970 375470873 /nfs/dbraw/zinc/47/08/73/375470873.db2.gz JNUNDYQOPNNWJY-FXQIFTODSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CC[C@H]1C 307384971 375470672 /nfs/dbraw/zinc/47/06/72/375470672.db2.gz JNUNDYQOPNNWJY-GJMOJQLCSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CC[C@H]1C 307384971 375470675 /nfs/dbraw/zinc/47/06/75/375470675.db2.gz JNUNDYQOPNNWJY-GJMOJQLCSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@H]1C 307384969 375470830 /nfs/dbraw/zinc/47/08/30/375470830.db2.gz JNUNDYQOPNNWJY-CSMHCCOUSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@H](C)[N@H+]1CC[C@H]1C 307384969 375470834 /nfs/dbraw/zinc/47/08/34/375470834.db2.gz JNUNDYQOPNNWJY-CSMHCCOUSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@H](C)[N@@H+]1CC[C@@H]1C 307384970 375470869 /nfs/dbraw/zinc/47/08/69/375470869.db2.gz JNUNDYQOPNNWJY-FXQIFTODSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@@H+]1CC[C@@H]1C 307384968 375470904 /nfs/dbraw/zinc/47/09/04/375470904.db2.gz JNUNDYQOPNNWJY-BIIVOSGPSA-N 1 3 142.246 0.816 10 0 ACAEHO C[C@H](N)[C@@H](C)[N@H+]1CC[C@@H]1C 307384968 375470906 /nfs/dbraw/zinc/47/09/06/375470906.db2.gz JNUNDYQOPNNWJY-BIIVOSGPSA-N 1 3 142.246 0.816 10 0 ACAEHO CCN1CCOC2(CC[NH+](C)CC2)C1 646104263 375576509 /nfs/dbraw/zinc/57/65/09/375576509.db2.gz FMXZBLQNMHTWIV-UHFFFAOYSA-N 1 3 198.310 0.803 10 0 ACAEHO COCC1(CC[NH2+][C@H]2CCNC2)CC1 647800497 375667633 /nfs/dbraw/zinc/66/76/33/375667633.db2.gz CIZHXJIRYCZICL-JTQLQIEISA-N 1 3 198.310 0.755 10 0 ACAEHO COCCCNC[C@@]1(C)CC[NH2+]C1 647550902 375660567 /nfs/dbraw/zinc/66/05/67/375660567.db2.gz NMUAHBVMJFQXNA-SNVBAGLBSA-N 1 3 186.299 0.612 10 0 ACAEHO COCCCNC[C@]1(C)CC[NH2+]C1 647550901 375661443 /nfs/dbraw/zinc/66/14/43/375661443.db2.gz NMUAHBVMJFQXNA-JTQLQIEISA-N 1 3 186.299 0.612 10 0 ACAEHO COCC1(CC[NH2+][C@@H]2CCNC2)CC1 647800498 375667743 /nfs/dbraw/zinc/66/77/43/375667743.db2.gz CIZHXJIRYCZICL-SNVBAGLBSA-N 1 3 198.310 0.755 10 0 ACAEHO C[NH2+]C[C@@](C)(O)CN1CCCCC1 652338427 409352380 /nfs/dbraw/zinc/35/23/80/409352380.db2.gz AJDZUPCEMSATPZ-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO CNC[C@@](C)(O)C[NH+]1CCCCC1 652338427 409352385 /nfs/dbraw/zinc/35/23/85/409352385.db2.gz AJDZUPCEMSATPZ-SNVBAGLBSA-N 1 3 186.299 0.443 10 0 ACAEHO C[NH2+]C[C@](C)(O)CN1CCCCC1 652338426 409352485 /nfs/dbraw/zinc/35/24/85/409352485.db2.gz AJDZUPCEMSATPZ-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO CNC[C@](C)(O)C[NH+]1CCCCC1 652338426 409352491 /nfs/dbraw/zinc/35/24/91/409352491.db2.gz AJDZUPCEMSATPZ-JTQLQIEISA-N 1 3 186.299 0.443 10 0 ACAEHO COC[C@@H](C)C[N@@H+]1CC[C@H](CN)C1 45707289 409367035 /nfs/dbraw/zinc/36/70/35/409367035.db2.gz FXHACTJMJWFKPG-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@@H](C)C[N@H+]1CC[C@H](CN)C1 45707289 409367041 /nfs/dbraw/zinc/36/70/41/409367041.db2.gz FXHACTJMJWFKPG-VHSXEESVSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H](C)C[N@@H+]1CC[C@H](CN)C1 45707293 409367123 /nfs/dbraw/zinc/36/71/23/409367123.db2.gz FXHACTJMJWFKPG-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO COC[C@H](C)C[N@H+]1CC[C@H](CN)C1 45707293 409367129 /nfs/dbraw/zinc/36/71/29/409367129.db2.gz FXHACTJMJWFKPG-NXEZZACHSA-N 1 3 186.299 0.550 10 0 ACAEHO CN(CCC[NH3+])CCCn1ccnc1 49327399 409373835 /nfs/dbraw/zinc/37/38/35/409373835.db2.gz OEWYZQMCTJUJSY-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO C[N@H+](CCCN)CCCn1ccnc1 49327399 409373841 /nfs/dbraw/zinc/37/38/41/409373841.db2.gz OEWYZQMCTJUJSY-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO C[N@@H+](CCCN)CCCn1ccnc1 49327399 409373847 /nfs/dbraw/zinc/37/38/47/409373847.db2.gz OEWYZQMCTJUJSY-UHFFFAOYSA-N 1 3 196.298 0.554 10 0 ACAEHO C[C@@H]1C[C@H]1NC[C@H](O)C[NH+]1CCCC1 52278458 409385089 /nfs/dbraw/zinc/38/50/89/409385089.db2.gz YFRMFDATFLWCLT-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@]1(CNC[C@@H]2CCCO2)CC[NH2+]C1 62911467 409403415 /nfs/dbraw/zinc/40/34/15/409403415.db2.gz OAMDMPWSGBSCMK-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@]1(CNC[C@H]2CCCO2)CC[NH2+]C1 62911470 409403878 /nfs/dbraw/zinc/40/38/78/409403878.db2.gz OAMDMPWSGBSCMK-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@@]1(CNC[C@@H]2CCCO2)CC[NH2+]C1 62911468 409404405 /nfs/dbraw/zinc/40/44/05/409404405.db2.gz OAMDMPWSGBSCMK-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@]1(CNC[C@H]2CCCO2)CC[NH2+]C1 62911469 409404967 /nfs/dbraw/zinc/40/49/67/409404967.db2.gz OAMDMPWSGBSCMK-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO COCC1(C[NH2+]C2CCNCC2)CC1 656199786 409423869 /nfs/dbraw/zinc/42/38/69/409423869.db2.gz DBOAAJYRNKQJGN-UHFFFAOYSA-N 1 3 198.310 0.755 10 0 ACAEHO COCC1(CNC2CC[NH2+]CC2)CC1 656199786 409423873 /nfs/dbraw/zinc/42/38/73/409423873.db2.gz DBOAAJYRNKQJGN-UHFFFAOYSA-N 1 3 198.310 0.755 10 0 ACAEHO COCC1(C[NH2+][C@@H](C)C2CNC2)CC1 656199963 409424149 /nfs/dbraw/zinc/42/41/49/409424149.db2.gz HKKPMIKBYTYTAP-VIFPVBQESA-N 1 3 198.310 0.611 10 0 ACAEHO COCC1(CN[C@@H](C)C2C[NH2+]C2)CC1 656199963 409424156 /nfs/dbraw/zinc/42/41/56/409424156.db2.gz HKKPMIKBYTYTAP-VIFPVBQESA-N 1 3 198.310 0.611 10 0 ACAEHO COCC1(C[NH2+][C@H](C)C2CNC2)CC1 656199960 409424174 /nfs/dbraw/zinc/42/41/74/409424174.db2.gz HKKPMIKBYTYTAP-SECBINFHSA-N 1 3 198.310 0.611 10 0 ACAEHO COCC1(CN[C@H](C)C2C[NH2+]C2)CC1 656199960 409424177 /nfs/dbraw/zinc/42/41/77/409424177.db2.gz HKKPMIKBYTYTAP-SECBINFHSA-N 1 3 198.310 0.611 10 0 ACAEHO [NH3+][C@H]1CCC[C@@H](NC2(CO)CC2)C1 656193024 409424833 /nfs/dbraw/zinc/42/48/33/409424833.db2.gz IXBMWPRZSFDZEY-DTWKUNHWSA-N 1 3 184.283 0.371 10 0 ACAEHO [NH3+][C@H]1CCC[C@H](NC2(CO)CC2)C1 656193025 409424643 /nfs/dbraw/zinc/42/46/43/409424643.db2.gz IXBMWPRZSFDZEY-IUCAKERBSA-N 1 3 184.283 0.371 10 0 ACAEHO COCC1(CN[C@@H]2CCC[C@H]2[NH3+])CC1 656201827 409424886 /nfs/dbraw/zinc/42/48/86/409424886.db2.gz ZVYVDIONLNCNBF-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO COCC1(CN[C@H]2CCC[C@@H]2[NH3+])CC1 656201828 409424999 /nfs/dbraw/zinc/42/49/99/409424999.db2.gz ZVYVDIONLNCNBF-UWVGGRQHSA-N 1 3 198.310 0.882 10 0 ACAEHO COCC1(CN[C@H]2CCC[C@H]2[NH3+])CC1 656201830 409425210 /nfs/dbraw/zinc/42/52/10/409425210.db2.gz ZVYVDIONLNCNBF-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO [NH3+][C@@H]1CCC[C@@H](NC2(CO)CC2)C1 656193026 409425318 /nfs/dbraw/zinc/42/53/18/409425318.db2.gz IXBMWPRZSFDZEY-RKDXNWHRSA-N 1 3 184.283 0.371 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](NC2(CO)CC2)C1 656193023 409425402 /nfs/dbraw/zinc/42/54/02/409425402.db2.gz IXBMWPRZSFDZEY-BDAKNGLRSA-N 1 3 184.283 0.371 10 0 ACAEHO COCC1(CN[C@@H]2CCC[C@@H]2[NH3+])CC1 656201829 409425461 /nfs/dbraw/zinc/42/54/61/409425461.db2.gz ZVYVDIONLNCNBF-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO COC[C@H](C)C[N@@H+]1CCC[C@H](N)C1 70586119 409427002 /nfs/dbraw/zinc/42/70/02/409427002.db2.gz QGHXGPAPXCLVBZ-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@H](C)C[N@H+]1CCC[C@H](N)C1 70586119 409427006 /nfs/dbraw/zinc/42/70/06/409427006.db2.gz QGHXGPAPXCLVBZ-ZJUUUORDSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@@H](C)C[N@@H+]1CCC[C@H](N)C1 70586118 409427704 /nfs/dbraw/zinc/42/77/04/409427704.db2.gz QGHXGPAPXCLVBZ-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO COC[C@@H](C)C[N@H+]1CCC[C@H](N)C1 70586118 409427706 /nfs/dbraw/zinc/42/77/06/409427706.db2.gz QGHXGPAPXCLVBZ-UWVGGRQHSA-N 1 3 186.299 0.692 10 0 ACAEHO C[C@H](CCNC1=[NH+]CCCN1)N(C)C 656508601 409439339 /nfs/dbraw/zinc/43/93/39/409439339.db2.gz PYEYAAWBYXZUEX-SECBINFHSA-N 1 3 198.314 0.266 10 0 ACAEHO C[C@@H](CCNC1=[NH+]CCCN1)N(C)C 656508602 409439761 /nfs/dbraw/zinc/43/97/61/409439761.db2.gz PYEYAAWBYXZUEX-VIFPVBQESA-N 1 3 198.314 0.266 10 0 ACAEHO C[C@]12COC[C@@]1(C)CN(CCC[NH3+])C2 656787839 409450737 /nfs/dbraw/zinc/45/07/37/409450737.db2.gz XBYGHSCPQHNKQW-PHIMTYICSA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@]12COC[C@@]1(C)C[N@H+](CCCN)C2 656787839 409450739 /nfs/dbraw/zinc/45/07/39/409450739.db2.gz XBYGHSCPQHNKQW-PHIMTYICSA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@]12COC[C@@]1(C)C[N@@H+](CCCN)C2 656787839 409450745 /nfs/dbraw/zinc/45/07/45/409450745.db2.gz XBYGHSCPQHNKQW-PHIMTYICSA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@]12COC[C@@H]1C[N@H+](CCCN)C2 656792211 409452261 /nfs/dbraw/zinc/45/22/61/409452261.db2.gz PSVSRQRQKWTIDJ-UWVGGRQHSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@]12COC[C@@H]1C[N@@H+](CCCN)C2 656792211 409452266 /nfs/dbraw/zinc/45/22/66/409452266.db2.gz PSVSRQRQKWTIDJ-UWVGGRQHSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@]12COC[C@@H]1CN(CCC[NH3+])C2 656792211 409452269 /nfs/dbraw/zinc/45/22/69/409452269.db2.gz PSVSRQRQKWTIDJ-UWVGGRQHSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@]12COC[C@H]1C[N@H+](CCCN)C2 656792208 409452361 /nfs/dbraw/zinc/45/23/61/409452361.db2.gz PSVSRQRQKWTIDJ-NXEZZACHSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@]12COC[C@H]1C[N@@H+](CCCN)C2 656792208 409452363 /nfs/dbraw/zinc/45/23/63/409452363.db2.gz PSVSRQRQKWTIDJ-NXEZZACHSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@]12COC[C@H]1CN(CCC[NH3+])C2 656792208 409452367 /nfs/dbraw/zinc/45/23/67/409452367.db2.gz PSVSRQRQKWTIDJ-NXEZZACHSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@H]1CN(CCC[NH3+])CC[C@@H](C)O1 656791169 409452750 /nfs/dbraw/zinc/45/27/50/409452750.db2.gz DPAZOOQRPRSRRT-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@]12COC[C@H]1C[N@H+](CCCN)C2 656792214 409452815 /nfs/dbraw/zinc/45/28/15/409452815.db2.gz PSVSRQRQKWTIDJ-ZJUUUORDSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@]12COC[C@H]1C[N@@H+](CCCN)C2 656792214 409452819 /nfs/dbraw/zinc/45/28/19/409452819.db2.gz PSVSRQRQKWTIDJ-ZJUUUORDSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@]12COC[C@H]1CN(CCC[NH3+])C2 656792214 409452825 /nfs/dbraw/zinc/45/28/25/409452825.db2.gz PSVSRQRQKWTIDJ-ZJUUUORDSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@]12COC[C@@H]1C[N@H+](CCCN)C2 656792212 409452925 /nfs/dbraw/zinc/45/29/25/409452925.db2.gz PSVSRQRQKWTIDJ-VHSXEESVSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@]12COC[C@@H]1C[N@@H+](CCCN)C2 656792212 409452927 /nfs/dbraw/zinc/45/29/27/409452927.db2.gz PSVSRQRQKWTIDJ-VHSXEESVSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@]12COC[C@@H]1CN(CCC[NH3+])C2 656792212 409452930 /nfs/dbraw/zinc/45/29/30/409452930.db2.gz PSVSRQRQKWTIDJ-VHSXEESVSA-N 1 3 184.283 0.304 10 0 ACAEHO C[C@@H]1C[C@H](N)CC(C)(C)[NH2+]1 104560328 409453362 /nfs/dbraw/zinc/45/33/62/409453362.db2.gz VLKBXGJQVNTXOL-RQJHMYQMSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CC(C)(C)N1 104560328 409453366 /nfs/dbraw/zinc/45/33/66/409453366.db2.gz VLKBXGJQVNTXOL-RQJHMYQMSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@H]1C[C@H](N)CC(C)(C)[NH2+]1 104560331 409453461 /nfs/dbraw/zinc/45/34/61/409453461.db2.gz VLKBXGJQVNTXOL-BQBZGAKWSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@H]1C[C@H]([NH3+])CC(C)(C)N1 104560331 409453464 /nfs/dbraw/zinc/45/34/64/409453464.db2.gz VLKBXGJQVNTXOL-BQBZGAKWSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@@H]1C[C@@H](N)CC(C)(C)[NH2+]1 104560333 409453469 /nfs/dbraw/zinc/45/34/69/409453469.db2.gz VLKBXGJQVNTXOL-RNFRBKRXSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CC(C)(C)N1 104560333 409453473 /nfs/dbraw/zinc/45/34/73/409453473.db2.gz VLKBXGJQVNTXOL-RNFRBKRXSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@H]1C[C@@H](N)CC(C)(C)[NH2+]1 104560336 409453532 /nfs/dbraw/zinc/45/35/32/409453532.db2.gz VLKBXGJQVNTXOL-NKWVEPMBSA-N 1 3 142.246 0.864 10 0 ACAEHO C[C@H]1C[C@@H]([NH3+])CC(C)(C)N1 104560336 409453536 /nfs/dbraw/zinc/45/35/36/409453536.db2.gz VLKBXGJQVNTXOL-NKWVEPMBSA-N 1 3 142.246 0.864 10 0 ACAEHO CC(C)[C@H]1CN(CCC[NH3+])CCN1C 108347630 409461846 /nfs/dbraw/zinc/46/18/46/409461846.db2.gz NTFDMJTYPJVAEB-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO CC(C)[C@H]1CN(CC[NH3+])CCN1C 108338947 409462050 /nfs/dbraw/zinc/46/20/50/409462050.db2.gz POFQKCLIUUYARK-SNVBAGLBSA-N 1 3 185.315 0.217 10 0 ACAEHO CC1CC(NCC2([NH3+])CCOCC2)C1 123544406 409467441 /nfs/dbraw/zinc/46/74/41/409467441.db2.gz OZRNLQVGRUSXGG-UHFFFAOYSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H](C[NH2+][C@H]1CCNC1)C1CC1 132481482 409489368 /nfs/dbraw/zinc/48/93/68/409489368.db2.gz ZXHOTGDGXSKGBC-SCZZXKLOSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H](C[NH2+][C@@H]1CCNC1)C1CC1 132480871 409489531 /nfs/dbraw/zinc/48/95/31/409489531.db2.gz ZXHOTGDGXSKGBC-WCBMZHEXSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@H](C[NH2+][C@@H]1CCNC1)C1CC1 132481067 409489546 /nfs/dbraw/zinc/48/95/46/409489546.db2.gz ZXHOTGDGXSKGBC-PSASIEDQSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@H](C[NH2+][C@H]1CCNC1)C1CC1 132481274 409489878 /nfs/dbraw/zinc/48/98/78/409489878.db2.gz ZXHOTGDGXSKGBC-WPRPVWTQSA-N 1 3 168.284 0.984 10 0 ACAEHO CCN1CC[C@H]2[NH2+]CC[C@@H]2C1 167975655 409504119 /nfs/dbraw/zinc/50/41/19/409504119.db2.gz MLIXMKWYNKQHEI-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO CCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 167975540 409504746 /nfs/dbraw/zinc/50/47/46/409504746.db2.gz MLIXMKWYNKQHEI-BDAKNGLRSA-N 1 3 154.257 0.690 10 0 ACAEHO COCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306357156 409560959 /nfs/dbraw/zinc/56/09/59/409560959.db2.gz UTROGLDYSNUHDB-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO COCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306357158 409562379 /nfs/dbraw/zinc/56/23/79/409562379.db2.gz UTROGLDYSNUHDB-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@@H]1C[C@@H]1N[C@H](C)[C@H]1CC[NH2+]C1 306607597 409578630 /nfs/dbraw/zinc/57/86/30/409578630.db2.gz IGHHZBLKQYAEKP-IMSYWVGJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1C[C@@H]1N[C@H](C)[C@@H]1CC[NH2+]C1 306607599 409579072 /nfs/dbraw/zinc/57/90/72/409579072.db2.gz IGHHZBLKQYAEKP-KYXWUPHJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H](N[C@H]1C[C@H]1C)[C@H]1CC[NH2+]C1 306607598 409579143 /nfs/dbraw/zinc/57/91/43/409579143.db2.gz IGHHZBLKQYAEKP-KATARQTJSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H](N[C@H]1C[C@H]1C)[C@@H]1CC[NH2+]C1 306607600 409579175 /nfs/dbraw/zinc/57/91/75/409579175.db2.gz IGHHZBLKQYAEKP-RGOKHQFPSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H]1CC[C@H](O)CN1CCC[NH3+] 307080521 409612090 /nfs/dbraw/zinc/61/20/90/409612090.db2.gz GNJYKMPQEALLBZ-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CC[C@@H](O)CN1CCC[NH3+] 307080523 409612493 /nfs/dbraw/zinc/61/24/93/409612493.db2.gz GNJYKMPQEALLBZ-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CN1CC[C@@]2(CCC[N@H+](CCO)C2)C1 660658374 409612785 /nfs/dbraw/zinc/61/27/85/409612785.db2.gz FLLQNWXYNOZVCV-NSHDSACASA-N 1 3 198.310 0.396 10 0 ACAEHO CN1CC[C@@]2(CCC[N@@H+](CCO)C2)C1 660658374 409612790 /nfs/dbraw/zinc/61/27/90/409612790.db2.gz FLLQNWXYNOZVCV-NSHDSACASA-N 1 3 198.310 0.396 10 0 ACAEHO C[C@@H]1CC[C@H](O)CN1CCC[NH3+] 307080518 409612821 /nfs/dbraw/zinc/61/28/21/409612821.db2.gz GNJYKMPQEALLBZ-BDAKNGLRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CC[C@@H](O)CN1CCC[NH3+] 307080520 409613025 /nfs/dbraw/zinc/61/30/25/409613025.db2.gz GNJYKMPQEALLBZ-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO CN1CC[C@]2(CCC[N@H+](CCO)C2)C1 660658373 409613537 /nfs/dbraw/zinc/61/35/37/409613537.db2.gz FLLQNWXYNOZVCV-LLVKDONJSA-N 1 3 198.310 0.396 10 0 ACAEHO CN1CC[C@]2(CCC[N@@H+](CCO)C2)C1 660658373 409613540 /nfs/dbraw/zinc/61/35/40/409613540.db2.gz FLLQNWXYNOZVCV-LLVKDONJSA-N 1 3 198.310 0.396 10 0 ACAEHO C[C@@H]1C[C@@H](O)CN1C[C@H]1CCC[NH2+]C1 307407898 409640618 /nfs/dbraw/zinc/64/06/18/409640618.db2.gz FBTMJCPRGBPGEB-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CCCNC1 307407898 409640625 /nfs/dbraw/zinc/64/06/25/409640625.db2.gz FBTMJCPRGBPGEB-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1CCCNC1 307407898 409640631 /nfs/dbraw/zinc/64/06/31/409640631.db2.gz FBTMJCPRGBPGEB-OUAUKWLOSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H](O)CN1C[C@@H]1CCC[NH2+]C1 307407879 409640919 /nfs/dbraw/zinc/64/09/19/409640919.db2.gz FBTMJCPRGBPGEB-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CCCNC1 307407879 409640924 /nfs/dbraw/zinc/64/09/24/409640924.db2.gz FBTMJCPRGBPGEB-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H]1CCCNC1 307407879 409640933 /nfs/dbraw/zinc/64/09/33/409640933.db2.gz FBTMJCPRGBPGEB-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H](O)CN1C[C@@H]1CCC[NH2+]C1 307407887 409641350 /nfs/dbraw/zinc/64/13/50/409641350.db2.gz FBTMJCPRGBPGEB-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CCCNC1 307407887 409641359 /nfs/dbraw/zinc/64/13/59/409641359.db2.gz FBTMJCPRGBPGEB-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCCNC1 307407887 409641367 /nfs/dbraw/zinc/64/13/67/409641367.db2.gz FBTMJCPRGBPGEB-MXWKQRLJSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H](O)CN1C[C@H]1CCC[NH2+]C1 307407907 409642140 /nfs/dbraw/zinc/64/21/40/409642140.db2.gz FBTMJCPRGBPGEB-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CCCNC1 307407907 409642148 /nfs/dbraw/zinc/64/21/48/409642148.db2.gz FBTMJCPRGBPGEB-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CCCNC1 307407907 409642158 /nfs/dbraw/zinc/64/21/58/409642158.db2.gz FBTMJCPRGBPGEB-VWYCJHECSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)C1 307624851 409661652 /nfs/dbraw/zinc/66/16/52/409661652.db2.gz IYAJSNHDJOBYPT-VPOLOUISSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@H]2O)C1 307624851 409661661 /nfs/dbraw/zinc/66/16/61/409661661.db2.gz IYAJSNHDJOBYPT-VPOLOUISSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1CC[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)C1 307624852 409661991 /nfs/dbraw/zinc/66/19/91/409661991.db2.gz IYAJSNHDJOBYPT-ZNSHCXBVSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CNC[C@@H]2O)C1 307624852 409662000 /nfs/dbraw/zinc/66/20/00/409662000.db2.gz IYAJSNHDJOBYPT-ZNSHCXBVSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)C1 307624850 409663171 /nfs/dbraw/zinc/66/31/71/409663171.db2.gz IYAJSNHDJOBYPT-RCWTZXSCSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CNC[C@@H]2O)C1 307624850 409663177 /nfs/dbraw/zinc/66/31/77/409663177.db2.gz IYAJSNHDJOBYPT-RCWTZXSCSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CCCN)[C@@H]1C 307755152 409669373 /nfs/dbraw/zinc/66/93/73/409669373.db2.gz CPLKUSBXMYOUAS-HLTSFMKQSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CCCN)[C@@H]1C 307755154 409670193 /nfs/dbraw/zinc/67/01/93/409670193.db2.gz CPLKUSBXMYOUAS-IWSPIJDZSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@H]1[C@H](C)C[C@H]1[NH2+]CCCN 307755153 409670563 /nfs/dbraw/zinc/67/05/63/409670563.db2.gz CPLKUSBXMYOUAS-HRDYMLBCSA-N 1 3 156.273 0.969 10 0 ACAEHO C[C@@H]1[C@@H]([NH2+]CCCN)C[C@H]1C 307755155 409670866 /nfs/dbraw/zinc/67/08/66/409670866.db2.gz CPLKUSBXMYOUAS-VGMNWLOBSA-N 1 3 156.273 0.969 10 0 ACAEHO COC[C@H](N[C@@H](C)[C@@H](C)[NH3+])C(C)C 308135721 409687202 /nfs/dbraw/zinc/68/72/02/409687202.db2.gz NZSUZQAVJWOBIC-UTLUCORTSA-N 1 3 188.315 0.983 10 0 ACAEHO COC[C@H](N[C@H](C)[C@@H](C)[NH3+])C(C)C 308135716 409687828 /nfs/dbraw/zinc/68/78/28/409687828.db2.gz NZSUZQAVJWOBIC-BBBLOLIVSA-N 1 3 188.315 0.983 10 0 ACAEHO COC[C@H](N[C@@H](C)[C@H](C)[NH3+])C(C)C 308135719 409687894 /nfs/dbraw/zinc/68/78/94/409687894.db2.gz NZSUZQAVJWOBIC-GUBZILKMSA-N 1 3 188.315 0.983 10 0 ACAEHO COC[C@H](N[C@H](C)[C@H](C)[NH3+])C(C)C 308135714 409689879 /nfs/dbraw/zinc/68/98/79/409689879.db2.gz NZSUZQAVJWOBIC-AEJSXWLSSA-N 1 3 188.315 0.983 10 0 ACAEHO C[N@H+](CCCCO)CC(C)(C)N 308183204 409692047 /nfs/dbraw/zinc/69/20/47/409692047.db2.gz HRAASBLUAPGSJG-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO C[N@@H+](CCCCO)CC(C)(C)N 308183204 409692051 /nfs/dbraw/zinc/69/20/51/409692051.db2.gz HRAASBLUAPGSJG-UHFFFAOYSA-N 1 3 174.288 0.428 10 0 ACAEHO C1=CCC(C[NH2+][C@@H]2CCNC2)C1 662266034 409704987 /nfs/dbraw/zinc/70/49/87/409704987.db2.gz VUHPBAPYVJAYNB-SNVBAGLBSA-N 1 3 166.268 0.904 10 0 ACAEHO CCC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 662248667 409704812 /nfs/dbraw/zinc/70/48/12/409704812.db2.gz IYMLYJNCUVYYAT-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO CCC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 662248667 409704803 /nfs/dbraw/zinc/70/48/03/409704803.db2.gz IYMLYJNCUVYYAT-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO CCC[N@H+](C)C[C@H]1CCC2(CNC2)O1 662248668 409705079 /nfs/dbraw/zinc/70/50/79/409705079.db2.gz IYMLYJNCUVYYAT-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO CCC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 662248668 409705088 /nfs/dbraw/zinc/70/50/88/409705088.db2.gz IYMLYJNCUVYYAT-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO C1=CCC(C[NH2+][C@H]2CCNC2)C1 662266033 409705382 /nfs/dbraw/zinc/70/53/82/409705382.db2.gz VUHPBAPYVJAYNB-JTQLQIEISA-N 1 3 166.268 0.904 10 0 ACAEHO CC[NH+](CC)C[C@H]1CCC2(CNC2)O1 662249330 409705815 /nfs/dbraw/zinc/70/58/15/409705815.db2.gz LMXAHMDZHCQQQE-SNVBAGLBSA-N 1 3 198.310 0.849 10 0 ACAEHO CC[NH+](CC)C[C@@H]1CCC2(CNC2)O1 662249329 409706088 /nfs/dbraw/zinc/70/60/88/409706088.db2.gz LMXAHMDZHCQQQE-JTQLQIEISA-N 1 3 198.310 0.849 10 0 ACAEHO C1CC[NH+](C[C@H]2CCC3(CNC3)O2)C1 662249037 409707826 /nfs/dbraw/zinc/70/78/26/409707826.db2.gz HEXCIOJOUMNLQU-SNVBAGLBSA-N 1 3 196.294 0.603 10 0 ACAEHO C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)C1 662249035 409708239 /nfs/dbraw/zinc/70/82/39/409708239.db2.gz HEXCIOJOUMNLQU-JTQLQIEISA-N 1 3 196.294 0.603 10 0 ACAEHO CN(C[C@@H](O)C[NH3+])C[C@H]1C[C@@H]2C[C@@H]2C1 662276892 409710514 /nfs/dbraw/zinc/71/05/14/409710514.db2.gz MSOCUJLXPWYNRQ-VLEAKVRGSA-N 1 3 198.310 0.284 10 0 ACAEHO COCC[C@@H](C)N1CC2CC1(C[NH3+])C2 662304175 409711198 /nfs/dbraw/zinc/71/11/98/409711198.db2.gz LFEAMFXXSFPFIC-KPPDAEKUSA-N 1 3 198.310 0.835 10 0 ACAEHO COCC[C@H](C)N1CC2CC1(C[NH3+])C2 662304176 409711301 /nfs/dbraw/zinc/71/13/01/409711301.db2.gz LFEAMFXXSFPFIC-WHXUTIOJSA-N 1 3 198.310 0.835 10 0 ACAEHO CN(C[C@H]1C[C@@H]2C[C@@H]2C1)C[C@H](O)C[NH3+] 662276891 409711570 /nfs/dbraw/zinc/71/15/70/409711570.db2.gz MSOCUJLXPWYNRQ-LMLFDSFASA-N 1 3 198.310 0.284 10 0 ACAEHO [NH3+]CCCN1CCC[C@@H]2OCC[C@@H]21 662298886 409712634 /nfs/dbraw/zinc/71/26/34/409712634.db2.gz RVNBMJQKCKIJFB-UWVGGRQHSA-N 1 3 184.283 0.589 10 0 ACAEHO [NH3+]CC12CC(CN1C[C@@H]1CCOC1)C2 662305822 409713674 /nfs/dbraw/zinc/71/36/74/409713674.db2.gz LCNSJMGCZMQOLF-WHXUTIOJSA-N 1 3 196.294 0.446 10 0 ACAEHO NCCC[N@@H+]1CC[C@]2(CCCOC2)C1 662315955 409713836 /nfs/dbraw/zinc/71/38/36/409713836.db2.gz RIFGMWGEELQNAP-LLVKDONJSA-N 1 3 198.310 0.838 10 0 ACAEHO NCCC[N@H+]1CC[C@]2(CCCOC2)C1 662315955 409713844 /nfs/dbraw/zinc/71/38/44/409713844.db2.gz RIFGMWGEELQNAP-LLVKDONJSA-N 1 3 198.310 0.838 10 0 ACAEHO [NH3+]CCCN1CC[C@]2(CCCOC2)C1 662315955 409713852 /nfs/dbraw/zinc/71/38/52/409713852.db2.gz RIFGMWGEELQNAP-LLVKDONJSA-N 1 3 198.310 0.838 10 0 ACAEHO [NH3+]CC12CC(CN1C[C@H]1CCOC1)C2 662305821 409714148 /nfs/dbraw/zinc/71/41/48/409714148.db2.gz LCNSJMGCZMQOLF-KPPDAEKUSA-N 1 3 196.294 0.446 10 0 ACAEHO C[C@H](N)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 662312244 409714957 /nfs/dbraw/zinc/71/49/57/409714957.db2.gz XTANOKSUPGEVFJ-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 662312244 409714968 /nfs/dbraw/zinc/71/49/68/409714968.db2.gz XTANOKSUPGEVFJ-IVZWLZJFSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 662312241 409715010 /nfs/dbraw/zinc/71/50/10/409715010.db2.gz XTANOKSUPGEVFJ-AEJSXWLSSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 662312241 409715019 /nfs/dbraw/zinc/71/50/19/409715019.db2.gz XTANOKSUPGEVFJ-AEJSXWLSSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 662312243 409715130 /nfs/dbraw/zinc/71/51/30/409715130.db2.gz XTANOKSUPGEVFJ-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1C[C@H]2COC[C@]2(C)C1 662312243 409715141 /nfs/dbraw/zinc/71/51/41/409715141.db2.gz XTANOKSUPGEVFJ-GUBZILKMSA-N 1 3 184.283 0.302 10 0 ACAEHO C[NH2+]CCCN1C[C@@H]2COC[C@@]2(C)C1 662312859 409716051 /nfs/dbraw/zinc/71/60/51/409716051.db2.gz ZTUBCXHJEKKORC-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 662312859 409716062 /nfs/dbraw/zinc/71/60/62/409716062.db2.gz ZTUBCXHJEKKORC-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 662312859 409716067 /nfs/dbraw/zinc/71/60/67/409716067.db2.gz ZTUBCXHJEKKORC-GHMZBOCLSA-N 1 3 198.310 0.564 10 0 ACAEHO C[NH2+]CCCN1C[C@@H]2COC[C@]2(C)C1 662312860 409716465 /nfs/dbraw/zinc/71/64/65/409716465.db2.gz ZTUBCXHJEKKORC-MNOVXSKESA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 662312860 409716474 /nfs/dbraw/zinc/71/64/74/409716474.db2.gz ZTUBCXHJEKKORC-MNOVXSKESA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 662312860 409716484 /nfs/dbraw/zinc/71/64/84/409716484.db2.gz ZTUBCXHJEKKORC-MNOVXSKESA-N 1 3 198.310 0.564 10 0 ACAEHO C[C@H](N)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 662312246 409716745 /nfs/dbraw/zinc/71/67/45/409716745.db2.gz XTANOKSUPGEVFJ-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO C[C@H](N)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 662312246 409716750 /nfs/dbraw/zinc/71/67/50/409716750.db2.gz XTANOKSUPGEVFJ-LPEHRKFASA-N 1 3 184.283 0.302 10 0 ACAEHO CNCCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 662312862 409716876 /nfs/dbraw/zinc/71/68/76/409716876.db2.gz ZTUBCXHJEKKORC-WDEREUQCSA-N 1 3 198.310 0.564 10 0 ACAEHO C[NH2+]CCCN1C[C@H]2COC[C@@]2(C)C1 662312862 409716866 /nfs/dbraw/zinc/71/68/66/409716866.db2.gz ZTUBCXHJEKKORC-WDEREUQCSA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 662312862 409716869 /nfs/dbraw/zinc/71/68/69/409716869.db2.gz ZTUBCXHJEKKORC-WDEREUQCSA-N 1 3 198.310 0.564 10 0 ACAEHO [NH3+]CC12CC(CN1CC1CC1)C2 662304732 409717210 /nfs/dbraw/zinc/71/72/10/409717210.db2.gz ANCBKFICRSPSKC-UHFFFAOYSA-N 1 3 166.268 0.820 10 0 ACAEHO C[NH2+]CCCN1C[C@H]2COC[C@]2(C)C1 662312861 409717624 /nfs/dbraw/zinc/71/76/24/409717624.db2.gz ZTUBCXHJEKKORC-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 662312861 409717631 /nfs/dbraw/zinc/71/76/31/409717631.db2.gz ZTUBCXHJEKKORC-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO CNCCC[N@H+]1C[C@H]2COC[C@]2(C)C1 662312861 409717638 /nfs/dbraw/zinc/71/76/38/409717638.db2.gz ZTUBCXHJEKKORC-QWRGUYRKSA-N 1 3 198.310 0.564 10 0 ACAEHO NCCC[N@@H+]1CC[C@@]2(CCCOC2)C1 662315956 409717838 /nfs/dbraw/zinc/71/78/38/409717838.db2.gz RIFGMWGEELQNAP-NSHDSACASA-N 1 3 198.310 0.838 10 0 ACAEHO NCCC[N@H+]1CC[C@@]2(CCCOC2)C1 662315956 409717844 /nfs/dbraw/zinc/71/78/44/409717844.db2.gz RIFGMWGEELQNAP-NSHDSACASA-N 1 3 198.310 0.838 10 0 ACAEHO [NH3+]CCCN1CC[C@@]2(CCCOC2)C1 662315956 409717849 /nfs/dbraw/zinc/71/78/49/409717849.db2.gz RIFGMWGEELQNAP-NSHDSACASA-N 1 3 198.310 0.838 10 0 ACAEHO CC12CC(C[N@@H+]1CCCN)C2 662335991 409720857 /nfs/dbraw/zinc/72/08/57/409720857.db2.gz BOBRRNOFDYVSTI-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO CC12CC(C[N@H+]1CCCN)C2 662335991 409720861 /nfs/dbraw/zinc/72/08/61/409720861.db2.gz BOBRRNOFDYVSTI-UHFFFAOYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[NH2+]C[C@@](C)(O)CN1CC2CC1(C)C2 662336313 409721339 /nfs/dbraw/zinc/72/13/39/409721339.db2.gz BZZNIZIENGWCRB-VQXHTEKXSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@@](C)(O)C[N@@H+]1CC2CC1(C)C2 662336313 409721330 /nfs/dbraw/zinc/72/13/30/409721330.db2.gz BZZNIZIENGWCRB-VQXHTEKXSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@@](C)(O)C[N@H+]1CC2CC1(C)C2 662336313 409721334 /nfs/dbraw/zinc/72/13/34/409721334.db2.gz BZZNIZIENGWCRB-VQXHTEKXSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@](C)(O)C[N@@H+]1CC2CC1(C)C2 662336312 409721483 /nfs/dbraw/zinc/72/14/83/409721483.db2.gz BZZNIZIENGWCRB-ILDUYXDCSA-N 1 3 198.310 0.441 10 0 ACAEHO CNC[C@](C)(O)C[N@H+]1CC2CC1(C)C2 662336312 409721487 /nfs/dbraw/zinc/72/14/87/409721487.db2.gz BZZNIZIENGWCRB-ILDUYXDCSA-N 1 3 198.310 0.441 10 0 ACAEHO C[NH2+]C[C@](C)(O)CN1CC2CC1(C)C2 662336312 409721490 /nfs/dbraw/zinc/72/14/90/409721490.db2.gz BZZNIZIENGWCRB-ILDUYXDCSA-N 1 3 198.310 0.441 10 0 ACAEHO CC(C)(C)CNC[C@@H]1C[NH2+]C[C@@H]1O 308503204 409726739 /nfs/dbraw/zinc/72/67/39/409726739.db2.gz BLFNOYYNNQIPEB-IUCAKERBSA-N 1 3 186.299 0.202 10 0 ACAEHO CC(C)(C)CNC[C@@H]1C[NH2+]C[C@H]1O 308503203 409726751 /nfs/dbraw/zinc/72/67/51/409726751.db2.gz BLFNOYYNNQIPEB-DTWKUNHWSA-N 1 3 186.299 0.202 10 0 ACAEHO CC(C)(C)CNC[C@H]1C[NH2+]C[C@@H]1O 308503202 409726821 /nfs/dbraw/zinc/72/68/21/409726821.db2.gz BLFNOYYNNQIPEB-BDAKNGLRSA-N 1 3 186.299 0.202 10 0 ACAEHO CCC[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1O 308509272 409729430 /nfs/dbraw/zinc/72/94/30/409729430.db2.gz IFBFZUIGMAUQGM-LPEHRKFASA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](C)CNC[C@@H]1C[NH2+]C[C@@H]1O 308518710 409729654 /nfs/dbraw/zinc/72/96/54/409729654.db2.gz PTHZLLSYTFTQJO-AEJSXWLSSA-N 1 3 186.299 0.202 10 0 ACAEHO CC[C@H](C)C[NH2+]C[C@@H]1CNC[C@@H]1O 308518710 409729659 /nfs/dbraw/zinc/72/96/59/409729659.db2.gz PTHZLLSYTFTQJO-AEJSXWLSSA-N 1 3 186.299 0.202 10 0 ACAEHO C[C@@H]([NH3+])CN(C)[C@@H]1CCN(C2CC2)C1 308521131 409729792 /nfs/dbraw/zinc/72/97/92/409729792.db2.gz XWUTYCBSFKJGPB-MWLCHTKSSA-N 1 3 197.326 0.502 10 0 ACAEHO CC[C@H](C)CNC[C@H]1C[NH2+]C[C@@H]1O 308518713 409729949 /nfs/dbraw/zinc/72/99/49/409729949.db2.gz PTHZLLSYTFTQJO-GUBZILKMSA-N 1 3 186.299 0.202 10 0 ACAEHO CC[C@H](C)C[NH2+]C[C@H]1CNC[C@@H]1O 308518713 409729957 /nfs/dbraw/zinc/72/99/57/409729957.db2.gz PTHZLLSYTFTQJO-GUBZILKMSA-N 1 3 186.299 0.202 10 0 ACAEHO CC[C@H](C)CNC[C@@H]1C[NH2+]C[C@H]1O 308518716 409730334 /nfs/dbraw/zinc/73/03/34/409730334.db2.gz PTHZLLSYTFTQJO-IVZWLZJFSA-N 1 3 186.299 0.202 10 0 ACAEHO CC[C@H](C)C[NH2+]C[C@@H]1CNC[C@H]1O 308518716 409730337 /nfs/dbraw/zinc/73/03/37/409730337.db2.gz PTHZLLSYTFTQJO-IVZWLZJFSA-N 1 3 186.299 0.202 10 0 ACAEHO CCC[C@H](C)NC[C@H]1C[NH2+]C[C@H]1O 308509271 409730682 /nfs/dbraw/zinc/73/06/82/409730682.db2.gz IFBFZUIGMAUQGM-IVZWLZJFSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]([NH3+])CN(C)[C@H]1CCN(C2CC2)C1 308521132 409730791 /nfs/dbraw/zinc/73/07/91/409730791.db2.gz XWUTYCBSFKJGPB-ONGXEEELSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@H]([NH3+])CN(C)[C@@H]1CCN(C2CC2)C1 308521129 409731254 /nfs/dbraw/zinc/73/12/54/409731254.db2.gz XWUTYCBSFKJGPB-GXSJLCMTSA-N 1 3 197.326 0.502 10 0 ACAEHO CCC[C@H](C)NC[C@@H]1C[NH2+]C[C@@H]1O 308509270 409731336 /nfs/dbraw/zinc/73/13/36/409731336.db2.gz IFBFZUIGMAUQGM-GUBZILKMSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]([NH3+])CN(C)[C@H]1CCN(C2CC2)C1 308521130 409731381 /nfs/dbraw/zinc/73/13/81/409731381.db2.gz XWUTYCBSFKJGPB-KOLCDFICSA-N 1 3 197.326 0.502 10 0 ACAEHO COC[C@@H](CC(C)C)NCCC[NH3+] 308588054 409736233 /nfs/dbraw/zinc/73/62/33/409736233.db2.gz TVVYYFBLUGHZNK-SNVBAGLBSA-N 1 3 188.315 0.986 10 0 ACAEHO COC[C@@H](CC(C)C)[NH2+]CCCN 308588054 409736239 /nfs/dbraw/zinc/73/62/39/409736239.db2.gz TVVYYFBLUGHZNK-SNVBAGLBSA-N 1 3 188.315 0.986 10 0 ACAEHO COC[C@H](CC(C)C)NCCC[NH3+] 308588053 409736842 /nfs/dbraw/zinc/73/68/42/409736842.db2.gz TVVYYFBLUGHZNK-JTQLQIEISA-N 1 3 188.315 0.986 10 0 ACAEHO COC[C@H](CC(C)C)[NH2+]CCCN 308588053 409736846 /nfs/dbraw/zinc/73/68/46/409736846.db2.gz TVVYYFBLUGHZNK-JTQLQIEISA-N 1 3 188.315 0.986 10 0 ACAEHO CC(C)(N)C[N@@H+]1CC[C@@H](CCO)C1 308593455 409739818 /nfs/dbraw/zinc/73/98/18/409739818.db2.gz XAVBBENKDQRANF-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(N)C[N@H+]1CC[C@@H](CCO)C1 308593455 409739822 /nfs/dbraw/zinc/73/98/22/409739822.db2.gz XAVBBENKDQRANF-VIFPVBQESA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(N)C[N@@H+]1CC[C@H](CCO)C1 308593454 409740730 /nfs/dbraw/zinc/74/07/30/409740730.db2.gz XAVBBENKDQRANF-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(N)C[N@H+]1CC[C@H](CCO)C1 308593454 409740737 /nfs/dbraw/zinc/74/07/37/409740737.db2.gz XAVBBENKDQRANF-SECBINFHSA-N 1 3 186.299 0.428 10 0 ACAEHO CCC[C@@H](N)C(=O)NCC1([NH3+])CCC1 309002227 409764041 /nfs/dbraw/zinc/76/40/41/409764041.db2.gz OMEOBAXYVCIJTE-MRVPVSSYSA-N 1 3 199.298 0.111 10 0 ACAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H]1C 309108874 409770056 /nfs/dbraw/zinc/77/00/56/409770056.db2.gz IYHRDIBOOCSJFA-VGMNWLOBSA-N 1 3 199.298 0.062 10 0 ACAEHO CCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C 309108850 409770196 /nfs/dbraw/zinc/77/01/96/409770196.db2.gz IYHRDIBOOCSJFA-CIUDSAMLSA-N 1 3 199.298 0.062 10 0 ACAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C 309108883 409770235 /nfs/dbraw/zinc/77/02/35/409770235.db2.gz IYHRDIBOOCSJFA-YIZRAAEISA-N 1 3 199.298 0.062 10 0 ACAEHO CCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH3+] 309155415 409770255 /nfs/dbraw/zinc/77/02/55/409770255.db2.gz XHMKJACCUWCPHI-DTWKUNHWSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] 309155411 409770631 /nfs/dbraw/zinc/77/06/31/409770631.db2.gz XHMKJACCUWCPHI-BDAKNGLRSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H]1C 309108861 409770718 /nfs/dbraw/zinc/77/07/18/409770718.db2.gz IYHRDIBOOCSJFA-HLTSFMKQSA-N 1 3 199.298 0.062 10 0 ACAEHO CCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] 309155418 409770845 /nfs/dbraw/zinc/77/08/45/409770845.db2.gz XHMKJACCUWCPHI-RKDXNWHRSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C 309108878 409771136 /nfs/dbraw/zinc/77/11/36/409771136.db2.gz IYHRDIBOOCSJFA-XHNCKOQMSA-N 1 3 199.298 0.062 10 0 ACAEHO CCC[C@@H](N)C(=O)N1CCC([NH3+])CC1 309119483 409771808 /nfs/dbraw/zinc/77/18/08/409771808.db2.gz MZOQNRHVNOJODD-SECBINFHSA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@H](N)C(=O)N1CCC[C@H]1C[NH3+] 309155417 409771844 /nfs/dbraw/zinc/77/18/44/409771844.db2.gz XHMKJACCUWCPHI-IUCAKERBSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@@H]1C[C@@H]1C[NH2+]CC12CC(CN1)C2 663500827 409784385 /nfs/dbraw/zinc/78/43/85/409784385.db2.gz PBBCSPCHKWOFSN-BZCXBAJXSA-N 1 3 180.295 0.984 10 0 ACAEHO C1CC1C[NH2+]CC12CC(CN1)C2 663502337 409784805 /nfs/dbraw/zinc/78/48/05/409784805.db2.gz TYXVYAYXPNVTSK-UHFFFAOYSA-N 1 3 166.268 0.738 10 0 ACAEHO CC(C)CNCC12CC(C[NH2+]1)C2 663497981 409784859 /nfs/dbraw/zinc/78/48/59/409784859.db2.gz LXZKQCDUEUKMFW-UHFFFAOYSA-N 1 3 168.284 0.984 10 0 ACAEHO CC(C)C[NH2+]CC12CC(CN1)C2 663497981 409784867 /nfs/dbraw/zinc/78/48/67/409784867.db2.gz LXZKQCDUEUKMFW-UHFFFAOYSA-N 1 3 168.284 0.984 10 0 ACAEHO COC[C@H](C)C[NH2+]CC12CC(CN1)C2 663500616 409784903 /nfs/dbraw/zinc/78/49/03/409784903.db2.gz LVSAHIYYDBRCFF-KPPDAEKUSA-N 1 3 198.310 0.611 10 0 ACAEHO COC[C@@H](C)C[NH2+]CC12CC(CN1)C2 663500618 409785234 /nfs/dbraw/zinc/78/52/34/409785234.db2.gz LVSAHIYYDBRCFF-WHXUTIOJSA-N 1 3 198.310 0.611 10 0 ACAEHO C1CC([NH2+]CC23CC(CN2)C3)CCO1 663498290 409785493 /nfs/dbraw/zinc/78/54/93/409785493.db2.gz OKUVWKVLHJOGHG-UHFFFAOYSA-N 1 3 196.294 0.507 10 0 ACAEHO C[C@@H]1C[C@H]1C[NH2+]CC12CC(CN1)C2 663500830 409785537 /nfs/dbraw/zinc/78/55/37/409785537.db2.gz PBBCSPCHKWOFSN-VKAADOFISA-N 1 3 180.295 0.984 10 0 ACAEHO C[C@H]1C[C@@H]1C[NH2+]CC12CC(CN1)C2 663500829 409785783 /nfs/dbraw/zinc/78/57/83/409785783.db2.gz PBBCSPCHKWOFSN-QPBDYMMBSA-N 1 3 180.295 0.984 10 0 ACAEHO C[C@H]1C[C@H]1C[NH2+]CC12CC(CN1)C2 663500831 409785858 /nfs/dbraw/zinc/78/58/58/409785858.db2.gz PBBCSPCHKWOFSN-XEAZBWPWSA-N 1 3 180.295 0.984 10 0 ACAEHO C[NH2+]C[C@H](C)NC[C@H](C)COC 663512002 409788332 /nfs/dbraw/zinc/78/83/32/409788332.db2.gz DTILWHMXSPQIQG-IUCAKERBSA-N 1 3 174.288 0.466 10 0 ACAEHO C[NH2+]C[C@H](C)NC[C@@H](C)COC 663511996 409788823 /nfs/dbraw/zinc/78/88/23/409788823.db2.gz DTILWHMXSPQIQG-BDAKNGLRSA-N 1 3 174.288 0.466 10 0 ACAEHO CC(C)([NH3+])CN1CC[C@@H](F)[C@H](N)C1 663504992 409789662 /nfs/dbraw/zinc/78/96/62/409789662.db2.gz FESRUZQVEVKXAB-HTQZYQBOSA-N 1 3 189.278 0.095 10 0 ACAEHO C[NH2+]C[C@@H](C)NC[C@@H](C)COC 663512007 409790526 /nfs/dbraw/zinc/79/05/26/409790526.db2.gz DTILWHMXSPQIQG-RKDXNWHRSA-N 1 3 174.288 0.466 10 0 ACAEHO C[NH2+]C[C@@H](C)NC[C@H](C)COC 663511999 409790973 /nfs/dbraw/zinc/79/09/73/409790973.db2.gz DTILWHMXSPQIQG-DTWKUNHWSA-N 1 3 174.288 0.466 10 0 ACAEHO CO[C@H](CNC1CC[NH2+]CC1)C1CC1 378767692 409798014 /nfs/dbraw/zinc/79/80/14/409798014.db2.gz YXDFPPRJJIMSCP-LLVKDONJSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H](C[NH2+]C1CCNCC1)C1CC1 378767692 409798026 /nfs/dbraw/zinc/79/80/26/409798026.db2.gz YXDFPPRJJIMSCP-LLVKDONJSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@@H](CNC1CC[NH2+]CC1)C1CC1 378767698 409798178 /nfs/dbraw/zinc/79/81/78/409798178.db2.gz YXDFPPRJJIMSCP-NSHDSACASA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@@H](C[NH2+]C1CCNCC1)C1CC1 378767698 409798187 /nfs/dbraw/zinc/79/81/87/409798187.db2.gz YXDFPPRJJIMSCP-NSHDSACASA-N 1 3 198.310 0.753 10 0 ACAEHO COC(C)(C)CN(C)CCC[NH3+] 379238417 409822099 /nfs/dbraw/zinc/82/20/99/409822099.db2.gz UVYOBAKFNVGSBR-UHFFFAOYSA-N 1 3 174.288 0.692 10 0 ACAEHO COC[C@@H](C)CN(C)C1CC([NH3+])C1 379374391 409837411 /nfs/dbraw/zinc/83/74/11/409837411.db2.gz MWGFHDXDFAWEJO-IDKOKCKLSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@@H](C)C[N@H+](C)C1CC(N)C1 379374391 409837416 /nfs/dbraw/zinc/83/74/16/409837416.db2.gz MWGFHDXDFAWEJO-IDKOKCKLSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@@H](C)C[N@@H+](C)C1CC(N)C1 379374391 409837419 /nfs/dbraw/zinc/83/74/19/409837419.db2.gz MWGFHDXDFAWEJO-IDKOKCKLSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)CN(C)C1CC([NH3+])C1 379374392 409838816 /nfs/dbraw/zinc/83/88/16/409838816.db2.gz MWGFHDXDFAWEJO-XNWIYYODSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)C[N@H+](C)C1CC(N)C1 379374392 409838819 /nfs/dbraw/zinc/83/88/19/409838819.db2.gz MWGFHDXDFAWEJO-XNWIYYODSA-N 1 3 186.299 0.690 10 0 ACAEHO COC[C@H](C)C[N@@H+](C)C1CC(N)C1 379374392 409838823 /nfs/dbraw/zinc/83/88/23/409838823.db2.gz MWGFHDXDFAWEJO-XNWIYYODSA-N 1 3 186.299 0.690 10 0 ACAEHO NC[C@@H]1CCC[N@@H+]1CCc1cn[nH]c1 379543081 409849553 /nfs/dbraw/zinc/84/95/53/409849553.db2.gz RZHZEWZGDOGCGV-JTQLQIEISA-N 1 3 194.282 0.375 10 0 ACAEHO NC[C@@H]1CCC[N@H+]1CCc1cn[nH]c1 379543081 409849560 /nfs/dbraw/zinc/84/95/60/409849560.db2.gz RZHZEWZGDOGCGV-JTQLQIEISA-N 1 3 194.282 0.375 10 0 ACAEHO C[C@H]([NH2+]C[C@@H]1CCCO1)C1CNC1 665236827 409851957 /nfs/dbraw/zinc/85/19/57/409851957.db2.gz VFOCUODJMRWNTB-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO OC[C@@H]([NH2+]C1CCNCC1)C1CCC1 665235516 409851848 /nfs/dbraw/zinc/85/18/48/409851848.db2.gz WYCFSRZHRLNISX-LLVKDONJSA-N 1 3 198.310 0.489 10 0 ACAEHO OC[C@@H](NC1CC[NH2+]CC1)C1CCC1 665235516 409851850 /nfs/dbraw/zinc/85/18/50/409851850.db2.gz WYCFSRZHRLNISX-LLVKDONJSA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@H](NC[C@@H]1CCCO1)C1C[NH2+]C1 665236827 409851952 /nfs/dbraw/zinc/85/19/52/409851952.db2.gz VFOCUODJMRWNTB-WPRPVWTQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H](N[C@H](CO)C1CCC1)C1C[NH2+]C1 665234617 409852203 /nfs/dbraw/zinc/85/22/03/409852203.db2.gz HEPNOZOUNRUBIX-LDYMZIIASA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH2+][C@H](CO)C1CCC1)C1CNC1 665234617 409852205 /nfs/dbraw/zinc/85/22/05/409852205.db2.gz HEPNOZOUNRUBIX-LDYMZIIASA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H](N[C@@H](CO)C1CCC1)C1C[NH2+]C1 665234615 409852309 /nfs/dbraw/zinc/85/23/09/409852309.db2.gz HEPNOZOUNRUBIX-KCJUWKMLSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH2+][C@@H](CO)C1CCC1)C1CNC1 665234615 409852316 /nfs/dbraw/zinc/85/23/16/409852316.db2.gz HEPNOZOUNRUBIX-KCJUWKMLSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)NC[C@@H]1CCCO1 665235823 409852725 /nfs/dbraw/zinc/85/27/25/409852725.db2.gz ARIQXYKOSCBSDW-AEJSXWLSSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])NC[C@@H]1CCCO1 665235826 409852896 /nfs/dbraw/zinc/85/28/96/409852896.db2.gz ARIQXYKOSCBSDW-UTLUCORTSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H]1CCCO1 665235824 409853339 /nfs/dbraw/zinc/85/33/39/409853339.db2.gz ARIQXYKOSCBSDW-BBBLOLIVSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@@H](NC[C@@H]1CCCO1)C1C[NH2+]C1 665236826 409853404 /nfs/dbraw/zinc/85/34/04/409853404.db2.gz VFOCUODJMRWNTB-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]([NH2+]C[C@@H]1CCCO1)C1CNC1 665236826 409853411 /nfs/dbraw/zinc/85/34/11/409853411.db2.gz VFOCUODJMRWNTB-SCZZXKLOSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H](N[C@H](CO)C1CCC1)C1C[NH2+]C1 665234614 409853445 /nfs/dbraw/zinc/85/34/45/409853445.db2.gz HEPNOZOUNRUBIX-GZMMTYOYSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+][C@H](CO)C1CCC1)C1CNC1 665234614 409853451 /nfs/dbraw/zinc/85/34/51/409853451.db2.gz HEPNOZOUNRUBIX-GZMMTYOYSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCO1 665235825 409854112 /nfs/dbraw/zinc/85/41/12/409854112.db2.gz ARIQXYKOSCBSDW-GUBZILKMSA-N 1 3 186.299 0.881 10 0 ACAEHO C[C@H](N[C@@H](CO)C1CCC1)C1C[NH2+]C1 665234616 409854261 /nfs/dbraw/zinc/85/42/61/409854261.db2.gz HEPNOZOUNRUBIX-KWQFWETISA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+][C@@H](CO)C1CCC1)C1CNC1 665234616 409854265 /nfs/dbraw/zinc/85/42/65/409854265.db2.gz HEPNOZOUNRUBIX-KWQFWETISA-N 1 3 198.310 0.345 10 0 ACAEHO OC[C@H]([NH2+]C1CCNCC1)C1CCC1 665235517 409854441 /nfs/dbraw/zinc/85/44/41/409854441.db2.gz WYCFSRZHRLNISX-NSHDSACASA-N 1 3 198.310 0.489 10 0 ACAEHO OC[C@H](NC1CC[NH2+]CC1)C1CCC1 665235517 409854447 /nfs/dbraw/zinc/85/44/47/409854447.db2.gz WYCFSRZHRLNISX-NSHDSACASA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCNC1)[C@@H]1C[C@H]1C 665241289 409856201 /nfs/dbraw/zinc/85/62/01/409856201.db2.gz HDZLDJADTBJKMI-XFWSIPNHSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@H](NC[C@H]1CCCO1)C1C[NH2+]C1 665238285 409857252 /nfs/dbraw/zinc/85/72/52/409857252.db2.gz VFOCUODJMRWNTB-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CCCO1)C1CNC1 665238285 409857260 /nfs/dbraw/zinc/85/72/60/409857260.db2.gz VFOCUODJMRWNTB-WCBMZHEXSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H](NC[C@H]1CCCO1)C1C[NH2+]C1 665238284 409857703 /nfs/dbraw/zinc/85/77/03/409857703.db2.gz VFOCUODJMRWNTB-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]([NH2+]C[C@H]1CCCO1)C1CNC1 665238284 409857712 /nfs/dbraw/zinc/85/77/12/409857712.db2.gz VFOCUODJMRWNTB-PSASIEDQSA-N 1 3 184.283 0.363 10 0 ACAEHO C[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@H]1CCNC1 665241288 409857872 /nfs/dbraw/zinc/85/78/72/409857872.db2.gz HDZLDJADTBJKMI-DOLQZWNJSA-N 1 3 168.284 0.982 10 0 ACAEHO CC1(CNC[C@@H]2C[NH2+]C[C@H]2O)CCC1 379927801 409869035 /nfs/dbraw/zinc/86/90/35/409869035.db2.gz MMWCAYCJFPMWSY-VHSXEESVSA-N 1 3 198.310 0.347 10 0 ACAEHO OCC[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 380011209 409869128 /nfs/dbraw/zinc/86/91/28/409869128.db2.gz RQAQQKRAHMHQFJ-GHMZBOCLSA-N 1 3 198.310 0.300 10 0 ACAEHO CC1(CNC[C@H]2C[NH2+]C[C@@H]2O)CCC1 379927802 409869632 /nfs/dbraw/zinc/86/96/32/409869632.db2.gz MMWCAYCJFPMWSY-ZJUUUORDSA-N 1 3 198.310 0.347 10 0 ACAEHO OCC[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 380011210 409869966 /nfs/dbraw/zinc/86/99/66/409869966.db2.gz RQAQQKRAHMHQFJ-MNOVXSKESA-N 1 3 198.310 0.300 10 0 ACAEHO CC1(CNC[C@@H]2C[NH2+]C[C@@H]2O)CCC1 379927800 409870685 /nfs/dbraw/zinc/87/06/85/409870685.db2.gz MMWCAYCJFPMWSY-UWVGGRQHSA-N 1 3 198.310 0.347 10 0 ACAEHO OCC[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 380011212 409871031 /nfs/dbraw/zinc/87/10/31/409871031.db2.gz RQAQQKRAHMHQFJ-WDEREUQCSA-N 1 3 198.310 0.300 10 0 ACAEHO OCC[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 380011211 409871159 /nfs/dbraw/zinc/87/11/59/409871159.db2.gz RQAQQKRAHMHQFJ-QWRGUYRKSA-N 1 3 198.310 0.300 10 0 ACAEHO C[NH2+]C[C@H](C)N[C@@H]1CN(C)C[C@@H]1C 665296098 409871330 /nfs/dbraw/zinc/87/13/30/409871330.db2.gz MSTYEDLAHNSHDG-LPEHRKFASA-N 1 3 185.315 0.134 10 0 ACAEHO C[NH2+]C[C@H](C)N[C@H]1CN(C)C[C@@H]1C 665296096 409871680 /nfs/dbraw/zinc/87/16/80/409871680.db2.gz MSTYEDLAHNSHDG-GUBZILKMSA-N 1 3 185.315 0.134 10 0 ACAEHO C[NH2+]C[C@H](C)N[C@@H]1CN(C)C[C@H]1C 665296097 409872673 /nfs/dbraw/zinc/87/26/73/409872673.db2.gz MSTYEDLAHNSHDG-KXUCPTDWSA-N 1 3 185.315 0.134 10 0 ACAEHO C[NH2+]C[C@H](C)N[C@H]1CN(C)C[C@H]1C 665296099 409873836 /nfs/dbraw/zinc/87/38/36/409873836.db2.gz MSTYEDLAHNSHDG-UTLUCORTSA-N 1 3 185.315 0.134 10 0 ACAEHO FCCOCC[NH2+]C1CCNCC1 665299668 409875436 /nfs/dbraw/zinc/87/54/36/409875436.db2.gz QZTXGKMPXOACGS-UHFFFAOYSA-N 1 3 190.262 0.314 10 0 ACAEHO C[C@@H]1C[C@@H](NCCC[NH3+])[C@@H](C)O1 384681556 409910382 /nfs/dbraw/zinc/91/03/82/409910382.db2.gz DTTREZMSGJIEJK-IWSPIJDZSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1C[C@@H]([NH2+]CCCN)[C@@H](C)O1 384681556 409910386 /nfs/dbraw/zinc/91/03/86/409910386.db2.gz DTTREZMSGJIEJK-IWSPIJDZSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@H]1NCCC[NH3+] 384681554 409911692 /nfs/dbraw/zinc/91/16/92/409911692.db2.gz DTTREZMSGJIEJK-HRDYMLBCSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@H]1[NH2+]CCCN 384681554 409911699 /nfs/dbraw/zinc/91/16/99/409911699.db2.gz DTTREZMSGJIEJK-HRDYMLBCSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1C[C@H](NCCC[NH3+])[C@@H](C)O1 384681553 409911734 /nfs/dbraw/zinc/91/17/34/409911734.db2.gz DTTREZMSGJIEJK-HLTSFMKQSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1C[C@H]([NH2+]CCCN)[C@@H](C)O1 384681553 409911738 /nfs/dbraw/zinc/91/17/38/409911738.db2.gz DTTREZMSGJIEJK-HLTSFMKQSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1NCCC[NH3+] 384681557 409911767 /nfs/dbraw/zinc/91/17/67/409911767.db2.gz DTTREZMSGJIEJK-VGMNWLOBSA-N 1 3 172.272 0.491 10 0 ACAEHO C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]CCCN 384681557 409911772 /nfs/dbraw/zinc/91/17/72/409911772.db2.gz DTTREZMSGJIEJK-VGMNWLOBSA-N 1 3 172.272 0.491 10 0 ACAEHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC1 388250850 409949169 /nfs/dbraw/zinc/94/91/69/409949169.db2.gz SVDSIQBFFUGPDQ-UTLUCORTSA-N 1 3 168.284 0.984 10 0 ACAEHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC1 388250849 409950288 /nfs/dbraw/zinc/95/02/88/409950288.db2.gz SVDSIQBFFUGPDQ-KXUCPTDWSA-N 1 3 168.284 0.984 10 0 ACAEHO CCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 389257274 409967860 /nfs/dbraw/zinc/96/78/60/409967860.db2.gz FGNICEIAKGQQDF-GARJFASQSA-N 1 3 198.310 0.692 10 0 ACAEHO CCOCCN1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 389257275 409968767 /nfs/dbraw/zinc/96/87/67/409968767.db2.gz FGNICEIAKGQQDF-HBNTYKKESA-N 1 3 198.310 0.692 10 0 ACAEHO CCOCCN1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 389257272 409969157 /nfs/dbraw/zinc/96/91/57/409969157.db2.gz FGNICEIAKGQQDF-AXFHLTTASA-N 1 3 198.310 0.692 10 0 ACAEHO CCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 389257273 409969545 /nfs/dbraw/zinc/96/95/45/409969545.db2.gz FGNICEIAKGQQDF-DCAQKATOSA-N 1 3 198.310 0.692 10 0 ACAEHO CCC[C@H](N)C(=O)N1CCC([NH3+])CC1 389713680 409972368 /nfs/dbraw/zinc/97/23/68/409972368.db2.gz MZOQNRHVNOJODD-VIFPVBQESA-N 1 3 199.298 0.064 10 0 ACAEHO CCC[C@H](N)C(=O)NCC1([NH3+])CCC1 389940621 409973433 /nfs/dbraw/zinc/97/34/33/409973433.db2.gz OMEOBAXYVCIJTE-QMMMGPOBSA-N 1 3 199.298 0.111 10 0 ACAEHO C[NH2+][C@@H](C)CN[C@H](C)C1CC1 397989614 410017119 /nfs/dbraw/zinc/01/71/19/410017119.db2.gz HYGSYCYXFAIXTQ-JGVFFNPUSA-N 1 3 156.273 0.982 10 0 ACAEHO C[NH2+][C@@H](C)CN[C@@H](C)C1CC1 397989620 410017233 /nfs/dbraw/zinc/01/72/33/410017233.db2.gz HYGSYCYXFAIXTQ-YUMQZZPRSA-N 1 3 156.273 0.982 10 0 ACAEHO C[NH2+][C@H](C)CN[C@H](C)C1CC1 397989611 410017848 /nfs/dbraw/zinc/01/78/48/410017848.db2.gz HYGSYCYXFAIXTQ-HTQZYQBOSA-N 1 3 156.273 0.982 10 0 ACAEHO CNCCC[NH2+][C@H](C)C1CC1 397978466 410018043 /nfs/dbraw/zinc/01/80/43/410018043.db2.gz DNTFZBLPOKDTGS-MRVPVSSYSA-N 1 3 156.273 0.984 10 0 ACAEHO CNCCC[NH2+][C@@H](C)C1CC1 397978467 410018230 /nfs/dbraw/zinc/01/82/30/410018230.db2.gz DNTFZBLPOKDTGS-QMMMGPOBSA-N 1 3 156.273 0.984 10 0 ACAEHO C[NH2+][C@H](C)CN[C@@H](C)C1CC1 397989617 410018692 /nfs/dbraw/zinc/01/86/92/410018692.db2.gz HYGSYCYXFAIXTQ-SFYZADRCSA-N 1 3 156.273 0.982 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1CC[C@H]1CCOC1 400606779 410028985 /nfs/dbraw/zinc/02/89/85/410028985.db2.gz FZNBQNYKKXUKJW-QWRGUYRKSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCCN1CC[C@@H]1CCOC1 400606775 410029959 /nfs/dbraw/zinc/02/99/59/410029959.db2.gz FZNBQNYKKXUKJW-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCCN1CC[C@@H]1CCOC1 400606777 410030659 /nfs/dbraw/zinc/03/06/59/410030659.db2.gz FZNBQNYKKXUKJW-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@H]1CCCN1CC[C@H]1CCOC1 400606780 410031123 /nfs/dbraw/zinc/03/11/23/410031123.db2.gz FZNBQNYKKXUKJW-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO CC[N@H+](C[C@H](C)N)[C@H]1CCCOC1 402585180 410035173 /nfs/dbraw/zinc/03/51/73/410035173.db2.gz HJNFWHVECUPOLR-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](C[C@H](C)N)[C@H]1CCCOC1 402585180 410035178 /nfs/dbraw/zinc/03/51/78/410035178.db2.gz HJNFWHVECUPOLR-UWVGGRQHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@H+](C[C@@H](C)N)[C@@H]1CCCOC1 402585177 410035340 /nfs/dbraw/zinc/03/53/40/410035340.db2.gz HJNFWHVECUPOLR-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](C[C@@H](C)N)[C@@H]1CCCOC1 402585177 410035345 /nfs/dbraw/zinc/03/53/45/410035345.db2.gz HJNFWHVECUPOLR-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](N[C@@H]1CO[C@H](C)C1)[C@@H]1CC[NH2+]C1 402180270 410035435 /nfs/dbraw/zinc/03/54/35/410035435.db2.gz ZVKSWAPAWQVTER-YTWAJWBKSA-N 1 3 198.310 0.751 10 0 ACAEHO CC[N@H+](C[C@@H](C)N)[C@H]1CCCOC1 402585184 410035510 /nfs/dbraw/zinc/03/55/10/410035510.db2.gz HJNFWHVECUPOLR-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](C[C@@H](C)N)[C@H]1CCCOC1 402585184 410035511 /nfs/dbraw/zinc/03/55/11/410035511.db2.gz HJNFWHVECUPOLR-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@H+](C[C@H](C)N)[C@@H]1CCCOC1 402585182 410035588 /nfs/dbraw/zinc/03/55/88/410035588.db2.gz HJNFWHVECUPOLR-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO CC[N@@H+](C[C@H](C)N)[C@@H]1CCCOC1 402585182 410035591 /nfs/dbraw/zinc/03/55/91/410035591.db2.gz HJNFWHVECUPOLR-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[NH2+]C2)CO1 402180272 410035717 /nfs/dbraw/zinc/03/57/17/410035717.db2.gz ZVKSWAPAWQVTER-ZNSHCXBVSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H](N[C@@H]1CO[C@H](C)C1)[C@H]1CC[NH2+]C1 402180268 410036064 /nfs/dbraw/zinc/03/60/64/410036064.db2.gz ZVKSWAPAWQVTER-RCWTZXSCSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)CO1 402105939 410036090 /nfs/dbraw/zinc/03/60/90/410036090.db2.gz WQFASKQYQRGWEH-VWYCJHECSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[NH2+]C2)CO1 402180265 410036125 /nfs/dbraw/zinc/03/61/25/410036125.db2.gz ZVKSWAPAWQVTER-DBIOUOCHSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)CO1 402105938 410036154 /nfs/dbraw/zinc/03/61/54/410036154.db2.gz WQFASKQYQRGWEH-OUAUKWLOSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CO1 402105937 410036239 /nfs/dbraw/zinc/03/62/39/410036239.db2.gz WQFASKQYQRGWEH-MXWKQRLJSA-N 1 3 198.310 0.896 10 0 ACAEHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CO1 402105936 410036337 /nfs/dbraw/zinc/03/63/37/410036337.db2.gz WQFASKQYQRGWEH-GMTAPVOTSA-N 1 3 198.310 0.896 10 0 ACAEHO CCN1CCN(CC)CC(C[NH3+])C1 536953280 410049517 /nfs/dbraw/zinc/04/95/17/410049517.db2.gz GMYHBQMXDSZVBJ-UHFFFAOYSA-N 1 3 185.315 0.219 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1Cn1ccnc1N 575455971 410056057 /nfs/dbraw/zinc/05/60/57/410056057.db2.gz XTGZBTOOFUMEGT-MRVPVSSYSA-N 1 3 180.255 0.560 10 0 ACAEHO C[N@H+]1CCC[C@@H]1Cn1ccnc1N 575455971 410056059 /nfs/dbraw/zinc/05/60/59/410056059.db2.gz XTGZBTOOFUMEGT-MRVPVSSYSA-N 1 3 180.255 0.560 10 0 ACAEHO C[N@@H+]1CCC[C@H]1Cn1ccnc1N 575455972 410056133 /nfs/dbraw/zinc/05/61/33/410056133.db2.gz XTGZBTOOFUMEGT-QMMMGPOBSA-N 1 3 180.255 0.560 10 0 ACAEHO C[N@H+]1CCC[C@H]1Cn1ccnc1N 575455972 410056138 /nfs/dbraw/zinc/05/61/38/410056138.db2.gz XTGZBTOOFUMEGT-QMMMGPOBSA-N 1 3 180.255 0.560 10 0 ACAEHO Cc1cnccc1-n1cc[nH+]c1N 575566347 410106367 /nfs/dbraw/zinc/10/63/67/410106367.db2.gz UTIHIPDWZWPMEZ-UHFFFAOYSA-N 1 3 174.207 1.158 10 0 ACAEHO [NH3+]CC1(CCNCc2cc[nH]n2)CC1 650712462 410274917 /nfs/dbraw/zinc/27/49/17/410274917.db2.gz DOZDIFRTHWXQGR-UHFFFAOYSA-N 1 3 194.282 0.628 10 0 ACAEHO [NH3+][C@H](CCO)CN1CC[C@H]2CCC[C@@H]21 393451663 572004204 /nfs/dbraw/zinc/00/42/04/572004204.db2.gz FWFPTBIJEMJDMF-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO CN1CC[C@]2(CC[C@@H](C[NH3+])O2)C1 686232814 572039927 /nfs/dbraw/zinc/03/99/27/572039927.db2.gz KYLWALMLSOZDLP-DTWKUNHWSA-N 1 3 170.256 0.198 10 0 ACAEHO CN1CC[C@@]2(CC[C@H](C[NH3+])O2)C1 686232813 572039950 /nfs/dbraw/zinc/03/99/50/572039950.db2.gz KYLWALMLSOZDLP-BDAKNGLRSA-N 1 3 170.256 0.198 10 0 ACAEHO C[NH2+]CCN1CCN(C(C)C)CC1 36190248 572043767 /nfs/dbraw/zinc/04/37/67/572043767.db2.gz AKTVHYUYQQUQHV-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO CC[C@H](CC[NH3+])N1CCN(C)CC1 36677443 572060179 /nfs/dbraw/zinc/06/01/79/572060179.db2.gz QHWVYXSLFFXXCO-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO CCN1CC[C@H]([NH3+])[C@@H](N2CCCC2)C1 250221605 572060185 /nfs/dbraw/zinc/06/01/85/572060185.db2.gz DWXDBZBLFRHFGN-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@H](CC(N)=[NH2+])N1CCN(C)CC1 36677945 572060186 /nfs/dbraw/zinc/06/01/86/572060186.db2.gz ZNHTZSHPBLCNNZ-SECBINFHSA-N 1 3 198.314 0.338 10 0 ACAEHO CCN1CC[C@H](N)[C@@H]([NH+]2CCCC2)C1 250221605 572060188 /nfs/dbraw/zinc/06/01/88/572060188.db2.gz DWXDBZBLFRHFGN-QWRGUYRKSA-N 1 3 197.326 0.504 10 0 ACAEHO CC[C@H](CC[NH3+])N1CCN(CC)CC1 36677479 572060213 /nfs/dbraw/zinc/06/02/13/572060213.db2.gz JIUJVFLLWRPCNZ-LLVKDONJSA-N 1 3 199.342 0.751 10 0 ACAEHO CC(C)[C@H](C)N(C)[C@@H](CO)[C@@H](C)[NH3+] 82987119 572164918 /nfs/dbraw/zinc/16/49/18/572164918.db2.gz SZVBUZRYAJMLNR-UTLUCORTSA-N 1 3 188.315 0.671 10 0 ACAEHO CC[NH2+]C[C@H](O)[C@H]1C[C@H](C)CCN1 84992538 572086708 /nfs/dbraw/zinc/08/67/08/572086708.db2.gz PLSSUJNBBMJUQA-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO CCNC[C@H](O)[C@H]1C[C@H](C)CC[NH2+]1 84992538 572086712 /nfs/dbraw/zinc/08/67/12/572086712.db2.gz PLSSUJNBBMJUQA-BBBLOLIVSA-N 1 3 186.299 0.345 10 0 ACAEHO CC(C)[N@@H+]1CC[C@@H](C)N(C)C[C@@H]1CN 251747610 572628387 /nfs/dbraw/zinc/62/83/87/572628387.db2.gz RZQSUXHXBHRQSF-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)[N@H+]1CC[C@@H](C)N(C)C[C@@H]1CN 251747610 572628390 /nfs/dbraw/zinc/62/83/90/572628390.db2.gz RZQSUXHXBHRQSF-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1CC[C@@H](C)[N@H+](C)C[C@@H]1CN 251747610 572628393 /nfs/dbraw/zinc/62/83/93/572628393.db2.gz RZQSUXHXBHRQSF-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO CC(C)N1CC[C@@H](C)[N@@H+](C)C[C@@H]1CN 251747610 572628395 /nfs/dbraw/zinc/62/83/95/572628395.db2.gz RZQSUXHXBHRQSF-MNOVXSKESA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H]1C[N@@H+](C(C)(C)C)[C@@H](CN)CN1C 251743900 572628441 /nfs/dbraw/zinc/62/84/41/572628441.db2.gz RQNMRJRNRFIFCZ-ZJUUUORDSA-N 1 3 199.342 0.748 10 0 ACAEHO C[C@@H]1C[N@H+](C(C)(C)C)[C@@H](CN)CN1C 251743900 572628444 /nfs/dbraw/zinc/62/84/44/572628444.db2.gz RQNMRJRNRFIFCZ-ZJUUUORDSA-N 1 3 199.342 0.748 10 0 ACAEHO CCN1CC(C)(C)N(C)C[C@H]1CC[NH3+] 250368370 572678217 /nfs/dbraw/zinc/67/82/17/572678217.db2.gz VFOBEPZMALWZIZ-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](C[C@@H]1CCCC[NH2+]1)NCCO 86498803 572946327 /nfs/dbraw/zinc/94/63/27/572946327.db2.gz JVOHKKFFLZDDSQ-UWVGGRQHSA-N 1 3 186.299 0.489 10 0 ACAEHO C[C@@H](C[C@H]1CCCC[NH2+]1)NCCO 86498805 572946431 /nfs/dbraw/zinc/94/64/31/572946431.db2.gz JVOHKKFFLZDDSQ-VHSXEESVSA-N 1 3 186.299 0.489 10 0 ACAEHO CO[C@@]1(C)CCN([C@H](C[NH3+])C2CC2)C1 308474916 573011499 /nfs/dbraw/zinc/01/14/99/573011499.db2.gz JBRYZQBLTDGURD-MNOVXSKESA-N 1 3 198.310 0.835 10 0 ACAEHO CCC[C@H](C[NH3+])N1CCC[C@H]1CO 308222043 573011554 /nfs/dbraw/zinc/01/15/54/573011554.db2.gz ORRYHCSACJTFCP-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO CO[C@H]1C[C@H](N[C@@H](C)C2C[NH2+]C2)C1 686252578 573059900 /nfs/dbraw/zinc/05/99/00/573059900.db2.gz ZORPRXZFGICIKK-HGNGGELXSA-N 1 3 184.283 0.361 10 0 ACAEHO CO[C@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)C1 686252578 573059905 /nfs/dbraw/zinc/05/99/05/573059905.db2.gz ZORPRXZFGICIKK-HGNGGELXSA-N 1 3 184.283 0.361 10 0 ACAEHO CNC[C@@H]1C[NH2+]C[C@H]1C 82560542 573100674 /nfs/dbraw/zinc/10/06/74/573100674.db2.gz WVPCDSLZKFKUSR-RNFRBKRXSA-N 1 3 128.219 0.061 10 0 ACAEHO C[C@H]([NH3+])CNc1nccn1C 82575385 573106109 /nfs/dbraw/zinc/10/61/09/573106109.db2.gz MDFHZSDERLYBLI-LURJTMIESA-N 1 3 154.217 0.179 10 0 ACAEHO CNC[C@H](F)[C@H]1CC[NH2+]C1 258479383 573111324 /nfs/dbraw/zinc/11/13/24/573111324.db2.gz JBWHJUODEIEZBX-BQBZGAKWSA-N 1 3 146.209 0.153 10 0 ACAEHO C1C[C@@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)CO1 88288308 573113859 /nfs/dbraw/zinc/11/38/59/573113859.db2.gz NCYWCYRQEUFRTA-HBNTYKKESA-N 1 3 196.294 0.174 10 0 ACAEHO C[C@H]([NH3+])CCN1CCN(C)C[C@@H]1C 235483990 573139442 /nfs/dbraw/zinc/13/94/42/573139442.db2.gz MYWXCAGVNSWVKW-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO C1C[NH2+]CC[C@H](NC2CC2)C1 82666753 573151194 /nfs/dbraw/zinc/15/11/94/573151194.db2.gz XVWYVWGRWVMZSX-MRVPVSSYSA-N 1 3 154.257 0.881 10 0 ACAEHO C1CNCC[C@H]([NH2+]C2CC2)C1 82666753 573151198 /nfs/dbraw/zinc/15/11/98/573151198.db2.gz XVWYVWGRWVMZSX-MRVPVSSYSA-N 1 3 154.257 0.881 10 0 ACAEHO OC[C@@H]1C[NH2+]CC[C@@H]1N1CCCCC1 215078476 573151258 /nfs/dbraw/zinc/15/12/58/573151258.db2.gz CGKJBOQQNXZHKX-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H]1C[NH2+][C@@H](C2CCN(C)CC2)O1 258565030 573168138 /nfs/dbraw/zinc/16/81/38/573168138.db2.gz PCNSTYWKMUARQD-WCBMZHEXSA-N 1 3 184.283 0.663 10 0 ACAEHO COCC1(NC[C@@H](C)C[NH3+])CCC1 393555632 573183602 /nfs/dbraw/zinc/18/36/02/573183602.db2.gz LKQWPVJFIKEETJ-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO COCC1([NH2+]C[C@@H](C)CN)CCC1 393555632 573183607 /nfs/dbraw/zinc/18/36/07/573183607.db2.gz LKQWPVJFIKEETJ-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO CC(C)([NH3+])CCN1CCCOCC1 82773382 573183711 /nfs/dbraw/zinc/18/37/11/573183711.db2.gz VJFFLKBOBLEATH-UHFFFAOYSA-N 1 3 186.299 0.836 10 0 ACAEHO [NH3+][C@@H]1CCO[C@H]1CN[C@@H]1CC12CC2 715584608 573183720 /nfs/dbraw/zinc/18/37/20/573183720.db2.gz NQIWZDQDJXKLQW-HRDYMLBCSA-N 1 3 182.267 0.245 10 0 ACAEHO N[C@@H]1CCO[C@H]1C[NH2+][C@@H]1CC12CC2 715584608 573183727 /nfs/dbraw/zinc/18/37/27/573183727.db2.gz NQIWZDQDJXKLQW-HRDYMLBCSA-N 1 3 182.267 0.245 10 0 ACAEHO COC[C@@]1([C@@H]2CCCNC2)CCC[NH2+]1 257961448 573183978 /nfs/dbraw/zinc/18/39/78/573183978.db2.gz GVBQTLVNOXBEGP-GHMZBOCLSA-N 1 3 198.310 0.755 10 0 ACAEHO [NH3+][C@@H]1CCO[C@@H]1CN[C@@H]1CC12CC2 715584612 573184303 /nfs/dbraw/zinc/18/43/03/573184303.db2.gz NQIWZDQDJXKLQW-IWSPIJDZSA-N 1 3 182.267 0.245 10 0 ACAEHO N[C@@H]1CCO[C@@H]1C[NH2+][C@@H]1CC12CC2 715584612 573184309 /nfs/dbraw/zinc/18/43/09/573184309.db2.gz NQIWZDQDJXKLQW-IWSPIJDZSA-N 1 3 182.267 0.245 10 0 ACAEHO CC(C)[N@@H+]1CC=C(CN)C1 257960494 573184338 /nfs/dbraw/zinc/18/43/38/573184338.db2.gz FRVSAEBTKYLZKM-UHFFFAOYSA-N 1 3 140.230 0.596 10 0 ACAEHO CC(C)[N@H+]1CC=C(CN)C1 257960494 573184342 /nfs/dbraw/zinc/18/43/42/573184342.db2.gz FRVSAEBTKYLZKM-UHFFFAOYSA-N 1 3 140.230 0.596 10 0 ACAEHO CC(C)N1CC=C(C[NH3+])C1 257960494 573184349 /nfs/dbraw/zinc/18/43/49/573184349.db2.gz FRVSAEBTKYLZKM-UHFFFAOYSA-N 1 3 140.230 0.596 10 0 ACAEHO CO[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CC12CC2 715602411 573184389 /nfs/dbraw/zinc/18/43/89/573184389.db2.gz GMRDNWORTOMDQN-IVZWLZJFSA-N 1 3 196.294 0.363 10 0 ACAEHO C[NH2+]Cc1csc(CN)c1 258581589 573199591 /nfs/dbraw/zinc/19/95/91/573199591.db2.gz SJWSEKAJMYYRIU-UHFFFAOYSA-N 1 3 156.254 0.926 10 0 ACAEHO CN1CCN(C)[C@@H]([C@@H]2CCC[NH2+]C2)C1 238310001 573199613 /nfs/dbraw/zinc/19/96/13/573199613.db2.gz IPYAAXSZLLDTRH-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO C[C@H]([N@@H+](C)C[C@H](C)CN)C(C)(C)O 382875512 573199956 /nfs/dbraw/zinc/19/99/56/573199956.db2.gz QHVSUHIBIFGIGV-BDAKNGLRSA-N 1 3 188.315 0.672 10 0 ACAEHO C[C@H]([N@H+](C)C[C@H](C)CN)C(C)(C)O 382875512 573199960 /nfs/dbraw/zinc/19/99/60/573199960.db2.gz QHVSUHIBIFGIGV-BDAKNGLRSA-N 1 3 188.315 0.672 10 0 ACAEHO CN(C)[C@@H](C1CCC1)[C@H](O)C[NH3+] 259366971 573200380 /nfs/dbraw/zinc/20/03/80/573200380.db2.gz GDCGJYICTFWEJV-BDAKNGLRSA-N 1 3 172.272 0.036 10 0 ACAEHO C1C[NH2+]C2CCN(C1)CC2 104698288 573200474 /nfs/dbraw/zinc/20/04/74/573200474.db2.gz BGROAZHAWDEUDB-UHFFFAOYSA-N 1 3 140.230 0.444 10 0 ACAEHO C1CNC2CC[NH+](C1)CC2 104698288 573200480 /nfs/dbraw/zinc/20/04/80/573200480.db2.gz BGROAZHAWDEUDB-UHFFFAOYSA-N 1 3 140.230 0.444 10 0 ACAEHO CN(C)[C@H](C1CCC1)[C@H](O)C[NH3+] 259366982 573200620 /nfs/dbraw/zinc/20/06/20/573200620.db2.gz GDCGJYICTFWEJV-RKDXNWHRSA-N 1 3 172.272 0.036 10 0 ACAEHO NCc1cc([C@H]2CCC[NH2+]C2)n[nH]1 259369674 573202903 /nfs/dbraw/zinc/20/29/03/573202903.db2.gz VHCRQTJJQMFNLF-ZETCQYMHSA-N 1 3 180.255 0.335 10 0 ACAEHO C[NH2+][C@@H](C)C[C@@H](C)N(C)C 82801040 573203101 /nfs/dbraw/zinc/20/31/01/573203101.db2.gz WLWGTACLCJNFRC-JGVFFNPUSA-N 1 3 144.262 0.935 10 0 ACAEHO C[NH2+][C@H](C)C[C@H](C)N(C)C 82801043 573203159 /nfs/dbraw/zinc/20/31/59/573203159.db2.gz WLWGTACLCJNFRC-SFYZADRCSA-N 1 3 144.262 0.935 10 0 ACAEHO C[NH2+][C@@H](C)C[C@H](C)N(C)C 82801042 573203180 /nfs/dbraw/zinc/20/31/80/573203180.db2.gz WLWGTACLCJNFRC-YUMQZZPRSA-N 1 3 144.262 0.935 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N(C)C 82801035 573203190 /nfs/dbraw/zinc/20/31/90/573203190.db2.gz GTEYLCBPKVEEJL-NKWVEPMBSA-N 1 3 130.235 0.674 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CCCN(C)CC1 82801086 573203311 /nfs/dbraw/zinc/20/33/11/573203311.db2.gz VXVNVHLYVSRDMF-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]([NH3+])C[C@@H](C)N1CCCOCC1 82802278 573203384 /nfs/dbraw/zinc/20/33/84/573203384.db2.gz ZBBBGHQXUMNZCE-VHSXEESVSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@@H]([NH3+])C[C@@H](C)N1CCCOCC1 82802279 573205317 /nfs/dbraw/zinc/20/53/17/573205317.db2.gz ZBBBGHQXUMNZCE-NXEZZACHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]([NH3+])C[C@H](C)N(C)C 82801038 573205340 /nfs/dbraw/zinc/20/53/40/573205340.db2.gz GTEYLCBPKVEEJL-BQBZGAKWSA-N 1 3 130.235 0.674 10 0 ACAEHO [NH3+]C[C@H]1C[C@H]1CNCc1cnsc1 715133483 573205401 /nfs/dbraw/zinc/20/54/01/573205401.db2.gz QEGIDQRFGOGWOB-BDAKNGLRSA-N 1 3 197.307 0.828 10 0 ACAEHO C[C@@H](C[C@@H](C)[NH3+])N1CCCOCC1 82802747 573206024 /nfs/dbraw/zinc/20/60/24/573206024.db2.gz ZBBBGHQXUMNZCE-ZJUUUORDSA-N 1 3 186.299 0.835 10 0 ACAEHO [NH3+]C[C@@]1(F)CCN2CCC[C@H]21 258484270 573205646 /nfs/dbraw/zinc/20/56/46/573205646.db2.gz JMRJIKIQPUKGTC-YUMQZZPRSA-N 1 3 158.220 0.522 10 0 ACAEHO CN(C)[C@@H](C1CCC1)[C@@H](O)C[NH3+] 259366979 573205897 /nfs/dbraw/zinc/20/58/97/573205897.db2.gz GDCGJYICTFWEJV-IUCAKERBSA-N 1 3 172.272 0.036 10 0 ACAEHO CCN(CC)C1CN([C@H]2CC[NH2+]C2)C1 107188184 573205969 /nfs/dbraw/zinc/20/59/69/573205969.db2.gz VLVIYPGASYFERV-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO CC1CCC(C[NH3+])(C2(O)CNC2)CC1 85923957 573209112 /nfs/dbraw/zinc/20/91/12/573209112.db2.gz QUMNKCPTYZVZDF-UHFFFAOYSA-N 1 3 198.310 0.476 10 0 ACAEHO CN[C@]1(CN)CC[N@@H+]2CCCC[C@@H]21 123852056 573212696 /nfs/dbraw/zinc/21/26/96/573212696.db2.gz RTLRVOWQWSSBTK-ZJUUUORDSA-N 1 3 183.299 0.162 10 0 ACAEHO CN[C@]1(CN)CC[N@H+]2CCCC[C@@H]21 123852056 573212703 /nfs/dbraw/zinc/21/27/03/573212703.db2.gz RTLRVOWQWSSBTK-ZJUUUORDSA-N 1 3 183.299 0.162 10 0 ACAEHO C[NH2+][C@]1(CN)CCN2CCCC[C@@H]21 123852056 573212708 /nfs/dbraw/zinc/21/27/08/573212708.db2.gz RTLRVOWQWSSBTK-ZJUUUORDSA-N 1 3 183.299 0.162 10 0 ACAEHO CC[NH2+][C@]1(CN)CCN2CCCC[C@@H]21 123852567 573212819 /nfs/dbraw/zinc/21/28/19/573212819.db2.gz NMRMAJWZYZJQHL-MNOVXSKESA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@]1(CN)CC[N@@H+]2CCCC[C@@H]21 123852567 573212824 /nfs/dbraw/zinc/21/28/24/573212824.db2.gz NMRMAJWZYZJQHL-MNOVXSKESA-N 1 3 197.326 0.552 10 0 ACAEHO CCN[C@]1(CN)CC[N@H+]2CCCC[C@@H]21 123852567 573212829 /nfs/dbraw/zinc/21/28/29/573212829.db2.gz NMRMAJWZYZJQHL-MNOVXSKESA-N 1 3 197.326 0.552 10 0 ACAEHO CN(CC1(C[NH3+])COC1)C(C)(C)C 259038271 573225419 /nfs/dbraw/zinc/22/54/19/573225419.db2.gz RBYKQYODWKVRTD-UHFFFAOYSA-N 1 3 186.299 0.692 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@@H]2NCCCO2)C1 258239632 573225425 /nfs/dbraw/zinc/22/54/25/573225425.db2.gz ZOYWWLIXUQJLKB-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@@H]2NCCCO2)C1 258239632 573225430 /nfs/dbraw/zinc/22/54/30/573225430.db2.gz ZOYWWLIXUQJLKB-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO CN1CC[C@H]([NH3+])CC12CCC2 238309514 573224852 /nfs/dbraw/zinc/22/48/52/573224852.db2.gz XPNOVAPUSOXACM-QMMMGPOBSA-N 1 3 154.257 0.962 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@@H+]1C 82836427 573224883 /nfs/dbraw/zinc/22/48/83/573224883.db2.gz RJZDBUNYMBDNKY-RNFRBKRXSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H]1C[C@H](CN)C[N@H+]1C 82836427 573224886 /nfs/dbraw/zinc/22/48/86/573224886.db2.gz RJZDBUNYMBDNKY-RNFRBKRXSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@@H+]1C 82836434 573224981 /nfs/dbraw/zinc/22/49/81/573224981.db2.gz RJZDBUNYMBDNKY-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@H]1C[C@@H](CN)C[N@H+]1C 82836434 573224988 /nfs/dbraw/zinc/22/49/88/573224988.db2.gz RJZDBUNYMBDNKY-BQBZGAKWSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C 82836432 573225021 /nfs/dbraw/zinc/22/50/21/573225021.db2.gz RJZDBUNYMBDNKY-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@@H]1C[C@@H](CN)C[N@H+]1C 82836432 573225024 /nfs/dbraw/zinc/22/50/24/573225024.db2.gz RJZDBUNYMBDNKY-RQJHMYQMSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@@H+]1C 82836428 573225256 /nfs/dbraw/zinc/22/52/56/573225256.db2.gz RJZDBUNYMBDNKY-NKWVEPMBSA-N 1 3 128.219 0.285 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@H+]1C 82836428 573225264 /nfs/dbraw/zinc/22/52/64/573225264.db2.gz RJZDBUNYMBDNKY-NKWVEPMBSA-N 1 3 128.219 0.285 10 0 ACAEHO CNCC[NH+]1C[C@@H](C)[C@H](C)C1 86009588 573225674 /nfs/dbraw/zinc/22/56/74/573225674.db2.gz XPRZHZOJCOUYSY-RKDXNWHRSA-N 1 3 156.273 0.794 10 0 ACAEHO C[N@@H+]1CC[C@@H](C[C@H]2NCCCO2)C1 258239624 573225807 /nfs/dbraw/zinc/22/58/07/573225807.db2.gz ZOYWWLIXUQJLKB-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CC[C@@H](C[C@H]2NCCCO2)C1 258239624 573225813 /nfs/dbraw/zinc/22/58/13/573225813.db2.gz ZOYWWLIXUQJLKB-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO [NH3+]CC[C@H]1CC[C@H](N2CCOCC2)C1 107189026 573226144 /nfs/dbraw/zinc/22/61/44/573226144.db2.gz BXAJACHHWULPRM-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO CC[C@@H]1[C@H](CN)CC[N@@H+]1C 82839169 573226173 /nfs/dbraw/zinc/22/61/73/573226173.db2.gz UJEGEJMIXOMCBG-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@@H]1[C@H](CN)CC[N@H+]1C 82839169 573226178 /nfs/dbraw/zinc/22/61/78/573226178.db2.gz UJEGEJMIXOMCBG-JGVFFNPUSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@H]([C@H]1CC[NH2+]C1)N(C)C 259386196 573230059 /nfs/dbraw/zinc/23/00/59/573230059.db2.gz GUYKQZDULAQQKO-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[C@@H]([C@H]1CC[NH2+]C1)N(C)C 259386197 573230516 /nfs/dbraw/zinc/23/05/16/573230516.db2.gz GUYKQZDULAQQKO-IUCAKERBSA-N 1 3 156.273 0.936 10 0 ACAEHO CCC(CC)NC[C@H]1C[NH2+]C[C@@H]1O 308526090 573237111 /nfs/dbraw/zinc/23/71/11/573237111.db2.gz XNMHGFGHBAVVJA-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CCC(CC)[NH2+]C[C@H]1CNC[C@@H]1O 308526090 573237117 /nfs/dbraw/zinc/23/71/17/573237117.db2.gz XNMHGFGHBAVVJA-SCZZXKLOSA-N 1 3 186.299 0.345 10 0 ACAEHO CCCN(CCO)[C@](C)(CC)C[NH3+] 50091949 573237209 /nfs/dbraw/zinc/23/72/09/573237209.db2.gz YXDOBWHJOGHGMF-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO NC[C@H]1C[NH2+]C[C@H]1CCF 259387914 573237543 /nfs/dbraw/zinc/23/75/43/573237543.db2.gz REGUZPIBNFGCGM-RQJHMYQMSA-N 1 3 146.209 0.140 10 0 ACAEHO CN1CC[C@@H](N)[C@@H](C[NH+]2CCCC2)C1 238324055 573239333 /nfs/dbraw/zinc/23/93/33/573239333.db2.gz SLZCAWDHJYHNRP-GHMZBOCLSA-N 1 3 197.326 0.361 10 0 ACAEHO CN(C)CCN(C)C1(C[NH3+])CCCC1 50090284 573239537 /nfs/dbraw/zinc/23/95/37/573239537.db2.gz NAZZCOPVLDRPJE-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO c1c[nH]c(CC[NH2+]C2CCNCC2)c1 259042504 573239849 /nfs/dbraw/zinc/23/98/49/573239849.db2.gz PKJGSWZIULASTL-UHFFFAOYSA-N 1 3 193.294 0.899 10 0 ACAEHO c1c[nH]c(CCNC2CC[NH2+]CC2)c1 259042504 573239856 /nfs/dbraw/zinc/23/98/56/573239856.db2.gz PKJGSWZIULASTL-UHFFFAOYSA-N 1 3 193.294 0.899 10 0 ACAEHO NC[C@@H](C[NH+]1CCCC1)[C@H]1CCOC1 258247345 573247730 /nfs/dbraw/zinc/24/77/30/573247730.db2.gz SKWHUMARYVPHRN-QWRGUYRKSA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@H](CCCO)[N@@H+]1CC[C@@H](CN)C1 238420522 573247808 /nfs/dbraw/zinc/24/78/08/573247808.db2.gz XANUWULVHNTWTI-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCCO)[N@H+]1CC[C@@H](CN)C1 238420522 573247813 /nfs/dbraw/zinc/24/78/13/573247813.db2.gz XANUWULVHNTWTI-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC[NH2+][C@@H]1CCNC[C@@H]1CC 197781648 573251621 /nfs/dbraw/zinc/25/16/21/573251621.db2.gz LHBSQRRGMXEPTL-DTWKUNHWSA-N 1 3 156.273 0.984 10 0 ACAEHO C[C@H]([NH3+])C1(C2CCN(C)CC2)COC1 259048032 573251735 /nfs/dbraw/zinc/25/17/35/573251735.db2.gz AJRRZNBLEMNARG-VIFPVBQESA-N 1 3 198.310 0.692 10 0 ACAEHO COC(=O)C1C(=O)CC[N@H+]2CCC[C@H]12 222960910 573251918 /nfs/dbraw/zinc/25/19/18/573251918.db2.gz AZPZTZJILRXHBP-APPZFPTMSA-N 1 3 197.234 0.213 10 0 ACAEHO COC(=O)C1C(=O)CC[N@@H+]2CCC[C@H]12 222960910 573251922 /nfs/dbraw/zinc/25/19/22/573251922.db2.gz AZPZTZJILRXHBP-APPZFPTMSA-N 1 3 197.234 0.213 10 0 ACAEHO CN1CC[C@@H](C(=O)CC(C)(C)[NH3+])C1 259053258 573252144 /nfs/dbraw/zinc/25/21/44/573252144.db2.gz CCEGVIYMDGYLSG-MRVPVSSYSA-N 1 3 184.283 0.635 10 0 ACAEHO C[C@@H]1CC[N@H+](C[C@](C)(O)CN)C1 82905914 573271096 /nfs/dbraw/zinc/27/10/96/573271096.db2.gz OPOMYNGDZCUOQQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@@H]1CC[N@@H+](C[C@](C)(O)CN)C1 82905914 573271100 /nfs/dbraw/zinc/27/11/00/573271100.db2.gz OPOMYNGDZCUOQQ-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[C@@H](O)C[N@@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750468 573271124 /nfs/dbraw/zinc/27/11/24/573271124.db2.gz KXKUCKIEIRLGGM-HUAZRZQGSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1CC(N)C2 40750468 573271130 /nfs/dbraw/zinc/27/11/30/573271130.db2.gz KXKUCKIEIRLGGM-HUAZRZQGSA-N 1 3 198.310 0.711 10 0 ACAEHO CC[C@@H](O)CN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750468 573271136 /nfs/dbraw/zinc/27/11/36/573271136.db2.gz KXKUCKIEIRLGGM-HUAZRZQGSA-N 1 3 198.310 0.711 10 0 ACAEHO CN1CC(C)(CC[NH3+])C1 238329975 573271161 /nfs/dbraw/zinc/27/11/61/573271161.db2.gz GVTUTKQHFCOMDQ-UHFFFAOYSA-N 1 3 128.219 0.287 10 0 ACAEHO CN1CC[C@@]2(C[C@@H](CC[NH3+])CCO2)C1 238329613 573271276 /nfs/dbraw/zinc/27/12/76/573271276.db2.gz PCHRGCQULUXHKR-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO CN(C)C[C@H](C[NH3+])[C@@H]1CCOC1 258270111 573271559 /nfs/dbraw/zinc/27/15/59/573271559.db2.gz UMRKHCTVZHSUBU-BDAKNGLRSA-N 1 3 172.272 0.159 10 0 ACAEHO CN1CC[C@@H](c2ncc(CC[NH3+])o2)C1 257987399 573271782 /nfs/dbraw/zinc/27/17/82/573271782.db2.gz HUSUTICHOUFSKZ-MRVPVSSYSA-N 1 3 195.266 0.595 10 0 ACAEHO CN1CC[C@H](c2ncc(CC[NH3+])o2)C1 257987400 573272425 /nfs/dbraw/zinc/27/24/25/573272425.db2.gz HUSUTICHOUFSKZ-QMMMGPOBSA-N 1 3 195.266 0.595 10 0 ACAEHO C[C@H]([NH3+])CCNC[C@H]1CCCCO1 42825548 573271932 /nfs/dbraw/zinc/27/19/32/573271932.db2.gz XMIVNGNHFSCSSL-VHSXEESVSA-N 1 3 186.299 0.882 10 0 ACAEHO CN(C)CCN1[C@H]2CC[C@@H]1CC([NH3+])C2 40750362 573271990 /nfs/dbraw/zinc/27/19/90/573271990.db2.gz PFCAEHZILYQWCF-FGWVZKOKSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@@](O)(C[NH3+])CN1CCCCC1 82906650 573272158 /nfs/dbraw/zinc/27/21/58/573272158.db2.gz LXUNMUVUQIGINE-SECBINFHSA-N 1 3 172.272 0.182 10 0 ACAEHO [NH3+]C[C@]1(NCCO)CCC[C@H]2C[C@H]21 393579686 573274129 /nfs/dbraw/zinc/27/41/29/573274129.db2.gz FOFSJAWFCGQYPF-IVZWLZJFSA-N 1 3 184.283 0.086 10 0 ACAEHO C[NH2+]CCc1cnc(CCN(C)C)o1 258270967 573273519 /nfs/dbraw/zinc/27/35/19/573273519.db2.gz XVLZFJKVVDQWSP-UHFFFAOYSA-N 1 3 197.282 0.541 10 0 ACAEHO CC[C@H](CN1CCCN(C)CC1)[NH2+]C 50179132 573273546 /nfs/dbraw/zinc/27/35/46/573273546.db2.gz OQBSGCXNYCEBLC-LLVKDONJSA-N 1 3 199.342 0.622 10 0 ACAEHO C[C@@H](CO)C[NH2+]C[C@@H](C)CN(C)C 308338164 573273645 /nfs/dbraw/zinc/27/36/45/573273645.db2.gz PGNQBRPIGUEVID-NXEZZACHSA-N 1 3 188.315 0.402 10 0 ACAEHO C[C@H](CO)C[NH2+]C[C@@H](C)CN(C)C 308338167 573273796 /nfs/dbraw/zinc/27/37/96/573273796.db2.gz PGNQBRPIGUEVID-ZJUUUORDSA-N 1 3 188.315 0.402 10 0 ACAEHO [NH3+]C[C@@H]([C@@H]1CCCOC1)N1CCCC1 74237000 573273915 /nfs/dbraw/zinc/27/39/15/573273915.db2.gz WMCIIRCMYMKDJF-MNOVXSKESA-N 1 3 198.310 0.836 10 0 ACAEHO Cc1cc(=O)n2c(c1CC[NH3+])NCC2 105693815 573274451 /nfs/dbraw/zinc/27/44/51/573274451.db2.gz FCLWRIZEWCLVIL-UHFFFAOYSA-N 1 3 193.250 0.083 10 0 ACAEHO C[C@H]([NH3+])CCNC[C@@H]1CCCCO1 42825542 573274665 /nfs/dbraw/zinc/27/46/65/573274665.db2.gz XMIVNGNHFSCSSL-UWVGGRQHSA-N 1 3 186.299 0.882 10 0 ACAEHO C[C@@H]1CCC[N@@H+]1C[C@](C)(O)CN 82915136 573274770 /nfs/dbraw/zinc/27/47/70/573274770.db2.gz MDDXZHJHTXYHLG-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1CCC[N@H+]1C[C@](C)(O)CN 82915136 573274774 /nfs/dbraw/zinc/27/47/74/573274774.db2.gz MDDXZHJHTXYHLG-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO CC1CCN(C[C@](C)(O)C[NH3+])CC1 82915238 573274858 /nfs/dbraw/zinc/27/48/58/573274858.db2.gz KDTMKWCJIMHCHQ-SNVBAGLBSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@]1(CO)C[C@H]([C@@H]2CCCCN2)C[NH2+]1 258275966 573274893 /nfs/dbraw/zinc/27/48/93/573274893.db2.gz SFLQITOBJIODJL-GARJFASQSA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@H]1CCC[N@@H+]1C[C@](C)(O)CN 82915137 573276279 /nfs/dbraw/zinc/27/62/79/573276279.db2.gz MDDXZHJHTXYHLG-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@H]1CCC[N@H+]1C[C@](C)(O)CN 82915137 573276288 /nfs/dbraw/zinc/27/62/88/573276288.db2.gz MDDXZHJHTXYHLG-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[NH2+]Cc1ccn2c1[C@H](N)CC2 238330571 573276293 /nfs/dbraw/zinc/27/62/93/573276293.db2.gz MHELOANROFMAAM-MRVPVSSYSA-N 1 3 165.240 0.611 10 0 ACAEHO C[C@H]1CN([C@@H]2CCCCN2)CCC[NH2+]1 257991679 573276514 /nfs/dbraw/zinc/27/65/14/573276514.db2.gz FSEISYJBKAFJGZ-WDEREUQCSA-N 1 3 197.326 0.770 10 0 ACAEHO C[C@H]1CN([C@H]2CCCCN2)CCC[NH2+]1 257991677 573276547 /nfs/dbraw/zinc/27/65/47/573276547.db2.gz FSEISYJBKAFJGZ-QWRGUYRKSA-N 1 3 197.326 0.770 10 0 ACAEHO CN1CCC[C@@](C[NH3+])(N2CCCC2)C1 74238742 573276862 /nfs/dbraw/zinc/27/68/62/573276862.db2.gz WYYZKRGFGJZPRX-NSHDSACASA-N 1 3 197.326 0.505 10 0 ACAEHO C[C@@H](C[NH3+])CC(=O)[C@@H]1CCN(C)C1 259073416 573291601 /nfs/dbraw/zinc/29/16/01/573291601.db2.gz DSIUGIJMALFLQH-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H](NCC1(O)CCCC1)C1C[NH2+]C1 686252865 573291612 /nfs/dbraw/zinc/29/16/12/573291612.db2.gz UALGUWXIGVZSCT-VIFPVBQESA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@H]([NH2+]CC1(O)CCCC1)C1CNC1 686252865 573291616 /nfs/dbraw/zinc/29/16/16/573291616.db2.gz UALGUWXIGVZSCT-VIFPVBQESA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@H](C[NH3+])CC(=O)[C@@H]1CCN(C)C1 259073414 573291660 /nfs/dbraw/zinc/29/16/60/573291660.db2.gz DSIUGIJMALFLQH-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@H](C[NH3+])CC(=O)[C@H]1CCN(C)C1 259073415 573291685 /nfs/dbraw/zinc/29/16/85/573291685.db2.gz DSIUGIJMALFLQH-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO CN1CC[C@H](C(=O)[C@H]2CC[NH2+]C2)C1 259071517 573291952 /nfs/dbraw/zinc/29/19/52/573291952.db2.gz DRQLJRVWDGVTPH-IUCAKERBSA-N 1 3 182.267 0.117 10 0 ACAEHO C[N@@H+]1CCC[C@H]1C[C@H](F)CN 258622617 573292011 /nfs/dbraw/zinc/29/20/11/573292011.db2.gz WXDZEIICEQOBOY-YUMQZZPRSA-N 1 3 160.236 0.768 10 0 ACAEHO C[N@H+]1CCC[C@H]1C[C@H](F)CN 258622617 573292015 /nfs/dbraw/zinc/29/20/15/573292015.db2.gz WXDZEIICEQOBOY-YUMQZZPRSA-N 1 3 160.236 0.768 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1C[C@H](F)CN 258622610 573294938 /nfs/dbraw/zinc/29/49/38/573294938.db2.gz WXDZEIICEQOBOY-JGVFFNPUSA-N 1 3 160.236 0.768 10 0 ACAEHO C[N@H+]1CCC[C@@H]1C[C@H](F)CN 258622610 573294944 /nfs/dbraw/zinc/29/49/44/573294944.db2.gz WXDZEIICEQOBOY-JGVFFNPUSA-N 1 3 160.236 0.768 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@@H]2CC[NH2+]C2)C1 259071518 573294754 /nfs/dbraw/zinc/29/47/54/573294754.db2.gz DRQLJRVWDGVTPH-RKDXNWHRSA-N 1 3 182.267 0.117 10 0 ACAEHO CN1CCC(C)(C)[C@H](C[NH3+])C1 259407512 573295734 /nfs/dbraw/zinc/29/57/34/573295734.db2.gz YJNCDZWZXILLNT-MRVPVSSYSA-N 1 3 156.273 0.923 10 0 ACAEHO C[N@@H+]1CCC(C)(C)[C@H](CN)C1 259407512 573295740 /nfs/dbraw/zinc/29/57/40/573295740.db2.gz YJNCDZWZXILLNT-MRVPVSSYSA-N 1 3 156.273 0.923 10 0 ACAEHO C[N@H+]1CCC(C)(C)[C@H](CN)C1 259407512 573295744 /nfs/dbraw/zinc/29/57/44/573295744.db2.gz YJNCDZWZXILLNT-MRVPVSSYSA-N 1 3 156.273 0.923 10 0 ACAEHO C[C@H](N)c1coc(C[C@H]2CC[NH2+]C2)n1 257996666 573295791 /nfs/dbraw/zinc/29/57/91/573295791.db2.gz IJIBHIHAPUMOLD-JGVFFNPUSA-N 1 3 195.266 0.846 10 0 ACAEHO C[NH2+]Cc1c[nH]c(CN)c1 258622516 573296031 /nfs/dbraw/zinc/29/60/31/573296031.db2.gz WWECBGBTISDRIE-UHFFFAOYSA-N 1 3 139.202 0.193 10 0 ACAEHO CN1CCC(C)(C)[C@@H](C[NH3+])C1 259407513 573298537 /nfs/dbraw/zinc/29/85/37/573298537.db2.gz YJNCDZWZXILLNT-QMMMGPOBSA-N 1 3 156.273 0.923 10 0 ACAEHO C[N@@H+]1CCC(C)(C)[C@@H](CN)C1 259407513 573298542 /nfs/dbraw/zinc/29/85/42/573298542.db2.gz YJNCDZWZXILLNT-QMMMGPOBSA-N 1 3 156.273 0.923 10 0 ACAEHO C[N@H+]1CCC(C)(C)[C@@H](CN)C1 259407513 573298547 /nfs/dbraw/zinc/29/85/47/573298547.db2.gz YJNCDZWZXILLNT-QMMMGPOBSA-N 1 3 156.273 0.923 10 0 ACAEHO CN1CC[C@@]([NH3+])(CN2CCCC2)C1 221332768 573298663 /nfs/dbraw/zinc/29/86/63/573298663.db2.gz LNDYGKKGMOSFCV-JTQLQIEISA-N 1 3 183.299 0.115 10 0 ACAEHO CNCc1cnc([C@H]2CC[NH2+]C2)o1 257998986 573298722 /nfs/dbraw/zinc/29/87/22/573298722.db2.gz INESRHHUICZJKP-ZETCQYMHSA-N 1 3 181.239 0.471 10 0 ACAEHO CC[C@@](C)(C[NH3+])N1CCC[C@@H]1CO 74279852 573298831 /nfs/dbraw/zinc/29/88/31/573298831.db2.gz QDMGOIXFDOXMJA-ZJUUUORDSA-N 1 3 186.299 0.571 10 0 ACAEHO C[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)N2C 116558314 573298915 /nfs/dbraw/zinc/29/89/15/573298915.db2.gz WOPJGCHLBFCBLZ-AYMMMOKOSA-N 1 3 154.257 0.831 10 0 ACAEHO CC(C)[C@@H](C[NH3+])N1CCC[C@@H]1CO 74279838 573299086 /nfs/dbraw/zinc/29/90/86/573299086.db2.gz XSEXDSUDNWCZLH-NXEZZACHSA-N 1 3 186.299 0.426 10 0 ACAEHO CNCc1cnc([C@@H]2CC[NH2+]C2)o1 257998983 573299255 /nfs/dbraw/zinc/29/92/55/573299255.db2.gz INESRHHUICZJKP-SSDOTTSWSA-N 1 3 181.239 0.471 10 0 ACAEHO CN(C)CCc1cnc(CC[NH3+])o1 74299249 573303239 /nfs/dbraw/zinc/30/32/39/573303239.db2.gz POMYWPPFFMOGFM-UHFFFAOYSA-N 1 3 183.255 0.280 10 0 ACAEHO CC(C)C[NH2+]CC[C@H]1CN(C)CCN1 258626466 573313236 /nfs/dbraw/zinc/31/32/36/573313236.db2.gz KENNUTCXEIQYGE-NSHDSACASA-N 1 3 199.342 0.526 10 0 ACAEHO CCN1CC[C@H](C[NH2+]C)[C@@H]1C 259415650 573313592 /nfs/dbraw/zinc/31/35/92/573313592.db2.gz YWROUFXVQKTZGI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC[N@@H+]1CC[C@H](CNC)[C@@H]1C 259415650 573313597 /nfs/dbraw/zinc/31/35/97/573313597.db2.gz YWROUFXVQKTZGI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)CC[N@@H+]1CCNC[C@H]1CN 132531195 573313602 /nfs/dbraw/zinc/31/36/02/573313602.db2.gz HKIJETSLKJVHMN-SNVBAGLBSA-N 1 3 185.315 0.265 10 0 ACAEHO CC[N@H+]1CC[C@H](CNC)[C@@H]1C 259415650 573313606 /nfs/dbraw/zinc/31/36/06/573313606.db2.gz YWROUFXVQKTZGI-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CC(C)CC[N@H+]1CCNC[C@H]1CN 132531195 573313608 /nfs/dbraw/zinc/31/36/08/573313608.db2.gz HKIJETSLKJVHMN-SNVBAGLBSA-N 1 3 185.315 0.265 10 0 ACAEHO CNC(C)(C)[C@H]([NH3+])C(C)C 259413644 573313719 /nfs/dbraw/zinc/31/37/19/573313719.db2.gz OPVDZRBVJMTZKN-SSDOTTSWSA-N 1 3 144.262 0.968 10 0 ACAEHO C[C@@H]1CC[C@H]1[NH2+]CC[C@H]1CNCCO1 308546757 573313755 /nfs/dbraw/zinc/31/37/55/573313755.db2.gz PVGJTMODNNGWJJ-OUAUKWLOSA-N 1 3 198.310 0.753 10 0 ACAEHO CCN1CCn2c(C)nc(C[NH3+])c2C1 258490873 573313802 /nfs/dbraw/zinc/31/38/02/573313802.db2.gz CHKUNXXJNNBUJW-UHFFFAOYSA-N 1 3 194.282 0.486 10 0 ACAEHO C[C@@H]1CC[C@@H]1[NH2+]CC[C@H]1CNCCO1 308546758 573313823 /nfs/dbraw/zinc/31/38/23/573313823.db2.gz PVGJTMODNNGWJJ-VWYCJHECSA-N 1 3 198.310 0.753 10 0 ACAEHO C[NH2+]CC1=CCCNC1 258000799 573314550 /nfs/dbraw/zinc/31/45/50/573314550.db2.gz QETGWIQNMIQQFM-UHFFFAOYSA-N 1 3 126.203 0.126 10 0 ACAEHO CN1CC[C@@H](C(=O)CCC[NH3+])C1 259081905 573314702 /nfs/dbraw/zinc/31/47/02/573314702.db2.gz FMEXYQCAYBYBRV-MRVPVSSYSA-N 1 3 170.256 0.246 10 0 ACAEHO C[C@@H]1CC[C@H]1[NH2+]CC[C@@H]1CNCCO1 308546755 573314956 /nfs/dbraw/zinc/31/49/56/573314956.db2.gz PVGJTMODNNGWJJ-GMTAPVOTSA-N 1 3 198.310 0.753 10 0 ACAEHO CO[C@H](C)CN[C@]1(C[NH3+])CC[C@H]2C[C@H]21 308545962 573315127 /nfs/dbraw/zinc/31/51/27/573315127.db2.gz NVGPJYZZYJBCPB-YTWAJWBKSA-N 1 3 198.310 0.738 10 0 ACAEHO CN(C)CC1(NC2C[NH2+]C2)CCC1 393515057 573315105 /nfs/dbraw/zinc/31/51/05/573315105.db2.gz CZKHFZWIDWDOHJ-UHFFFAOYSA-N 1 3 183.299 0.032 10 0 ACAEHO CN[C@@H]1C=C(C)C[C@@H]2C[NH2+]C[C@@H]21 238341812 573324259 /nfs/dbraw/zinc/32/42/59/573324259.db2.gz PPNDPGDWMJJOSY-KXUCPTDWSA-N 1 3 166.268 0.760 10 0 ACAEHO Cn1c(C[NH2+]C2CCC2)cnc1N 258004396 573324869 /nfs/dbraw/zinc/32/48/69/573324869.db2.gz CHEIEQBFFSLPAU-UHFFFAOYSA-N 1 3 180.255 0.644 10 0 ACAEHO Cn1c(CNC2CCC2)c[nH+]c1N 258004396 573324874 /nfs/dbraw/zinc/32/48/74/573324874.db2.gz CHEIEQBFFSLPAU-UHFFFAOYSA-N 1 3 180.255 0.644 10 0 ACAEHO CC(C)(O)CC[N@@H+]1CCC[C@H](N)C1 86236969 573324634 /nfs/dbraw/zinc/32/46/34/573324634.db2.gz FVAZYUSKVRORKX-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CC(C)(O)CC[N@H+]1CCC[C@H](N)C1 86236969 573324638 /nfs/dbraw/zinc/32/46/38/573324638.db2.gz FVAZYUSKVRORKX-VIFPVBQESA-N 1 3 186.299 0.571 10 0 ACAEHO CN1CC[C@@H]([C@H]([NH3+])C(C)(C)O)C1 259418035 573324801 /nfs/dbraw/zinc/32/48/01/573324801.db2.gz MPPPMKCOWYKCLV-SFYZADRCSA-N 1 3 172.272 0.036 10 0 ACAEHO CN1CC[C@H]([C@@H]([NH3+])C(C)(C)O)C1 259418034 573324974 /nfs/dbraw/zinc/32/49/74/573324974.db2.gz MPPPMKCOWYKCLV-JGVFFNPUSA-N 1 3 172.272 0.036 10 0 ACAEHO CC(C)(C)NC[C@](C)(O)[C@H]1C=CC[NH2+]1 308552941 573324985 /nfs/dbraw/zinc/32/49/85/573324985.db2.gz QYZNNKPNFBDWQI-KOLCDFICSA-N 1 3 198.310 0.654 10 0 ACAEHO CC(C)(C)[NH2+]C[C@](C)(O)[C@H]1C=CCN1 308552941 573324990 /nfs/dbraw/zinc/32/49/90/573324990.db2.gz QYZNNKPNFBDWQI-KOLCDFICSA-N 1 3 198.310 0.654 10 0 ACAEHO CC(C)(O)CC[N@@H+]1CCCNCC1 86233648 573325210 /nfs/dbraw/zinc/32/52/10/573325210.db2.gz FJYUQCDXCGAVIM-UHFFFAOYSA-N 1 3 186.299 0.443 10 0 ACAEHO CC(C)(O)CC[N@H+]1CCCNCC1 86233648 573325215 /nfs/dbraw/zinc/32/52/15/573325215.db2.gz FJYUQCDXCGAVIM-UHFFFAOYSA-N 1 3 186.299 0.443 10 0 ACAEHO CC(C)(C)NC[C@@](C)(O)[C@H]1C=CC[NH2+]1 308552942 573325217 /nfs/dbraw/zinc/32/52/17/573325217.db2.gz QYZNNKPNFBDWQI-MWLCHTKSSA-N 1 3 198.310 0.654 10 0 ACAEHO CC(C)(C)[NH2+]C[C@@](C)(O)[C@H]1C=CCN1 308552942 573325226 /nfs/dbraw/zinc/32/52/26/573325226.db2.gz QYZNNKPNFBDWQI-MWLCHTKSSA-N 1 3 198.310 0.654 10 0 ACAEHO CN(C)C[C@@H](O)CNC1=[NH+]CCCC1 717355806 573325264 /nfs/dbraw/zinc/32/52/64/573325264.db2.gz WOJNIIMLDGGUBG-VIFPVBQESA-N 1 3 199.298 0.081 10 0 ACAEHO NCc1cc([C@H]2CCCC[NH2+]2)[nH]n1 259419108 573325631 /nfs/dbraw/zinc/32/56/31/573325631.db2.gz YFFRUYRSUGRXSL-MRVPVSSYSA-N 1 3 180.255 0.683 10 0 ACAEHO NCc1cc(C2CC[NH2+]CC2)n[nH]1 259419138 573326381 /nfs/dbraw/zinc/32/63/81/573326381.db2.gz YFMJTOLKJMPTNM-UHFFFAOYSA-N 1 3 180.255 0.335 10 0 ACAEHO C[C@H]1[C@@H](C[NH3+])C2CCN1CC2 259418264 573326327 /nfs/dbraw/zinc/32/63/27/573326327.db2.gz SRONFQHJEASGQL-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H]1[C@@H](CN)C2CC[NH+]1CC2 259418264 573326332 /nfs/dbraw/zinc/32/63/32/573326332.db2.gz SRONFQHJEASGQL-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO CO[C@@H]1C[NH2+][C@H](CN[C@H]2CC[C@@H]2C)C1 308549723 573326937 /nfs/dbraw/zinc/32/69/37/573326937.db2.gz RGJXXXFKZWFARS-NAKRPEOUSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@@H]1CN([C@H]2CC[NH2+]C2)CCCN1C 258002934 573327052 /nfs/dbraw/zinc/32/70/52/573327052.db2.gz GGPPHZDUFMFOEG-MNOVXSKESA-N 1 3 197.326 0.374 10 0 ACAEHO NCc1cc([C@@H]2CCCC[NH2+]2)[nH]n1 259419111 573329027 /nfs/dbraw/zinc/32/90/27/573329027.db2.gz YFFRUYRSUGRXSL-QMMMGPOBSA-N 1 3 180.255 0.683 10 0 ACAEHO CO[C@H]1C[C@H](NCC[NH3+])C12CCC2 308348751 573329128 /nfs/dbraw/zinc/32/91/28/573329128.db2.gz RREXTXXAUBZWCB-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO CN[C@H](C1CC[NH+](C)CC1)N(C)C 259419096 573329438 /nfs/dbraw/zinc/32/94/38/573329438.db2.gz HZEPBEDJIFFFFL-JTQLQIEISA-N 1 3 185.315 0.435 10 0 ACAEHO CNCC[C@@H](C)[NH2+]CCCCCO 323136248 573329506 /nfs/dbraw/zinc/32/95/06/573329506.db2.gz HTTYROHVCHDHBI-SNVBAGLBSA-N 1 3 188.315 0.737 10 0 ACAEHO CN(C)CCN1CC[NH2+]CC(C)(C)C1 106877349 573329511 /nfs/dbraw/zinc/32/95/11/573329511.db2.gz SYSQMSYCCZNXHQ-UHFFFAOYSA-N 1 3 199.342 0.479 10 0 ACAEHO CN(C)C[C@H](O)CNC1=[NH+]CCCC1 717355805 573329554 /nfs/dbraw/zinc/32/95/54/573329554.db2.gz WOJNIIMLDGGUBG-SECBINFHSA-N 1 3 199.298 0.081 10 0 ACAEHO CC(C)CCNC[C@@H]1C[NH2+]C[C@@H]1O 308550043 573329593 /nfs/dbraw/zinc/32/95/93/573329593.db2.gz UZKOEGRFEXANTA-ZJUUUORDSA-N 1 3 186.299 0.202 10 0 ACAEHO CO[C@H]1C[C@@H](NCC[NH3+])C12CCC2 308348749 573329999 /nfs/dbraw/zinc/32/99/99/573329999.db2.gz RREXTXXAUBZWCB-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO CN[C@@H](C1CC[NH+](C)CC1)N(C)C 259419100 573330011 /nfs/dbraw/zinc/33/00/11/573330011.db2.gz HZEPBEDJIFFFFL-SNVBAGLBSA-N 1 3 185.315 0.435 10 0 ACAEHO CO[C@@H]1C[NH2+][C@H](CN[C@H]2CC[C@H]2C)C1 308549724 573331398 /nfs/dbraw/zinc/33/13/98/573331398.db2.gz RGJXXXFKZWFARS-RCWTZXSCSA-N 1 3 198.310 0.751 10 0 ACAEHO CO[C@@H]1C[C@H](NCC[NH3+])C12CCC2 308348750 573331577 /nfs/dbraw/zinc/33/15/77/573331577.db2.gz RREXTXXAUBZWCB-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO C[C@@H](CC[NH3+])C(=O)C1CCN(C)CC1 259085883 573334434 /nfs/dbraw/zinc/33/44/34/573334434.db2.gz FXQZUWFPOVUXIL-VIFPVBQESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H](C[NH3+])C(=O)C1CCN(C)CC1 259085904 573334540 /nfs/dbraw/zinc/33/45/40/573334540.db2.gz FYKQJOZTLDDQRT-QMMMGPOBSA-N 1 3 184.283 0.492 10 0 ACAEHO CC(C)[C@H]([NH3+])C[C@H]1CN(C)CCN1 259422045 573334588 /nfs/dbraw/zinc/33/45/88/573334588.db2.gz MUQGTNWGKCFYIH-VHSXEESVSA-N 1 3 185.315 0.263 10 0 ACAEHO CC(C)[C@H]([NH3+])C[C@@H]1CN(C)CCN1 259422040 573334843 /nfs/dbraw/zinc/33/48/43/573334843.db2.gz MUQGTNWGKCFYIH-NXEZZACHSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@@H]1CC[NH2+][C@H](C2CC2)CN1 82961045 573337684 /nfs/dbraw/zinc/33/76/84/573337684.db2.gz YYBJTNVMNPBUOA-APPZFPTMSA-N 1 3 154.257 0.736 10 0 ACAEHO C[C@@H]1CCN[C@H](C2CC2)C[NH2+]1 82961045 573337686 /nfs/dbraw/zinc/33/76/86/573337686.db2.gz YYBJTNVMNPBUOA-APPZFPTMSA-N 1 3 154.257 0.736 10 0 ACAEHO CCC[C@H]([NH3+])C[C@H]1CNCCO1 259421882 573337757 /nfs/dbraw/zinc/33/77/57/573337757.db2.gz MTNLQTRPHZRDOI-IUCAKERBSA-N 1 3 172.272 0.492 10 0 ACAEHO CC(C)[C@@H]1CN[C@@H](C)CC[NH2+]1 82960992 573337796 /nfs/dbraw/zinc/33/77/96/573337796.db2.gz ZZUUQFFKCAFBNX-IUCAKERBSA-N 1 3 156.273 0.982 10 0 ACAEHO CC(C)[C@@H]1C[NH2+][C@@H](C)CCN1 82960992 573337802 /nfs/dbraw/zinc/33/78/02/573337802.db2.gz ZZUUQFFKCAFBNX-IUCAKERBSA-N 1 3 156.273 0.982 10 0 ACAEHO CN(C)CCN1CC[C@H]([NH3+])CC1(C)C 259422248 573337819 /nfs/dbraw/zinc/33/78/19/573337819.db2.gz NMUXOQKFMWSFQV-JTQLQIEISA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H]1CN[C@H](C)CC[NH2+]1 82961005 573337839 /nfs/dbraw/zinc/33/78/39/573337839.db2.gz SNWRXYHBFWBLGR-RQJHMYQMSA-N 1 3 128.219 0.346 10 0 ACAEHO [NH3+][C@@H]1CCN2CCC[C@@H]2[C@H]1F 258633327 573337848 /nfs/dbraw/zinc/33/78/48/573337848.db2.gz YAXOQXSUMOPEMO-PRJMDXOYSA-N 1 3 158.220 0.520 10 0 ACAEHO [NH3+][C@@H]1CCN2CCC[C@H]2[C@@H]1F 258633323 573337874 /nfs/dbraw/zinc/33/78/74/573337874.db2.gz YAXOQXSUMOPEMO-GJMOJQLCSA-N 1 3 158.220 0.520 10 0 ACAEHO CC(C)[C@@H]([NH3+])C[C@H]1CN(C)CCN1 259422043 573337918 /nfs/dbraw/zinc/33/79/18/573337918.db2.gz MUQGTNWGKCFYIH-UWVGGRQHSA-N 1 3 185.315 0.263 10 0 ACAEHO C[C@@H]1CC[NH2+]C(C)(C)CN1 82961017 573337982 /nfs/dbraw/zinc/33/79/82/573337982.db2.gz IJHIIHGPZFAZLP-SSDOTTSWSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@@H](C[C@H](C)N)[NH2+]C 259421871 573338010 /nfs/dbraw/zinc/33/80/10/573338010.db2.gz MTMIVBYCUKUBFR-BQBZGAKWSA-N 1 3 130.235 0.722 10 0 ACAEHO NC[C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 50249322 573338094 /nfs/dbraw/zinc/33/80/94/573338094.db2.gz BHSYRWDDXKHZHC-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 50249322 573338100 /nfs/dbraw/zinc/33/81/00/573338100.db2.gz BHSYRWDDXKHZHC-MXWKQRLJSA-N 1 3 198.310 0.571 10 0 ACAEHO CNC[C@@H](F)C[C@@H]1CCC[NH2+]1 258631357 573338103 /nfs/dbraw/zinc/33/81/03/573338103.db2.gz XVRNKKAJCWHWAD-YUMQZZPRSA-N 1 3 160.236 0.686 10 0 ACAEHO CC[C@H]1CN[C@@H](C)CC[NH2+]1 82961036 573338126 /nfs/dbraw/zinc/33/81/26/573338126.db2.gz LFRKMGYONGUDGN-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@H]1C[NH2+][C@@H](C)CCN1 82961036 573338129 /nfs/dbraw/zinc/33/81/29/573338129.db2.gz LFRKMGYONGUDGN-YUMQZZPRSA-N 1 3 142.246 0.736 10 0 ACAEHO CC[C@@H](C)[C@@H]1C[NH2+]CCCN1 82960970 573338234 /nfs/dbraw/zinc/33/82/34/573338234.db2.gz QCBCDZRAVVOYON-BDAKNGLRSA-N 1 3 156.273 0.984 10 0 ACAEHO CC[C@]1(C)CNCCC[NH2+]1 82960988 573338300 /nfs/dbraw/zinc/33/83/00/573338300.db2.gz UTUHXJLGWNNBJL-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CC[C@]1(C)C[NH2+]CCCN1 82960988 573338303 /nfs/dbraw/zinc/33/83/03/573338303.db2.gz UTUHXJLGWNNBJL-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO CCC[C@@H]1C[NH2+]CCCN1 82960975 573338383 /nfs/dbraw/zinc/33/83/83/573338383.db2.gz TYSNWHLLKKFVLG-MRVPVSSYSA-N 1 3 142.246 0.738 10 0 ACAEHO C[C@H](C[NH3+])CN[C@H]1C[C@@H](O)C1(C)C 308352554 573342241 /nfs/dbraw/zinc/34/22/41/573342241.db2.gz ZCYIIZNCWFFFGZ-HRDYMLBCSA-N 1 3 186.299 0.330 10 0 ACAEHO C[C@H](CN)C[NH2+][C@H]1C[C@@H](O)C1(C)C 308352554 573342251 /nfs/dbraw/zinc/34/22/51/573342251.db2.gz ZCYIIZNCWFFFGZ-HRDYMLBCSA-N 1 3 186.299 0.330 10 0 ACAEHO C[C@@H](CN[C@@H]1CCOC1)C[NH+](C)C 308352612 573342368 /nfs/dbraw/zinc/34/23/68/573342368.db2.gz ZENWDOLMDUKMDR-VHSXEESVSA-N 1 3 186.299 0.563 10 0 ACAEHO CSCC[C@@H](C[NH3+])NC1CC1 50271343 573342732 /nfs/dbraw/zinc/34/27/32/573342732.db2.gz HLTMXTKLGFERGV-QMMMGPOBSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@@H]1C[NH2+][C@](C)([C@@H]2CCN(C)C2)O1 258491729 573347185 /nfs/dbraw/zinc/34/71/85/573347185.db2.gz LQAPXRXMDJXOLD-BBBLOLIVSA-N 1 3 184.283 0.663 10 0 ACAEHO CC[N@H+](CC(C)(C)O)[C@H](C)CCN 86273579 573347197 /nfs/dbraw/zinc/34/71/97/573347197.db2.gz OAFLNAGQYDZNMD-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO CC[N@@H+](CC(C)(C)O)[C@H](C)CCN 86273579 573347203 /nfs/dbraw/zinc/34/72/03/573347203.db2.gz OAFLNAGQYDZNMD-SECBINFHSA-N 1 3 188.315 0.817 10 0 ACAEHO C[NH2+]C[C@@H](C)NCC12CCN(CC1)C2 715778830 573347260 /nfs/dbraw/zinc/34/72/60/573347260.db2.gz JHJCOTLMURDXMU-SNVBAGLBSA-N 1 3 197.326 0.280 10 0 ACAEHO C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCN(C)C2)O1 258491751 573347482 /nfs/dbraw/zinc/34/74/82/573347482.db2.gz LQAPXRXMDJXOLD-OPRDCNLKSA-N 1 3 184.283 0.663 10 0 ACAEHO CC[C@@H](CN1CCC([NH3+])CC1)OC 308359842 573347552 /nfs/dbraw/zinc/34/75/52/573347552.db2.gz CWPOEAQMXKVCPL-JTQLQIEISA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1cnn(C)c1 308557880 573347613 /nfs/dbraw/zinc/34/76/13/573347613.db2.gz CELKRNUFMRCFIC-SECBINFHSA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1cnn(C)c1 308557880 573347618 /nfs/dbraw/zinc/34/76/18/573347618.db2.gz CELKRNUFMRCFIC-SECBINFHSA-N 1 3 196.298 0.147 10 0 ACAEHO CNC[C@@H]1CC[NH2+][C@H]1C 86272740 573348087 /nfs/dbraw/zinc/34/80/87/573348087.db2.gz YVQIHWAOGVKYOV-BQBZGAKWSA-N 1 3 128.219 0.204 10 0 ACAEHO CN(C)CC[C@H]([NH3+])CF 107115248 573348403 /nfs/dbraw/zinc/34/84/03/573348403.db2.gz KRBIIYKWBXONKR-LURJTMIESA-N 1 3 134.198 0.235 10 0 ACAEHO CC(C)NC[C@H]1CC[NH2+][C@H]1C 86272718 573348456 /nfs/dbraw/zinc/34/84/56/573348456.db2.gz GUUIVNMMYPIQPS-DTWKUNHWSA-N 1 3 156.273 0.982 10 0 ACAEHO C[C@@H]1C[C@@]1(C)[C@@H](CN)[NH2+]CCN(C)C 714681194 573357469 /nfs/dbraw/zinc/35/74/69/573357469.db2.gz UJRIUHVKEWXIGZ-GMTAPVOTSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@@H]1C[C@@]1(C)[C@@H](C[NH3+])NCCN(C)C 714681194 573357476 /nfs/dbraw/zinc/35/74/76/573357476.db2.gz UJRIUHVKEWXIGZ-GMTAPVOTSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@H](CC[NH3+])C(=O)[C@H]1CCN(C)C1 259089839 573357536 /nfs/dbraw/zinc/35/75/36/573357536.db2.gz GDJBUTWVZQQQFS-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO COCC[C@H](CN)C[NH+]1CCCC1 258300088 573357629 /nfs/dbraw/zinc/35/76/29/573357629.db2.gz WJYFPGJZXOFKCW-SNVBAGLBSA-N 1 3 186.299 0.694 10 0 ACAEHO CC[N@@H+]1CC[C@H]([C@H](O)CN(C)C)C1 258311487 573357777 /nfs/dbraw/zinc/35/77/77/573357777.db2.gz XCWIORCOHUGAMV-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@H+]1CC[C@H]([C@H](O)CN(C)C)C1 258311487 573357783 /nfs/dbraw/zinc/35/77/83/573357783.db2.gz XCWIORCOHUGAMV-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@H+](C)[C@@H](C)[C@@H](C)CN 86311510 573361666 /nfs/dbraw/zinc/36/16/66/573361666.db2.gz DMQYEUJYRHKGMT-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO CC[N@@H+](C)[C@@H](C)[C@@H](C)CN 86311510 573361670 /nfs/dbraw/zinc/36/16/70/573361670.db2.gz DMQYEUJYRHKGMT-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO CCN(C)[C@@H](C)[C@@H](C)C[NH3+] 86311510 573361675 /nfs/dbraw/zinc/36/16/75/573361675.db2.gz DMQYEUJYRHKGMT-YUMQZZPRSA-N 1 3 144.262 0.921 10 0 ACAEHO CCOC(=O)CC1(N)CC[NH2+]CC1 133004093 573361753 /nfs/dbraw/zinc/36/17/53/573361753.db2.gz AIHCFEMKNDBNDY-UHFFFAOYSA-N 1 3 186.255 0.021 10 0 ACAEHO NCC(C[NH3+])c1cccc(O)c1 258311442 573361875 /nfs/dbraw/zinc/36/18/75/573361875.db2.gz XCJXVYAQYJDGOU-UHFFFAOYSA-N 1 3 166.224 0.393 10 0 ACAEHO C[C@H](CN)C[NH2+]CCCc1ncc[nH]1 308562196 573361886 /nfs/dbraw/zinc/36/18/86/573361886.db2.gz FYRXEUQVQZOAAD-SECBINFHSA-N 1 3 196.298 0.527 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@H](O)CN(C)C)C1 258311483 573362080 /nfs/dbraw/zinc/36/20/80/573362080.db2.gz XCWIORCOHUGAMV-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@H](O)CN(C)C)C1 258311483 573362085 /nfs/dbraw/zinc/36/20/85/573362085.db2.gz XCWIORCOHUGAMV-NXEZZACHSA-N 1 3 186.299 0.251 10 0 ACAEHO C[NH2+]C[C@@H](C)[C@H](C)N(C)C 86311339 573362128 /nfs/dbraw/zinc/36/21/28/573362128.db2.gz DMYIPTPLMJMNQK-SFYZADRCSA-N 1 3 144.262 0.792 10 0 ACAEHO CSCC[C@@H]1[C@H](N)CC[N@@H+]1C 238361674 573362138 /nfs/dbraw/zinc/36/21/38/573362138.db2.gz ZEJSXXUGJFTEME-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO CSCC[C@@H]1[C@H](N)CC[N@H+]1C 238361674 573362142 /nfs/dbraw/zinc/36/21/42/573362142.db2.gz ZEJSXXUGJFTEME-HTQZYQBOSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@H](O)C[C@H](C)N[C@@H](C)C1C[NH2+]C1 686243000 573362221 /nfs/dbraw/zinc/36/22/21/573362221.db2.gz JDMQTUIEHRHZBB-CIUDSAMLSA-N 1 3 186.299 0.343 10 0 ACAEHO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)C1CNC1 686243000 573362225 /nfs/dbraw/zinc/36/22/25/573362225.db2.gz JDMQTUIEHRHZBB-CIUDSAMLSA-N 1 3 186.299 0.343 10 0 ACAEHO COc1cccc(C(=N)NC(N)=[NH2+])c1 238361321 573366316 /nfs/dbraw/zinc/36/63/16/573366316.db2.gz UZPHOVJQRMXIKH-UHFFFAOYSA-N 1 3 192.222 0.504 10 0 ACAEHO C[NH2+]C[C@@H](O)CN1C[C@H]2CCC[C@H]2C1 126130493 573366347 /nfs/dbraw/zinc/36/63/47/573366347.db2.gz BZSWSFHZPOJULW-OUAUKWLOSA-N 1 3 198.310 0.299 10 0 ACAEHO [NH3+][C@@H]1COC[C@H]1CNCCC(F)F 308369858 573366432 /nfs/dbraw/zinc/36/64/32/573366432.db2.gz KCRDUTCOOLOSAN-RNFRBKRXSA-N 1 3 194.225 0.205 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])C1CCOCC1 258316906 573366475 /nfs/dbraw/zinc/36/64/75/573366475.db2.gz XNZYBAGZJTYQKL-SNVBAGLBSA-N 1 3 186.299 0.550 10 0 ACAEHO CC[NH2+]C[C@@H](C)N(C)[C@H]1CCN(C)C1 308564371 573366508 /nfs/dbraw/zinc/36/65/08/573366508.db2.gz HCDMWHDPZMANOE-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO C[NH2+][C@@H](OC)[C@@H]1CCN(C)C1 259430490 573370095 /nfs/dbraw/zinc/37/00/95/573370095.db2.gz ZCOWDKLUZSIWJB-SFYZADRCSA-N 1 3 158.245 0.130 10 0 ACAEHO C1CC[C@H](N2CCC[NH2+]CC2)NC1 258334281 573370626 /nfs/dbraw/zinc/37/06/26/573370626.db2.gz YLCVXXNFKHEMLE-JTQLQIEISA-N 1 3 183.299 0.381 10 0 ACAEHO COCCNCC[C@H]([NH3+])C(C)(C)C 129615833 573370756 /nfs/dbraw/zinc/37/07/56/573370756.db2.gz PFPXNSQWEPNRGF-VIFPVBQESA-N 1 3 188.315 0.986 10 0 ACAEHO N[C@@H](C1CCCCC1)N1CC[NH2+]CC1 259610736 573371393 /nfs/dbraw/zinc/37/13/93/573371393.db2.gz XKTIXIUQAGSUCF-LLVKDONJSA-N 1 3 197.326 0.757 10 0 ACAEHO C[NH2+][C@@H](OC)[C@H]1CCN(C)C1 259430494 573371533 /nfs/dbraw/zinc/37/15/33/573371533.db2.gz ZCOWDKLUZSIWJB-YUMQZZPRSA-N 1 3 158.245 0.130 10 0 ACAEHO C[C@H](Cn1ccnc1)N[C@H](C)[C@@H](C)[NH3+] 308565358 573378767 /nfs/dbraw/zinc/37/87/67/573378767.db2.gz ZZMBESNOPXFZID-OPRDCNLKSA-N 1 3 196.298 0.597 10 0 ACAEHO OC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 107141687 573378788 /nfs/dbraw/zinc/37/87/88/573378788.db2.gz FODQBUKSHOECKH-GHMZBOCLSA-N 1 3 198.310 0.300 10 0 ACAEHO CN1CC2(C[C@@H]2CC[NH3+])C1 107156667 573378811 /nfs/dbraw/zinc/37/88/11/573378811.db2.gz TUGCMZBLDXEODG-ZETCQYMHSA-N 1 3 140.230 0.287 10 0 ACAEHO CCNC(=[NH2+])N1C[C@H](C)[C@H](N(C)C)C1 124232363 573378817 /nfs/dbraw/zinc/37/88/17/573378817.db2.gz YNHBVFFTMUZSAT-DTWKUNHWSA-N 1 3 198.314 0.413 10 0 ACAEHO CN1CC2(C[C@H]2CC[NH3+])C1 107156670 573378879 /nfs/dbraw/zinc/37/88/79/573378879.db2.gz TUGCMZBLDXEODG-SSDOTTSWSA-N 1 3 140.230 0.287 10 0 ACAEHO CO[C@]1(C2CCN(C)CC2)CC[NH2+]C1 107141860 573379082 /nfs/dbraw/zinc/37/90/82/573379082.db2.gz KBZNBWMCVBZPFV-LLVKDONJSA-N 1 3 198.310 0.707 10 0 ACAEHO CN1CCC([C@]2(C[NH3+])CCOC2)CC1 107141653 573379266 /nfs/dbraw/zinc/37/92/66/573379266.db2.gz PIVWMFHTKFWJCO-NSHDSACASA-N 1 3 198.310 0.694 10 0 ACAEHO CC(C)(N)[C@H]([NH3+])c1cc[nH]c1 259092363 573379653 /nfs/dbraw/zinc/37/96/53/573379653.db2.gz AMEBGWHBGQQHPY-SSDOTTSWSA-N 1 3 153.229 0.752 10 0 ACAEHO CC(C)(N)[C@@H]([NH3+])c1cc[nH]c1 259092367 573379719 /nfs/dbraw/zinc/37/97/19/573379719.db2.gz AMEBGWHBGQQHPY-ZETCQYMHSA-N 1 3 153.229 0.752 10 0 ACAEHO CC[C@@H](C[NH2+]CC1(CN)CC1)OC 308376991 573379808 /nfs/dbraw/zinc/37/98/08/573379808.db2.gz OKEIECWAZUSGQK-VIFPVBQESA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)N[C@H](C)Cn1ccnc1 308565357 573379822 /nfs/dbraw/zinc/37/98/22/573379822.db2.gz ZZMBESNOPXFZID-KXUCPTDWSA-N 1 3 196.298 0.597 10 0 ACAEHO OC[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 107141679 573379927 /nfs/dbraw/zinc/37/99/27/573379927.db2.gz QOTGGYSLIPXNMJ-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO C[C@H]1[NH2+]CC[C@@]1(O)C1CCN(C)CC1 107141815 573380050 /nfs/dbraw/zinc/38/00/50/573380050.db2.gz JANRMTIWJRVYHT-KOLCDFICSA-N 1 3 198.310 0.441 10 0 ACAEHO CN1CC[C@H]([NH3+])[C@@]1(C)C1CC1 107158241 573383875 /nfs/dbraw/zinc/38/38/75/573383875.db2.gz PDFCEXAWTWWPQH-DTWKUNHWSA-N 1 3 154.257 0.818 10 0 ACAEHO CNC(=[NH2+])N1C[C@H](C)[C@@H](N(C)C)C1 124235672 573384194 /nfs/dbraw/zinc/38/41/94/573384194.db2.gz DFKCGMVDJUSTAO-YUMQZZPRSA-N 1 3 184.287 0.022 10 0 ACAEHO C1C[C@]2(CCN(C3CC3)C2)C[NH2+]1 118052675 573384246 /nfs/dbraw/zinc/38/42/46/573384246.db2.gz JJJAUSXRQUEOLA-JTQLQIEISA-N 1 3 166.268 0.834 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C[C@@H]2NCCO2)C1 258019832 573386506 /nfs/dbraw/zinc/38/65/06/573386506.db2.gz BXDDDUGKHSNBIA-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CCC[C@@H](C[C@@H]2NCCO2)C1 258019832 573386513 /nfs/dbraw/zinc/38/65/13/573386513.db2.gz BXDDDUGKHSNBIA-VHSXEESVSA-N 1 3 184.283 0.664 10 0 ACAEHO CNC(=[NH2+])N1C[C@@H](C)[C@@H](N(C)C)C1 124235451 573385776 /nfs/dbraw/zinc/38/57/76/573385776.db2.gz DFKCGMVDJUSTAO-SFYZADRCSA-N 1 3 184.287 0.022 10 0 ACAEHO C[C@H]([NH2+]C[C@@]1(C)CCOC1)C1CNC1 686253592 573389020 /nfs/dbraw/zinc/38/90/20/573389020.db2.gz LMKQZAVPVZKUHF-GXSJLCMTSA-N 1 3 198.310 0.611 10 0 ACAEHO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)C1CNC1 686253596 573388405 /nfs/dbraw/zinc/38/84/05/573388405.db2.gz LMKQZAVPVZKUHF-MWLCHTKSSA-N 1 3 198.310 0.611 10 0 ACAEHO C[NH2+]CC1([C@H](N)C(C)C)CC1 259435095 573388721 /nfs/dbraw/zinc/38/87/21/573388721.db2.gz NHQKGWDDHLGMCA-MRVPVSSYSA-N 1 3 156.273 0.969 10 0 ACAEHO CNCC1([C@H]([NH3+])C(C)C)CC1 259435095 573388728 /nfs/dbraw/zinc/38/87/28/573388728.db2.gz NHQKGWDDHLGMCA-MRVPVSSYSA-N 1 3 156.273 0.969 10 0 ACAEHO CCCN[C@]1(C[NH3+])CCO[C@@H]1C 133250218 573388904 /nfs/dbraw/zinc/38/89/04/573388904.db2.gz AEAXKNUBVRBUEI-BDAKNGLRSA-N 1 3 172.272 0.492 10 0 ACAEHO C[NH2+]CCCN[C@@H]1CCC[C@H]1OC 50375700 573396702 /nfs/dbraw/zinc/39/67/02/573396702.db2.gz JSZMKIAOFTUGPJ-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO CNCCC[NH2+][C@@H]1CCC[C@H]1OC 50375700 573396705 /nfs/dbraw/zinc/39/67/05/573396705.db2.gz JSZMKIAOFTUGPJ-NXEZZACHSA-N 1 3 186.299 0.753 10 0 ACAEHO CC(C)(C)N[C@@]1(CN)CCC[NH2+]C1 257810018 573396886 /nfs/dbraw/zinc/39/68/86/573396886.db2.gz ADXLNQQIZMEXCK-SNVBAGLBSA-N 1 3 185.315 0.455 10 0 ACAEHO CC(C)(C)[NH2+][C@@]1(CN)CCCNC1 257810018 573396888 /nfs/dbraw/zinc/39/68/88/573396888.db2.gz ADXLNQQIZMEXCK-SNVBAGLBSA-N 1 3 185.315 0.455 10 0 ACAEHO Cc1noc([C@H]2CC[N@@H+](C)C2)c1CN 257810354 573396974 /nfs/dbraw/zinc/39/69/74/573396974.db2.gz AHTXDICRUGMPKW-QMMMGPOBSA-N 1 3 195.266 0.861 10 0 ACAEHO Cc1noc([C@H]2CC[N@H+](C)C2)c1CN 257810354 573396978 /nfs/dbraw/zinc/39/69/78/573396978.db2.gz AHTXDICRUGMPKW-QMMMGPOBSA-N 1 3 195.266 0.861 10 0 ACAEHO C[C@H]1C[N@@H+](C2CC2)CCCN1 83091524 573397038 /nfs/dbraw/zinc/39/70/38/573397038.db2.gz WIAHYIPMQXBHGI-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO C[C@H]1C[N@H+](C2CC2)CCCN1 83091524 573397046 /nfs/dbraw/zinc/39/70/46/573397046.db2.gz WIAHYIPMQXBHGI-QMMMGPOBSA-N 1 3 154.257 0.833 10 0 ACAEHO CN1CCC[C@H](NC[C@H]2CC[NH2+]C2)C1 257810093 573397990 /nfs/dbraw/zinc/39/79/90/573397990.db2.gz ADPSMPAQURBWSR-QWRGUYRKSA-N 1 3 197.326 0.280 10 0 ACAEHO CNC[C@@H](F)CC1CC[NH2+]CC1 257809958 573398069 /nfs/dbraw/zinc/39/80/69/573398069.db2.gz ABGVOWGBKZPNQM-VIFPVBQESA-N 1 3 174.263 0.934 10 0 ACAEHO CN(C(C)(C)C[NH3+])C(C)(C)CO 133320038 573398122 /nfs/dbraw/zinc/39/81/22/573398122.db2.gz FFWDZFPIAOFBHT-UHFFFAOYSA-N 1 3 174.288 0.426 10 0 ACAEHO CN1CCC[C@@H](NC[C@H]2CC[NH2+]C2)C1 257810094 573398537 /nfs/dbraw/zinc/39/85/37/573398537.db2.gz ADPSMPAQURBWSR-WDEREUQCSA-N 1 3 197.326 0.280 10 0 ACAEHO OC[C@@H]1C[C@@H](N2CCCCC2)CC[NH2+]1 215190149 573398949 /nfs/dbraw/zinc/39/89/49/573398949.db2.gz FFMHVBHEIYOKKL-QWRGUYRKSA-N 1 3 198.310 0.585 10 0 ACAEHO COC[C@H](C)[N@@H+]1CCCN[C@H](C)C1 83091332 573399359 /nfs/dbraw/zinc/39/93/59/573399359.db2.gz BWODVXKEPGWBRS-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO COC[C@H](C)[N@H+]1CCCN[C@H](C)C1 83091332 573399363 /nfs/dbraw/zinc/39/93/63/573399363.db2.gz BWODVXKEPGWBRS-ZJUUUORDSA-N 1 3 186.299 0.705 10 0 ACAEHO OC[C@H]1C[C@@H](N2CCCCC2)CC[NH2+]1 215190245 573399450 /nfs/dbraw/zinc/39/94/50/573399450.db2.gz FFMHVBHEIYOKKL-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO CN1CC[C@H]([C@](C)([NH3+])CCCO)C1 259095222 573399540 /nfs/dbraw/zinc/39/95/40/573399540.db2.gz CBJQJGLDDSIIFG-VHSXEESVSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@@H](CN)C[N@H+](C)C(C)(C)CO 133321441 573399601 /nfs/dbraw/zinc/39/96/01/573399601.db2.gz OONOYTMQNVTLRL-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@@H](CN)C[N@@H+](C)C(C)(C)CO 133321441 573399603 /nfs/dbraw/zinc/39/96/03/573399603.db2.gz OONOYTMQNVTLRL-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)C(C)(C)CO 133321441 573399609 /nfs/dbraw/zinc/39/96/09/573399609.db2.gz OONOYTMQNVTLRL-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO CN1CC[C@H]([C@@](C)([NH3+])CCCO)C1 259095219 573399868 /nfs/dbraw/zinc/39/98/68/573399868.db2.gz CBJQJGLDDSIIFG-UWVGGRQHSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)(C)N[C@]1(CN)CCC[NH2+]C1 257810017 573400048 /nfs/dbraw/zinc/40/00/48/573400048.db2.gz ADXLNQQIZMEXCK-JTQLQIEISA-N 1 3 185.315 0.455 10 0 ACAEHO CC(C)(C)[NH2+][C@]1(CN)CCCNC1 257810017 573400054 /nfs/dbraw/zinc/40/00/54/573400054.db2.gz ADXLNQQIZMEXCK-JTQLQIEISA-N 1 3 185.315 0.455 10 0 ACAEHO C[C@H]([NH3+])[C@@H]1[C@H]2CCCN[C@@H]12 211733590 573400105 /nfs/dbraw/zinc/40/01/05/573400105.db2.gz DANUNZIKSDPXRZ-LXGUWJNJSA-N 1 3 140.230 0.332 10 0 ACAEHO C[C@H](CCN)[N@H+](C)C(C)(C)CO 133322569 573400217 /nfs/dbraw/zinc/40/02/17/573400217.db2.gz YARYEPCVQMPDOF-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)C(C)(C)CO 133322569 573400221 /nfs/dbraw/zinc/40/02/21/573400221.db2.gz YARYEPCVQMPDOF-MRVPVSSYSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@H](CN(C)C)C1([NH3+])CC1 259439849 573400373 /nfs/dbraw/zinc/40/03/73/573400373.db2.gz UOWKJVRRWRTLRW-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO C[NH2+][C@H](OC)C1CCN(C)CC1 259440443 573406936 /nfs/dbraw/zinc/40/69/36/573406936.db2.gz ZSQOIPVPNVQXLM-SECBINFHSA-N 1 3 172.272 0.520 10 0 ACAEHO CC(C)[NH2+][C@@H]1CC[C@@H](N)C1 86396886 573406951 /nfs/dbraw/zinc/40/69/51/573406951.db2.gz NNOJHQLOXDZFHF-HTQZYQBOSA-N 1 3 142.246 0.864 10 0 ACAEHO CCC[N@H+](CCCN)CC[C@@H](C)O 133496341 573406368 /nfs/dbraw/zinc/40/63/68/573406368.db2.gz VGNYAOUPJWTCSC-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCC[N@@H+](CCCN)CC[C@@H](C)O 133496341 573406373 /nfs/dbraw/zinc/40/63/73/573406373.db2.gz VGNYAOUPJWTCSC-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO CCCN(CCC[NH3+])CC[C@@H](C)O 133496341 573406379 /nfs/dbraw/zinc/40/63/79/573406379.db2.gz VGNYAOUPJWTCSC-SNVBAGLBSA-N 1 3 188.315 0.818 10 0 ACAEHO C[C@H]1C[C@H](O)[C@H](C)CN1CCC[NH3+] 238389486 573406453 /nfs/dbraw/zinc/40/64/53/573406453.db2.gz MHFUFXKQTSVSHC-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@H](O)[C@H](C)C[N@@H+]1CCCN 238389486 573406455 /nfs/dbraw/zinc/40/64/55/573406455.db2.gz MHFUFXKQTSVSHC-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO C[C@H]1C[C@H](O)[C@H](C)C[N@H+]1CCCN 238389486 573406460 /nfs/dbraw/zinc/40/64/60/573406460.db2.gz MHFUFXKQTSVSHC-UTLUCORTSA-N 1 3 186.299 0.426 10 0 ACAEHO N[C@@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 86398577 573406470 /nfs/dbraw/zinc/40/64/70/573406470.db2.gz QACUDBMICMLIPR-PSASIEDQSA-N 1 3 184.283 0.635 10 0 ACAEHO COCCN[C@H]1CC[C@H]([NH3+])C1 86396891 573406481 /nfs/dbraw/zinc/40/64/81/573406481.db2.gz ZVSPPRJNEWQHRX-YUMQZZPRSA-N 1 3 158.245 0.102 10 0 ACAEHO [NH3+][C@@H]1CC[C@](F)(CNC2CC2)C1 257810472 573406514 /nfs/dbraw/zinc/40/65/14/573406514.db2.gz ALACPNXUHBKHJT-VXNVDRBHSA-N 1 3 172.247 0.958 10 0 ACAEHO C[NH2+][C@@H]1CC[C@H](N)C1 86396755 573406536 /nfs/dbraw/zinc/40/65/36/573406536.db2.gz UVRACRXTNOLTMJ-NTSWFWBYSA-N 1 3 114.192 0.086 10 0 ACAEHO CCC[NH2+][C@@H]1CC[C@@H](N)C1 86396771 573406560 /nfs/dbraw/zinc/40/65/60/573406560.db2.gz ILOGLNKKMWKLDK-HTQZYQBOSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H](CC(N)=[NH2+])N(C)C(C)(C)CO 133487171 573406657 /nfs/dbraw/zinc/40/66/57/573406657.db2.gz KNZPJTFOVDYKPJ-SSDOTTSWSA-N 1 3 187.287 0.404 10 0 ACAEHO CC[NH2+][C@H]1CC[C@H](N)C1 86396795 573406716 /nfs/dbraw/zinc/40/67/16/573406716.db2.gz YNVIVCHPDZQKDO-BQBZGAKWSA-N 1 3 128.219 0.476 10 0 ACAEHO CC[N@H+](CCCN)CC[C@@H](C)O 133495955 573406807 /nfs/dbraw/zinc/40/68/07/573406807.db2.gz KGPRVARAKFUISP-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO CC[N@@H+](CCCN)CC[C@@H](C)O 133495955 573406811 /nfs/dbraw/zinc/40/68/11/573406811.db2.gz KGPRVARAKFUISP-SECBINFHSA-N 1 3 174.288 0.428 10 0 ACAEHO COCCN[C@@H]1CC[C@@H]([NH3+])C1 86396893 573406817 /nfs/dbraw/zinc/40/68/17/573406817.db2.gz ZVSPPRJNEWQHRX-HTQZYQBOSA-N 1 3 158.245 0.102 10 0 ACAEHO N[C@@H](C1CCCC1)C1([NH3+])CC1 259611015 573412489 /nfs/dbraw/zinc/41/24/89/573412489.db2.gz XMEUQFNWAJDGLG-QMMMGPOBSA-N 1 3 154.257 0.995 10 0 ACAEHO N[C@H]1CCC[C@@H]([NH2+]CC2CC(O)C2)C1 86404774 573412737 /nfs/dbraw/zinc/41/27/37/573412737.db2.gz YSRZFMJJXVVGLN-LIZLNQBYSA-N 1 3 198.310 0.617 10 0 ACAEHO N[C@H](C1CCCC1)C1([NH3+])CC1 259611013 573412759 /nfs/dbraw/zinc/41/27/59/573412759.db2.gz XMEUQFNWAJDGLG-MRVPVSSYSA-N 1 3 154.257 0.995 10 0 ACAEHO CN1CCC(O[C@@H]2CCC[NH2+]C2)CC1 260291430 573412863 /nfs/dbraw/zinc/41/28/63/573412863.db2.gz YMOCRQRADQLJSU-LLVKDONJSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@H]1CC[C@H](CN)C[NH2+]1 83119307 573413035 /nfs/dbraw/zinc/41/30/35/573413035.db2.gz XPKIBNPEULOILJ-NKWVEPMBSA-N 1 3 128.219 0.333 10 0 ACAEHO CN1CCCN([C@@H]2CC[C@H]([NH3+])C2)CC1 86409951 573417105 /nfs/dbraw/zinc/41/71/05/573417105.db2.gz XWAVDILSNOTFCY-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN(C)[C@@H]1CC[C@H]([NH3+])C1 86410063 573416417 /nfs/dbraw/zinc/41/64/17/573416417.db2.gz KYRUOWSTXPUGOG-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO COC1CCN([C@@H]2CC[C@@H]([NH3+])C2)CC1 86410208 573416505 /nfs/dbraw/zinc/41/65/05/573416505.db2.gz KFJCVTTXPPAJSX-NXEZZACHSA-N 1 3 198.310 0.977 10 0 ACAEHO C[N@@H+]1C[C@@H](CN)CC1(C)C 107218244 573416518 /nfs/dbraw/zinc/41/65/18/573416518.db2.gz IBBQRPYNTSTOKE-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO C[N@H+]1C[C@@H](CN)CC1(C)C 107218244 573416521 /nfs/dbraw/zinc/41/65/21/573416521.db2.gz IBBQRPYNTSTOKE-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@@]1(CO)C[C@H](CN2CCCC2)C[NH2+]1 258335355 573416530 /nfs/dbraw/zinc/41/65/30/573416530.db2.gz XHNBRFJNNZKSGS-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO CC/C=C/CN1CCC(O)(C[NH3+])CC1 308387780 573416531 /nfs/dbraw/zinc/41/65/31/573416531.db2.gz GBHOYPBSJGAUNY-ONEGZZNKSA-N 1 3 198.310 0.738 10 0 ACAEHO CC(C)[NH2+][C@H]1CCNCC[C@H]1CO 215197561 573416563 /nfs/dbraw/zinc/41/65/63/573416563.db2.gz YZLVXCKWMHUWQK-UWVGGRQHSA-N 1 3 186.299 0.345 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CCC(O)CC2)C1 86409720 573416617 /nfs/dbraw/zinc/41/66/17/573416617.db2.gz KNQCUMIOIZZKIH-BDAKNGLRSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CCC(O)CC2)C1 86409724 573416786 /nfs/dbraw/zinc/41/67/86/573416786.db2.gz KNQCUMIOIZZKIH-IUCAKERBSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+][C@H]1CC[C@H](N2CCSCC2)C1 86409968 573416856 /nfs/dbraw/zinc/41/68/56/573416856.db2.gz NKFNXZVIINDRDI-IUCAKERBSA-N 1 3 186.324 0.915 10 0 ACAEHO CNC[C@H](C[NH3+])c1ccco1 258338313 573416885 /nfs/dbraw/zinc/41/68/85/573416885.db2.gz YZPITRBYLCVTOY-ZETCQYMHSA-N 1 3 154.213 0.541 10 0 ACAEHO CC(C)[NH2+][C@H]1CCNCC[C@@H]1CO 215197465 573416913 /nfs/dbraw/zinc/41/69/13/573416913.db2.gz YZLVXCKWMHUWQK-ZJUUUORDSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]1N(C)CC[C@@]12CC[NH2+]C2 107219975 573416936 /nfs/dbraw/zinc/41/69/36/573416936.db2.gz ZENGSBMRHDBJGT-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO OC[C@@H]1CCNCC[C@H]1[NH+]1CCCC1 215200213 573419194 /nfs/dbraw/zinc/41/91/94/573419194.db2.gz VKLYLMIIYVYBRA-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO CCN1CCC[C@](C[NH3+])(N(C)C)C1 259445005 573419224 /nfs/dbraw/zinc/41/92/24/573419224.db2.gz VQQDENVJLOKLDE-SNVBAGLBSA-N 1 3 185.315 0.361 10 0 ACAEHO C[C@@H]1[C@H]2CCNC[C@@H]2C[N@@H+]1C 107219827 573419252 /nfs/dbraw/zinc/41/92/52/573419252.db2.gz ISXYAUAOBCIQCX-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO C[C@@H]1[C@H]2CCNC[C@@H]2C[N@H+]1C 107219827 573419257 /nfs/dbraw/zinc/41/92/57/573419257.db2.gz ISXYAUAOBCIQCX-IWSPIJDZSA-N 1 3 154.257 0.546 10 0 ACAEHO CC(C)[NH2+][C@@H]1CCNCC[C@H]1CO 215197516 573419319 /nfs/dbraw/zinc/41/93/19/573419319.db2.gz YZLVXCKWMHUWQK-VHSXEESVSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@H]1C[C@]2(CC[NH2+]C2)CN1C 107219967 573419320 /nfs/dbraw/zinc/41/93/20/573419320.db2.gz ARQYEVXMGYOXJK-IUCAKERBSA-N 1 3 154.257 0.690 10 0 ACAEHO CC[C@@H]1C[C@H](CN)C[N@@H+]1C 107218229 573419369 /nfs/dbraw/zinc/41/93/69/573419369.db2.gz DIICJFRRETYWGD-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@@H]1C[C@H](CN)C[N@H+]1C 107218229 573419376 /nfs/dbraw/zinc/41/93/76/573419376.db2.gz DIICJFRRETYWGD-HTQZYQBOSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@]1(CO)C[C@@H](CN2CCCC2)C[NH2+]1 258335349 573419404 /nfs/dbraw/zinc/41/94/04/573419404.db2.gz XHNBRFJNNZKSGS-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CC[C@H]1C[C@H](CN)C[N@@H+]1C 107218233 573419538 /nfs/dbraw/zinc/41/95/38/573419538.db2.gz DIICJFRRETYWGD-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@H]1C[C@H](CN)C[N@H+]1C 107218233 573419546 /nfs/dbraw/zinc/41/95/46/573419546.db2.gz DIICJFRRETYWGD-SFYZADRCSA-N 1 3 142.246 0.675 10 0 ACAEHO [NH3+][C@@H]1CC[C@H](N2CCSCC2)C1 86409963 573419708 /nfs/dbraw/zinc/41/97/08/573419708.db2.gz NKFNXZVIINDRDI-BDAKNGLRSA-N 1 3 186.324 0.915 10 0 ACAEHO C[C@@H]1C[C@@]2(CC[NH2+]C2)CN1C 107219959 573419777 /nfs/dbraw/zinc/41/97/77/573419777.db2.gz ARQYEVXMGYOXJK-RKDXNWHRSA-N 1 3 154.257 0.690 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@@H+]1C1CC1 107219983 573419867 /nfs/dbraw/zinc/41/98/67/573419867.db2.gz PRIMYXZHKJTJBX-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H]1C[C@H](CN)C[N@H+]1C1CC1 107219983 573419870 /nfs/dbraw/zinc/41/98/70/573419870.db2.gz PRIMYXZHKJTJBX-JGVFFNPUSA-N 1 3 154.257 0.818 10 0 ACAEHO C[NH2+]CCCN(C)C(C)(C)CO 133711774 573419920 /nfs/dbraw/zinc/41/99/20/573419920.db2.gz MNPVFWASJMNRNQ-UHFFFAOYSA-N 1 3 174.288 0.299 10 0 ACAEHO C[N@H+](CC1CC(O)C1)[C@H]1CC[C@H](N)C1 86433031 573423679 /nfs/dbraw/zinc/42/36/79/573423679.db2.gz MCYRBTJLMCBVNN-SEQHWMEXSA-N 1 3 198.310 0.569 10 0 ACAEHO C[N@@H+](CC1CC(O)C1)[C@H]1CC[C@H](N)C1 86433031 573423685 /nfs/dbraw/zinc/42/36/85/573423685.db2.gz MCYRBTJLMCBVNN-SEQHWMEXSA-N 1 3 198.310 0.569 10 0 ACAEHO CN(CC1CC(O)C1)[C@H]1CC[C@H]([NH3+])C1 86433031 573423690 /nfs/dbraw/zinc/42/36/90/573423690.db2.gz MCYRBTJLMCBVNN-SEQHWMEXSA-N 1 3 198.310 0.569 10 0 ACAEHO Cc1oc(CC[NH3+])nc1[C@@H]1CCCN1 258019169 573420736 /nfs/dbraw/zinc/42/07/36/573420736.db2.gz HXBJZWZUHKYLFW-QMMMGPOBSA-N 1 3 195.266 0.909 10 0 ACAEHO CN1CCC([C@H]2C[NH2+][C@H](CO)C2)CC1 258026473 573424149 /nfs/dbraw/zinc/42/41/49/573424149.db2.gz BVISCEOPNBAPQS-MNOVXSKESA-N 1 3 198.310 0.299 10 0 ACAEHO CN1CCC([C@H]2C[NH2+][C@@H](CO)C2)CC1 258026467 573424168 /nfs/dbraw/zinc/42/41/68/573424168.db2.gz BVISCEOPNBAPQS-GHMZBOCLSA-N 1 3 198.310 0.299 10 0 ACAEHO C[N@@H+]1CCC[C@@H](C[C@H]2NCCO2)C1 258019804 573424200 /nfs/dbraw/zinc/42/42/00/573424200.db2.gz BXDDDUGKHSNBIA-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO C[N@H+]1CCC[C@@H](C[C@H]2NCCO2)C1 258019804 573424205 /nfs/dbraw/zinc/42/42/05/573424205.db2.gz BXDDDUGKHSNBIA-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N2CC[C@H](O)C2)C1 86432725 573424230 /nfs/dbraw/zinc/42/42/30/573424230.db2.gz ZEIGTVJTVMRLIV-UTLUCORTSA-N 1 3 184.283 0.323 10 0 ACAEHO CN(C)C[C@@H](C[NH3+])[C@H]1CCSC1 258019805 573424287 /nfs/dbraw/zinc/42/42/87/573424287.db2.gz FXXPFGJEBDMGQU-DTWKUNHWSA-N 1 3 188.340 0.876 10 0 ACAEHO CN(CC(C)(C)O)[C@H]1CC[C@H]([NH3+])C1 86433076 573424293 /nfs/dbraw/zinc/42/42/93/573424293.db2.gz HJRCSQMTOBHUHK-IUCAKERBSA-N 1 3 186.299 0.569 10 0 ACAEHO CNCc1ccnn1[C@@H]1CC[NH2+]C1 257811694 573424493 /nfs/dbraw/zinc/42/44/93/573424493.db2.gz BHKUEIWGALCHFE-SECBINFHSA-N 1 3 180.255 0.137 10 0 ACAEHO C[C@H](O)CN(C)[C@@H]1CC[C@H]([NH3+])C1 86432684 573424503 /nfs/dbraw/zinc/42/45/03/573424503.db2.gz AEPINAVXLCBDEZ-XHNCKOQMSA-N 1 3 172.272 0.179 10 0 ACAEHO NC[C@]1(NC2CCC2)CCC[NH2+]C1 257811448 573424696 /nfs/dbraw/zinc/42/46/96/573424696.db2.gz BBQFJEYXXVSMNB-SNVBAGLBSA-N 1 3 183.299 0.209 10 0 ACAEHO [NH3+]C[C@]1(NC2CCC2)CCCNC1 257811448 573424702 /nfs/dbraw/zinc/42/47/02/573424702.db2.gz BBQFJEYXXVSMNB-SNVBAGLBSA-N 1 3 183.299 0.209 10 0 ACAEHO CC[C@H]1CCCCN1[C@@H](C[NH3+])CO 130022482 573424762 /nfs/dbraw/zinc/42/47/62/573424762.db2.gz USEXXZRBWMQFJQ-UWVGGRQHSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1[C@H](C)C[C@@]1(CN)[NH2+]CCN(C)C 308582685 573424859 /nfs/dbraw/zinc/42/48/59/573424859.db2.gz QDFRZAJDWBEQCA-VWYCJHECSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@H]1[C@H](C)C[C@@]1(C[NH3+])NCCN(C)C 308582685 573424863 /nfs/dbraw/zinc/42/48/63/573424863.db2.gz QDFRZAJDWBEQCA-VWYCJHECSA-N 1 3 199.342 0.511 10 0 ACAEHO CO[C@H](C)CN[C@@H](C[NH3+])CC(C)C 224104072 573425018 /nfs/dbraw/zinc/42/50/18/573425018.db2.gz LJDXHASNSFNKJI-NXEZZACHSA-N 1 3 188.315 0.984 10 0 ACAEHO CN(C)C[C@H](C[NH3+])[C@H]1CCSC1 258019809 573425044 /nfs/dbraw/zinc/42/50/44/573425044.db2.gz FXXPFGJEBDMGQU-IUCAKERBSA-N 1 3 188.340 0.876 10 0 ACAEHO Cc1oc(CC[NH3+])nc1[C@H]1CCCN1 258019166 573425066 /nfs/dbraw/zinc/42/50/66/573425066.db2.gz HXBJZWZUHKYLFW-MRVPVSSYSA-N 1 3 195.266 0.909 10 0 ACAEHO OC[C@@H]1CCCC[N@@H+]1C1CCNCC1 83141748 573425324 /nfs/dbraw/zinc/42/53/24/573425324.db2.gz RJHGJWAQICZARS-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@@H]1CCCC[N@H+]1C1CCNCC1 83141748 573425327 /nfs/dbraw/zinc/42/53/27/573425327.db2.gz RJHGJWAQICZARS-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@@H]1CCCCN1C1CC[NH2+]CC1 83141748 573425330 /nfs/dbraw/zinc/42/53/30/573425330.db2.gz RJHGJWAQICZARS-NSHDSACASA-N 1 3 198.310 0.585 10 0 ACAEHO OC[C@H]1CCCC[N@@H+]1C1CCNCC1 83141750 573425344 /nfs/dbraw/zinc/42/53/44/573425344.db2.gz RJHGJWAQICZARS-LLVKDONJSA-N 1 3 198.310 0.585 10 0 ACAEHO [NH3+]C[C@@]1(N2CCCCC2)CCCNC1 257811572 573427111 /nfs/dbraw/zinc/42/71/11/573427111.db2.gz BGXYSCBUXCWTKF-NSHDSACASA-N 1 3 197.326 0.553 10 0 ACAEHO C[C@@H]1CN([C@@H]2CC[C@H]([NH3+])C2)CCCO1 86432749 573427166 /nfs/dbraw/zinc/42/71/66/573427166.db2.gz WGAZXAXQBRBRAU-OUAUKWLOSA-N 1 3 198.310 0.977 10 0 ACAEHO [NH3+]Cc1cc(CN2CCC2)c[nH]1 258649705 573427353 /nfs/dbraw/zinc/42/73/53/573427353.db2.gz ZJKAZSNVVMEBJW-UHFFFAOYSA-N 1 3 165.240 0.679 10 0 ACAEHO [NH3+][C@@H]1CCC[C@H](N2CCCOCC2)C1 86432754 573427371 /nfs/dbraw/zinc/42/73/71/573427371.db2.gz KHJITNJGJFEGDU-MNOVXSKESA-N 1 3 198.310 0.979 10 0 ACAEHO CC(C)(C)[C@H](N)N1CC[NH2+]CC1 259446587 573427388 /nfs/dbraw/zinc/42/73/88/573427388.db2.gz NWPKCURLEYTJLZ-MRVPVSSYSA-N 1 3 171.288 0.223 10 0 ACAEHO CC(C)[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1C 107223772 573427438 /nfs/dbraw/zinc/42/74/38/573427438.db2.gz VZPJZQDZLYGDQF-KXUCPTDWSA-N 1 3 168.284 0.792 10 0 ACAEHO C[N@H+](CC1CC(O)C1)[C@@H]1CC[C@H](N)C1 86433030 573427469 /nfs/dbraw/zinc/42/74/69/573427469.db2.gz MCYRBTJLMCBVNN-LIZLNQBYSA-N 1 3 198.310 0.569 10 0 ACAEHO C[N@@H+](CC1CC(O)C1)[C@@H]1CC[C@H](N)C1 86433030 573427472 /nfs/dbraw/zinc/42/74/72/573427472.db2.gz MCYRBTJLMCBVNN-LIZLNQBYSA-N 1 3 198.310 0.569 10 0 ACAEHO CN(CC1CC(O)C1)[C@@H]1CC[C@H]([NH3+])C1 86433030 573427477 /nfs/dbraw/zinc/42/74/77/573427477.db2.gz MCYRBTJLMCBVNN-LIZLNQBYSA-N 1 3 198.310 0.569 10 0 ACAEHO CN(CCO)[C@@H]1CCC[C@H]([NH3+])C1 86431603 573427512 /nfs/dbraw/zinc/42/75/12/573427512.db2.gz NIBNWRQYDMCGEQ-DTWKUNHWSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CCN1C 107223711 573427526 /nfs/dbraw/zinc/42/75/26/573427526.db2.gz JPPINYCZBBAPCR-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@H]2CNCC[C@@H]2CC[N@@H+]1C 107223711 573427531 /nfs/dbraw/zinc/42/75/31/573427531.db2.gz JPPINYCZBBAPCR-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@@H]1[C@H]2CNCC[C@@H]2CC[N@H+]1C 107223711 573427538 /nfs/dbraw/zinc/42/75/38/573427538.db2.gz JPPINYCZBBAPCR-OPRDCNLKSA-N 1 3 168.284 0.936 10 0 ACAEHO CCCN(C(C)C)[C@H](C[NH3+])CO 130023826 573427658 /nfs/dbraw/zinc/42/76/58/573427658.db2.gz OGQLIMKNYWTMGF-SECBINFHSA-N 1 3 174.288 0.426 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1ccnn1C 308581636 573431052 /nfs/dbraw/zinc/43/10/52/573431052.db2.gz PLKQDVHVFORMSJ-VIFPVBQESA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@@H](C[NH3+])CNCCc1ccnn1C 308581636 573431062 /nfs/dbraw/zinc/43/10/62/573431062.db2.gz PLKQDVHVFORMSJ-VIFPVBQESA-N 1 3 196.298 0.147 10 0 ACAEHO OC[C@H]1CCNC[C@@H]1[NH+]1CCCC1 215203182 573431221 /nfs/dbraw/zinc/43/12/21/573431221.db2.gz VDLQAQVNYYQOMZ-ZJUUUORDSA-N 1 3 184.283 0.053 10 0 ACAEHO CCN(CC(C)C)[C@@H](C[NH3+])CO 130025924 573431263 /nfs/dbraw/zinc/43/12/63/573431263.db2.gz BYVVWVWBDOTMLB-VIFPVBQESA-N 1 3 174.288 0.284 10 0 ACAEHO CN1CCC(NC2=[NH+]CCC2)CC1 86454574 573434152 /nfs/dbraw/zinc/43/41/52/573434152.db2.gz DHGHBZDGLIDMNJ-UHFFFAOYSA-N 1 3 181.283 0.863 10 0 ACAEHO C[N@@H+]1C[C@@H]2CCNC[C@H]2C1(C)C 107223750 573434202 /nfs/dbraw/zinc/43/42/02/573434202.db2.gz RTMIEKJXFLAIMK-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[N@H+]1C[C@@H]2CCNC[C@H]2C1(C)C 107223750 573434206 /nfs/dbraw/zinc/43/42/06/573434206.db2.gz RTMIEKJXFLAIMK-DTWKUNHWSA-N 1 3 168.284 0.936 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1ccnn1C 308581635 573434244 /nfs/dbraw/zinc/43/42/44/573434244.db2.gz PLKQDVHVFORMSJ-SECBINFHSA-N 1 3 196.298 0.147 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1ccnn1C 308581635 573434252 /nfs/dbraw/zinc/43/42/52/573434252.db2.gz PLKQDVHVFORMSJ-SECBINFHSA-N 1 3 196.298 0.147 10 0 ACAEHO OC[C@H]1CCNC[C@H]1[NH+]1CCCC1 215203136 573434299 /nfs/dbraw/zinc/43/42/99/573434299.db2.gz VDLQAQVNYYQOMZ-NXEZZACHSA-N 1 3 184.283 0.053 10 0 ACAEHO CC(C)[C@@H](C)N(C)[C@@H](C[NH3+])CO 130033700 573434531 /nfs/dbraw/zinc/43/45/31/573434531.db2.gz PNTGQTBMKDLLSV-BDAKNGLRSA-N 1 3 174.288 0.282 10 0 ACAEHO OC[C@@H]1CCNC[C@H]1[NH+]1CCCC1 215203233 573434534 /nfs/dbraw/zinc/43/45/34/573434534.db2.gz VDLQAQVNYYQOMZ-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO NC[C@@]1(Nc2ccccc2)CC[NH2+]C1 257811870 573434796 /nfs/dbraw/zinc/43/47/96/573434796.db2.gz BLGWSFRXODMZPL-NSHDSACASA-N 1 3 191.278 0.789 10 0 ACAEHO C[N@@H+]1C[C@H]2CCNC[C@H]2C1(C)C 107223743 573434812 /nfs/dbraw/zinc/43/48/12/573434812.db2.gz RTMIEKJXFLAIMK-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C[N@H+]1C[C@H]2CCNC[C@H]2C1(C)C 107223743 573434816 /nfs/dbraw/zinc/43/48/16/573434816.db2.gz RTMIEKJXFLAIMK-RKDXNWHRSA-N 1 3 168.284 0.936 10 0 ACAEHO C(C[C@H]1CN2CCN1CC2)[NH2+]C1CC1 214896453 573446873 /nfs/dbraw/zinc/44/68/73/573446873.db2.gz AMAVKEOYVYDIIK-NSHDSACASA-N 1 3 195.310 0.128 10 0 ACAEHO CN1CCC[C@H](C(=O)C(C)(C)C[NH3+])C1 259103344 573446950 /nfs/dbraw/zinc/44/69/50/573446950.db2.gz HGVOQXSYCBUIEE-VIFPVBQESA-N 1 3 198.310 0.882 10 0 ACAEHO OC[C@@H]1C[C@H](CN2CCCC2)C[NH2+]1 258355539 573446274 /nfs/dbraw/zinc/44/62/74/573446274.db2.gz YWESTCFHTGGZQD-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO C[NH2+]C[C@@H](CN)[C@@H]1CCSC1 258346336 573446336 /nfs/dbraw/zinc/44/63/36/573446336.db2.gz ZNSNMZALQHAGPY-HTQZYQBOSA-N 1 3 174.313 0.534 10 0 ACAEHO C[NH2+]C[C@H](CN)[C@@H]1CCSC1 258346338 573446409 /nfs/dbraw/zinc/44/64/09/573446409.db2.gz ZNSNMZALQHAGPY-SFYZADRCSA-N 1 3 174.313 0.534 10 0 ACAEHO OC[C@H]1C[C@H](CN2CCCC2)C[NH2+]1 258355541 573446483 /nfs/dbraw/zinc/44/64/83/573446483.db2.gz YWESTCFHTGGZQD-VHSXEESVSA-N 1 3 184.283 0.053 10 0 ACAEHO CCCN1C(N)=[NH+]C[C@@]12CCN(C)C2 86460061 573446566 /nfs/dbraw/zinc/44/65/66/573446566.db2.gz QHBQZWPVOJOISS-SNVBAGLBSA-N 1 3 196.298 0.101 10 0 ACAEHO N[C@@H]1C[C@H]1[C@H]1CCC[NH2+]1 259454146 573457723 /nfs/dbraw/zinc/45/77/23/573457723.db2.gz VSZHDOFOOOYFNQ-FSDSQADBSA-N 1 3 126.203 0.086 10 0 ACAEHO [NH3+]CCc1cccc2c1CNC2 258353651 573457782 /nfs/dbraw/zinc/45/77/82/573457782.db2.gz ZOKKNNDLGGJTTR-UHFFFAOYSA-N 1 3 162.236 0.791 10 0 ACAEHO NCc1nn(C2CC2)c2c1CC[NH2+]C2 257817742 573457920 /nfs/dbraw/zinc/45/79/20/573457920.db2.gz DYVLCTULLZNQQD-UHFFFAOYSA-N 1 3 192.266 0.322 10 0 ACAEHO C[C@H](C[NH3+])N[C@@H](CO)CC(C)(C)C 393523343 573467908 /nfs/dbraw/zinc/46/79/08/573467908.db2.gz RBBVMBRVTGOWQT-RKDXNWHRSA-N 1 3 188.315 0.720 10 0 ACAEHO C[C@H](N)c1ccnn1[C@@H]1CCC[NH2+]C1 257820632 573468042 /nfs/dbraw/zinc/46/80/42/573468042.db2.gz FSRRZDXPOAEWQC-DTWKUNHWSA-N 1 3 194.282 0.827 10 0 ACAEHO [NH3+]CC[C@]1(c2ccc(O)cc2)CCN1 258393908 573468115 /nfs/dbraw/zinc/46/81/15/573468115.db2.gz YRMMQVPSZHAEFL-LLVKDONJSA-N 1 3 192.262 0.930 10 0 ACAEHO OC[C@]1(C[C@@H]2CCC[NH2+]2)CCCCN1 258035044 573468134 /nfs/dbraw/zinc/46/81/34/573468134.db2.gz HOKIWIPJIAAZJS-WDEREUQCSA-N 1 3 198.310 0.633 10 0 ACAEHO [NH3+]CC[C@@]1(c2ccc(O)cc2)CCN1 258393911 573468320 /nfs/dbraw/zinc/46/83/20/573468320.db2.gz YRMMQVPSZHAEFL-NSHDSACASA-N 1 3 192.262 0.930 10 0 ACAEHO C[C@H](C[NH3+])N[C@H](CO)CC(C)(C)C 393523340 573468397 /nfs/dbraw/zinc/46/83/97/573468397.db2.gz RBBVMBRVTGOWQT-BDAKNGLRSA-N 1 3 188.315 0.720 10 0 ACAEHO C[N@@H+]1CCC[C@H]1Cc1oncc1CN 258393208 573468480 /nfs/dbraw/zinc/46/84/80/573468480.db2.gz BGWOJPAJCKOLHZ-VIFPVBQESA-N 1 3 195.266 0.770 10 0 ACAEHO C[N@H+]1CCC[C@H]1Cc1oncc1CN 258393208 573468486 /nfs/dbraw/zinc/46/84/86/573468486.db2.gz BGWOJPAJCKOLHZ-VIFPVBQESA-N 1 3 195.266 0.770 10 0 ACAEHO CN1CCC([C@H]2C[NH2+]C[C@]2(C)O)CC1 258037546 573468603 /nfs/dbraw/zinc/46/86/03/573468603.db2.gz IZNDBNXRRKNELP-MNOVXSKESA-N 1 3 198.310 0.299 10 0 ACAEHO CN(C)CCN(C)CC[C@@H]([NH3+])C1CC1 130101753 573468809 /nfs/dbraw/zinc/46/88/09/573468809.db2.gz KJSVDOOCNIRWNY-LLVKDONJSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H](NCCC1(O)CCC1)C1C[NH2+]C1 686254180 573468914 /nfs/dbraw/zinc/46/89/14/573468914.db2.gz QZYIVIYBXIKEOK-VIFPVBQESA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@H]([NH2+]CCC1(O)CCC1)C1CNC1 686254180 573468918 /nfs/dbraw/zinc/46/89/18/573468918.db2.gz QZYIVIYBXIKEOK-VIFPVBQESA-N 1 3 198.310 0.489 10 0 ACAEHO CC(C)[C@H]1C[C@@H](C[NH3+])N(C)C1 258498719 573469010 /nfs/dbraw/zinc/46/90/10/573469010.db2.gz KTBKJYQBAQYSCH-IUCAKERBSA-N 1 3 156.273 0.921 10 0 ACAEHO NC1(c2nc([C@H]3CC[NH2+]C3)c[nH]2)CC1 257815569 573469059 /nfs/dbraw/zinc/46/90/59/573469059.db2.gz CYWIALKBJCSOSO-ZETCQYMHSA-N 1 3 192.266 0.434 10 0 ACAEHO N[C@H](CC[NH2+]C[C@@H]1CCOC1)C1CC1 130090069 573469110 /nfs/dbraw/zinc/46/91/10/573469110.db2.gz FMLULKNHSZWWKM-GXSJLCMTSA-N 1 3 198.310 0.740 10 0 ACAEHO N[C@H](CC[NH2+]C[C@H]1CCOC1)C1CC1 130090464 573469127 /nfs/dbraw/zinc/46/91/27/573469127.db2.gz FMLULKNHSZWWKM-MWLCHTKSSA-N 1 3 198.310 0.740 10 0 ACAEHO CC(C)[C@@H]1C[C@H](C[NH3+])N(C)C1 258498727 573469258 /nfs/dbraw/zinc/46/92/58/573469258.db2.gz KTBKJYQBAQYSCH-RKDXNWHRSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H](NCCC1(O)CCC1)C1C[NH2+]C1 686254178 573469557 /nfs/dbraw/zinc/46/95/57/573469557.db2.gz QZYIVIYBXIKEOK-SECBINFHSA-N 1 3 198.310 0.489 10 0 ACAEHO C[C@@H]([NH2+]CCC1(O)CCC1)C1CNC1 686254178 573469567 /nfs/dbraw/zinc/46/95/67/573469567.db2.gz QZYIVIYBXIKEOK-SECBINFHSA-N 1 3 198.310 0.489 10 0 ACAEHO CN1CCC([C@H]2C[NH2+]C[C@@]2(C)O)CC1 258037543 573469838 /nfs/dbraw/zinc/46/98/38/573469838.db2.gz IZNDBNXRRKNELP-GHMZBOCLSA-N 1 3 198.310 0.299 10 0 ACAEHO CN1CCC([C@@H]2C[NH2+]C[C@]2(C)O)CC1 258037549 573470194 /nfs/dbraw/zinc/47/01/94/573470194.db2.gz IZNDBNXRRKNELP-QWRGUYRKSA-N 1 3 198.310 0.299 10 0 ACAEHO N[C@@H](CC[NH2+]C[C@H]1CCOC1)C1CC1 130090629 573470344 /nfs/dbraw/zinc/47/03/44/573470344.db2.gz FMLULKNHSZWWKM-KOLCDFICSA-N 1 3 198.310 0.740 10 0 ACAEHO C[C@H]1SCC[C@@H]1[NH2+]CCCN 235602959 573473067 /nfs/dbraw/zinc/47/30/67/573473067.db2.gz KBNWLRDGMXRGIG-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1SCC[C@@H]1NCCC[NH3+] 235602959 573473074 /nfs/dbraw/zinc/47/30/74/573473074.db2.gz KBNWLRDGMXRGIG-SFYZADRCSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1OCC[C@@H]1C[NH2+]C1CC(N)C1 235603471 573473109 /nfs/dbraw/zinc/47/31/09/573473109.db2.gz HOMLHGSNWUISQK-LGUIWLBCSA-N 1 3 184.283 0.491 10 0 ACAEHO C[C@H]1OCC[C@@H]1CNC1CC([NH3+])C1 235603471 573473113 /nfs/dbraw/zinc/47/31/13/573473113.db2.gz HOMLHGSNWUISQK-LGUIWLBCSA-N 1 3 184.283 0.491 10 0 ACAEHO C[N@@H+]1CC[C@H](N)C12CC2 107282214 573473273 /nfs/dbraw/zinc/47/32/73/573473273.db2.gz XVYYTIWEPGURTL-LURJTMIESA-N 1 3 126.203 0.182 10 0 ACAEHO C[N@H+]1CC[C@H](N)C12CC2 107282214 573473275 /nfs/dbraw/zinc/47/32/75/573473275.db2.gz XVYYTIWEPGURTL-LURJTMIESA-N 1 3 126.203 0.182 10 0 ACAEHO CN(C)CCN[C@@H]1C[NH2+]C(C)(C)C1 258669162 573473367 /nfs/dbraw/zinc/47/33/67/573473367.db2.gz HKGGXYCVKCBHLA-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO C[NH2+][C@H](C[C@@H]1CN(C)CCN1)C(C)C 259100514 573473410 /nfs/dbraw/zinc/47/34/10/573473410.db2.gz AHARQHGHTAZOGT-GHMZBOCLSA-N 1 3 199.342 0.524 10 0 ACAEHO C[NH+](C)C[C@H](O)CNCCC(F)F 308391220 573473529 /nfs/dbraw/zinc/47/35/29/573473529.db2.gz YJTPYYMAMUQMPW-SSDOTTSWSA-N 1 3 196.241 0.154 10 0 ACAEHO COCCC[NH2+]CC[C@@H](C)N 258666386 573473748 /nfs/dbraw/zinc/47/37/48/573473748.db2.gz HFKWJLANDATOMI-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO COCCCNCC[C@@H](C)[NH3+] 258666386 573473755 /nfs/dbraw/zinc/47/37/55/573473755.db2.gz HFKWJLANDATOMI-MRVPVSSYSA-N 1 3 160.261 0.350 10 0 ACAEHO C[NH2+][C@@H](C[C@H]1CN(C)CCN1)C(C)C 259100518 573474148 /nfs/dbraw/zinc/47/41/48/573474148.db2.gz AHARQHGHTAZOGT-QWRGUYRKSA-N 1 3 199.342 0.524 10 0 ACAEHO O=C(CN1CCCC1)[C@H]1CC[NH2+]C1 259463140 573474582 /nfs/dbraw/zinc/47/45/82/573474582.db2.gz WGZKSZAPZBTLCB-VIFPVBQESA-N 1 3 182.267 0.261 10 0 ACAEHO CC[NH2+][C@@H](C)CN(C)[C@@H]1CCN(C)C1 308594230 573474620 /nfs/dbraw/zinc/47/46/20/573474620.db2.gz XMXNZJFKQGJKAO-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO CN1CCC[C@H]1[C@H](F)CC[NH3+] 107282154 573474649 /nfs/dbraw/zinc/47/46/49/573474649.db2.gz MSFAQDCGULUULY-SFYZADRCSA-N 1 3 160.236 0.768 10 0 ACAEHO CC[NH2+][C@H](C)CN(C)[C@H]1CCN(C)C1 308594228 573474893 /nfs/dbraw/zinc/47/48/93/573474893.db2.gz XMXNZJFKQGJKAO-MNOVXSKESA-N 1 3 199.342 0.620 10 0 ACAEHO COCCC[NH2+]CC[C@H](C)N 258666387 573474977 /nfs/dbraw/zinc/47/49/77/573474977.db2.gz HFKWJLANDATOMI-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO COCCCNCC[C@H](C)[NH3+] 258666387 573474983 /nfs/dbraw/zinc/47/49/83/573474983.db2.gz HFKWJLANDATOMI-QMMMGPOBSA-N 1 3 160.261 0.350 10 0 ACAEHO CN(C)CCN[C@H]1C[NH2+]C(C)(C)C1 258669160 573475126 /nfs/dbraw/zinc/47/51/26/573475126.db2.gz HKGGXYCVKCBHLA-SECBINFHSA-N 1 3 185.315 0.278 10 0 ACAEHO F[C@@H]1CNCCC12CC[NH2+]CC2 257820904 573475496 /nfs/dbraw/zinc/47/54/96/573475496.db2.gz FUHAGRDUONQACP-MRVPVSSYSA-N 1 3 172.247 0.688 10 0 ACAEHO CO[C@H](N)C1CC[NH+](C)CC1 259466399 573475519 /nfs/dbraw/zinc/47/55/19/573475519.db2.gz OXWXCZWACKZDER-QMMMGPOBSA-N 1 3 158.245 0.259 10 0 ACAEHO F[C@H]1CNCCC12CC[NH2+]CC2 257820905 573475537 /nfs/dbraw/zinc/47/55/37/573475537.db2.gz FUHAGRDUONQACP-QMMMGPOBSA-N 1 3 172.247 0.688 10 0 ACAEHO CO[C@@H](N)C1CC[NH+](C)CC1 259466396 573479881 /nfs/dbraw/zinc/47/98/81/573479881.db2.gz OXWXCZWACKZDER-MRVPVSSYSA-N 1 3 158.245 0.259 10 0 ACAEHO C[C@@H](CN(C)C)NC1CC[NH2+]CC1 130142393 573486069 /nfs/dbraw/zinc/48/60/69/573486069.db2.gz KJZNTYHYGRDZAW-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H](CN)C[NH2+]CCc1ccc[nH]1 258675623 573486090 /nfs/dbraw/zinc/48/60/90/573486090.db2.gz DFOLBNWROJGGGC-SECBINFHSA-N 1 3 181.283 0.742 10 0 ACAEHO C[C@H](C[NH3+])CNCCc1ccc[nH]1 258675623 573486095 /nfs/dbraw/zinc/48/60/95/573486095.db2.gz DFOLBNWROJGGGC-SECBINFHSA-N 1 3 181.283 0.742 10 0 ACAEHO C[C@@]1(CCN)CCCC[NH2+]1 259106714 573486262 /nfs/dbraw/zinc/48/62/62/573486262.db2.gz FAPPSOSMPDRBIX-QMMMGPOBSA-N 1 3 142.246 0.867 10 0 ACAEHO C[C@@H](C[NH3+])CNCc1cc[nH]c1 258673810 573486350 /nfs/dbraw/zinc/48/63/50/573486350.db2.gz DAAGNVOVCKIMQR-QMMMGPOBSA-N 1 3 167.256 0.699 10 0 ACAEHO CC[C@@H](C)CN(CC)[C@@H](C[NH3+])CO 130150522 573486518 /nfs/dbraw/zinc/48/65/18/573486518.db2.gz CGEYNHZQIBUDPJ-ZJUUUORDSA-N 1 3 188.315 0.674 10 0 ACAEHO [NH3+][C@H]1CCNC[C@H]1CCF 259471521 573486636 /nfs/dbraw/zinc/48/66/36/573486636.db2.gz WQUYSFYTQLXEIM-RQJHMYQMSA-N 1 3 146.209 0.283 10 0 ACAEHO N[C@H]1CC[NH2+]C[C@H]1CCF 259471521 573486641 /nfs/dbraw/zinc/48/66/41/573486641.db2.gz WQUYSFYTQLXEIM-RQJHMYQMSA-N 1 3 146.209 0.283 10 0 ACAEHO CN1CC[C@H](N[C@@H]2C[NH2+]C(C)(C)C2)C1 258679751 573490772 /nfs/dbraw/zinc/49/07/72/573490772.db2.gz CSMKUSKBTQKPHU-UWVGGRQHSA-N 1 3 197.326 0.421 10 0 ACAEHO CC(C)[NH2+][C@H](C)C1CNC1 686245305 573490824 /nfs/dbraw/zinc/49/08/24/573490824.db2.gz RXLPACDFVWUQTD-SSDOTTSWSA-N 1 3 142.246 0.592 10 0 ACAEHO CCC[C@@H](C[C@H]1CN(C)CCN1)[NH2+]C 259474940 573491229 /nfs/dbraw/zinc/49/12/29/573491229.db2.gz QIISTAODKVVUIG-QWRGUYRKSA-N 1 3 199.342 0.668 10 0 ACAEHO NCc1ccnn1[C@H]1CCC[NH2+]C1 257820221 573490717 /nfs/dbraw/zinc/49/07/17/573490717.db2.gz FPEKCCATDWHPHF-VIFPVBQESA-N 1 3 180.255 0.266 10 0 ACAEHO CN1CC=C(C[NH+](C)C)CC1 258044284 573494258 /nfs/dbraw/zinc/49/42/58/573494258.db2.gz KVJNOAGVTFPDNL-UHFFFAOYSA-N 1 3 154.257 0.810 10 0 ACAEHO COC(C)(C)CN[C@@H](C)C1C[NH2+]C1 686245169 573494381 /nfs/dbraw/zinc/49/43/81/573494381.db2.gz RMWPEJOYXJSBHJ-QMMMGPOBSA-N 1 3 186.299 0.609 10 0 ACAEHO COC(C)(C)C[NH2+][C@@H](C)C1CNC1 686245169 573494386 /nfs/dbraw/zinc/49/43/86/573494386.db2.gz RMWPEJOYXJSBHJ-QMMMGPOBSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H]([NH3+])CCN(C)[C@H]1CCN(C)C1 258692470 573494562 /nfs/dbraw/zinc/49/45/62/573494562.db2.gz FYCPLFKEEVLGCK-UWVGGRQHSA-N 1 3 185.315 0.360 10 0 ACAEHO CN1CC[NH+]=C1NC[C@H]1CCCCN1 258042269 573494596 /nfs/dbraw/zinc/49/45/96/573494596.db2.gz JHKRDFWYHUKFQB-SECBINFHSA-N 1 3 196.298 0.020 10 0 ACAEHO CCN(CCCN(C)C)C1=[NH+]CCN1 308607487 573499687 /nfs/dbraw/zinc/49/96/87/573499687.db2.gz XCGBKKSIDAPBAN-UHFFFAOYSA-N 1 3 198.314 0.219 10 0 ACAEHO C[NH+](C)C[C@@H](CN)c1cccc(O)c1 258047526 573500115 /nfs/dbraw/zinc/50/01/15/573500115.db2.gz HKJZGEJLSQLHSA-SNVBAGLBSA-N 1 3 194.278 0.996 10 0 ACAEHO C[C@H]([NH+](C)C)C(C)(C)N 259110236 573500419 /nfs/dbraw/zinc/50/04/19/573500419.db2.gz FHBDSHVVOHFBPI-LURJTMIESA-N 1 3 130.235 0.674 10 0 ACAEHO C[C@H](N)c1cncn1C[C@H](C)[NH+](C)C 130248046 573500620 /nfs/dbraw/zinc/50/06/20/573500620.db2.gz AQXBZESWXRXMPH-IUCAKERBSA-N 1 3 196.298 0.853 10 0 ACAEHO CC[C@@H](CN)C[NH2+]C[C@H](CC)OC 308398865 573500702 /nfs/dbraw/zinc/50/07/02/573500702.db2.gz GXZHHXBXHPSFCN-UWVGGRQHSA-N 1 3 188.315 0.986 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@H]1NCCOC1CC1 714960335 573500710 /nfs/dbraw/zinc/50/07/10/573500710.db2.gz JXUYFKPXAWVLTC-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO NC[C@H]1CCC[C@H]1[NH2+]CCOC1CC1 714960335 573500716 /nfs/dbraw/zinc/50/07/16/573500716.db2.gz JXUYFKPXAWVLTC-MWLCHTKSSA-N 1 3 198.310 0.882 10 0 ACAEHO CC[C@@H](C[NH3+])CNC[C@H](CC)OC 308398865 573500721 /nfs/dbraw/zinc/50/07/21/573500721.db2.gz GXZHHXBXHPSFCN-UWVGGRQHSA-N 1 3 188.315 0.986 10 0 ACAEHO C1CN=C(NCC[C@H]2CC[NH2+]C2)OC1 258044743 573500831 /nfs/dbraw/zinc/50/08/31/573500831.db2.gz JMNREECYLDGSAB-SECBINFHSA-N 1 3 197.282 0.352 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOC1CC1 714960339 573500841 /nfs/dbraw/zinc/50/08/41/573500841.db2.gz JXUYFKPXAWVLTC-ONGXEEELSA-N 1 3 198.310 0.882 10 0 ACAEHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOC1CC1 714960339 573500845 /nfs/dbraw/zinc/50/08/45/573500845.db2.gz JXUYFKPXAWVLTC-ONGXEEELSA-N 1 3 198.310 0.882 10 0 ACAEHO C1CN=C(NCC[C@@H]2CC[NH2+]C2)OC1 258044746 573501161 /nfs/dbraw/zinc/50/11/61/573501161.db2.gz JMNREECYLDGSAB-VIFPVBQESA-N 1 3 197.282 0.352 10 0 ACAEHO CC[C@H]([NH2+]C)[C@H]1CCCNC1 259486406 573519497 /nfs/dbraw/zinc/51/94/97/573519497.db2.gz QYHBOFQNLRFAMA-IUCAKERBSA-N 1 3 156.273 0.984 10 0 ACAEHO CN[C@@]1(CO)CCC[C@H]([NH+](C)C)C1 86617069 573519526 /nfs/dbraw/zinc/51/95/26/573519526.db2.gz LRRIWAUJAHLAJS-UWVGGRQHSA-N 1 3 186.299 0.441 10 0 ACAEHO NCCC[NH2+]CCc1ccc[nH]1 258740023 573519630 /nfs/dbraw/zinc/51/96/30/573519630.db2.gz KWWOILJGOZBGGN-UHFFFAOYSA-N 1 3 167.256 0.496 10 0 ACAEHO [NH3+]CCCNCCc1ccc[nH]1 258740023 573519635 /nfs/dbraw/zinc/51/96/35/573519635.db2.gz KWWOILJGOZBGGN-UHFFFAOYSA-N 1 3 167.256 0.496 10 0 ACAEHO C[C@@H](N[C@@H]1C[C@H]1C)C1C[NH2+]C1 686245917 573519686 /nfs/dbraw/zinc/51/96/86/573519686.db2.gz RBHRRFWTIFOCRW-ZXFLCMHBSA-N 1 3 154.257 0.592 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1C[C@H]1C)C1CNC1 686245917 573519688 /nfs/dbraw/zinc/51/96/88/573519688.db2.gz RBHRRFWTIFOCRW-ZXFLCMHBSA-N 1 3 154.257 0.592 10 0 ACAEHO [NH3+]CCNCCc1cc[nH]c1 258736551 573519718 /nfs/dbraw/zinc/51/97/18/573519718.db2.gz KOEGEBBXSBRGFJ-UHFFFAOYSA-N 1 3 153.229 0.106 10 0 ACAEHO CN[C@@]1(CO)CC[C@@H]([NH+]2CCCC2)C1 86632227 573531970 /nfs/dbraw/zinc/53/19/70/573531970.db2.gz LEDYTZJHOUMDMK-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[NH2+][C@@]1(CO)CC[C@@H](N2CCCC2)C1 86632227 573531976 /nfs/dbraw/zinc/53/19/76/573531976.db2.gz LEDYTZJHOUMDMK-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO CC[C@H](C)[n+]1cc(C(C)(C)N)[nH]n1 642817004 573532063 /nfs/dbraw/zinc/53/20/63/573532063.db2.gz DGSIBCGIUUKFHL-ZETCQYMHSA-N 1 3 183.279 0.111 10 0 ACAEHO CC[C@H](CN)[C@H]([NH3+])C1CCOCC1 259490432 573532158 /nfs/dbraw/zinc/53/21/58/573532158.db2.gz QEGKQCUNYULVSJ-SCZZXKLOSA-N 1 3 186.299 0.725 10 0 ACAEHO N[C@@]1(CO)CC[C@@H]([NH+]2CCCCC2)C1 86632006 573532379 /nfs/dbraw/zinc/53/23/79/573532379.db2.gz PSNTUHCZJBQOQV-MNOVXSKESA-N 1 3 198.310 0.715 10 0 ACAEHO [NH3+][C@@]1(CO)CC[C@@H](N2CCCCC2)C1 86632006 573532383 /nfs/dbraw/zinc/53/23/83/573532383.db2.gz PSNTUHCZJBQOQV-MNOVXSKESA-N 1 3 198.310 0.715 10 0 ACAEHO CN[C@H](C[NH2+]C)C1CCCC1 259489275 573532462 /nfs/dbraw/zinc/53/24/62/573532462.db2.gz QDHUAEGGDHKUQC-SECBINFHSA-N 1 3 156.273 0.984 10 0 ACAEHO CC(C)C[C@H]([NH3+])C1(CN)COC1 259490473 573532507 /nfs/dbraw/zinc/53/25/07/573532507.db2.gz QEUIMJISUKDQLN-QMMMGPOBSA-N 1 3 172.272 0.335 10 0 ACAEHO CC(C)[C@@H](CO)CNC1CC([NH3+])C1 394099752 573536725 /nfs/dbraw/zinc/53/67/25/573536725.db2.gz YYTKHSDLSNJTPQ-XNWIYYODSA-N 1 3 186.299 0.330 10 0 ACAEHO CC(C)[C@@H](CO)C[NH2+]C1CC(N)C1 394099752 573536730 /nfs/dbraw/zinc/53/67/30/573536730.db2.gz YYTKHSDLSNJTPQ-XNWIYYODSA-N 1 3 186.299 0.330 10 0 ACAEHO COC[C@@H](C)C[NH2+][C@H](C)C1CNC1 686246563 573536819 /nfs/dbraw/zinc/53/68/19/573536819.db2.gz UHTNEKPCHOIDLS-DTWKUNHWSA-N 1 3 186.299 0.466 10 0 ACAEHO CCOC[C@H](C)N[C@H](C)C1C[NH2+]C1 686246557 573537958 /nfs/dbraw/zinc/53/79/58/573537958.db2.gz UGFMPTOMLBUNPI-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO CCOC[C@H](C)[NH2+][C@H](C)C1CNC1 686246557 573537962 /nfs/dbraw/zinc/53/79/62/573537962.db2.gz UGFMPTOMLBUNPI-DTWKUNHWSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H](CN(C)C)N[C@H]1CCC[NH2+]C1 130310255 573538201 /nfs/dbraw/zinc/53/82/01/573538201.db2.gz QWPQIPDKCZBRKD-ZJUUUORDSA-N 1 3 185.315 0.278 10 0 ACAEHO CC[C@@H](CN[C@H](C)C1C[NH2+]C1)OC 686246575 573546301 /nfs/dbraw/zinc/54/63/01/573546301.db2.gz URMNGLHXZLZXFA-SCZZXKLOSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[C@@H](C[NH2+][C@H](C)C1CNC1)OC 686246575 573546307 /nfs/dbraw/zinc/54/63/07/573546307.db2.gz URMNGLHXZLZXFA-SCZZXKLOSA-N 1 3 186.299 0.609 10 0 ACAEHO CC[NH2+]CCN[C@@H]1CCCN(C)C1 258768021 573546390 /nfs/dbraw/zinc/54/63/90/573546390.db2.gz ANQZWHIHVMEXFN-SNVBAGLBSA-N 1 3 185.315 0.280 10 0 ACAEHO CNC[C@@H](F)C[C@H]1CCC[NH2+]C1 257825022 573546528 /nfs/dbraw/zinc/54/65/28/573546528.db2.gz GXWVASXCOZPUIM-BDAKNGLRSA-N 1 3 174.263 0.934 10 0 ACAEHO CN[C@@H](C)c1cnn(C2C[NH2+]C2)c1 257825037 573546736 /nfs/dbraw/zinc/54/67/36/573546736.db2.gz GYKHTJRGVLLXAT-ZETCQYMHSA-N 1 3 180.255 0.308 10 0 ACAEHO C[C@@]12CCC[N@@H+]1CC[C@@H]2CN 238435974 573546759 /nfs/dbraw/zinc/54/67/59/573546759.db2.gz KHZWMOVINUNPPU-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@@]12CCC[N@H+]1CC[C@@H]2CN 238435974 573546765 /nfs/dbraw/zinc/54/67/65/573546765.db2.gz KHZWMOVINUNPPU-BDAKNGLRSA-N 1 3 154.257 0.820 10 0 ACAEHO CN1CC[NH2+][C@H]([C@H](N)C2CCCC2)C1 259504092 573550225 /nfs/dbraw/zinc/55/02/25/573550225.db2.gz RCDOJYCXHQSCEF-WDEREUQCSA-N 1 3 197.326 0.408 10 0 ACAEHO C[N@@H+]1CCC[C@@H](NC/C=C\CO)CC1 717479036 573550245 /nfs/dbraw/zinc/55/02/45/573550245.db2.gz SCDCLYXLZNQXTI-OTDNITJGSA-N 1 3 198.310 0.609 10 0 ACAEHO C[N@H+]1CCC[C@@H](NC/C=C\CO)CC1 717479036 573550249 /nfs/dbraw/zinc/55/02/49/573550249.db2.gz SCDCLYXLZNQXTI-OTDNITJGSA-N 1 3 198.310 0.609 10 0 ACAEHO CN1CCC[C@@H]([NH2+]C/C=C\CO)CC1 717479036 573550254 /nfs/dbraw/zinc/55/02/54/573550254.db2.gz SCDCLYXLZNQXTI-OTDNITJGSA-N 1 3 198.310 0.609 10 0 ACAEHO [NH3+][C@H]1CNCC[C@@H]1CCF 259505595 573549602 /nfs/dbraw/zinc/54/96/02/573549602.db2.gz ZCAKKSVIWVNJQG-BQBZGAKWSA-N 1 3 146.209 0.283 10 0 ACAEHO CC[N@H+](C)CCO[C@H](C)C(=N)NO 393534150 573549806 /nfs/dbraw/zinc/54/98/06/573549806.db2.gz FZFXNFQZWGHIRR-SSDOTTSWSA-N 1 3 189.259 0.299 10 0 ACAEHO CC[N@@H+](C)CCO[C@H](C)C(=N)NO 393534150 573549809 /nfs/dbraw/zinc/54/98/09/573549809.db2.gz FZFXNFQZWGHIRR-SSDOTTSWSA-N 1 3 189.259 0.299 10 0 ACAEHO C[N@@H+]1CCC[C@H](NC/C=C/CO)CC1 717479040 573549863 /nfs/dbraw/zinc/54/98/63/573549863.db2.gz SCDCLYXLZNQXTI-VUDBWIFFSA-N 1 3 198.310 0.609 10 0 ACAEHO C[N@H+]1CCC[C@H](NC/C=C/CO)CC1 717479040 573549866 /nfs/dbraw/zinc/54/98/66/573549866.db2.gz SCDCLYXLZNQXTI-VUDBWIFFSA-N 1 3 198.310 0.609 10 0 ACAEHO CC1CN(CCC[NH3+])C1 86663362 573549870 /nfs/dbraw/zinc/54/98/70/573549870.db2.gz FAHSJAKKPMYSCJ-UHFFFAOYSA-N 1 3 128.219 0.287 10 0 ACAEHO CN1CCC[C@H]([NH2+]C/C=C/CO)CC1 717479040 573549872 /nfs/dbraw/zinc/54/98/72/573549872.db2.gz SCDCLYXLZNQXTI-VUDBWIFFSA-N 1 3 198.310 0.609 10 0 ACAEHO C[N@@H+]1CCCC[C@@H]1CC[C@H](N)C(N)=O 215264425 573550105 /nfs/dbraw/zinc/55/01/05/573550105.db2.gz RAKWBWXLZHPNDM-BDAKNGLRSA-N 1 3 199.298 0.064 10 0 ACAEHO C[N@H+]1CCCC[C@@H]1CC[C@H](N)C(N)=O 215264425 573550107 /nfs/dbraw/zinc/55/01/07/573550107.db2.gz RAKWBWXLZHPNDM-BDAKNGLRSA-N 1 3 199.298 0.064 10 0 ACAEHO C[C@H]([NH2+]C[C@H]1CCOC1)C1CNC1 686247179 573550149 /nfs/dbraw/zinc/55/01/49/573550149.db2.gz WTAICCMTYUYBAJ-DTWKUNHWSA-N 1 3 184.283 0.220 10 0 ACAEHO COC[C@@H]1C[C@@H]([C@@H]2CCCCN2)C[NH2+]1 258061313 573554727 /nfs/dbraw/zinc/55/47/27/573554727.db2.gz DVIUFEHMGIUXHJ-VWYCJHECSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H](NCCCF)C1C[NH2+]C1 686247068 573554748 /nfs/dbraw/zinc/55/47/48/573554748.db2.gz TWHINCRHUUIRHQ-SSDOTTSWSA-N 1 3 160.236 0.544 10 0 ACAEHO C[C@@H]([NH2+]CCCF)C1CNC1 686247068 573554753 /nfs/dbraw/zinc/55/47/53/573554753.db2.gz TWHINCRHUUIRHQ-SSDOTTSWSA-N 1 3 160.236 0.544 10 0 ACAEHO C[C@@H]([NH2+]C[C@H]1CCOC1)C1CNC1 686247183 573554867 /nfs/dbraw/zinc/55/48/67/573554867.db2.gz WTAICCMTYUYBAJ-RKDXNWHRSA-N 1 3 184.283 0.220 10 0 ACAEHO C[C@@H]1CCN1C1CC([NH3+])C1 86662780 573554887 /nfs/dbraw/zinc/55/48/87/573554887.db2.gz TZQCOJKQWSWEBA-JECWYVHBSA-N 1 3 140.230 0.570 10 0 ACAEHO COCCC[NH2+]CC1(CN)CC1 258771335 573554947 /nfs/dbraw/zinc/55/49/47/573554947.db2.gz YVDVRJZVZQDEKI-UHFFFAOYSA-N 1 3 172.272 0.351 10 0 ACAEHO COCC[C@H](CN)C[NH2+]C1CCC1 258060780 573554959 /nfs/dbraw/zinc/55/49/59/573554959.db2.gz ICMVKLREBZHBBO-SECBINFHSA-N 1 3 186.299 0.740 10 0 ACAEHO C[C@H](C[NH3+])[C@@H](N)c1cc[nH]c1 259507358 573554998 /nfs/dbraw/zinc/55/49/98/573554998.db2.gz UWPGMVJKDAWPDT-HTRCEHHLSA-N 1 3 153.229 0.609 10 0 ACAEHO COC[C@@H]1C[C@H]([C@@H]2CCCCN2)C[NH2+]1 258061303 573555164 /nfs/dbraw/zinc/55/51/64/573555164.db2.gz DVIUFEHMGIUXHJ-DCAQKATOSA-N 1 3 198.310 0.753 10 0 ACAEHO C[NH2+][C@H](C[C@H]1CNCCO1)C1CCC1 259614246 573560247 /nfs/dbraw/zinc/56/02/47/573560247.db2.gz YOMGCRMFSJFDIE-WDEREUQCSA-N 1 3 198.310 0.753 10 0 ACAEHO C[NH2+][C@@H](C[C@@H]1CNCCO1)C1CCC1 259614244 573560632 /nfs/dbraw/zinc/56/06/32/573560632.db2.gz YOMGCRMFSJFDIE-MNOVXSKESA-N 1 3 198.310 0.753 10 0 ACAEHO CN1CC[C@@H]([NH3+])C2(CCC2)C1 107398837 573565346 /nfs/dbraw/zinc/56/53/46/573565346.db2.gz SZUHNMMGMOCPJV-MRVPVSSYSA-N 1 3 154.257 0.820 10 0 ACAEHO C[C@H](N)[C@@H]1CC[N@@H+]2CCC[C@H]12 107398783 573565493 /nfs/dbraw/zinc/56/54/93/573565493.db2.gz KVYQPBNYOPCUSG-XHNCKOQMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[C@H](N)[C@@H]1CC[N@H+]2CCC[C@H]12 107398783 573565499 /nfs/dbraw/zinc/56/54/99/573565499.db2.gz KVYQPBNYOPCUSG-XHNCKOQMSA-N 1 3 154.257 0.818 10 0 ACAEHO C[NH2+]C1CCC(N2CCOCC2)CC1 86680539 573565570 /nfs/dbraw/zinc/56/55/70/573565570.db2.gz PCBGOULTSGTMDC-UHFFFAOYSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H](C[NH3+])CN1CC(C)(C)C1 86682108 573565684 /nfs/dbraw/zinc/56/56/84/573565684.db2.gz FNZBLSFVINTLFY-QMMMGPOBSA-N 1 3 156.273 0.923 10 0 ACAEHO CN1CC[C@@H](C[NH2+]CC(C)(C)CN)C1 258778159 573568357 /nfs/dbraw/zinc/56/83/57/573568357.db2.gz OWLXGABGJOIWGG-JTQLQIEISA-N 1 3 199.342 0.513 10 0 ACAEHO C[C@@H]([NH3+])CCNCCc1cc[nH]c1 258779372 573568411 /nfs/dbraw/zinc/56/84/11/573568411.db2.gz OXOVDOJVVQESMR-SECBINFHSA-N 1 3 181.283 0.884 10 0 ACAEHO C[C@@H](N)CC[NH2+]CCc1cc[nH]c1 258779372 573568419 /nfs/dbraw/zinc/56/84/19/573568419.db2.gz OXOVDOJVVQESMR-SECBINFHSA-N 1 3 181.283 0.884 10 0 ACAEHO CC1CN(C[C@H](C)C[NH3+])C1 86682123 573568667 /nfs/dbraw/zinc/56/86/67/573568667.db2.gz UMXKXUDLRDKUEI-SSDOTTSWSA-N 1 3 142.246 0.533 10 0 ACAEHO C[C@H](C[NH3+])CN1CC2(CCOCC2)C1 86682141 573568742 /nfs/dbraw/zinc/56/87/42/573568742.db2.gz OXLJHKOIMQHONL-SNVBAGLBSA-N 1 3 198.310 0.694 10 0 ACAEHO C[C@H](CC[NH3+])N1CC2(CCOCC2)C1 86681932 573568774 /nfs/dbraw/zinc/56/87/74/573568774.db2.gz UUOHMCYRQAXSFD-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CC[C@@H](NC)C(C)(C)[NH2+]C 259515255 573570106 /nfs/dbraw/zinc/57/01/06/573570106.db2.gz TTZTUEZNZSDRFG-SSDOTTSWSA-N 1 3 144.262 0.982 10 0 ACAEHO C1C[C@@H]2C[C@]3(CC[NH2+]C3)CN2C1 107403178 573573319 /nfs/dbraw/zinc/57/33/19/573573319.db2.gz NRODXTDYNISAED-ZJUUUORDSA-N 1 3 166.268 0.834 10 0 ACAEHO C[C@H](CN)C[NH2+]CC1CCOCC1 258783465 573573321 /nfs/dbraw/zinc/57/33/21/573573321.db2.gz PHFJZTDXEDXBHR-SECBINFHSA-N 1 3 186.299 0.597 10 0 ACAEHO CN1CCC(c2c[nH]c(N)[nH+]2)CC1 259113330 573573377 /nfs/dbraw/zinc/57/33/77/573573377.db2.gz PHBZITUHFRPOKT-UHFFFAOYSA-N 1 3 180.255 0.801 10 0 ACAEHO N[C@H](C1CCOCC1)C1([NH3+])CC1 259514206 573573410 /nfs/dbraw/zinc/57/34/10/573573410.db2.gz RUXWCOCNPLWRPZ-MRVPVSSYSA-N 1 3 170.256 0.232 10 0 ACAEHO CN1CCC([C@H](CO)[NH+](C)C)CC1 259113758 573573590 /nfs/dbraw/zinc/57/35/90/573573590.db2.gz RGVKJHSERGCHCQ-JTQLQIEISA-N 1 3 186.299 0.251 10 0 ACAEHO C[N@@H+]1CCC[C@H]1[C@@H](CN)N1CCCC1 214913192 573577064 /nfs/dbraw/zinc/57/70/64/573577064.db2.gz MASBQKZVQSZHNX-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO C[N@H+]1CCC[C@H]1[C@@H](CN)N1CCCC1 214913192 573577069 /nfs/dbraw/zinc/57/70/69/573577069.db2.gz MASBQKZVQSZHNX-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO CN1CCC[C@H]1[C@@H](CN)[NH+]1CCCC1 214913192 573577074 /nfs/dbraw/zinc/57/70/74/573577074.db2.gz MASBQKZVQSZHNX-WDEREUQCSA-N 1 3 197.326 0.504 10 0 ACAEHO COC[C@H](C)CN(C)CC[C@@H](C)[NH3+] 308401677 573577250 /nfs/dbraw/zinc/57/72/50/573577250.db2.gz IWAPXDJPFVMZNC-NXEZZACHSA-N 1 3 188.315 0.938 10 0 ACAEHO CN1CC(CC2CC[NH2+]CC2)C1 107404356 573577447 /nfs/dbraw/zinc/57/74/47/573577447.db2.gz PZISVRSFSCCFPD-UHFFFAOYSA-N 1 3 168.284 0.938 10 0 ACAEHO COCCCNCC[C@H]1CCC[NH2+]1 258796271 573577455 /nfs/dbraw/zinc/57/74/55/573577455.db2.gz SCJPPUDAKWGXMH-SNVBAGLBSA-N 1 3 186.299 0.755 10 0 ACAEHO CC[C@@H](CNC[C@H](C)C[NH2+]C)OC 308403377 573584422 /nfs/dbraw/zinc/58/44/22/573584422.db2.gz KBJBHRCLDQJATP-ZJUUUORDSA-N 1 3 188.315 0.857 10 0 ACAEHO [NH3+][C@@H](C[C@H]1CNCCO1)C1CCCC1 259518054 573583756 /nfs/dbraw/zinc/58/37/56/573583756.db2.gz SACMZOMKXFSOAT-QWRGUYRKSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H]1CO[C@](C)([C@H]2CCN(C)C2)[NH2+]1 258799227 573583854 /nfs/dbraw/zinc/58/38/54/573583854.db2.gz XZUMQWDCJUDSFA-KXUCPTDWSA-N 1 3 184.283 0.663 10 0 ACAEHO C[C@@H]([NH3+])CCNCc1cc[nH]c1 258806965 573583872 /nfs/dbraw/zinc/58/38/72/573583872.db2.gz RYQMBFOVEITIHT-MRVPVSSYSA-N 1 3 167.256 0.842 10 0 ACAEHO CN1CC[C@H](NCCC(C)(C)[NH3+])C1 258796597 573584069 /nfs/dbraw/zinc/58/40/69/573584069.db2.gz QTJOJXGOEKTPGX-VIFPVBQESA-N 1 3 185.315 0.408 10 0 ACAEHO C[C@@H]1CO[C@@](C)([C@@H]2CCN(C)C2)[NH2+]1 258799226 573584185 /nfs/dbraw/zinc/58/41/85/573584185.db2.gz XZUMQWDCJUDSFA-BBBLOLIVSA-N 1 3 184.283 0.663 10 0 ACAEHO C[NH+]1CCC(C[C@H]2COCCN2)CC1 259114372 573584200 /nfs/dbraw/zinc/58/42/00/573584200.db2.gz LCHPITUUXIFQGR-NSHDSACASA-N 1 3 198.310 0.707 10 0 ACAEHO [NH3+][C@H](C[C@H]1CNCCO1)C1CCCC1 259518057 573586173 /nfs/dbraw/zinc/58/61/73/573586173.db2.gz SACMZOMKXFSOAT-WDEREUQCSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H](CCC[NH3+])NCc1cccnn1 308638315 573586307 /nfs/dbraw/zinc/58/63/07/573586307.db2.gz BXOIMJRMOIBQFM-VIFPVBQESA-N 1 3 194.282 0.694 10 0 ACAEHO C[C@@H](CN)C[NH2+]CCc1cc[nH]c1 258799883 573586381 /nfs/dbraw/zinc/58/63/81/573586381.db2.gz RDEGPWIZYCYBIZ-VIFPVBQESA-N 1 3 181.283 0.742 10 0 ACAEHO [NH3+][C@@H](C[C@@H]1CNCCO1)C1CCCC1 259518053 573586445 /nfs/dbraw/zinc/58/64/45/573586445.db2.gz SACMZOMKXFSOAT-MNOVXSKESA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@]([NH3+])(CO)c1ccc(CN)c(F)c1 238441758 573586480 /nfs/dbraw/zinc/58/64/80/573586480.db2.gz IIPWESOCQYIOIF-SNVBAGLBSA-N 1 3 198.241 0.451 10 0 ACAEHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCN(C)C1 258803320 573587419 /nfs/dbraw/zinc/58/74/19/573587419.db2.gz RPPAMHWDVZIYKS-VHSXEESVSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[C@@H](CN)[C@H](C)[NH3+] 259516644 573587523 /nfs/dbraw/zinc/58/75/23/573587523.db2.gz RXGMHHCBFXJQDV-WDSKDSINSA-N 1 3 116.208 0.319 10 0 ACAEHO NC[C@@]1(O)CCC[N@@H+]2CCCC[C@H]21 107416976 573587586 /nfs/dbraw/zinc/58/75/86/573587586.db2.gz XCVUGMFHMYDVKV-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@@]1(O)CCC[N@H+]2CCCC[C@H]21 107416976 573587590 /nfs/dbraw/zinc/58/75/90/573587590.db2.gz XCVUGMFHMYDVKV-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+]C[C@@]1(O)CCCN2CCCC[C@H]21 107416976 573587596 /nfs/dbraw/zinc/58/75/96/573587596.db2.gz XCVUGMFHMYDVKV-UWVGGRQHSA-N 1 3 184.283 0.325 10 0 ACAEHO CN(C)CCNCCC(C)(C)[NH3+] 258807307 573587785 /nfs/dbraw/zinc/58/77/85/573587785.db2.gz TYDARQALGJVKHF-UHFFFAOYSA-N 1 3 173.304 0.265 10 0 ACAEHO CC(C)(CN1CCCCC1)[NH2+]CCN 308641330 573587861 /nfs/dbraw/zinc/58/78/61/573587861.db2.gz HZUISKITMOBYQL-UHFFFAOYSA-N 1 3 199.342 0.799 10 0 ACAEHO C[C@@H]([NH2+][C@H](C)C1CNC1)C1CC1 686243438 573590446 /nfs/dbraw/zinc/59/04/46/573590446.db2.gz NTYAJWXBMNSTQW-HTQZYQBOSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@H]2CC[N@H+](C)C2)OC1 258788533 573590480 /nfs/dbraw/zinc/59/04/80/573590480.db2.gz XKYIBXJEOMEIIU-GMTAPVOTSA-N 1 3 198.310 0.910 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@H]2CC[N@@H+](C)C2)OC1 258788533 573590485 /nfs/dbraw/zinc/59/04/85/573590485.db2.gz XKYIBXJEOMEIIU-GMTAPVOTSA-N 1 3 198.310 0.910 10 0 ACAEHO CC[C@@H](C[NH2+]C)C(=O)[C@@H]1CCN(C)C1 259117111 573590640 /nfs/dbraw/zinc/59/06/40/573590640.db2.gz LIFLIRRRSYRJBL-VHSXEESVSA-N 1 3 198.310 0.753 10 0 ACAEHO C[NH2+]C(C)(C)C(=O)[C@@H]1CCN(C)C1 259117347 573590726 /nfs/dbraw/zinc/59/07/26/573590726.db2.gz IMRMSNQBZARXKN-MRVPVSSYSA-N 1 3 184.283 0.505 10 0 ACAEHO CCC[C@H]([NH3+])C[C@H]1CN(C)CCN1 259117449 573590756 /nfs/dbraw/zinc/59/07/56/573590756.db2.gz AHZBMZDZKBSETL-UWVGGRQHSA-N 1 3 185.315 0.408 10 0 ACAEHO CC[C@H](C[NH2+]C)C(=O)[C@@H]1CCN(C)C1 259117106 573590811 /nfs/dbraw/zinc/59/08/11/573590811.db2.gz LIFLIRRRSYRJBL-NXEZZACHSA-N 1 3 198.310 0.753 10 0 ACAEHO CN(CN)CC1CC[NH+](C)CC1 258812819 573592135 /nfs/dbraw/zinc/59/21/35/573592135.db2.gz FMUXLCNTDJJHMK-UHFFFAOYSA-N 1 3 171.288 0.176 10 0 ACAEHO C[C@H]([NH2+][C@H](C)C1CNC1)C1CC1 686243439 573592238 /nfs/dbraw/zinc/59/22/38/573592238.db2.gz NTYAJWXBMNSTQW-JGVFFNPUSA-N 1 3 168.284 0.982 10 0 ACAEHO C[NH2+]CC(C)(C)NC1CCN(C)CC1 258788551 573592340 /nfs/dbraw/zinc/59/23/40/573592340.db2.gz IZRDDBHULGQNMA-UHFFFAOYSA-N 1 3 199.342 0.668 10 0 ACAEHO C1CC(C[NH2+]CC2CNC2)C1 258787981 573592772 /nfs/dbraw/zinc/59/27/72/573592772.db2.gz BXRGTRCDMGRXJR-UHFFFAOYSA-N 1 3 154.257 0.596 10 0 ACAEHO C1CCN(CCN[C@@H]2CC[NH2+]C2)C1 86725249 573592804 /nfs/dbraw/zinc/59/28/04/573592804.db2.gz YFFIVFYQWNFGDY-SNVBAGLBSA-N 1 3 183.299 0.034 10 0 ACAEHO CC[C@@H](C[C@@H]1CNCCO1)[NH2+]C 259136564 573594090 /nfs/dbraw/zinc/59/40/90/573594090.db2.gz BVRYGDUVEBBLBZ-DTWKUNHWSA-N 1 3 172.272 0.363 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@@H]2CC[N@H+](C)C2)OC1 258788537 573594156 /nfs/dbraw/zinc/59/41/56/573594156.db2.gz XKYIBXJEOMEIIU-OUAUKWLOSA-N 1 3 198.310 0.910 10 0 ACAEHO C[C@@H]1CN[C@@H](C[C@@H]2CC[N@@H+](C)C2)OC1 258788537 573594162 /nfs/dbraw/zinc/59/41/62/573594162.db2.gz XKYIBXJEOMEIIU-OUAUKWLOSA-N 1 3 198.310 0.910 10 0 ACAEHO C1C[C@@H]([NH2+]CC2CCOCC2)CN1 86730128 573594402 /nfs/dbraw/zinc/59/44/02/573594402.db2.gz QDXWPQGRBSZBIO-SNVBAGLBSA-N 1 3 184.283 0.365 10 0 ACAEHO CC[C@H](C[C@@H]1CNCCO1)[NH2+]C 259136571 573594452 /nfs/dbraw/zinc/59/44/52/573594452.db2.gz BVRYGDUVEBBLBZ-RKDXNWHRSA-N 1 3 172.272 0.363 10 0 ACAEHO C[C@@H](O)[C@H]([NH3+])c1ccc(CN)c(F)c1 238455866 573594484 /nfs/dbraw/zinc/59/44/84/573594484.db2.gz DWVSCYWGQNJFKI-LDWIPMOCSA-N 1 3 198.241 0.665 10 0 ACAEHO C[C@H](N)C[C@@H]1CCCC[NH2+]1 78724405 573594521 /nfs/dbraw/zinc/59/45/21/573594521.db2.gz BVFDJJDYLNAQTD-YUMQZZPRSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H]([NH3+])C[C@@H]1CCCCN1 78724405 573594524 /nfs/dbraw/zinc/59/45/24/573594524.db2.gz BVFDJJDYLNAQTD-YUMQZZPRSA-N 1 3 142.246 0.866 10 0 ACAEHO C[C@H](N)C[C@H]1CCC[NH2+]1 78724550 573594565 /nfs/dbraw/zinc/59/45/65/573594565.db2.gz TTWYCDFAIOAKQY-NKWVEPMBSA-N 1 3 128.219 0.476 10 0 ACAEHO C[C@@H](N)C[C@H]1CCC[NH2+]1 78724552 573594589 /nfs/dbraw/zinc/59/45/89/573594589.db2.gz TTWYCDFAIOAKQY-RNFRBKRXSA-N 1 3 128.219 0.476 10 0 ACAEHO CN(C)CCN1CCC(C)(C)[C@H]([NH3+])C1 259134446 573594671 /nfs/dbraw/zinc/59/46/71/573594671.db2.gz DEFAWOJIYXJEQL-SNVBAGLBSA-N 1 3 199.342 0.607 10 0 ACAEHO C[NH+]1CCC([C@H](F)C(=N)N)CC1 259523352 573598073 /nfs/dbraw/zinc/59/80/73/573598073.db2.gz ALKQDCSMGWVSJD-ZETCQYMHSA-N 1 3 173.235 0.602 10 0 ACAEHO CN1CC[C@@H]([C@H]([NH3+])C2(CO)CC2)C1 259524581 573598149 /nfs/dbraw/zinc/59/81/49/573598149.db2.gz SKSYLVLNVYHOGB-BDAKNGLRSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@@H+]1CC[C@@H]([C@H](N)C2(CO)CC2)C1 259524581 573598155 /nfs/dbraw/zinc/59/81/55/573598155.db2.gz SKSYLVLNVYHOGB-BDAKNGLRSA-N 1 3 184.283 0.038 10 0 ACAEHO C[N@H+]1CC[C@@H]([C@H](N)C2(CO)CC2)C1 259524581 573598158 /nfs/dbraw/zinc/59/81/58/573598158.db2.gz SKSYLVLNVYHOGB-BDAKNGLRSA-N 1 3 184.283 0.038 10 0 ACAEHO NC[C@@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 83700345 573598257 /nfs/dbraw/zinc/59/82/57/573598257.db2.gz RQVJLWXZGHRNND-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO NC[C@@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 83700345 573598261 /nfs/dbraw/zinc/59/82/61/573598261.db2.gz RQVJLWXZGHRNND-HBNTYKKESA-N 1 3 198.310 0.571 10 0 ACAEHO COCCCNC[C@H]1CC[NH2+]C1 258816609 573598343 /nfs/dbraw/zinc/59/83/43/573598343.db2.gz UTYBQWCXLLHQML-SECBINFHSA-N 1 3 172.272 0.222 10 0 ACAEHO COCCCNC[C@@H]1CC[NH2+]C1 258816612 573598718 /nfs/dbraw/zinc/59/87/18/573598718.db2.gz UTYBQWCXLLHQML-VIFPVBQESA-N 1 3 172.272 0.222 10 0 ACAEHO Cc1nc(CC[NH3+])c(C)[nH]1 75527219 573598762 /nfs/dbraw/zinc/59/87/62/573598762.db2.gz TVNRFDZZEWHHOY-UHFFFAOYSA-N 1 3 139.202 0.528 10 0 ACAEHO [NH3+]CCCc1nc([C@H]2CCCN2)co1 257836783 573601895 /nfs/dbraw/zinc/60/18/95/573601895.db2.gz AOCVMJDKBOAVJW-MRVPVSSYSA-N 1 3 195.266 0.990 10 0 ACAEHO CC(C)O[C@@]1(C[NH3+])CCCNC1 259525649 573602018 /nfs/dbraw/zinc/60/20/18/573602018.db2.gz ASUGGBLEMKKNLH-SECBINFHSA-N 1 3 172.272 0.492 10 0 ACAEHO NC[C@@]1(O)CCC[N@@H+](C2CCC2)C1 259525522 573602401 /nfs/dbraw/zinc/60/24/01/573602401.db2.gz ARPJHSHGXUZJEY-JTQLQIEISA-N 1 3 184.283 0.325 10 0 ACAEHO NC[C@@]1(O)CCC[N@H+](C2CCC2)C1 259525522 573602406 /nfs/dbraw/zinc/60/24/06/573602406.db2.gz ARPJHSHGXUZJEY-JTQLQIEISA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+]C[C@@]1(O)CCCN(C2CCC2)C1 259525522 573602412 /nfs/dbraw/zinc/60/24/12/573602412.db2.gz ARPJHSHGXUZJEY-JTQLQIEISA-N 1 3 184.283 0.325 10 0 ACAEHO [NH3+]CCCc1nc([C@@H]2CCCN2)co1 257836785 573602423 /nfs/dbraw/zinc/60/24/23/573602423.db2.gz AOCVMJDKBOAVJW-QMMMGPOBSA-N 1 3 195.266 0.990 10 0 ACAEHO C[C@]1(O)CCN(C[C@H]2CC[NH2+]C2)C1 259527791 573602658 /nfs/dbraw/zinc/60/26/58/573602658.db2.gz AWGCXWYYADVGNN-UWVGGRQHSA-N 1 3 184.283 0.053 10 0 ACAEHO CN[C@H](N1CC[NH2+]CC1)C(C)(C)C 259124979 573606834 /nfs/dbraw/zinc/60/68/34/573606834.db2.gz BJRSOVTUQWKJNP-SECBINFHSA-N 1 3 185.315 0.483 10 0 ACAEHO Cc1ccccc1CNC[C@@H]([NH3+])CN 259127256 573609823 /nfs/dbraw/zinc/60/98/23/573609823.db2.gz UCPKDTFKZJCKBB-NSHDSACASA-N 1 3 193.294 0.371 10 0 ACAEHO NC[C@H](O)[C@H]([NH3+])C1CCCCC1 259529258 573609851 /nfs/dbraw/zinc/60/98/51/573609851.db2.gz SRIZICHULOPJDJ-DTWKUNHWSA-N 1 3 172.272 0.214 10 0 ACAEHO N[C@H](C1CCCCC1)[C@@H](O)C[NH3+] 259529258 573609859 /nfs/dbraw/zinc/60/98/59/573609859.db2.gz SRIZICHULOPJDJ-DTWKUNHWSA-N 1 3 172.272 0.214 10 0 ACAEHO NC[C@@H](O)[C@H]([NH3+])C1CCCCC1 259529263 573609880 /nfs/dbraw/zinc/60/98/80/573609880.db2.gz SRIZICHULOPJDJ-RKDXNWHRSA-N 1 3 172.272 0.214 10 0 ACAEHO N[C@H](C1CCCCC1)[C@H](O)C[NH3+] 259529263 573609885 /nfs/dbraw/zinc/60/98/85/573609885.db2.gz SRIZICHULOPJDJ-RKDXNWHRSA-N 1 3 172.272 0.214 10 0 ACAEHO Cc1ccccc1CNC[C@H]([NH3+])CN 259127254 573609915 /nfs/dbraw/zinc/60/99/15/573609915.db2.gz UCPKDTFKZJCKBB-LLVKDONJSA-N 1 3 193.294 0.371 10 0 ACAEHO C1CN=C(NC[C@H]2CCC[NH2+]C2)OC1 257836879 573610211 /nfs/dbraw/zinc/61/02/11/573610211.db2.gz APVIBASNZXHIMR-VIFPVBQESA-N 1 3 197.282 0.352 10 0 ACAEHO CCn1ccnc1NCCC[NH3+] 50608073 573610222 /nfs/dbraw/zinc/61/02/22/573610222.db2.gz PUJULDBXZPSKQL-UHFFFAOYSA-N 1 3 168.244 0.664 10 0 ACAEHO CN1C[C@@H]2C[NH2+]C[C@H](C1)C2(C)C 75557167 573611770 /nfs/dbraw/zinc/61/17/70/573611770.db2.gz QUJZITIZXINTNP-DTORHVGOSA-N 1 3 168.284 0.794 10 0 ACAEHO C[N@@H+]1C[C@@H]2CNC[C@H](C1)C2(C)C 75557167 573611773 /nfs/dbraw/zinc/61/17/73/573611773.db2.gz QUJZITIZXINTNP-DTORHVGOSA-N 1 3 168.284 0.794 10 0 ACAEHO C[N@H+]1C[C@@H]2CNC[C@H](C1)C2(C)C 75557167 573611778 /nfs/dbraw/zinc/61/17/78/573611778.db2.gz QUJZITIZXINTNP-DTORHVGOSA-N 1 3 168.284 0.794 10 0 ACAEHO CN(CN)CCC1CC[NH+](C)CC1 258821322 573611831 /nfs/dbraw/zinc/61/18/31/573611831.db2.gz GHRBRFHQLAAJQF-UHFFFAOYSA-N 1 3 185.315 0.566 10 0 ACAEHO O[C@H](CN1CCCCCC1)[C@H]1CC[NH2+]1 259129894 573611701 /nfs/dbraw/zinc/61/17/01/573611701.db2.gz GDUOKERLPJFMEA-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO O[C@H](C[NH+]1CCCCCC1)[C@H]1CCN1 259129894 573611706 /nfs/dbraw/zinc/61/17/06/573611706.db2.gz GDUOKERLPJFMEA-GHMZBOCLSA-N 1 3 198.310 0.585 10 0 ACAEHO CC(C)C[C@@H]1C[N@H+](C)C[C@@H]1N 82406186 573622331 /nfs/dbraw/zinc/62/23/31/573622331.db2.gz PAYLDXAMLNRNIZ-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO CC(C)C[C@@H]1C[N@@H+](C)C[C@@H]1N 82406186 573622337 /nfs/dbraw/zinc/62/23/37/573622337.db2.gz PAYLDXAMLNRNIZ-BDAKNGLRSA-N 1 3 156.273 0.921 10 0 ACAEHO C[C@@H](CCCC[NH3+])NCc1nc[nH]n1 308643669 573622398 /nfs/dbraw/zinc/62/23/98/573622398.db2.gz FSJCYAWEBAJLPQ-QMMMGPOBSA-N 1 3 197.286 0.412 10 0 ACAEHO C[C@@H](CCCC[NH3+])NCc1nnc[nH]1 308643669 573622403 /nfs/dbraw/zinc/62/24/03/573622403.db2.gz FSJCYAWEBAJLPQ-QMMMGPOBSA-N 1 3 197.286 0.412 10 0 ACAEHO C[C@@H]1CCC[C@@]1(C[NH3+])NCCO 83758102 573622528 /nfs/dbraw/zinc/62/25/28/573622528.db2.gz OROWELFHEQUEDL-BDAKNGLRSA-N 1 3 172.272 0.086 10 0 ACAEHO CC1(C)C[C@H]2CNC[C@@H](C1)C2[NH3+] 259531055 573622807 /nfs/dbraw/zinc/62/28/07/573622807.db2.gz BDYRGPFGTDRKDB-JVHMLUBASA-N 1 3 168.284 0.969 10 0 ACAEHO CC1(C)C[C@H]2C[NH2+]C[C@@H](C1)C2N 259531055 573622811 /nfs/dbraw/zinc/62/28/11/573622811.db2.gz BDYRGPFGTDRKDB-JVHMLUBASA-N 1 3 168.284 0.969 10 0 ACAEHO C[C@@H](CCC[NH3+])NCc1ccn(C)n1 308659556 573629335 /nfs/dbraw/zinc/62/93/35/573629335.db2.gz PDFVESSFFHEERO-VIFPVBQESA-N 1 3 196.298 0.637 10 0 ACAEHO CC[C@](C)([NH3+])CNC 86809325 573629449 /nfs/dbraw/zinc/62/94/49/573629449.db2.gz BQHGTAJKVJFIGU-LURJTMIESA-N 1 3 116.208 0.333 10 0 ACAEHO C[NH2+]CCc1cnc([C@@H]2CCCN2)o1 258072941 573632168 /nfs/dbraw/zinc/63/21/68/573632168.db2.gz MBWBKKCQNPDALS-VIFPVBQESA-N 1 3 195.266 0.861 10 0 ACAEHO CNC(=[NH2+])[C@H]1CCCN(C)C1 259143839 573632411 /nfs/dbraw/zinc/63/24/11/573632411.db2.gz JZUNNEXNNUHPAG-ZETCQYMHSA-N 1 3 155.245 0.525 10 0 ACAEHO CC[C@](C)([NH3+])CNC1CC1 86809309 573632830 /nfs/dbraw/zinc/63/28/30/573632830.db2.gz QNKDWGQWDVGJMW-QMMMGPOBSA-N 1 3 142.246 0.866 10 0 ACAEHO CC[NH+]1CCC([C@@H]2NCCO2)CC1 258073510 573632891 /nfs/dbraw/zinc/63/28/91/573632891.db2.gz HNSPWZKYNMQLFD-SNVBAGLBSA-N 1 3 184.283 0.664 10 0 ACAEHO c1nn([C@@H]2CC[NH2+]C2)c2c1CCNC2 257844995 573638159 /nfs/dbraw/zinc/63/81/59/573638159.db2.gz NJXVUZZQPBORSI-SECBINFHSA-N 1 3 192.266 0.063 10 0 ACAEHO c1nn([C@H]2CC[NH2+]C2)c2c1CCNC2 257844997 573638389 /nfs/dbraw/zinc/63/83/89/573638389.db2.gz NJXVUZZQPBORSI-VIFPVBQESA-N 1 3 192.266 0.063 10 0 ACAEHO CC[C@@H]1CC[C@H](N)C[N@@H+]1C 82409559 573638444 /nfs/dbraw/zinc/63/84/44/573638444.db2.gz ZPPWXZFPKMQKGV-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO CC[C@@H]1CC[C@H](N)C[N@H+]1C 82409559 573638450 /nfs/dbraw/zinc/63/84/50/573638450.db2.gz ZPPWXZFPKMQKGV-JGVFFNPUSA-N 1 3 142.246 0.818 10 0 ACAEHO CN1CCN[C@@H](C[C@H]([NH3+])C2CCC2)C1 259145947 573638528 /nfs/dbraw/zinc/63/85/28/573638528.db2.gz BIHSFUHOMOXIDN-QWRGUYRKSA-N 1 3 197.326 0.408 10 0 ACAEHO CCC[NH+]1CCC(N)(CC(N)=O)CC1 215300026 573638551 /nfs/dbraw/zinc/63/85/51/573638551.db2.gz QPJWNZJAOGRPEV-UHFFFAOYSA-N 1 3 199.298 0.065 10 0 ACAEHO C[NH2+]C(C)(C)CNC[C@H]1CCCN1C 308651592 573638615 /nfs/dbraw/zinc/63/86/15/573638615.db2.gz KMWRPVDCXLCPDF-SNVBAGLBSA-N 1 3 199.342 0.668 10 0 ACAEHO C[NH2+]C(C)(C)CNC[C@@H]1CCCN1C 308651591 573638934 /nfs/dbraw/zinc/63/89/34/573638934.db2.gz KMWRPVDCXLCPDF-JTQLQIEISA-N 1 3 199.342 0.668 10 0 ACAEHO C[C@H]1C[C@@](C)([NH3+])CCN1C 82409599 573639026 /nfs/dbraw/zinc/63/90/26/573639026.db2.gz BXZUZRVTXXRNRK-YUMQZZPRSA-N 1 3 142.246 0.818 10 0 ACAEHO CCN1CCC[C@@]([NH3+])(CC(N)=O)CC1 215299853 573639047 /nfs/dbraw/zinc/63/90/47/573639047.db2.gz ZWCGPIHATDDCFZ-JTQLQIEISA-N 1 3 199.298 0.065 10 0 ACAEHO CC[N@@H+]1CCC[C@@](N)(CC(N)=O)CC1 215299853 573639053 /nfs/dbraw/zinc/63/90/53/573639053.db2.gz ZWCGPIHATDDCFZ-JTQLQIEISA-N 1 3 199.298 0.065 10 0 ACAEHO CC[N@H+]1CCC[C@@](N)(CC(N)=O)CC1 215299853 573639058 /nfs/dbraw/zinc/63/90/58/573639058.db2.gz ZWCGPIHATDDCFZ-JTQLQIEISA-N 1 3 199.298 0.065 10 0 ACAEHO C[C@@H]1CNCC[C@H]1[NH2+]C[C@H](O)C1CC1 308651755 573639080 /nfs/dbraw/zinc/63/90/80/573639080.db2.gz KOSXSZXAFBNWNA-IEBDPFPHSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1C[NH2+]CC[C@H]1NC[C@H](O)C1CC1 308651755 573639087 /nfs/dbraw/zinc/63/90/87/573639087.db2.gz KOSXSZXAFBNWNA-IEBDPFPHSA-N 1 3 198.310 0.345 10 0 ACAEHO CN1CCN[C@@H](C[C@@H]([NH3+])C2CCC2)C1 259145948 573639133 /nfs/dbraw/zinc/63/91/33/573639133.db2.gz BIHSFUHOMOXIDN-WDEREUQCSA-N 1 3 197.326 0.408 10 0 ACAEHO CN1CCN[C@H](C[C@@H]([NH3+])C2CCC2)C1 259145943 573639216 /nfs/dbraw/zinc/63/92/16/573639216.db2.gz BIHSFUHOMOXIDN-GHMZBOCLSA-N 1 3 197.326 0.408 10 0 ACAEHO C[C@@H]1CO[C@@H](C[C@@H]2CC[N@H+](C)C2)N1 258849810 573656271 /nfs/dbraw/zinc/65/62/71/573656271.db2.gz ZWWKGZSSBIIXEL-UTLUCORTSA-N 1 3 184.283 0.663 10 0 ACAEHO [NH3+]C1(CCN2CCCOCC2)CCC1 86854057 573655522 /nfs/dbraw/zinc/65/55/22/573655522.db2.gz PFMSQXPGTZHGNF-UHFFFAOYSA-N 1 3 198.310 0.980 10 0 ACAEHO C[C@@H]1CO[C@@H](C[C@@H]2CC[N@@H+](C)C2)N1 258849810 573656276 /nfs/dbraw/zinc/65/62/76/573656276.db2.gz ZWWKGZSSBIIXEL-UTLUCORTSA-N 1 3 184.283 0.663 10 0 ACAEHO CCCN1C[C@H]2[C@H]([NH3+])[C@H]2C1 259152009 573655787 /nfs/dbraw/zinc/65/57/87/573655787.db2.gz GZVSUIBRIWQVAR-JIGDXULJSA-N 1 3 140.230 0.285 10 0 ACAEHO C[C@@H]([NH2+]CCC1(CO)CC1)C1CNC1 686248091 573655843 /nfs/dbraw/zinc/65/58/43/573655843.db2.gz HXQWZSFHXWZRBW-SECBINFHSA-N 1 3 198.310 0.347 10 0 ACAEHO C[C@@H](NCCC1(CO)CC1)C1C[NH2+]C1 686248091 573655850 /nfs/dbraw/zinc/65/58/50/573655850.db2.gz HXQWZSFHXWZRBW-SECBINFHSA-N 1 3 198.310 0.347 10 0 ACAEHO CN1CCC[C@@H]([C@@]2(C)[NH2+]CCO2)C1 258846842 573656141 /nfs/dbraw/zinc/65/61/41/573656141.db2.gz ZUQOWRXFJRGHRT-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@H](N1CCN(C)CC1)C(C)(C)C[NH3+] 257842010 573656163 /nfs/dbraw/zinc/65/61/63/573656163.db2.gz BYUDLBHLFGUOTN-JTQLQIEISA-N 1 3 199.342 0.607 10 0 ACAEHO CCN1C[C@H]([NH3+])CC1(C)C 258853908 573656309 /nfs/dbraw/zinc/65/63/09/573656309.db2.gz QUIFIILGAWNXOK-SSDOTTSWSA-N 1 3 142.246 0.818 10 0 ACAEHO NCc1csc(C[C@H]2CCC[NH2+]2)n1 258082454 573656537 /nfs/dbraw/zinc/65/65/37/573656537.db2.gz MMCBMZGDHSRLQS-SSDOTTSWSA-N 1 3 197.307 0.896 10 0 ACAEHO C[NH+]1CCC2(CC1)C[C@H](F)CN2 258083073 573656606 /nfs/dbraw/zinc/65/66/06/573656606.db2.gz MMMFIOJVLWWLMH-QMMMGPOBSA-N 1 3 172.247 0.782 10 0 ACAEHO CN1CCC2(CC1)C[C@H](F)C[NH2+]2 258083073 573656610 /nfs/dbraw/zinc/65/66/10/573656610.db2.gz MMMFIOJVLWWLMH-QMMMGPOBSA-N 1 3 172.247 0.782 10 0 ACAEHO C[C@@H](NCC1(O)CCC1)C1C[NH2+]C1 686248153 573656692 /nfs/dbraw/zinc/65/66/92/573656692.db2.gz JFRXXBSYFDDKTI-MRVPVSSYSA-N 1 3 184.283 0.099 10 0 ACAEHO C[C@@H]([NH2+]CC1(O)CCC1)C1CNC1 686248153 573656696 /nfs/dbraw/zinc/65/66/96/573656696.db2.gz JFRXXBSYFDDKTI-MRVPVSSYSA-N 1 3 184.283 0.099 10 0 ACAEHO CNCNCC(C)(C)[C@H]1CC[N@H+](C)C1 258851247 573656858 /nfs/dbraw/zinc/65/68/58/573656858.db2.gz DMHWCORCHINLFI-JTQLQIEISA-N 1 3 199.342 0.731 10 0 ACAEHO CNCNCC(C)(C)[C@H]1CC[N@@H+](C)C1 258851247 573656864 /nfs/dbraw/zinc/65/68/64/573656864.db2.gz DMHWCORCHINLFI-JTQLQIEISA-N 1 3 199.342 0.731 10 0 ACAEHO CC[N@@H+]1CC[C@@]2(N)C[C@H]2C1 258084482 573664300 /nfs/dbraw/zinc/66/43/00/573664300.db2.gz WAQQVLKUCUGJQE-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO CC[N@H+]1CC[C@@]2(N)C[C@H]2C1 258084482 573664307 /nfs/dbraw/zinc/66/43/07/573664307.db2.gz WAQQVLKUCUGJQE-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO CCN1CC[C@@]2([NH3+])C[C@H]2C1 258084482 573664313 /nfs/dbraw/zinc/66/43/13/573664313.db2.gz WAQQVLKUCUGJQE-JGVFFNPUSA-N 1 3 140.230 0.429 10 0 ACAEHO [NH3+]CCCc1ncc2ccc(O)cn12 257843944 573664075 /nfs/dbraw/zinc/66/40/75/573664075.db2.gz NCGKKQMRIAWXQJ-UHFFFAOYSA-N 1 3 191.234 0.931 10 0 ACAEHO CN1CCC[C@@H](C(=O)[C@H]2CC[NH2+]C2)C1 259153819 573668704 /nfs/dbraw/zinc/66/87/04/573668704.db2.gz LEBIBBSOJDRCMM-VHSXEESVSA-N 1 3 196.294 0.507 10 0 ACAEHO C[NH2+]CC(C)(C)N[C@H]1CCN(C)C1 258859590 573668865 /nfs/dbraw/zinc/66/88/65/573668865.db2.gz OHIFAJOOCNLTJP-VIFPVBQESA-N 1 3 185.315 0.278 10 0 ACAEHO NCC[NH2+]Cc1ccc2ncoc2c1 258855689 573668936 /nfs/dbraw/zinc/66/89/36/573668936.db2.gz XXGQDRNHYRMGNM-UHFFFAOYSA-N 1 3 191.234 0.876 10 0 ACAEHO CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N)C1 258862215 573668952 /nfs/dbraw/zinc/66/89/52/573668952.db2.gz FOSQAZKLIBPWGJ-GUBZILKMSA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 258862215 573668953 /nfs/dbraw/zinc/66/89/53/573668953.db2.gz FOSQAZKLIBPWGJ-GUBZILKMSA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2N)C1 258862211 573669131 /nfs/dbraw/zinc/66/91/31/573669131.db2.gz FOSQAZKLIBPWGJ-AEJSXWLSSA-N 1 3 183.299 0.160 10 0 ACAEHO CN1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 258862211 573669134 /nfs/dbraw/zinc/66/91/34/573669134.db2.gz FOSQAZKLIBPWGJ-AEJSXWLSSA-N 1 3 183.299 0.160 10 0 ACAEHO CO[C@H]1C[C@H](C[N@@H+]2CC[C@H](CN)C2)C1 714725702 573669150 /nfs/dbraw/zinc/66/91/50/573669150.db2.gz YXKLPJWRSPDOTO-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO CO[C@H]1C[C@H](C[N@H+]2CC[C@H](CN)C2)C1 714725702 573669153 /nfs/dbraw/zinc/66/91/53/573669153.db2.gz YXKLPJWRSPDOTO-GMTAPVOTSA-N 1 3 198.310 0.692 10 0 ACAEHO CC[NH2+][C@@H]1CCN([C@@H](C)CN(C)C)C1 130718766 573669180 /nfs/dbraw/zinc/66/91/80/573669180.db2.gz HLVDFMAVYSYQGN-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[C@H]([NH2+]CCC1CC(O)C1)C1CNC1 686248671 573669220 /nfs/dbraw/zinc/66/92/20/573669220.db2.gz QDCTXGGFCLJTOB-SILCLGDVSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]1CCN(CCNC(N)=[NH2+])[C@@H]1C 238469940 573679282 /nfs/dbraw/zinc/67/92/82/573679282.db2.gz GOLLTSSZKQCIKY-JGVFFNPUSA-N 1 3 184.287 0.200 10 0 ACAEHO CN1CCC[C@@H](N(C)CC2([NH3+])CC2)C1 83837355 573679328 /nfs/dbraw/zinc/67/93/28/573679328.db2.gz WEYPNJKRQZCCDM-SNVBAGLBSA-N 1 3 197.326 0.504 10 0 ACAEHO CCN1CCN(CC2([NH3+])CC2)C[C@@H]1C 83837474 573679472 /nfs/dbraw/zinc/67/94/72/573679472.db2.gz ZBFPDSTYLJEPNX-JTQLQIEISA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[N@H+](CC2(N)CC2)CCCO1 83837383 573679975 /nfs/dbraw/zinc/67/99/75/573679975.db2.gz HZLGLQLQJJPQNY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@@H]1C[N@@H+](CC2(N)CC2)CCCO1 83837383 573679979 /nfs/dbraw/zinc/67/99/79/573679979.db2.gz HZLGLQLQJJPQNY-SECBINFHSA-N 1 3 184.283 0.589 10 0 ACAEHO C[C@H]1CCN(CCNC(N)=[NH2+])C[C@@H]1C 238469917 573682251 /nfs/dbraw/zinc/68/22/51/573682251.db2.gz VXXPJGGYBWLRDS-IUCAKERBSA-N 1 3 198.314 0.447 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCN(C)C[C@@H]1C 235633738 573682403 /nfs/dbraw/zinc/68/24/03/573682403.db2.gz MAWSOZKIAVYKER-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO C[C@@H]([NH3+])[C@@H]1CN2CCC1CC2 107977796 573682509 /nfs/dbraw/zinc/68/25/09/573682509.db2.gz FXYFKQVZQMWAQX-APPZFPTMSA-N 1 3 154.257 0.675 10 0 ACAEHO CC(C)[N@@H+]1C[C@@H](N)C[C@@H](CCO)C1 108001852 573682633 /nfs/dbraw/zinc/68/26/33/573682633.db2.gz REGUEWBBSKARPW-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CC(C)[N@H+]1C[C@@H](N)C[C@@H](CCO)C1 108001852 573682640 /nfs/dbraw/zinc/68/26/40/573682640.db2.gz REGUEWBBSKARPW-ZJUUUORDSA-N 1 3 186.299 0.426 10 0 ACAEHO CN1CC[C@@H](N(C)CC[NH2+]C2CC2)C1 258875077 573682816 /nfs/dbraw/zinc/68/28/16/573682816.db2.gz JVYYHVSNAAFSCJ-LLVKDONJSA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@H]([NH3+])[C@H]1CN2CCC1CC2 107977799 573682847 /nfs/dbraw/zinc/68/28/47/573682847.db2.gz FXYFKQVZQMWAQX-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO CC(C)[C@@H](C[NH3+])CNC/C=C\CO 717535814 573686111 /nfs/dbraw/zinc/68/61/11/573686111.db2.gz WPUFZTPLSAQYPN-XOULXFPDSA-N 1 3 186.299 0.355 10 0 ACAEHO C[C@H]([NH3+])CC1(N(C)C)CC1 259158894 573686582 /nfs/dbraw/zinc/68/65/82/573686582.db2.gz HJVNELFQLYFQPI-ZETCQYMHSA-N 1 3 142.246 0.818 10 0 ACAEHO C[NH2+][C@H](C1CCN(C)CC1)[C@@H](C)O 259157981 573686635 /nfs/dbraw/zinc/68/66/35/573686635.db2.gz GDGNOIPXIZVVGY-SCZZXKLOSA-N 1 3 186.299 0.297 10 0 ACAEHO COCCC[N@@H+]1CCC[C@@H]1CCN 259168723 573697275 /nfs/dbraw/zinc/69/72/75/573697275.db2.gz GQRZDKDJJZKWBD-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO COCCC[N@H+]1CCC[C@@H]1CCN 259168723 573697277 /nfs/dbraw/zinc/69/72/77/573697277.db2.gz GQRZDKDJJZKWBD-SNVBAGLBSA-N 1 3 186.299 0.836 10 0 ACAEHO CN[C@H](C1CCC1)N1CC[NH2+]CC1 259166480 573698424 /nfs/dbraw/zinc/69/84/24/573698424.db2.gz DBZIVBGMARATLB-JTQLQIEISA-N 1 3 183.299 0.237 10 0 ACAEHO CC1(C)C[C@H](NCC[NH3+])C(C)(C)O1 86927210 573697778 /nfs/dbraw/zinc/69/77/78/573697778.db2.gz CFNQHDHUQAHQCO-QMMMGPOBSA-N 1 3 186.299 0.881 10 0 ACAEHO [NH3+]C[C@H]1[C@@H](CN2CCC2)C1(F)F 715172300 573697814 /nfs/dbraw/zinc/69/78/14/573697814.db2.gz APNKHZYTIWOKPV-NKWVEPMBSA-N 1 3 176.210 0.532 10 0 ACAEHO C[C@H]1CN2CCC[C@@H]2CN1C(N)=[NH2+] 86932827 573697855 /nfs/dbraw/zinc/69/78/55/573697855.db2.gz WSYLKZCPVNNDAQ-JGVFFNPUSA-N 1 3 182.271 0.048 10 0 ACAEHO C(CC1CCOCC1)[NH2+]CC1CNC1 258885709 573697934 /nfs/dbraw/zinc/69/79/34/573697934.db2.gz KVSCBUONTRMKNL-UHFFFAOYSA-N 1 3 198.310 0.612 10 0 ACAEHO NC(=[NH2+])CN1CCN2CCCC[C@H]2C1 86929920 573698050 /nfs/dbraw/zinc/69/80/50/573698050.db2.gz KLZYTMAKADMBRF-VIFPVBQESA-N 1 3 196.298 0.092 10 0 ACAEHO C[NH2+]CCN1CCN2CCCC[C@@H]2C1 86929856 573698160 /nfs/dbraw/zinc/69/81/60/573698160.db2.gz BBXIPYPSYDMONT-LLVKDONJSA-N 1 3 197.326 0.376 10 0 ACAEHO CN[C@@]1(C[NH3+])CC(C)(C)OC1(C)C 86927635 573698379 /nfs/dbraw/zinc/69/83/79/573698379.db2.gz DFTXDHROABCSDE-SNVBAGLBSA-N 1 3 186.299 0.881 10 0 ACAEHO CN1CC[NH2+][C@@H]([C@H](N)C2CCC2)C1 259171749 573698603 /nfs/dbraw/zinc/69/86/03/573698603.db2.gz CIRBYGOQPKTOBX-NXEZZACHSA-N 1 3 183.299 0.017 10 0 ACAEHO C[C@@H](CCO)NCC(C)(C)[NH3+] 393646688 573698683 /nfs/dbraw/zinc/69/86/83/573698683.db2.gz IPGFETYQYIUVRA-ZETCQYMHSA-N 1 3 160.261 0.084 10 0 ACAEHO C[NH2+][C@H](C1CCOCC1)[C@H](C)CN 259171730 573698738 /nfs/dbraw/zinc/69/87/38/573698738.db2.gz CIFRMEMPHFEGSK-SCZZXKLOSA-N 1 3 186.299 0.596 10 0 ACAEHO COCCC[N@@H+]1CCC[C@H]1CCN 259168718 573698984 /nfs/dbraw/zinc/69/89/84/573698984.db2.gz GQRZDKDJJZKWBD-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO COCCC[N@H+]1CCC[C@H]1CCN 259168718 573698988 /nfs/dbraw/zinc/69/89/88/573698988.db2.gz GQRZDKDJJZKWBD-JTQLQIEISA-N 1 3 186.299 0.836 10 0 ACAEHO C[C@H]1C[N@@H+](C2CCN(C)CC2)C[C@@H]1N 235640200 573699116 /nfs/dbraw/zinc/69/91/16/573699116.db2.gz MEWAZFNUAJLDLL-ONGXEEELSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H]1C[N@H+](C2CCN(C)CC2)C[C@@H]1N 235640200 573699122 /nfs/dbraw/zinc/69/91/22/573699122.db2.gz MEWAZFNUAJLDLL-ONGXEEELSA-N 1 3 197.326 0.360 10 0 ACAEHO C[C@H](C[NH3+])N1CCN2CCCC[C@@H]2C1 86929761 573699167 /nfs/dbraw/zinc/69/91/67/573699167.db2.gz QXHPVJIYVUDRQO-GHMZBOCLSA-N 1 3 197.326 0.504 10 0 ACAEHO C[C@@H]1C[C@H]([N@H+](C)CCN)CS1 86937576 573706716 /nfs/dbraw/zinc/70/67/16/573706716.db2.gz FBNDDXIOKXAXRV-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H]1C[C@H]([N@@H+](C)CCN)CS1 86937576 573706722 /nfs/dbraw/zinc/70/67/22/573706722.db2.gz FBNDDXIOKXAXRV-SFYZADRCSA-N 1 3 174.313 0.771 10 0 ACAEHO CCN[C@]1(C[NH3+])CS[C@H](C)C1 86936781 573706846 /nfs/dbraw/zinc/70/68/46/573706846.db2.gz HRUWMDSWGCMJKO-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO CN[C@]1(C[NH3+])CS[C@H](C)C1 86936776 573706987 /nfs/dbraw/zinc/70/69/87/573706987.db2.gz UNMXDHHUJHQKNM-RNFRBKRXSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H]1C[C@H](NCC[NH3+])CS1 86935249 573707118 /nfs/dbraw/zinc/70/71/18/573707118.db2.gz XWZVFGWEJRKVBG-BQBZGAKWSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H]1C[C@](CN)([NH+](C)C)CS1 86936581 573707158 /nfs/dbraw/zinc/70/71/58/573707158.db2.gz OBBPEATWKDTELD-JGVFFNPUSA-N 1 3 174.313 0.771 10 0 ACAEHO C[C@@H]1C[C@@H](NCC[NH3+])CS1 86935250 573707266 /nfs/dbraw/zinc/70/72/66/573707266.db2.gz XWZVFGWEJRKVBG-RNFRBKRXSA-N 1 3 160.286 0.429 10 0 ACAEHO C[C@H](N[C@@H](C)C1(CO)CC1)C1C[NH2+]C1 686254963 573712336 /nfs/dbraw/zinc/71/23/36/573712336.db2.gz YIAIIIXNPLPYIK-IUCAKERBSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)C1CNC1 686254963 573712339 /nfs/dbraw/zinc/71/23/39/573712339.db2.gz YIAIIIXNPLPYIK-IUCAKERBSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]1SCCC[C@]1(N)C[NH3+] 86946130 573712365 /nfs/dbraw/zinc/71/23/65/573712365.db2.gz ISZIXGOQVNYXNR-BQBZGAKWSA-N 1 3 160.286 0.558 10 0 ACAEHO CN1CC[NH+]=C1CC(C)(C)N 108264454 573711905 /nfs/dbraw/zinc/71/19/05/573711905.db2.gz HUXQPAOAQDRLCN-UHFFFAOYSA-N 1 3 155.245 0.458 10 0 ACAEHO C[C@@H]([NH2+]CCC1CC1)C1CNC1 686249731 573711913 /nfs/dbraw/zinc/71/19/13/573711913.db2.gz LNAXJUQFLZVNGC-MRVPVSSYSA-N 1 3 168.284 0.984 10 0 ACAEHO C[C@@]1(CN)C[NH2+]CC[C@@H]1F 238492456 573711978 /nfs/dbraw/zinc/71/19/78/573711978.db2.gz VKGANNGLUBYSEP-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@@]1(C[NH3+])CNCC[C@@H]1F 238492456 573711983 /nfs/dbraw/zinc/71/19/83/573711983.db2.gz VKGANNGLUBYSEP-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@@H](N[C@H](C)C1(CO)CC1)C1C[NH2+]C1 686254967 573714266 /nfs/dbraw/zinc/71/42/66/573714266.db2.gz YIAIIIXNPLPYIK-RKDXNWHRSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)C1CNC1 686254967 573714271 /nfs/dbraw/zinc/71/42/71/573714271.db2.gz YIAIIIXNPLPYIK-RKDXNWHRSA-N 1 3 198.310 0.345 10 0 ACAEHO NC[C@H](C[NH2+]C1CC1)C1CCOCC1 258096428 573714308 /nfs/dbraw/zinc/71/43/08/573714308.db2.gz KANQHVGTSCWPCT-SNVBAGLBSA-N 1 3 198.310 0.740 10 0 ACAEHO [NH3+]C[C@H](CNC1CC1)C1CCOCC1 258096428 573714313 /nfs/dbraw/zinc/71/43/13/573714313.db2.gz KANQHVGTSCWPCT-SNVBAGLBSA-N 1 3 198.310 0.740 10 0 ACAEHO C[C@@]1(C[NH3+])CNCCC1(F)F 238492440 573714449 /nfs/dbraw/zinc/71/44/49/573714449.db2.gz ZFAYXLLIZPZDJJ-ZCFIWIBFSA-N 1 3 164.199 0.580 10 0 ACAEHO C[C@@H](C[NH3+])CN1CCC1 108280319 573714540 /nfs/dbraw/zinc/71/45/40/573714540.db2.gz ATFXPFAGXDVQJR-ZETCQYMHSA-N 1 3 128.219 0.287 10 0 ACAEHO C[C@@]1(CN)C[NH2+]CC[C@H]1F 238492475 573714913 /nfs/dbraw/zinc/71/49/13/573714913.db2.gz VKGANNGLUBYSEP-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@@]1(C[NH3+])CNCC[C@H]1F 238492475 573714915 /nfs/dbraw/zinc/71/49/15/573714915.db2.gz VKGANNGLUBYSEP-RNFRBKRXSA-N 1 3 146.209 0.283 10 0 ACAEHO C[C@H](C[NH3+])CN1CCC1 108280322 573715425 /nfs/dbraw/zinc/71/54/25/573715425.db2.gz ATFXPFAGXDVQJR-SSDOTTSWSA-N 1 3 128.219 0.287 10 0 ACAEHO CCC[C@@](N)(CC)C[NH3+] 144775919 573731200 /nfs/dbraw/zinc/73/12/00/573731200.db2.gz HWNQPFFOPXRWGZ-ZETCQYMHSA-N 1 3 130.235 0.853 10 0 ACAEHO C[C@@H]([NH3+])c1cnn([C@@H]2CCN(C)C2)c1 257851921 573732430 /nfs/dbraw/zinc/73/24/30/573732430.db2.gz PEZZDDUNQOUTHN-PSASIEDQSA-N 1 3 194.282 0.779 10 0 ACAEHO C[C@H]([NH3+])c1cnn([C@@H]2CCN(C)C2)c1 257851923 573732498 /nfs/dbraw/zinc/73/24/98/573732498.db2.gz PEZZDDUNQOUTHN-WCBMZHEXSA-N 1 3 194.282 0.779 10 0 ACAEHO CNC[C@H](O)C[N@H+](C)CCC1CC1 308428283 573739676 /nfs/dbraw/zinc/73/96/76/573739676.db2.gz YFMHKJPDZZSSPX-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CNC[C@H](O)C[N@@H+](C)CCC1CC1 308428283 573739682 /nfs/dbraw/zinc/73/96/82/573739682.db2.gz YFMHKJPDZZSSPX-JTQLQIEISA-N 1 3 186.299 0.299 10 0 ACAEHO CC[C@H]([NH2+]C)[C@@H](C)CN 259174392 573739015 /nfs/dbraw/zinc/73/90/15/573739015.db2.gz CMKMPHHTFSJZIN-BQBZGAKWSA-N 1 3 130.235 0.579 10 0 ACAEHO C[C@@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 715006836 573739034 /nfs/dbraw/zinc/73/90/34/573739034.db2.gz LBURTEIUYLNHOK-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@@H+]1CCC[C@@H]2CNCC[C@H]21 715006836 573739039 /nfs/dbraw/zinc/73/90/39/573739039.db2.gz LBURTEIUYLNHOK-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO C[C@@H](O)C[N@H+]1CCC[C@@H]2CNCC[C@H]21 715006836 573739044 /nfs/dbraw/zinc/73/90/44/573739044.db2.gz LBURTEIUYLNHOK-GMTAPVOTSA-N 1 3 198.310 0.441 10 0 ACAEHO O[C@@H]1CC[NH2+]C[C@@H]1CN1CCCCC1 257858925 573739136 /nfs/dbraw/zinc/73/91/36/573739136.db2.gz OHGLZZCWRAFREY-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CO[C@@H](CN)C[N@H+](C)CCCF 716773647 573739217 /nfs/dbraw/zinc/73/92/17/573739217.db2.gz VRHXUENHPVKCOY-QMMMGPOBSA-N 1 3 178.251 0.252 10 0 ACAEHO CO[C@@H](CN)C[N@@H+](C)CCCF 716773647 573739218 /nfs/dbraw/zinc/73/92/18/573739218.db2.gz VRHXUENHPVKCOY-QMMMGPOBSA-N 1 3 178.251 0.252 10 0 ACAEHO CC[C@H](C1C[NH2+]C1)N1CCC[C@H](O)C1 716144247 573739345 /nfs/dbraw/zinc/73/93/45/573739345.db2.gz LPRQURMUTDRYAE-WDEREUQCSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@H](C1CNC1)[N@@H+]1CCC[C@H](O)C1 716144247 573739351 /nfs/dbraw/zinc/73/93/51/573739351.db2.gz LPRQURMUTDRYAE-WDEREUQCSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@H](C1CNC1)[N@H+]1CCC[C@H](O)C1 716144247 573739357 /nfs/dbraw/zinc/73/93/57/573739357.db2.gz LPRQURMUTDRYAE-WDEREUQCSA-N 1 3 198.310 0.441 10 0 ACAEHO CC[C@@H]([NH2+]C)[C@H](C)CN 259174398 573739461 /nfs/dbraw/zinc/73/94/61/573739461.db2.gz CMKMPHHTFSJZIN-RNFRBKRXSA-N 1 3 130.235 0.579 10 0 ACAEHO CC[C@@H]([NH2+]C)[C@@H](C)CN 259174396 573739614 /nfs/dbraw/zinc/73/96/14/573739614.db2.gz CMKMPHHTFSJZIN-NKWVEPMBSA-N 1 3 130.235 0.579 10 0 ACAEHO COC[C@@H](C)N[C@@H](C)C1C[NH2+]C1 686250304 573746514 /nfs/dbraw/zinc/74/65/14/573746514.db2.gz YDXINXJOHLBURA-SFYZADRCSA-N 1 3 172.272 0.219 10 0 ACAEHO COC[C@@H](C)[NH2+][C@@H](C)C1CNC1 686250304 573746516 /nfs/dbraw/zinc/74/65/16/573746516.db2.gz YDXINXJOHLBURA-SFYZADRCSA-N 1 3 172.272 0.219 10 0 ACAEHO CCN1CCCN(CC(C)(C)[NH3+])CC1 108311668 573748417 /nfs/dbraw/zinc/74/84/17/573748417.db2.gz QLELKJQHJQZCPJ-UHFFFAOYSA-N 1 3 199.342 0.751 10 0 ACAEHO C[C@@H]1C[C@H]([NH3+])CN([C@@H]2CCN(C)C2)C1 87039534 573750940 /nfs/dbraw/zinc/75/09/40/573750940.db2.gz HFPVJCUWJHQGKH-OUAUKWLOSA-N 1 3 197.326 0.360 10 0 ACAEHO CC(C)[NH2+]CCN[C@H]1CCN(C)C1 258907853 573750974 /nfs/dbraw/zinc/75/09/74/573750974.db2.gz NAVUTFIHXVRUKY-JTQLQIEISA-N 1 3 185.315 0.278 10 0 ACAEHO CC[C@H](C[NH3+])CN[C@@H]1CCCN(C)C1 258919941 573751028 /nfs/dbraw/zinc/75/10/28/573751028.db2.gz GSFCFAYQGUGLOD-GHMZBOCLSA-N 1 3 199.342 0.655 10 0 ACAEHO CC[C@H](O)[C@H](C)N[C@H](C)C1C[NH2+]C1 686250160 573751083 /nfs/dbraw/zinc/75/10/83/573751083.db2.gz WHUPOYLBLYJURC-WEDXCCLWSA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@H](O)[C@H](C)[NH2+][C@H](C)C1CNC1 686250160 573751087 /nfs/dbraw/zinc/75/10/87/573751087.db2.gz WHUPOYLBLYJURC-WEDXCCLWSA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@H](CCO)[NH2+][C@@H](C)C1CNC1 686244166 573751232 /nfs/dbraw/zinc/75/12/32/573751232.db2.gz BXGSTHZAPWHJGE-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO CC[C@H](CCO)N[C@@H](C)C1C[NH2+]C1 686244166 573751236 /nfs/dbraw/zinc/75/12/36/573751236.db2.gz BXGSTHZAPWHJGE-WCBMZHEXSA-N 1 3 186.299 0.345 10 0 ACAEHO C[C@@H]1C[C@@H]([NH3+])CN([C@@H]2CCN(C)C2)C1 87039539 573751237 /nfs/dbraw/zinc/75/12/37/573751237.db2.gz HFPVJCUWJHQGKH-GMTAPVOTSA-N 1 3 197.326 0.360 10 0 ACAEHO Cc1nc(CC[NH2+][C@@H](C)[C@H](C)N)no1 308706069 573751355 /nfs/dbraw/zinc/75/13/55/573751355.db2.gz WVDLQRZWEUGGOF-BQBZGAKWSA-N 1 3 198.270 0.246 10 0 ACAEHO CC[C@H](O)[C@@H](C)N[C@H](C)C1C[NH2+]C1 686250158 573751377 /nfs/dbraw/zinc/75/13/77/573751377.db2.gz WHUPOYLBLYJURC-MRTMQBJTSA-N 1 3 186.299 0.343 10 0 ACAEHO CC[C@H](O)[C@@H](C)[NH2+][C@H](C)C1CNC1 686250158 573751382 /nfs/dbraw/zinc/75/13/82/573751382.db2.gz WHUPOYLBLYJURC-MRTMQBJTSA-N 1 3 186.299 0.343 10 0 ACAEHO COC[C@]1([C@H]2CC[NH2+]C2)CCCCN1 258120334 573755089 /nfs/dbraw/zinc/75/50/89/573755089.db2.gz ZYRNYZCFXAXAPE-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO CN1CC[C@@H](C(=O)C[C@@H]2CCC[NH2+]2)C1 259182828 573754282 /nfs/dbraw/zinc/75/42/82/573754282.db2.gz NIGXPVRDYWYGOQ-ZJUUUORDSA-N 1 3 196.294 0.649 10 0 ACAEHO CC(C)[NH2+]CCN[C@@H]1CCN(C)C1 258907855 573754349 /nfs/dbraw/zinc/75/43/49/573754349.db2.gz NAVUTFIHXVRUKY-SNVBAGLBSA-N 1 3 185.315 0.278 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C 308704215 573754476 /nfs/dbraw/zinc/75/44/76/573754476.db2.gz WDOKBXREPBKRGT-AXFHLTTASA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@H]([NH3+])[C@@H](C)NC[C@@H]1CCCCN1C 308704215 573754482 /nfs/dbraw/zinc/75/44/82/573754482.db2.gz WDOKBXREPBKRGT-AXFHLTTASA-N 1 3 199.342 0.796 10 0 ACAEHO CN1CC[C@H](C(=O)C[C@H]2CCC[NH2+]2)C1 259182827 573754539 /nfs/dbraw/zinc/75/45/39/573754539.db2.gz NIGXPVRDYWYGOQ-VHSXEESVSA-N 1 3 196.294 0.649 10 0 ACAEHO C[C@H](N)[C@@H](C)[NH2+]CC1(N(C)C)CCC1 308696656 573755039 /nfs/dbraw/zinc/75/50/39/573755039.db2.gz TVDZSYIJMWYYKH-VHSXEESVSA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@H](C[NH3+])CC(=O)[C@@H]1CCCN(C)C1 259182712 573755064 /nfs/dbraw/zinc/75/50/64/573755064.db2.gz NFVGPZKAKCVIRW-VHSXEESVSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@@H](C)N 308696659 573755074 /nfs/dbraw/zinc/75/50/74/573755074.db2.gz TVDZSYIJMWYYKH-ZJUUUORDSA-N 1 3 199.342 0.796 10 0 ACAEHO C[N@@H+]1C[C@H](CN)C[C@@H]1C1CC1 108331464 573755199 /nfs/dbraw/zinc/75/51/99/573755199.db2.gz PUWYAAZSHZUTFZ-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO C[N@H+]1C[C@H](CN)C[C@@H]1C1CC1 108331464 573755201 /nfs/dbraw/zinc/75/52/01/573755201.db2.gz PUWYAAZSHZUTFZ-IONNQARKSA-N 1 3 154.257 0.675 10 0 ACAEHO C[C@H](C[NH+](C)C)Oc1ccnc(N)c1 393668628 573755207 /nfs/dbraw/zinc/75/52/07/573755207.db2.gz PQTKETQTOCGEEA-MRVPVSSYSA-N 1 3 195.266 0.823 10 0 ACAEHO C[C@H](CN(C)C)N[C@H]1CC[NH2+]C[C@H]1C 308697074 573755329 /nfs/dbraw/zinc/75/53/29/573755329.db2.gz TZLDAWPAPDFIEF-MXWKQRLJSA-N 1 3 199.342 0.524 10 0 ACAEHO C[C@@H](C[NH3+])C(=O)[C@H]1CCCN(C)C1 259182814 573755426 /nfs/dbraw/zinc/75/54/26/573755426.db2.gz NIABEBJJGDFSLB-IUCAKERBSA-N 1 3 184.283 0.492 10 0 ACAEHO COC[C@]1([C@@H]2CCCC[NH2+]2)CCCN1 258120078 573755438 /nfs/dbraw/zinc/75/54/38/573755438.db2.gz ZUZJFXUYDVGBPU-QWRGUYRKSA-N 1 3 198.310 0.897 10 0 ACAEHO C[C@@H](C[NH+](C)C)Oc1ccnc(N)c1 393668631 573755471 /nfs/dbraw/zinc/75/54/71/573755471.db2.gz PQTKETQTOCGEEA-QMMMGPOBSA-N 1 3 195.266 0.823 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@H](N)CN(C)C)C1 258121081 573755515 /nfs/dbraw/zinc/75/55/15/573755515.db2.gz LIORAXQSEKQLJA-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@H](N)CN(C)C)C1 258121081 573755522 /nfs/dbraw/zinc/75/55/22/573755522.db2.gz LIORAXQSEKQLJA-NXEZZACHSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@H](N)[C@H](C)[NH2+]CC1(N(C)C)CCC1 308696654 573755689 /nfs/dbraw/zinc/75/56/89/573755689.db2.gz TVDZSYIJMWYYKH-UWVGGRQHSA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@H](C[NH3+])CC(=O)[C@H]1CCCN(C)C1 259182710 573755975 /nfs/dbraw/zinc/75/59/75/573755975.db2.gz NFVGPZKAKCVIRW-UWVGGRQHSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(=O)CC[NH2+]CC1CCN(C)CC1 258917631 573756319 /nfs/dbraw/zinc/75/63/19/573756319.db2.gz NCQRFPRWWJBIPT-UHFFFAOYSA-N 1 3 198.310 0.897 10 0 ACAEHO CC(C)(C)C1=[NH+][C@@H]2CCNC[C@H]2N1 258119300 573756357 /nfs/dbraw/zinc/75/63/57/573756357.db2.gz WCMHFWWABBBPAE-HTQZYQBOSA-N 1 3 181.283 0.765 10 0 ACAEHO C[C@H](C[NH3+])C(=O)[C@@H]1CCCN(C)C1 259182815 573756387 /nfs/dbraw/zinc/75/63/87/573756387.db2.gz NIABEBJJGDFSLB-RKDXNWHRSA-N 1 3 184.283 0.492 10 0 ACAEHO CC(C)(C)C1=[NH+][C@@H]2CCNC[C@@H]2N1 258119302 573756395 /nfs/dbraw/zinc/75/63/95/573756395.db2.gz WCMHFWWABBBPAE-SFYZADRCSA-N 1 3 181.283 0.765 10 0 ACAEHO COC[C@@]1([C@H]2CC[NH2+]C2)CCCCN1 258120336 573756437 /nfs/dbraw/zinc/75/64/37/573756437.db2.gz ZYRNYZCFXAXAPE-WDEREUQCSA-N 1 3 198.310 0.755 10 0 ACAEHO COC[C@]1([C@@H]2CC[NH2+]C2)CCCCN1 258120332 573756703 /nfs/dbraw/zinc/75/67/03/573756703.db2.gz ZYRNYZCFXAXAPE-MNOVXSKESA-N 1 3 198.310 0.755 10 0 ACAEHO C[C@H]1C[NH2+]CC[C@@H]1N[C@H](C)CN(C)C 308697071 573756809 /nfs/dbraw/zinc/75/68/09/573756809.db2.gz TZLDAWPAPDFIEF-AXFHLTTASA-N 1 3 199.342 0.524 10 0 ACAEHO CN1CC[C@H](C(=O)C[C@@H]2CCC[NH2+]2)C1 259182825 573756817 /nfs/dbraw/zinc/75/68/17/573756817.db2.gz NIGXPVRDYWYGOQ-UWVGGRQHSA-N 1 3 196.294 0.649 10 0 ACAEHO C[NH2+][C@H](C)CN1CCCN(C)[C@H](C)C1 258120953 573756839 /nfs/dbraw/zinc/75/68/39/573756839.db2.gz LTFRGUQIXYHDEG-GHMZBOCLSA-N 1 3 199.342 0.620 10 0 ACAEHO [NH3+]CCn1ccc2cnccc21 258119945 573756874 /nfs/dbraw/zinc/75/68/74/573756874.db2.gz MOEPQBRIFKSRLQ-UHFFFAOYSA-N 1 3 161.208 0.995 10 0 ACAEHO CN1CCC[C@H](NCC2(C[NH3+])CC2)C1 258914969 573757548 /nfs/dbraw/zinc/75/75/48/573757548.db2.gz MOEPEAQRBCDSNB-JTQLQIEISA-N 1 3 197.326 0.409 10 0 ACAEHO [NH3+][C@H](CNC1CC1)[C@@H]1CCOC1 258118983 573756944 /nfs/dbraw/zinc/75/69/44/573756944.db2.gz LGMDQVPZIUZSCV-VXNVDRBHSA-N 1 3 170.256 0.102 10 0 ACAEHO COC[C@@]1([C@H]2CCCC[NH2+]2)CCCN1 258120070 573757022 /nfs/dbraw/zinc/75/70/22/573757022.db2.gz ZUZJFXUYDVGBPU-GHMZBOCLSA-N 1 3 198.310 0.897 10 0 ACAEHO [NH3+][C@@H](CNC1CC1)[C@@H]1CCOC1 258118975 573757044 /nfs/dbraw/zinc/75/70/44/573757044.db2.gz LGMDQVPZIUZSCV-APPZFPTMSA-N 1 3 170.256 0.102 10 0 ACAEHO CC[N@@H+]1CC[C@@H]([C@@H](N)CN(C)C)C1 258121084 573757153 /nfs/dbraw/zinc/75/71/53/573757153.db2.gz LIORAXQSEKQLJA-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO CC[N@H+]1CC[C@@H]([C@@H](N)CN(C)C)C1 258121084 573757158 /nfs/dbraw/zinc/75/71/58/573757158.db2.gz LIORAXQSEKQLJA-ZJUUUORDSA-N 1 3 185.315 0.217 10 0 ACAEHO C[C@@H](C[NH3+])CC(=O)[C@H]1CCCN(C)C1 259182713 573757261 /nfs/dbraw/zinc/75/72/61/573757261.db2.gz NFVGPZKAKCVIRW-ZJUUUORDSA-N 1 3 198.310 0.882 10 0 ACAEHO c1cc(NCN2CC[NH2+]CC2)ccn1 258914136 573757320 /nfs/dbraw/zinc/75/73/20/573757320.db2.gz MSQWYSCGZRVXAS-UHFFFAOYSA-N 1 3 192.266 0.356 10 0 ACAEHO C[C@@H](N)[C@@H](C)[NH2+]CC1(N(C)C)CCC1 308696652 573757356 /nfs/dbraw/zinc/75/73/56/573757356.db2.gz TVDZSYIJMWYYKH-NXEZZACHSA-N 1 3 199.342 0.796 10 0 ACAEHO C[C@@H](C[NH3+])CC(=O)[C@@H]1CCCN(C)C1 259182708 573757394 /nfs/dbraw/zinc/75/73/94/573757394.db2.gz NFVGPZKAKCVIRW-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO C[C@@H](C[NH3+])C(=O)[C@@H]1CCCN(C)C1 259182813 573757417 /nfs/dbraw/zinc/75/74/17/573757417.db2.gz NIABEBJJGDFSLB-DTWKUNHWSA-N 1 3 184.283 0.492 10 0 ACAEHO CN1CCC[C@H]([NH2+]CC2(CN)CC2)C1 258914969 573757552 /nfs/dbraw/zinc/75/75/52/573757552.db2.gz MOEPEAQRBCDSNB-JTQLQIEISA-N 1 3 197.326 0.409 10 0 ACAEHO CC(C)(C)C1=[NH+][C@H]2CCNC[C@@H]2N1 258119303 573757562 /nfs/dbraw/zinc/75/75/62/573757562.db2.gz WCMHFWWABBBPAE-YUMQZZPRSA-N 1 3 181.283 0.765 10 0 ACAEHO C[C@H](C[NH3+])C(=O)[C@H]1CCCN(C)C1 259182812 573757471 /nfs/dbraw/zinc/75/74/71/573757471.db2.gz NIABEBJJGDFSLB-BDAKNGLRSA-N 1 3 184.283 0.492 10 0 ACAEHO COC[C@@H]1C[C@H](CN2CCCC2)C[NH2+]1 258120905 573757488 /nfs/dbraw/zinc/75/74/88/573757488.db2.gz IHLGACAOPRSIBZ-QWRGUYRKSA-N 1 3 198.310 0.707 10 0 ACAEHO C1CC(CNCN2CC[NH2+]CC2)C1 258928723 573768313 /nfs/dbraw/zinc/76/83/13/573768313.db2.gz ORWRZDLUFNYRLA-UHFFFAOYSA-N 1 3 183.299 0.239 10 0 ACAEHO C1CN[C@@H](C[C@H]2CC[NH2+]C2)OC1 257870418 573768369 /nfs/dbraw/zinc/76/83/69/573768369.db2.gz APUWEURBHXSETR-RKDXNWHRSA-N 1 3 170.256 0.322 10 0 ACAEHO C[C@H]1CN(C)CCN1C[C@@H]1CC[NH2+]C1 108343967 573768404 /nfs/dbraw/zinc/76/84/04/573768404.db2.gz ORPRBQDHROSWKV-WDEREUQCSA-N 1 3 197.326 0.232 10 0 ACAEHO C1CN[C@H](C[C@H]2CC[NH2+]C2)OC1 257870415 573768436 /nfs/dbraw/zinc/76/84/36/573768436.db2.gz APUWEURBHXSETR-BDAKNGLRSA-N 1 3 170.256 0.322 10 0 ACAEHO OC1(CNC[C@@H]2CCC[NH2+]C2)CCC1 131147077 573768740 /nfs/dbraw/zinc/76/87/40/573768740.db2.gz WCXQUFSPPYHPIZ-SNVBAGLBSA-N 1 3 198.310 0.491 10 0 ACAEHO CN1CCC[C@@H]1c1oncc1CC[NH3+] 257871295 573769302 /nfs/dbraw/zinc/76/93/02/573769302.db2.gz SZDDURBAHCIZAZ-SECBINFHSA-N 1 3 195.266 0.943 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCN(C)C[C@@H]1C 108338982 573769389 /nfs/dbraw/zinc/76/93/89/573769389.db2.gz XDOOMYQKAKTGMX-UWVGGRQHSA-N 1 3 185.315 0.230 10 0 ACAEHO Cc1ncsc1[C@@H]1NC[C@@H]2[C@@H]([NH3+])[C@H]12 238508582 573769409 /nfs/dbraw/zinc/76/94/09/573769409.db2.gz QEPZGPREEBRKOI-LXGUWJNJSA-N 1 3 195.291 0.669 10 0 ACAEHO Cc1ncsc1[C@@H]1[NH2+]C[C@@H]2[C@@H](N)[C@H]12 238508582 573769417 /nfs/dbraw/zinc/76/94/17/573769417.db2.gz QEPZGPREEBRKOI-LXGUWJNJSA-N 1 3 195.291 0.669 10 0 ACAEHO C[C@@H]1CN(C)CCN1C[C@@H]1CC[NH2+]C1 108343965 573769419 /nfs/dbraw/zinc/76/94/19/573769419.db2.gz ORPRBQDHROSWKV-GHMZBOCLSA-N 1 3 197.326 0.232 10 0 ACAEHO CNCNCC[C@@H]1CC[N@H+](C)C1 258933992 573769739 /nfs/dbraw/zinc/76/97/39/573769739.db2.gz SDJXKBFHNCSGIN-SECBINFHSA-N 1 3 171.288 0.095 10 0 ACAEHO CNCNCC[C@@H]1CC[N@@H+](C)C1 258933992 573769745 /nfs/dbraw/zinc/76/97/45/573769745.db2.gz SDJXKBFHNCSGIN-SECBINFHSA-N 1 3 171.288 0.095 10 0 ACAEHO Cc1nccn1CC[NH2+][C@H](C)[C@@H](C)N 308712175 573769781 /nfs/dbraw/zinc/76/97/81/573769781.db2.gz ZIGZTEOZGAOKLM-RKDXNWHRSA-N 1 3 196.298 0.517 10 0 ACAEHO Cc1nccn1CCN[C@H](C)[C@@H](C)[NH3+] 308712175 573769791 /nfs/dbraw/zinc/76/97/91/573769791.db2.gz ZIGZTEOZGAOKLM-RKDXNWHRSA-N 1 3 196.298 0.517 10 0 ACAEHO C[NH2+]C[C@H](C)N1CCN(C)C[C@H]1C 108338980 573769836 /nfs/dbraw/zinc/76/98/36/573769836.db2.gz XDOOMYQKAKTGMX-VHSXEESVSA-N 1 3 185.315 0.230 10 0 ACAEHO CN1CCC[C@H]1c1oncc1CC[NH3+] 257871296 573769925 /nfs/dbraw/zinc/76/99/25/573769925.db2.gz SZDDURBAHCIZAZ-VIFPVBQESA-N 1 3 195.266 0.943 10 0 ACAEHO C[N@@H+]1CC[C@H](C[C@H]2NCCO2)C1 258128280 573773354 /nfs/dbraw/zinc/77/33/54/573773354.db2.gz NNCLWBPSRHCECB-BDAKNGLRSA-N 1 3 170.256 0.274 10 0 ACAEHO C[N@H+]1CC[C@H](C[C@H]2NCCO2)C1 258128280 573773360 /nfs/dbraw/zinc/77/33/60/573773360.db2.gz NNCLWBPSRHCECB-BDAKNGLRSA-N 1 3 170.256 0.274 10 0 ACAEHO C[NH+]1CCC(CCNCN)CC1 258940355 573773884 /nfs/dbraw/zinc/77/38/84/573773884.db2.gz STVXEPADBSHEEP-UHFFFAOYSA-N 1 3 171.288 0.224 10 0 ACAEHO NCc1coc(CC[NH3+])c1 108366179 573775163 /nfs/dbraw/zinc/77/51/63/573775163.db2.gz BFDKJOGATNKOMJ-UHFFFAOYSA-N 1 3 140.186 0.240 10 0 ACAEHO C[N@@H+]1CC[C@@H](Cc2oncc2CN)C1 258422816 573775214 /nfs/dbraw/zinc/77/52/14/573775214.db2.gz DZRZGRWTNCLRFF-QMMMGPOBSA-N 1 3 195.266 0.628 10 0 ACAEHO C[N@H+]1CC[C@@H](Cc2oncc2CN)C1 258422816 573775218 /nfs/dbraw/zinc/77/52/18/573775218.db2.gz DZRZGRWTNCLRFF-QMMMGPOBSA-N 1 3 195.266 0.628 10 0 ACAEHO C[NH2+]CC(C)(C)N(C)[C@@H]1CCN(C)C1 258938028 573782402 /nfs/dbraw/zinc/78/24/02/573782402.db2.gz VXPFLCZOROHHIN-SNVBAGLBSA-N 1 3 199.342 0.620 10 0 ACAEHO C1C[NH2+]CC2CCN(C1)CC2 238109945 573782564 /nfs/dbraw/zinc/78/25/64/573782564.db2.gz MDPFJZXFNBRSBA-UHFFFAOYSA-N 1 3 154.257 0.692 10 0 ACAEHO C[C@](N)(C[NH3+])CNCc1ccccc1 238503540 573783858 /nfs/dbraw/zinc/78/38/58/573783858.db2.gz INTNCKHPQHWNLD-NSHDSACASA-N 1 3 193.294 0.452 10 0 ACAEHO C[C@]([NH3+])(CN)CNCc1ccccc1 238503540 573783863 /nfs/dbraw/zinc/78/38/63/573783863.db2.gz INTNCKHPQHWNLD-NSHDSACASA-N 1 3 193.294 0.452 10 0 ACAEHO C[N@@H+]1CCC[C@H](C[C@@H]2COCCN2)C1 259186655 573784491 /nfs/dbraw/zinc/78/44/91/573784491.db2.gz QWAQWLICLVMSLV-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO C[N@H+]1CCC[C@H](C[C@@H]2COCCN2)C1 259186655 573784499 /nfs/dbraw/zinc/78/44/99/573784499.db2.gz QWAQWLICLVMSLV-GHMZBOCLSA-N 1 3 198.310 0.707 10 0 ACAEHO CO[C@@H]1CN(C/C=C\C[NH3+])CC[C@@H]1C 308432378 573784156 /nfs/dbraw/zinc/78/41/56/573784156.db2.gz FSHMQPOBYMFZBC-CBZSPVTBSA-N 1 3 198.310 0.858 10 0 ACAEHO CC(C)CCC[N@H+](C)C[C@@H](N)CN 259189534 573787369 /nfs/dbraw/zinc/78/73/69/573787369.db2.gz WNJRFPSHIPOCED-JTQLQIEISA-N 1 3 187.331 0.640 10 0 ACAEHO CC(C)CCC[N@@H+](C)C[C@@H](N)CN 259189534 573787373 /nfs/dbraw/zinc/78/73/73/573787373.db2.gz WNJRFPSHIPOCED-JTQLQIEISA-N 1 3 187.331 0.640 10 0 ACAEHO CC(C)CCCN(C)C[C@@H](N)C[NH3+] 259189534 573787378 /nfs/dbraw/zinc/78/73/78/573787378.db2.gz WNJRFPSHIPOCED-JTQLQIEISA-N 1 3 187.331 0.640 10 0 ACAEHO C[C@H](NCCC[NH+](C)C)[C@@H](C)O 87127015 573787549 /nfs/dbraw/zinc/78/75/49/573787549.db2.gz MOPFYIWSIQWSDE-DTWKUNHWSA-N 1 3 174.288 0.297 10 0 ACAEHO CCCC[N@@H+]1CCN[C@H](CN)C1 259185686 573787561 /nfs/dbraw/zinc/78/75/61/573787561.db2.gz HTIULADMRYLGEN-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO CCCC[N@H+]1CCN[C@H](CN)C1 259185686 573787568 /nfs/dbraw/zinc/78/75/68/573787568.db2.gz HTIULADMRYLGEN-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO CCCCN1CCN[C@H](C[NH3+])C1 259185686 573787575 /nfs/dbraw/zinc/78/75/75/573787575.db2.gz HTIULADMRYLGEN-SECBINFHSA-N 1 3 171.288 0.019 10 0 ACAEHO CC(C)(CO)C[N@@H+]1CC[C@@H](N)C1 238113368 573787749 /nfs/dbraw/zinc/78/77/49/573787749.db2.gz FTONSRVKQWKCRT-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)(CO)C[N@H+]1CC[C@@H](N)C1 238113368 573787758 /nfs/dbraw/zinc/78/77/58/573787758.db2.gz FTONSRVKQWKCRT-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO C[C@H]1SCC[C@H]1[NH2+]CCCN 235650470 573787834 /nfs/dbraw/zinc/78/78/34/573787834.db2.gz KBNWLRDGMXRGIG-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO C[C@H]1SCC[C@H]1NCCC[NH3+] 235650470 573787841 /nfs/dbraw/zinc/78/78/41/573787841.db2.gz KBNWLRDGMXRGIG-HTQZYQBOSA-N 1 3 174.313 0.819 10 0 ACAEHO CC[C@H](CN)[C@@H](CC)[NH2+]C 259189472 573794276 /nfs/dbraw/zinc/79/42/76/573794276.db2.gz KHPBDGCCZHWCCI-HTQZYQBOSA-N 1 3 144.262 0.969 10 0 ACAEHO CC[C@H]([NH2+]C)[C@H](CC)CN 259189476 573794456 /nfs/dbraw/zinc/79/44/56/573794456.db2.gz KHPBDGCCZHWCCI-SFYZADRCSA-N 1 3 144.262 0.969 10 0 ACAEHO c1cc([C@H]2CNC[C@]23CC[NH2+]C3)co1 238119979 573794703 /nfs/dbraw/zinc/79/47/03/573794703.db2.gz CKHHTWBFXKEFCU-GHMZBOCLSA-N 1 3 192.262 0.946 10 0 ACAEHO C[C@H](C[NH3+])C1=CCN(C)CC1 78196127 573794797 /nfs/dbraw/zinc/79/47/97/573794797.db2.gz HYZYJYLVRQCDAU-MRVPVSSYSA-N 1 3 154.257 0.843 10 0 ACAEHO CNCc1cnn([C@H]2CCC[NH2+]C2)c1 257878185 573794855 /nfs/dbraw/zinc/79/48/55/573794855.db2.gz UYHVPXJRERODSO-JTQLQIEISA-N 1 3 194.282 0.527 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@H+](C)C1CCNCC1 87140369 573795136 /nfs/dbraw/zinc/79/51/36/573795136.db2.gz SNJBSSOUGCNAOF-BDAKNGLRSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@H](O)[C@@H](C)[N@@H+](C)C1CCNCC1 87140369 573795142 /nfs/dbraw/zinc/79/51/42/573795142.db2.gz SNJBSSOUGCNAOF-BDAKNGLRSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@H](O)[C@@H](C)N(C)C1CC[NH2+]CC1 87140369 573795145 /nfs/dbraw/zinc/79/51/45/573795145.db2.gz SNJBSSOUGCNAOF-BDAKNGLRSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@@H]([NH3+])CC(=O)[C@@H]1CCN(C)C1 259190404 573795147 /nfs/dbraw/zinc/79/51/47/573795147.db2.gz NUWGFPCIYSADPU-HTQZYQBOSA-N 1 3 170.256 0.245 10 0 ACAEHO Cn1nc([C@H]2CCC[NH2+]2)cc1CN 259191521 573795189 /nfs/dbraw/zinc/79/51/89/573795189.db2.gz KENWMNMMJCTFQP-MRVPVSSYSA-N 1 3 180.255 0.303 10 0 ACAEHO C1CCN2[C@H]3CC[NH2+]C[C@H]3NC[C@H]2C1 238104647 573795204 /nfs/dbraw/zinc/79/52/04/573795204.db2.gz XZDXVPWSIYWGCU-MXWKQRLJSA-N 1 3 195.310 0.175 10 0 ACAEHO C[C@@H](O)[C@@H](C)[N@H+](C)C1CCNCC1 87140364 573795290 /nfs/dbraw/zinc/79/52/90/573795290.db2.gz SNJBSSOUGCNAOF-RKDXNWHRSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@@H](O)[C@@H](C)[N@@H+](C)C1CCNCC1 87140364 573795299 /nfs/dbraw/zinc/79/52/99/573795299.db2.gz SNJBSSOUGCNAOF-RKDXNWHRSA-N 1 3 186.299 0.440 10 0 ACAEHO C[C@@H](O)[C@@H](C)N(C)C1CC[NH2+]CC1 87140364 573795305 /nfs/dbraw/zinc/79/53/05/573795305.db2.gz SNJBSSOUGCNAOF-RKDXNWHRSA-N 1 3 186.299 0.440 10 0 ACAEHO [NH3+][C@H](C[C@@H]1CNCCO1)C1CCC1 259189077 573795457 /nfs/dbraw/zinc/79/54/57/573795457.db2.gz DAOLVAUOORACSM-NXEZZACHSA-N 1 3 184.283 0.492 10 0 ACAEHO NCc1cnc(C[C@@H]2CC[NH2+]C2)s1 257878271 573795460 /nfs/dbraw/zinc/79/54/60/573795460.db2.gz ACDXKTWFLCUIRK-ZETCQYMHSA-N 1 3 197.307 0.754 10 0 ACAEHO C[C@@H]([C@@H](C)O)[N@H+]1C[C@@H](N)C[C@@H](C)C1 87141193 573795474 /nfs/dbraw/zinc/79/54/74/573795474.db2.gz JIBOOMVMOVAYAV-RGOKHQFPSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@@H]([C@@H](C)O)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87141193 573795478 /nfs/dbraw/zinc/79/54/78/573795478.db2.gz JIBOOMVMOVAYAV-RGOKHQFPSA-N 1 3 186.299 0.425 10 0 ACAEHO C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN 84215969 573796124 /nfs/dbraw/zinc/79/61/24/573796124.db2.gz KYVSODRHGZXWJY-AEJSXWLSSA-N 1 3 186.299 0.474 10 0 ACAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN 84214370 573796229 /nfs/dbraw/zinc/79/62/29/573796229.db2.gz GMDIQBPMHPCNRP-HTQZYQBOSA-N 1 3 142.246 0.723 10 0 ACAEHO COCC[N@H+](C[C@H](C)N)C(C)C 131234571 573796238 /nfs/dbraw/zinc/79/62/38/573796238.db2.gz BMIGCCMEQSIOMN-VIFPVBQESA-N 1 3 174.288 0.690 10 0 ACAEHO COCC[N@@H+](C[C@H](C)N)C(C)C 131234571 573796241 /nfs/dbraw/zinc/79/62/41/573796241.db2.gz BMIGCCMEQSIOMN-VIFPVBQESA-N 1 3 174.288 0.690 10 0 ACAEHO Cn1ccnc1N[C@@H]1CCC[C@H]1C[NH3+] 84212819 573796269 /nfs/dbraw/zinc/79/62/69/573796269.db2.gz WSSZRBZFBNNGQL-DTWKUNHWSA-N 1 3 194.282 0.959 10 0 ACAEHO Cn1ccnc1NC[C@H]1CCC[C@@H]1[NH3+] 84235605 573804445 /nfs/dbraw/zinc/80/44/45/573804445.db2.gz KDSSLJWXWPMZBC-BDAKNGLRSA-N 1 3 194.282 0.959 10 0 ACAEHO CC[C@@H](C[NH3+])C(=O)[C@H]1CCCN(C)C1 259191744 573804462 /nfs/dbraw/zinc/80/44/62/573804462.db2.gz RETKATRCPGEHFE-UWVGGRQHSA-N 1 3 198.310 0.882 10 0 ACAEHO COCC[N@@H+]1CC[C@@H](CN)[C@H]1C 259571226 573803802 /nfs/dbraw/zinc/80/38/02/573803802.db2.gz YPZPIYKERWDPFK-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@H+]1CC[C@@H](CN)[C@H]1C 259571226 573803808 /nfs/dbraw/zinc/80/38/08/573803808.db2.gz YPZPIYKERWDPFK-BDAKNGLRSA-N 1 3 172.272 0.302 10 0 ACAEHO CC[C@H](C[NH3+])C(=O)[C@@H]1CCCN(C)C1 259191740 573803893 /nfs/dbraw/zinc/80/38/93/573803893.db2.gz RETKATRCPGEHFE-NXEZZACHSA-N 1 3 198.310 0.882 10 0 ACAEHO CC(C)C[C@@H](N)C1C[NH2+]C1 259193226 573803913 /nfs/dbraw/zinc/80/39/13/573803913.db2.gz FSNZRBWZRPVRRM-MRVPVSSYSA-N 1 3 142.246 0.579 10 0 ACAEHO NCc1cnoc1[C@H]1CC[NH2+]C1 258428119 573803941 /nfs/dbraw/zinc/80/39/41/573803941.db2.gz CRCNEKODWZPULP-LURJTMIESA-N 1 3 167.212 0.210 10 0 ACAEHO C[C@H](C[NH3+])CN(C)CCCCO 43445253 573803969 /nfs/dbraw/zinc/80/39/69/573803969.db2.gz GZUKJKULKVNRMB-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@H](CN)C[N@H+](C)CCCCO 43445253 573803971 /nfs/dbraw/zinc/80/39/71/573803971.db2.gz GZUKJKULKVNRMB-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@H](CN)C[N@@H+](C)CCCCO 43445253 573803979 /nfs/dbraw/zinc/80/39/79/573803979.db2.gz GZUKJKULKVNRMB-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO C[C@H]1CN(C)CCN1[C@H](C)CC(N)=[NH2+] 235650199 573804036 /nfs/dbraw/zinc/80/40/36/573804036.db2.gz MAWSOZKIAVYKER-BDAKNGLRSA-N 1 3 198.314 0.337 10 0 ACAEHO OCCCC[N@@H+]1CCCNCC1 43444770 573804078 /nfs/dbraw/zinc/80/40/78/573804078.db2.gz URVNERQINJCLBB-UHFFFAOYSA-N 1 3 172.272 0.054 10 0 ACAEHO OCCCC[N@H+]1CCCNCC1 43444770 573804081 /nfs/dbraw/zinc/80/40/81/573804081.db2.gz URVNERQINJCLBB-UHFFFAOYSA-N 1 3 172.272 0.054 10 0 ACAEHO Cn1ccnc1NC[C@@H]1CCC[C@@H]1[NH3+] 84235600 573804411 /nfs/dbraw/zinc/80/44/11/573804411.db2.gz KDSSLJWXWPMZBC-IUCAKERBSA-N 1 3 194.282 0.959 10 0 ACAEHO CN(C)CCN1C[C@@H]([NH3+])CC1(C)C 259571209 573805207 /nfs/dbraw/zinc/80/52/07/573805207.db2.gz YPPYTBUAYUZLSW-VIFPVBQESA-N 1 3 185.315 0.360 10 0 ACAEHO Cn1ccnc1NC[C@H]1CCC[C@H]1[NH3+] 84235612 573805221 /nfs/dbraw/zinc/80/52/21/573805221.db2.gz KDSSLJWXWPMZBC-RKDXNWHRSA-N 1 3 194.282 0.959 10 0 ACAEHO CC(C)(N)C[NH2+]Cc1cc[nH]c1 258959355 573805271 /nfs/dbraw/zinc/80/52/71/573805271.db2.gz XOGVAAISIMXOOB-UHFFFAOYSA-N 1 3 167.256 0.842 10 0 ACAEHO COCCN1CC[C@H](C[NH3+])[C@@H]1C 259571228 573805289 /nfs/dbraw/zinc/80/52/89/573805289.db2.gz YPZPIYKERWDPFK-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@@H+]1CC[C@H](CN)[C@@H]1C 259571228 573805293 /nfs/dbraw/zinc/80/52/93/573805293.db2.gz YPZPIYKERWDPFK-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@H+]1CC[C@H](CN)[C@@H]1C 259571228 573805300 /nfs/dbraw/zinc/80/53/00/573805300.db2.gz YPZPIYKERWDPFK-DTWKUNHWSA-N 1 3 172.272 0.302 10 0 ACAEHO Cn1ccnc1NC[C@@H]1CCC[C@H]1[NH3+] 84235609 573804694 /nfs/dbraw/zinc/80/46/94/573804694.db2.gz KDSSLJWXWPMZBC-DTWKUNHWSA-N 1 3 194.282 0.959 10 0 ACAEHO CNCN(C)CC1CC[NH+](C)CC1 258958316 573804773 /nfs/dbraw/zinc/80/47/73/573804773.db2.gz VOJIBDFPYDBBRK-UHFFFAOYSA-N 1 3 185.315 0.437 10 0 ACAEHO CCN(CCCO)C[C@H](C)C[NH3+] 43444103 573804783 /nfs/dbraw/zinc/80/47/83/573804783.db2.gz PJWOITNRYOJESF-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO CC[N@H+](CCCO)C[C@H](C)CN 43444103 573804787 /nfs/dbraw/zinc/80/47/87/573804787.db2.gz PJWOITNRYOJESF-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO CC[N@@H+](CCCO)C[C@H](C)CN 43444103 573804793 /nfs/dbraw/zinc/80/47/93/573804793.db2.gz PJWOITNRYOJESF-SECBINFHSA-N 1 3 174.288 0.286 10 0 ACAEHO COCCN1CC[C@@H](C[NH3+])[C@@H]1C 259571230 573804916 /nfs/dbraw/zinc/80/49/16/573804916.db2.gz YPZPIYKERWDPFK-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@@H+]1CC[C@@H](CN)[C@@H]1C 259571230 573804917 /nfs/dbraw/zinc/80/49/17/573804917.db2.gz YPZPIYKERWDPFK-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@H+]1CC[C@@H](CN)[C@@H]1C 259571230 573804918 /nfs/dbraw/zinc/80/49/18/573804918.db2.gz YPZPIYKERWDPFK-IUCAKERBSA-N 1 3 172.272 0.302 10 0 ACAEHO CN1C[C@H]2C[NH2+]C[C@H]2C1(C)C 84248190 573805041 /nfs/dbraw/zinc/80/50/41/573805041.db2.gz MUFSVXMAMFSAOG-HTQZYQBOSA-N 1 3 154.257 0.546 10 0 ACAEHO O[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)CC1 258136042 573805047 /nfs/dbraw/zinc/80/50/47/573805047.db2.gz QPOSTFYFBPLCCE-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO CN(CN1CC[NH2+]CC1)C(C)(C)C 258957721 573805107 /nfs/dbraw/zinc/80/51/07/573805107.db2.gz SIMMLRFQXCMWKZ-UHFFFAOYSA-N 1 3 185.315 0.579 10 0 ACAEHO CC[C@@H](NC[C@@H](C)N(C)C)C1C[NH2+]C1 716193610 573805186 /nfs/dbraw/zinc/80/51/86/573805186.db2.gz LGGMQMZTORVNHJ-MWLCHTKSSA-N 1 3 199.342 0.524 10 0 ACAEHO [NH3+]CCCN(CCCO)C1CC1 43444070 573805205 /nfs/dbraw/zinc/80/52/05/573805205.db2.gz BIGNPRZXCABONA-UHFFFAOYSA-N 1 3 172.272 0.182 10 0 ACAEHO NC[C@H](C[NH2+]C1CCC1)[C@@H]1CCOC1 258136296 573807003 /nfs/dbraw/zinc/80/70/03/573807003.db2.gz MCZCIUVMIQFGFO-NXEZZACHSA-N 1 3 198.310 0.740 10 0 ACAEHO CCn1c(C[NH2+]C)cnc1N 258137031 573807048 /nfs/dbraw/zinc/80/70/48/573807048.db2.gz KPNQLJUAOSIQOA-UHFFFAOYSA-N 1 3 154.217 0.205 10 0 ACAEHO C[C@H](CCN)[N@H+](C)C1CCOCC1 41042654 573807055 /nfs/dbraw/zinc/80/70/55/573807055.db2.gz QUTBKFFZYMOTOH-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO CCn1c(CNC)c[nH+]c1N 258137031 573807056 /nfs/dbraw/zinc/80/70/56/573807056.db2.gz KPNQLJUAOSIQOA-UHFFFAOYSA-N 1 3 154.217 0.205 10 0 ACAEHO C[C@H](CCN)[N@@H+](C)C1CCOCC1 41042654 573807064 /nfs/dbraw/zinc/80/70/64/573807064.db2.gz QUTBKFFZYMOTOH-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](CC[NH3+])N(C)C1CCOCC1 41042654 573807070 /nfs/dbraw/zinc/80/70/70/573807070.db2.gz QUTBKFFZYMOTOH-SECBINFHSA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H](CCN)[N@@H+]1CCC[C@H](CO)C1 41042650 573807175 /nfs/dbraw/zinc/80/71/75/573807175.db2.gz AJVXTXAMRSINRI-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CCN)[N@H+]1CCC[C@H](CO)C1 41042650 573807179 /nfs/dbraw/zinc/80/71/79/573807179.db2.gz AJVXTXAMRSINRI-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO C[C@H](CC[NH3+])N1CCC[C@H](CO)C1 41042650 573807186 /nfs/dbraw/zinc/80/71/86/573807186.db2.gz AJVXTXAMRSINRI-ZJUUUORDSA-N 1 3 186.299 0.428 10 0 ACAEHO CC(C)N1CCN([C@@H](C)CC[NH3+])CC1 41042629 573807399 /nfs/dbraw/zinc/80/73/99/573807399.db2.gz VEFFAPCHOIZAEI-NSHDSACASA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@H](O)C[NH2+]CCNc1ccncc1 127271971 573807437 /nfs/dbraw/zinc/80/74/37/573807437.db2.gz IEHVEROVHRBYGC-VIFPVBQESA-N 1 3 195.266 0.464 10 0 ACAEHO C[C@@H](O)C[NH2+]CCNc1ccncc1 127272235 573807471 /nfs/dbraw/zinc/80/74/71/573807471.db2.gz IEHVEROVHRBYGC-SECBINFHSA-N 1 3 195.266 0.464 10 0 ACAEHO C[C@@H]([NH3+])c1cc(CN)n(C)c1 258429996 573807534 /nfs/dbraw/zinc/80/75/34/573807534.db2.gz CSTSUDPNNQFNKH-ZCFIWIBFSA-N 1 3 153.229 0.504 10 0 ACAEHO C[NH+]1CCC(C(C)(C)CNCN)CC1 258959937 573807592 /nfs/dbraw/zinc/80/75/92/573807592.db2.gz VQSYLJXHQXMMNW-UHFFFAOYSA-N 1 3 199.342 0.860 10 0 ACAEHO NC[C@H](C[NH2+]C1CCC1)[C@H]1CCOC1 258136298 573807600 /nfs/dbraw/zinc/80/76/00/573807600.db2.gz MCZCIUVMIQFGFO-VHSXEESVSA-N 1 3 198.310 0.740 10 0 ACAEHO C[C@H]([NH3+])c1cc(CN)n(C)c1 258429985 573807735 /nfs/dbraw/zinc/80/77/35/573807735.db2.gz CSTSUDPNNQFNKH-LURJTMIESA-N 1 3 153.229 0.504 10 0 ACAEHO NC[C@@H](C[NH2+]C1CCC1)[C@H]1CCOC1 258136297 573808024 /nfs/dbraw/zinc/80/80/24/573808024.db2.gz MCZCIUVMIQFGFO-UWVGGRQHSA-N 1 3 198.310 0.740 10 0 ACAEHO F[C@@H]1CNC[C@@H](C2C[NH2+]C2)C1 238529691 573808273 /nfs/dbraw/zinc/80/82/73/573808273.db2.gz ORVPAKFDEZXTTP-XPUUQOCRSA-N 1 3 158.220 0.153 10 0 ACAEHO CN1CC[C@H](c2c[nH]c(CC[NH3+])n2)C1 259195678 573810981 /nfs/dbraw/zinc/81/09/81/573810981.db2.gz XFLNISOOEAVPHL-QMMMGPOBSA-N 1 3 194.282 0.330 10 0 ACAEHO Cc1ccc(C)c([C@H]([NH3+])[C@@H](O)CN)c1 259622150 573810289 /nfs/dbraw/zinc/81/02/89/573810289.db2.gz XYORPKJDYLSLCJ-QWRGUYRKSA-N 1 3 194.278 0.623 10 0 ACAEHO F[C@@H]1CNC[C@@H](C2CC[NH2+]CC2)C1 238529663 573810337 /nfs/dbraw/zinc/81/03/37/573810337.db2.gz HWNLCGRQIXPIHI-UWVGGRQHSA-N 1 3 186.274 0.934 10 0 ACAEHO NC[C@@H](C[NH2+]C1CCC1)[C@@H]1CCOC1 258136299 573810393 /nfs/dbraw/zinc/81/03/93/573810393.db2.gz MCZCIUVMIQFGFO-ZJUUUORDSA-N 1 3 198.310 0.740 10 0 ACAEHO CN1CCN(C)[C@H]([C@H]2CC[N@H+](C)C2)C1 258960884 573810468 /nfs/dbraw/zinc/81/04/68/573810468.db2.gz CAOZBMDAWHTOMT-QWRGUYRKSA-N 1 3 197.326 0.184 10 0 ACAEHO CN1CCN(C)[C@H]([C@H]2CC[N@@H+](C)C2)C1 258960884 573810474 /nfs/dbraw/zinc/81/04/74/573810474.db2.gz CAOZBMDAWHTOMT-QWRGUYRKSA-N 1 3 197.326 0.184 10 0 ACAEHO CC(C)(C)[C@H](N)C1C[NH2+]C1 259196239 573810510 /nfs/dbraw/zinc/81/05/10/573810510.db2.gz FWXPACJDBSHHRJ-SSDOTTSWSA-N 1 3 142.246 0.579 10 0 ACAEHO F[C@@H]1CNC[C@H](C2CC[NH2+]CC2)C1 238529768 573810581 /nfs/dbraw/zinc/81/05/81/573810581.db2.gz HWNLCGRQIXPIHI-ZJUUUORDSA-N 1 3 186.274 0.934 10 0 ACAEHO CCC[C@@H]([NH3+])C1(CN)CC1 259622058 573810811 /nfs/dbraw/zinc/81/08/11/573810811.db2.gz XYJFGTNVAQPDDQ-SSDOTTSWSA-N 1 3 142.246 0.853 10 0 ACAEHO CCC[C@@H](C)NC[C@@]1(O)CC[NH2+]C1 393591323 573813803 /nfs/dbraw/zinc/81/38/03/573813803.db2.gz QZWRJHBBQBGMDA-NXEZZACHSA-N 1 3 186.299 0.489 10 0 ACAEHO OC[C@H]1C[C@@H](CN2CCCCC2)C[NH2+]1 258140688 573814223 /nfs/dbraw/zinc/81/42/23/573814223.db2.gz JQHOEPGDKDQEQS-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO [NH3+]CCc1coc([C@@H]2CCCN2)n1 257881407 573814235 /nfs/dbraw/zinc/81/42/35/573814235.db2.gz AIUFIJAIBFFPKF-QMMMGPOBSA-N 1 3 181.239 0.600 10 0 ACAEHO Cc1cc([C@H]([NH3+])[C@H](O)CN)ccc1F 259198654 573814457 /nfs/dbraw/zinc/81/44/57/573814457.db2.gz DHXHAKWHKSIQOC-ZJUUUORDSA-N 1 3 198.241 0.454 10 0 ACAEHO CC[N@H+](C)C[C@@H](O)CNCCCF 393592770 573823422 /nfs/dbraw/zinc/82/34/22/573823422.db2.gz YASDLWPIRWUNPS-VIFPVBQESA-N 1 3 192.278 0.248 10 0 ACAEHO CC[N@@H+](C)C[C@@H](O)CNCCCF 393592770 573823423 /nfs/dbraw/zinc/82/34/23/573823423.db2.gz YASDLWPIRWUNPS-VIFPVBQESA-N 1 3 192.278 0.248 10 0 ACAEHO CN1CC[C@@H](C(=O)[C@H]2CCCC[NH2+]2)C1 259203869 573823453 /nfs/dbraw/zinc/82/34/53/573823453.db2.gz OUNNUPXEMBCLCB-NXEZZACHSA-N 1 3 196.294 0.649 10 0 ACAEHO C[NH2+]CCc1coc([C@@H]2CCCN2)n1 257884541 573823736 /nfs/dbraw/zinc/82/37/36/573823736.db2.gz AOILBKFHJYUQAY-VIFPVBQESA-N 1 3 195.266 0.861 10 0 ACAEHO NC[C@H](F)C[C@@H]1CC[NH2+]C1 258431821 573826194 /nfs/dbraw/zinc/82/61/94/573826194.db2.gz DBFXBZITJJHPBS-NKWVEPMBSA-N 1 3 146.209 0.283 10 0 ACAEHO CC(C)N(CC[NH3+])CCN(C)C 41056336 573826471 /nfs/dbraw/zinc/82/64/71/573826471.db2.gz LWSAVZPUMYSOPE-UHFFFAOYSA-N 1 3 173.304 0.217 10 0 ACAEHO Cc1nc(CN)[nH]c1[C@H]1CCC[N@H+]1C 258143417 573830220 /nfs/dbraw/zinc/83/02/20/573830220.db2.gz RFKRGRPMYDJRLY-MRVPVSSYSA-N 1 3 194.282 0.944 10 0 ACAEHO Cc1nc(CN)[nH]c1[C@H]1CCC[N@@H+]1C 258143417 573830223 /nfs/dbraw/zinc/83/02/23/573830223.db2.gz RFKRGRPMYDJRLY-MRVPVSSYSA-N 1 3 194.282 0.944 10 0 ACAEHO CN(C)CCO[C@H]1CCC[C@@H]1[NH3+] 131383649 573830314 /nfs/dbraw/zinc/83/03/14/573830314.db2.gz CIUAGQPNBDHGIF-IUCAKERBSA-N 1 3 172.272 0.444 10 0 ACAEHO C[C@H](CN1CCOCC1)CC1([NH3+])CC1 258143457 573830448 /nfs/dbraw/zinc/83/04/48/573830448.db2.gz RGCQWUNBHFNKJF-JTQLQIEISA-N 1 3 198.310 0.836 10 0 ACAEHO CN(C)[C@H](CCO)[C@H]1CC[N@H+](C)C1 259573346 573830497 /nfs/dbraw/zinc/83/04/97/573830497.db2.gz PHSLTJBEGPBSJH-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@H](CCO)[C@H]1CC[N@@H+](C)C1 259573346 573830500 /nfs/dbraw/zinc/83/05/00/573830500.db2.gz PHSLTJBEGPBSJH-VHSXEESVSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)CCO[C@H]1CCC[C@H]1[NH3+] 131383992 573830649 /nfs/dbraw/zinc/83/06/49/573830649.db2.gz CIUAGQPNBDHGIF-BDAKNGLRSA-N 1 3 172.272 0.444 10 0 ACAEHO CN(C)CC[C@@H]([NH3+])C1CC1 84327752 573830788 /nfs/dbraw/zinc/83/07/88/573830788.db2.gz MGXHFNUXKAFRDF-MRVPVSSYSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[N@@H+]1CC[C@H](C[C@H]2NCCO2)C1 258144002 573831135 /nfs/dbraw/zinc/83/11/35/573831135.db2.gz OVPASZWKKHBFLL-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO CC(=O)CNCC[C@@H]1CC[N@@H+](C)C1 258965018 573831136 /nfs/dbraw/zinc/83/11/36/573831136.db2.gz UBYOSZNTPFMYID-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO CC(=O)CNCC[C@@H]1CC[N@H+](C)C1 258965018 573831142 /nfs/dbraw/zinc/83/11/42/573831142.db2.gz UBYOSZNTPFMYID-SNVBAGLBSA-N 1 3 184.283 0.507 10 0 ACAEHO CC[N@H+]1CC[C@H](C[C@H]2NCCO2)C1 258144002 573831143 /nfs/dbraw/zinc/83/11/43/573831143.db2.gz OVPASZWKKHBFLL-ZJUUUORDSA-N 1 3 184.283 0.664 10 0 ACAEHO C[C@@H](CN1CCOCC1)CC1([NH3+])CC1 258143480 573831637 /nfs/dbraw/zinc/83/16/37/573831637.db2.gz RGCQWUNBHFNKJF-SNVBAGLBSA-N 1 3 198.310 0.836 10 0 ACAEHO CC[N@@H+]1CC[C@@H](C[C@H]2NCCO2)C1 258143934 573831930 /nfs/dbraw/zinc/83/19/30/573831930.db2.gz OVPASZWKKHBFLL-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO CC[N@H+]1CC[C@@H](C[C@H]2NCCO2)C1 258143934 573831933 /nfs/dbraw/zinc/83/19/33/573831933.db2.gz OVPASZWKKHBFLL-UWVGGRQHSA-N 1 3 184.283 0.664 10 0 ACAEHO CN(C)[C@@H](CCO)[C@@H]1CC[N@H+](C)C1 259573349 573832281 /nfs/dbraw/zinc/83/22/81/573832281.db2.gz PHSLTJBEGPBSJH-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO CN(C)[C@@H](CCO)[C@@H]1CC[N@@H+](C)C1 259573349 573832287 /nfs/dbraw/zinc/83/22/87/573832287.db2.gz PHSLTJBEGPBSJH-ZJUUUORDSA-N 1 3 186.299 0.251 10 0 ACAEHO CC[N@@H+]1CC[C@H](C[C@@H]2NCCO2)C1 258143929 573832494 /nfs/dbraw/zinc/83/24/94/573832494.db2.gz OVPASZWKKHBFLL-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO CC[N@H+]1CC[C@H](C[C@@H]2NCCO2)C1 258143929 573832500 /nfs/dbraw/zinc/83/25/00/573832500.db2.gz OVPASZWKKHBFLL-NXEZZACHSA-N 1 3 184.283 0.664 10 0 ACAEHO CC(C)[N@@H+]1CCC=C(CN)C1 258141920 573832590 /nfs/dbraw/zinc/83/25/90/573832590.db2.gz QODKRZCNBQGRAB-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO CC(C)[N@H+]1CCC=C(CN)C1 258141920 573832600 /nfs/dbraw/zinc/83/26/00/573832600.db2.gz QODKRZCNBQGRAB-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO CC(C)N1CCC=C(C[NH3+])C1 258141920 573832604 /nfs/dbraw/zinc/83/26/04/573832604.db2.gz QODKRZCNBQGRAB-UHFFFAOYSA-N 1 3 154.257 0.986 10 0 ACAEHO C[N@H+](C[C@@H](N)[C@@H]1CCOC1)C1CCC1 127345842 573835281 /nfs/dbraw/zinc/83/52/81/573835281.db2.gz YRJZCASSTWNGFT-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](C[C@@H](N)[C@@H]1CCOC1)C1CCC1 127345842 573835286 /nfs/dbraw/zinc/83/52/86/573835286.db2.gz YRJZCASSTWNGFT-MWLCHTKSSA-N 1 3 198.310 0.835 10 0 ACAEHO CC(C)(C)OCCNC1CC([NH3+])C1 308756953 573837511 /nfs/dbraw/zinc/83/75/11/573837511.db2.gz WUEKCHKMPBSTPC-UHFFFAOYSA-N 1 3 186.299 0.881 10 0 ACAEHO CC[C@H](C[C@H]1CN(C)CCN1)[NH+](C)C 259573598 573837516 /nfs/dbraw/zinc/83/75/16/573837516.db2.gz PKHXWTWMSZLMDJ-WDEREUQCSA-N 1 3 199.342 0.620 10 0 ACAEHO C[N@H+](C[C@H](N)[C@@H]1CCOC1)C1CCC1 127345582 573837582 /nfs/dbraw/zinc/83/75/82/573837582.db2.gz YRJZCASSTWNGFT-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+](C[C@H](N)[C@@H]1CCOC1)C1CCC1 127345582 573837585 /nfs/dbraw/zinc/83/75/85/573837585.db2.gz YRJZCASSTWNGFT-KOLCDFICSA-N 1 3 198.310 0.835 10 0 ACAEHO c1cc(CCNC[C@@H]2CC[NH2+]C2)c[nH]1 258968314 573841977 /nfs/dbraw/zinc/84/19/77/573841977.db2.gz SZORBLGMUBIATI-NSHDSACASA-N 1 3 193.294 0.756 10 0 ACAEHO CNCc1cnc([C@H]2CC[N@H+](C)C2)o1 257886054 573842057 /nfs/dbraw/zinc/84/20/57/573842057.db2.gz AQRVGANTLSXFNO-QMMMGPOBSA-N 1 3 195.266 0.813 10 0 ACAEHO CNCc1cnc([C@H]2CC[N@@H+](C)C2)o1 257886054 573842063 /nfs/dbraw/zinc/84/20/63/573842063.db2.gz AQRVGANTLSXFNO-QMMMGPOBSA-N 1 3 195.266 0.813 10 0 ACAEHO C[C@@H]1C[NH2+]CCN([C@H]2CCCCN2)C1 258160434 573846601 /nfs/dbraw/zinc/84/66/01/573846601.db2.gz NRNFNLMBMWHPBZ-MNOVXSKESA-N 1 3 197.326 0.627 10 0 ACAEHO [NH3+][C@@H](CNC1CCC1)C1CCOCC1 258158298 573846754 /nfs/dbraw/zinc/84/67/54/573846754.db2.gz NIIDWNMOYKZVAI-NSHDSACASA-N 1 3 198.310 0.882 10 0 ACAEHO CC1(C)CC[N@H+](C[C@H](O)CN)C1 87251976 573847066 /nfs/dbraw/zinc/84/70/66/573847066.db2.gz TVIGEIMSFHHEJN-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC1(C)CC[N@@H+](C[C@H](O)CN)C1 87251976 573847074 /nfs/dbraw/zinc/84/70/74/573847074.db2.gz TVIGEIMSFHHEJN-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC1(C)CCN(C[C@H](O)C[NH3+])C1 87251976 573847078 /nfs/dbraw/zinc/84/70/78/573847078.db2.gz TVIGEIMSFHHEJN-MRVPVSSYSA-N 1 3 172.272 0.038 10 0 ACAEHO CC[N@@H+]1CCC[C@@](CNC)(OC)C1 257888145 573847405 /nfs/dbraw/zinc/84/74/05/573847405.db2.gz MYHDHUOZQPZAGU-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO CC[N@H+]1CCC[C@@](CNC)(OC)C1 257888145 573847410 /nfs/dbraw/zinc/84/74/10/573847410.db2.gz MYHDHUOZQPZAGU-JTQLQIEISA-N 1 3 186.299 0.707 10 0 ACAEHO C[C@H]1C[NH2+]CCN([C@H]2CCCCN2)C1 258160438 573847419 /nfs/dbraw/zinc/84/74/19/573847419.db2.gz NRNFNLMBMWHPBZ-QWRGUYRKSA-N 1 3 197.326 0.627 10 0 ACAEHO CC1([NH3+])CN(c2ccncc2)C1 84354189 573847475 /nfs/dbraw/zinc/84/74/75/573847475.db2.gz AAXFOBJPBVMRGB-UHFFFAOYSA-N 1 3 163.224 0.619 10 0 ACAEHO C[C@]1(C[NH2+]C2CCNCC2)CCCO1 87233923 573847643 /nfs/dbraw/zinc/84/76/43/573847643.db2.gz NGOURAVKPAGTOK-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO C[C@]1(CNC2CC[NH2+]CC2)CCCO1 87233923 573847650 /nfs/dbraw/zinc/84/76/50/573847650.db2.gz NGOURAVKPAGTOK-LLVKDONJSA-N 1 3 198.310 0.897 10 0 ACAEHO CC(C)[C@@H]1NCCc2[nH+]c(N)[nH]c21 238168803 573859354 /nfs/dbraw/zinc/85/93/54/573859354.db2.gz MWCNKCBFHHVTLZ-ZETCQYMHSA-N 1 3 180.255 0.835 10 0 ACAEHO [NH3+]CC[C@@]1(N2CCCCC2)CCOC1 84362543 573858940 /nfs/dbraw/zinc/85/89/40/573858940.db2.gz NAEJMMIHCVCNHX-LLVKDONJSA-N 1 3 198.310 0.980 10 0 ACAEHO C[NH2+]CC1(CN[C@@H]2CCN(C)C2)CC1 258973124 573861678 /nfs/dbraw/zinc/86/16/78/573861678.db2.gz SZYBJMOSDWIGPW-SNVBAGLBSA-N 1 3 197.326 0.280 10 0 ACAEHO CC(C)[N@@H+]1C[C@@H]2CNC[C@H](C1)C2F 257891203 573861884 /nfs/dbraw/zinc/86/18/84/573861884.db2.gz NLVMFXHOMGFBQA-ULKQDVFKSA-N 1 3 186.274 0.884 10 0 ACAEHO CC(C)[N@H+]1C[C@@H]2CNC[C@H](C1)C2F 257891203 573861888 /nfs/dbraw/zinc/86/18/88/573861888.db2.gz NLVMFXHOMGFBQA-ULKQDVFKSA-N 1 3 186.274 0.884 10 0 ACAEHO Cc1ccc(C(=N)NC(N)=[NH2+])cc1 238547434 573861893 /nfs/dbraw/zinc/86/18/93/573861893.db2.gz JBNGSEQBTNCHMI-UHFFFAOYSA-N 1 3 176.223 0.803 10 0 ACAEHO CC[C@@H]([NH2+]C)[C@H]1CCN(C)C1 84329103 573861928 /nfs/dbraw/zinc/86/19/28/573861928.db2.gz XIVMHCAWCLKNQK-DTWKUNHWSA-N 1 3 156.273 0.936 10 0 ACAEHO CCN(CC)[C@H](C[NH3+])[C@H]1CCCCN1 214991758 573861967 /nfs/dbraw/zinc/86/19/67/573861967.db2.gz QLQSGQDFNMVBQZ-GHMZBOCLSA-N 1 3 199.342 0.798 10 0 ACAEHO CC[C@H](C)[C@@H](C[NH3+])NC[C@H](C)OC 299893857 573862240 /nfs/dbraw/zinc/86/22/40/573862240.db2.gz PRDVKNUKHNWBPW-LPEHRKFASA-N 1 3 188.315 0.984 10 0 ACAEHO CO[C@H](C)CNC[C@H]1CC[NH2+][C@H]1C 299893812 573864989 /nfs/dbraw/zinc/86/49/89/573864989.db2.gz PCILWFPXOTYIHQ-KXUCPTDWSA-N 1 3 186.299 0.609 10 0 ACAEHO C[C@H](N[C@H]1CCOC1(C)C)C1C[NH2+]C1 686251065 573865138 /nfs/dbraw/zinc/86/51/38/573865138.db2.gz CPDNBFQPFXFIBR-WPRPVWTQSA-N 1 3 198.310 0.751 10 0 ACAEHO C[C@H]([NH2+][C@H]1CCOC1(C)C)C1CNC1 686251065 573865145 /nfs/dbraw/zinc/86/51/45/573865145.db2.gz CPDNBFQPFXFIBR-WPRPVWTQSA-N 1 3 198.310 0.751 10 0 ACAEHO COC[C@@H](C[NH3+])NC[C@@H](C)C1CC1 393566584 573865296 /nfs/dbraw/zinc/86/52/96/573865296.db2.gz MRHINFHIXFHOOU-PSASIEDQSA-N 1 3 186.299 0.596 10 0 ACAEHO C[C@H](N[C@@H]1CCCN(C)C1)C1C[NH2+]C1 686239332 573865346 /nfs/dbraw/zinc/86/53/46/573865346.db2.gz VRFGKPKTFXKMRD-GXSJLCMTSA-N 1 3 197.326 0.278 10 0 ACAEHO [NH3+]CC1(CNCc2cc[nH]c2)CC1 258975145 573865360 /nfs/dbraw/zinc/86/53/60/573865360.db2.gz UDLLGHOFDUFHBV-UHFFFAOYSA-N 1 3 179.267 0.843 10 0 ACAEHO NCC1(C[NH2+]Cc2cc[nH]c2)CC1 258975145 573865363 /nfs/dbraw/zinc/86/53/63/573865363.db2.gz UDLLGHOFDUFHBV-UHFFFAOYSA-N 1 3 179.267 0.843 10 0 ACAEHO F[C@H]1CCN[C@@H](C2C[NH2+]C2)C1 238548980 573865584 /nfs/dbraw/zinc/86/55/84/573865584.db2.gz ZKYOMUWDEOZXCU-JGVFFNPUSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@H]1CC[NH2+][C@@H](C2CNC2)C1 238548980 573865585 /nfs/dbraw/zinc/86/55/85/573865585.db2.gz ZKYOMUWDEOZXCU-JGVFFNPUSA-N 1 3 158.220 0.296 10 0 ACAEHO CC[C@H](C[NH3+])CN(C)[C@H]1CCN(C)C1 258974691 573865682 /nfs/dbraw/zinc/86/56/82/573865682.db2.gz LPOQTDUGCZQFJA-MNOVXSKESA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@@H](N[C@@H]1CCCN(C)C1)C1C[NH2+]C1 686239339 573865781 /nfs/dbraw/zinc/86/57/81/573865781.db2.gz VRFGKPKTFXKMRD-MWLCHTKSSA-N 1 3 197.326 0.278 10 0 ACAEHO F[C@H]1CCN[C@H](C2C[NH2+]C2)C1 238549052 573866189 /nfs/dbraw/zinc/86/61/89/573866189.db2.gz ZKYOMUWDEOZXCU-YUMQZZPRSA-N 1 3 158.220 0.296 10 0 ACAEHO F[C@H]1CC[NH2+][C@H](C2CNC2)C1 238549052 573866195 /nfs/dbraw/zinc/86/61/95/573866195.db2.gz ZKYOMUWDEOZXCU-YUMQZZPRSA-N 1 3 158.220 0.296 10 0 ACAEHO CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 84384440 573866381 /nfs/dbraw/zinc/86/63/81/573866381.db2.gz NRNADPKHJNNFQK-LLVKDONJSA-N 1 3 197.326 0.233 10 0 ACAEHO CC[C@@H](C[NH3+])CN(C)[C@@H]1CCN(C)C1 258974696 573866416 /nfs/dbraw/zinc/86/64/16/573866416.db2.gz LPOQTDUGCZQFJA-WDEREUQCSA-N 1 3 199.342 0.607 10 0 ACAEHO NCc1cnoc1C[C@H]1CCC[NH2+]1 259216113 573866492 /nfs/dbraw/zinc/86/64/92/573866492.db2.gz LNJGLXPGCYIOLO-MRVPVSSYSA-N 1 3 181.239 0.428 10 0 ACAEHO C[C@H](N[C@H]1CCCN(C)C1)C1C[NH2+]C1 686239340 573866971 /nfs/dbraw/zinc/86/69/71/573866971.db2.gz VRFGKPKTFXKMRD-ONGXEEELSA-N 1 3 197.326 0.278 10 0 ACAEHO CC[NH2+]CC[C@H]1CN(C)CCN1C 393566477 573867238 /nfs/dbraw/zinc/86/72/38/573867238.db2.gz LTISTYGALJNCFE-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO COC[C@H](C[NH3+])NC[C@H](C)C1CC1 393566694 573876068 /nfs/dbraw/zinc/87/60/68/573876068.db2.gz MRHINFHIXFHOOU-WPRPVWTQSA-N 1 3 186.299 0.596 10 0 ACAEHO N[C@H](CC[NH3+])c1cc[nH]c1 259218485 573878201 /nfs/dbraw/zinc/87/82/01/573878201.db2.gz GSRIOPDVDDVIFR-SSDOTTSWSA-N 1 3 139.202 0.363 10 0 ACAEHO C1CC[N@H+]2CC[C@H](NC3CNC3)[C@@H]2C1 84417420 573878383 /nfs/dbraw/zinc/87/83/83/573878383.db2.gz XZMHLAAQEHSVNE-QWRGUYRKSA-N 1 3 195.310 0.175 10 0 ACAEHO C1CC[N@@H+]2CC[C@H](NC3CNC3)[C@@H]2C1 84417420 573878389 /nfs/dbraw/zinc/87/83/89/573878389.db2.gz XZMHLAAQEHSVNE-QWRGUYRKSA-N 1 3 195.310 0.175 10 0 ACAEHO CN(C)c1ccncc1NC1C[NH2+]C1 84417076 573878671 /nfs/dbraw/zinc/87/86/71/573878671.db2.gz JVEGWMKCVXCSLM-UHFFFAOYSA-N 1 3 192.266 0.531 10 0 ACAEHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(O)C1 84422392 573884685 /nfs/dbraw/zinc/88/46/85/573884685.db2.gz ZXWJPTALPNEODN-WOOKNIGNSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C[C@H]1CCC[C@@H]1NC1CC(O)C1 84422392 573884690 /nfs/dbraw/zinc/88/46/90/573884690.db2.gz ZXWJPTALPNEODN-WOOKNIGNSA-N 1 3 184.283 0.227 10 0 ACAEHO CC(C)(O)C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238179425 573884721 /nfs/dbraw/zinc/88/47/21/573884721.db2.gz DXWHXXQFELLSSF-ILWJIGKKSA-N 1 3 198.310 0.711 10 0 ACAEHO CC(C)(O)C[N@H+]1[C@H]2CC[C@@H]1C[C@H](N)C2 238179425 573884726 /nfs/dbraw/zinc/88/47/26/573884726.db2.gz DXWHXXQFELLSSF-ILWJIGKKSA-N 1 3 198.310 0.711 10 0 ACAEHO C[C@@H](C(N)=[NH2+])N1CCC[C@H](N(C)C)C1 84419960 573884016 /nfs/dbraw/zinc/88/40/16/573884016.db2.gz XMAZLGIIPSTAKA-IUCAKERBSA-N 1 3 198.314 0.337 10 0 ACAEHO CN(C)CCNC[C@H]1CCC[NH2+]C1 41203286 573884264 /nfs/dbraw/zinc/88/42/64/573884264.db2.gz QHVUTPZQBFUCKR-JTQLQIEISA-N 1 3 185.315 0.137 10 0 ACAEHO CN(C)CCC[NH+]1CCC(O)CC1 41203609 573886022 /nfs/dbraw/zinc/88/60/22/573886022.db2.gz SHEIWCMPWNYGNV-UHFFFAOYSA-N 1 3 186.299 0.395 10 0 ACAEHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(O)C1 84422390 573886244 /nfs/dbraw/zinc/88/62/44/573886244.db2.gz ZXWJPTALPNEODN-AUXWQGHOSA-N 1 3 184.283 0.227 10 0 ACAEHO [NH3+]C[C@@H]1CCC[C@H]1NC1CC(O)C1 84422390 573886250 /nfs/dbraw/zinc/88/62/50/573886250.db2.gz ZXWJPTALPNEODN-AUXWQGHOSA-N 1 3 184.283 0.227 10 0 ACAEHO CSCC[C@H]([NH3+])CNC1CC1 393568416 573886392 /nfs/dbraw/zinc/88/63/92/573886392.db2.gz GPXFAOURQDLMJJ-ZETCQYMHSA-N 1 3 174.313 0.819 10 0 ACAEHO CNCC1(C[NH2+]C2CCOCC2)CC1 258985893 573886415 /nfs/dbraw/zinc/88/64/15/573886415.db2.gz VAPRLFMQVFODIX-UHFFFAOYSA-N 1 3 198.310 0.755 10 0 ACAEHO C[NH2+]CC1(CNC2CCOCC2)CC1 258985893 573886421 /nfs/dbraw/zinc/88/64/21/573886421.db2.gz VAPRLFMQVFODIX-UHFFFAOYSA-N 1 3 198.310 0.755 10 0 ACAEHO C[N@@H+]1CCC[C@H](C(C)(C)CNCN)C1 258986003 573890212 /nfs/dbraw/zinc/89/02/12/573890212.db2.gz YOHXQNZWOOWKAW-JTQLQIEISA-N 1 3 199.342 0.860 10 0 ACAEHO C[N@H+]1CCC[C@H](C(C)(C)CNCN)C1 258986003 573890214 /nfs/dbraw/zinc/89/02/14/573890214.db2.gz YOHXQNZWOOWKAW-JTQLQIEISA-N 1 3 199.342 0.860 10 0 ACAEHO C[N@@H+]1CC[C@H](C(C)(C)CNCN)C1 258989924 573890602 /nfs/dbraw/zinc/89/06/02/573890602.db2.gz ZAFYTHKTSCUNQI-VIFPVBQESA-N 1 3 185.315 0.470 10 0 ACAEHO C[N@H+]1CC[C@H](C(C)(C)CNCN)C1 258989924 573890606 /nfs/dbraw/zinc/89/06/06/573890606.db2.gz ZAFYTHKTSCUNQI-VIFPVBQESA-N 1 3 185.315 0.470 10 0 ACAEHO CCCN1C[C@@H]2C[C@@H]2[C@@H]1C[NH3+] 258445486 573890624 /nfs/dbraw/zinc/89/06/24/573890624.db2.gz FKQWZHGOMJZRSX-CIUDSAMLSA-N 1 3 154.257 0.675 10 0 ACAEHO CN(C)CCNCCC[NH+]1CCCC1 41210055 573890677 /nfs/dbraw/zinc/89/06/77/573890677.db2.gz CXAIMHOXTLNAFR-UHFFFAOYSA-N 1 3 199.342 0.624 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H](C)CN 80317079 573890818 /nfs/dbraw/zinc/89/08/18/573890818.db2.gz PGXBLKMCNUKABP-NTSWFWBYSA-N 1 3 116.208 0.319 10 0 ACAEHO CC1([C@@](C)(N)C[NH3+])CC1 87363664 573890967 /nfs/dbraw/zinc/89/09/67/573890967.db2.gz XLZNSQAJGGTLHQ-ZETCQYMHSA-N 1 3 128.219 0.463 10 0 ACAEHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(O)C1 84442741 573891058 /nfs/dbraw/zinc/89/10/58/573891058.db2.gz PHIQXCSIBYRWKL-PMUOWJKOSA-N 1 3 198.310 0.617 10 0 ACAEHO [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC(O)C1 84442741 573891064 /nfs/dbraw/zinc/89/10/64/573891064.db2.gz PHIQXCSIBYRWKL-PMUOWJKOSA-N 1 3 198.310 0.617 10 0 ACAEHO C[N@@H+]1CC[C@@H](C(C)(C)CNCN)C1 258989922 573891168 /nfs/dbraw/zinc/89/11/68/573891168.db2.gz ZAFYTHKTSCUNQI-SECBINFHSA-N 1 3 185.315 0.470 10 0 ACAEHO C[N@H+]1CC[C@@H](C(C)(C)CNCN)C1 258989922 573891175 /nfs/dbraw/zinc/89/11/75/573891175.db2.gz ZAFYTHKTSCUNQI-SECBINFHSA-N 1 3 185.315 0.470 10 0 ACAEHO CC[C@H]([NH3+])[C@@H](C)CN 80317078 573891408 /nfs/dbraw/zinc/89/14/08/573891408.db2.gz PGXBLKMCNUKABP-WDSKDSINSA-N 1 3 116.208 0.319 10 0 ACAEHO CC[C@@H]([NH3+])[C@H]1CN(C)CCCN1C 125387048 573891460 /nfs/dbraw/zinc/89/14/60/573891460.db2.gz YJCKSFJMZZYFCF-NXEZZACHSA-N 1 3 185.315 0.360 10 0 ACAEHO CC(C)[C@H]1[NH2+]CCC[C@H]1CN 238175614 573898924 /nfs/dbraw/zinc/89/89/24/573898924.db2.gz ZZDZSMAINHTBGB-DTWKUNHWSA-N 1 3 156.273 0.969 10 0 ACAEHO C[NH2+][C@H]([C@@H]1CCN(C)C1)C(C)(C)CN 259228353 573899165 /nfs/dbraw/zinc/89/91/65/573899165.db2.gz GKHLOILYAKTXOW-NXEZZACHSA-N 1 3 199.342 0.511 10 0 ACAEHO C[C@]1(O)CC[N@@H+]([C@@H]2CCCNCC2)C1 235769491 573901487 /nfs/dbraw/zinc/90/14/87/573901487.db2.gz ARXNSKVZXDRUST-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@]1(O)CC[N@H+]([C@@H]2CCCNCC2)C1 235769491 573901488 /nfs/dbraw/zinc/90/14/88/573901488.db2.gz ARXNSKVZXDRUST-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[C@]1(O)CCN([C@@H]2CCC[NH2+]CC2)C1 235769491 573901489 /nfs/dbraw/zinc/90/14/89/573901489.db2.gz ARXNSKVZXDRUST-MNOVXSKESA-N 1 3 198.310 0.585 10 0 ACAEHO C[NH2+][C@@H](C)CN[C@@H](C)[C@H]1CCOC1 393569299 573901682 /nfs/dbraw/zinc/90/16/82/573901682.db2.gz SXJKLLOQVUXBIQ-GUBZILKMSA-N 1 3 186.299 0.609 10 0 ACAEHO NC[C@@H](F)C1=CC[NH2+]CC1 258521010 573901684 /nfs/dbraw/zinc/90/16/84/573901684.db2.gz MFYZSYOSHFHVHY-SSDOTTSWSA-N 1 3 144.193 0.203 10 0 ACAEHO C[C@@H]1C[C@@]2(CC[N@@H+]1C)CNCCO2 76629288 573907397 /nfs/dbraw/zinc/90/73/97/573907397.db2.gz GSKVZIICXWDHGW-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO C[C@@H]1C[C@@]2(CC[N@H+]1C)CNCCO2 76629288 573907403 /nfs/dbraw/zinc/90/74/03/573907403.db2.gz GSKVZIICXWDHGW-ZJUUUORDSA-N 1 3 184.283 0.459 10 0 ACAEHO CC[C@@](O)(C[NH3+])[C@H]1CCCCN1 123046482 573907512 /nfs/dbraw/zinc/90/75/12/573907512.db2.gz ZIJUJGRKHWBGTK-RKDXNWHRSA-N 1 3 172.272 0.228 10 0 ACAEHO C[C@@H](C[NH3+])[C@]1(F)CCN(C)C1 258450278 573907533 /nfs/dbraw/zinc/90/75/33/573907533.db2.gz FXYQYFIHPCZUPH-YUMQZZPRSA-N 1 3 160.236 0.625 10 0 ACAEHO CC[C@](O)(C[NH3+])[C@H]1CCCCN1 123046593 573907609 /nfs/dbraw/zinc/90/76/09/573907609.db2.gz ZIJUJGRKHWBGTK-BDAKNGLRSA-N 1 3 172.272 0.228 10 0 ACAEHO C[NH2+][C@@H](C1CCCC1)C1CNC1 259580555 573913669 /nfs/dbraw/zinc/91/36/69/573913669.db2.gz XFAFGEDJXPHOOP-JTQLQIEISA-N 1 3 168.284 0.984 10 0 ACAEHO COCCN1CCC[C@@H]1CC[NH3+] 259236280 573913719 /nfs/dbraw/zinc/91/37/19/573913719.db2.gz LJDWPDMNOPNDJZ-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COCC[N@@H+]1CCC[C@@H]1CCN 259236280 573913721 /nfs/dbraw/zinc/91/37/21/573913721.db2.gz LJDWPDMNOPNDJZ-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO COCC[N@H+]1CCC[C@@H]1CCN 259236280 573913725 /nfs/dbraw/zinc/91/37/25/573913725.db2.gz LJDWPDMNOPNDJZ-SECBINFHSA-N 1 3 172.272 0.446 10 0 ACAEHO CN1CCC[C@@H]1[C@@H]1C[NH2+][C@@H](CO)C1 258180730 573914043 /nfs/dbraw/zinc/91/40/43/573914043.db2.gz MADZCIZZMXZWFH-IVZWLZJFSA-N 1 3 184.283 0.051 10 0 ACAEHO CNCC1([C@@H](C)[NH2+]C)CC1 259236101 573914575 /nfs/dbraw/zinc/91/45/75/573914575.db2.gz GQWAOVKPPWPXEY-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO CN[C@H](C)C1(C[NH2+]C)CC1 259236101 573914579 /nfs/dbraw/zinc/91/45/79/573914579.db2.gz GQWAOVKPPWPXEY-SSDOTTSWSA-N 1 3 142.246 0.594 10 0 ACAEHO C[C@@H]1C[NH2+][C@](C)([C@H]2CCN(C)C2)OC1 258456003 573914995 /nfs/dbraw/zinc/91/49/95/573914995.db2.gz KHTUMSLBWAJVRF-VWYCJHECSA-N 1 3 198.310 0.910 10 0 ACAEHO CN(C)CC[NH2+]C[C@H]1CCCN(C)C1 44537305 573915026 /nfs/dbraw/zinc/91/50/26/573915026.db2.gz SWHNMVWJFXUURY-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO CN(C)CCNC[C@H]1CCC[N@H+](C)C1 44537305 573915032 /nfs/dbraw/zinc/91/50/32/573915032.db2.gz SWHNMVWJFXUURY-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO CN(C)CCNC[C@H]1CCC[N@@H+](C)C1 44537305 573915036 /nfs/dbraw/zinc/91/50/36/573915036.db2.gz SWHNMVWJFXUURY-LLVKDONJSA-N 1 3 199.342 0.479 10 0 ACAEHO COC[C@H](C)N1CC[C@H](C)[C@@H]1C[NH3+] 299908472 573915321 /nfs/dbraw/zinc/91/53/21/573915321.db2.gz ITWZVOPMGJTEGS-GUBZILKMSA-N 1 3 186.299 0.690 10 0 ACAEHO C[C@@H]1C[NH2+][C@](C)([C@@H]2CCN(C)C2)OC1 258455979 573915421 /nfs/dbraw/zinc/91/54/21/573915421.db2.gz KHTUMSLBWAJVRF-MXWKQRLJSA-N 1 3 198.310 0.910 10 0 ACAEHO CNCC1([C@H](C)[NH2+]C)CC1 259236104 573915523 /nfs/dbraw/zinc/91/55/23/573915523.db2.gz GQWAOVKPPWPXEY-ZETCQYMHSA-N 1 3 142.246 0.594 10 0 ACAEHO CN[C@@H](C)C1(C[NH2+]C)CC1 259236104 573915529 /nfs/dbraw/zinc/91/55/29/573915529.db2.gz GQWAOVKPPWPXEY-ZETCQYMHSA-N 1 3 142.246 0.594 10 0 ACAEHO NC[C@H](N)C[NH2+]CCc1ccccc1 259007946 573915532 /nfs/dbraw/zinc/91/55/32/573915532.db2.gz QWSHFXHAZAGEIE-NSHDSACASA-N 1 3 193.294 0.105 10 0 ACAEHO N[C@@H](C[NH3+])CNCCc1ccccc1 259007946 573915539 /nfs/dbraw/zinc/91/55/39/573915539.db2.gz QWSHFXHAZAGEIE-NSHDSACASA-N 1 3 193.294 0.105 10 0 ACAEHO CCCC[N@H+](C)C[C@H](N)CN 259011169 573926674 /nfs/dbraw/zinc/92/66/74/573926674.db2.gz RGCCPESVSOEXOU-MRVPVSSYSA-N 1 3 159.277 0.004 10 0 ACAEHO CCCC[N@@H+](C)C[C@H](N)CN 259011169 573926678 /nfs/dbraw/zinc/92/66/78/573926678.db2.gz RGCCPESVSOEXOU-MRVPVSSYSA-N 1 3 159.277 0.004 10 0 ACAEHO CCCCN(C)C[C@H](N)C[NH3+] 259011169 573926684 /nfs/dbraw/zinc/92/66/84/573926684.db2.gz RGCCPESVSOEXOU-MRVPVSSYSA-N 1 3 159.277 0.004 10 0 ACAEHO C[C@H](N)c1ccnn1[C@H]1CC[NH2+]C1 257901466 573926807 /nfs/dbraw/zinc/92/68/07/573926807.db2.gz OYZBZRILEJVHQE-YUMQZZPRSA-N 1 3 180.255 0.437 10 0 ACAEHO CN1CCC[C@H]1c1oncc1C[NH3+] 257901440 573926853 /nfs/dbraw/zinc/92/68/53/573926853.db2.gz OYTGAYVEJJUYAN-QMMMGPOBSA-N 1 3 181.239 0.900 10 0 ACAEHO C[NH2+]C[C@@]1(OC)CCN(C(C)C)C1 257905098 573934209 /nfs/dbraw/zinc/93/42/09/573934209.db2.gz POCQJFMKLDIIRU-JTQLQIEISA-N 1 3 186.299 0.705 10 0 ACAEHO CNC[C@@]1(OC)CC[N@@H+](C(C)C)C1 257905098 573934212 /nfs/dbraw/zinc/93/42/12/573934212.db2.gz POCQJFMKLDIIRU-JTQLQIEISA-N 1 3 186.299 0.705 10 0 ACAEHO CNC[C@@]1(OC)CC[N@H+](C(C)C)C1 257905098 573934216 /nfs/dbraw/zinc/93/42/16/573934216.db2.gz POCQJFMKLDIIRU-JTQLQIEISA-N 1 3 186.299 0.705 10 0 ACAEHO [NH3+]CC1CN(C2CCOCC2)C1 84987919 573937383 /nfs/dbraw/zinc/93/73/83/573937383.db2.gz ZMSZDQLBJORUFY-UHFFFAOYSA-N 1 3 170.256 0.056 10 0 ACAEHO CC[C@H](C)CN1CC(C[NH3+])C1 84987734 573937445 /nfs/dbraw/zinc/93/74/45/573937445.db2.gz WNSVSCTZCKYVLV-QMMMGPOBSA-N 1 3 156.273 0.923 10 0 ACAEHO [NH3+]CC1CN(CC2CC2)C1 84987999 573937853 /nfs/dbraw/zinc/93/78/53/573937853.db2.gz QNFZOAAUEBUDRT-UHFFFAOYSA-N 1 3 140.230 0.287 10 0 ACAEHO CO[C@@H]1CCC[C@@H](N2CC(C[NH3+])C2)C1 84987653 573937923 /nfs/dbraw/zinc/93/79/23/573937923.db2.gz XGMBQMIOZOIJKI-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO CO[C@@H]1CCC[C@@H]([NH+]2CC(CN)C2)C1 84987653 573937930 /nfs/dbraw/zinc/93/79/30/573937930.db2.gz XGMBQMIOZOIJKI-GHMZBOCLSA-N 1 3 198.310 0.835 10 0 ACAEHO CC[C@@H](C)N1CC(C[NH3+])C1 84987700 573937977 /nfs/dbraw/zinc/93/79/77/573937977.db2.gz XNHAANKJUYUPCZ-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO CC[C@@H](C)[NH+]1CC(CN)C1 84987700 573937983 /nfs/dbraw/zinc/93/79/83/573937983.db2.gz XNHAANKJUYUPCZ-SSDOTTSWSA-N 1 3 142.246 0.675 10 0 ACAEHO C[C@H](N[C@@H]1CO[C@H](C)[C@H]1C)C1C[NH2+]C1 686251417 573940666 /nfs/dbraw/zinc/94/06/66/573940666.db2.gz HSJXKRVXJRSLLR-PKIKSRDPSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CO[C@H](C)[C@H]1C)C1CNC1 686251417 573940673 /nfs/dbraw/zinc/94/06/73/573940673.db2.gz HSJXKRVXJRSLLR-PKIKSRDPSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@H]1SCC[C@]1(C[NH3+])NC1CC1 235669030 573940816 /nfs/dbraw/zinc/94/08/16/573940816.db2.gz URLVDLJJTQORTK-VXNVDRBHSA-N 1 3 186.324 0.961 10 0 ACAEHO C[C@@H](NC[C@](C)(O)C1CC1)C1C[NH2+]C1 686251336 573940863 /nfs/dbraw/zinc/94/08/63/573940863.db2.gz LPRPGLVVFSTCME-KCJUWKMLSA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)C1CNC1 686251336 573940868 /nfs/dbraw/zinc/94/08/68/573940868.db2.gz LPRPGLVVFSTCME-KCJUWKMLSA-N 1 3 198.310 0.345 10 0 ACAEHO CCCN1CCN([C@H](C)[C@H](C)[NH3+])CC1 42373581 573940925 /nfs/dbraw/zinc/94/09/25/573940925.db2.gz QNRAOVIGEDKBTC-WDEREUQCSA-N 1 3 199.342 0.750 10 0 ACAEHO C[C@@H](CCC[NH3+])NCc1nncn1C 308468488 573941036 /nfs/dbraw/zinc/94/10/36/573941036.db2.gz ATBWQGCQHWCBMF-QMMMGPOBSA-N 1 3 197.286 0.032 10 0 ACAEHO CNC[C@@H](O)[C@H]1CCCCC[NH2+]1 84992137 573941101 /nfs/dbraw/zinc/94/11/01/573941101.db2.gz HWRUISCQBZUKHM-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@@H](O)[C@H]1CCCCCN1 84992137 573941107 /nfs/dbraw/zinc/94/11/07/573941107.db2.gz HWRUISCQBZUKHM-RKDXNWHRSA-N 1 3 172.272 0.099 10 0 ACAEHO CNC[C@H](O)[C@H]1CCCCC[NH2+]1 84992135 573941151 /nfs/dbraw/zinc/94/11/51/573941151.db2.gz HWRUISCQBZUKHM-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[NH2+]C[C@H](O)[C@H]1CCCCCN1 84992135 573941154 /nfs/dbraw/zinc/94/11/54/573941154.db2.gz HWRUISCQBZUKHM-BDAKNGLRSA-N 1 3 172.272 0.099 10 0 ACAEHO C[C@H](NC[C@](C)(O)C1CC1)C1C[NH2+]C1 686251337 573941212 /nfs/dbraw/zinc/94/12/12/573941212.db2.gz LPRPGLVVFSTCME-KWQFWETISA-N 1 3 198.310 0.345 10 0 ACAEHO C[C@H]([NH2+]C[C@](C)(O)C1CC1)C1CNC1 686251337 573941218 /nfs/dbraw/zinc/94/12/18/573941218.db2.gz LPRPGLVVFSTCME-KWQFWETISA-N 1 3 198.310 0.345 10 0 ACAEHO CC[C@@H]1CCN[C@@H]([C@H](O)C[NH3+])C1 84991463 573941551 /nfs/dbraw/zinc/94/15/51/573941551.db2.gz FPAGEKBQOOYSFF-IWSPIJDZSA-N 1 3 172.272 0.084 10 0 ACAEHO C[C@H](N[C@@H]1CO[C@@H](C)[C@H]1C)C1C[NH2+]C1 686251418 573941573 /nfs/dbraw/zinc/94/15/73/573941573.db2.gz HSJXKRVXJRSLLR-UYAYMFIHSA-N 1 3 198.310 0.607 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CO[C@@H](C)[C@H]1C)C1CNC1 686251418 573941580 /nfs/dbraw/zinc/94/15/80/573941580.db2.gz HSJXKRVXJRSLLR-UYAYMFIHSA-N 1 3 198.310 0.607 10 0 ACAEHO CC[C@@H]1CCN[C@H]([C@H](O)C[NH3+])C1 84991459 573941584 /nfs/dbraw/zinc/94/15/84/573941584.db2.gz FPAGEKBQOOYSFF-HRDYMLBCSA-N 1 3 172.272 0.084 10 0 ACAEHO CCO[C@@H]1CCCN(CCC(N)=[NH2+])C1 42422694 573946197 /nfs/dbraw/zinc/94/61/97/573946197.db2.gz OZDXNRJSCQNEDU-SECBINFHSA-N 1 3 199.298 0.813 10 0 ACAEHO CCO[C@H]1CCCN(CCC(N)=[NH2+])C1 42422695 573946256 /nfs/dbraw/zinc/94/62/56/573946256.db2.gz OZDXNRJSCQNEDU-VIFPVBQESA-N 1 3 199.298 0.813 10 0 ACAEHO C[C@H]([NH3+])C1=CCCN(C)C1 258187223 573946393 /nfs/dbraw/zinc/94/63/93/573946393.db2.gz SZRQZZRQJIEPMG-ZETCQYMHSA-N 1 3 140.230 0.596 10 0 ACAEHO C[C@H](N)C1=CCC[N@H+](C)C1 258187223 573946397 /nfs/dbraw/zinc/94/63/97/573946397.db2.gz SZRQZZRQJIEPMG-ZETCQYMHSA-N 1 3 140.230 0.596 10 0 ACAEHO C[C@H](N)C1=CCC[N@@H+](C)C1 258187223 573946402 /nfs/dbraw/zinc/94/64/02/573946402.db2.gz SZRQZZRQJIEPMG-ZETCQYMHSA-N 1 3 140.230 0.596 10 0 ACAEHO CC[C@@H]([NH3+])[C@@H](CN)C(C)C 259247586 573946486 /nfs/dbraw/zinc/94/64/86/573946486.db2.gz GGKNQNGNXTVDNB-JGVFFNPUSA-N 1 3 144.262 0.955 10 0 ACAEHO C[C@@](O)(CC[NH3+])c1cnccc1N 84996976 573946499 /nfs/dbraw/zinc/94/64/99/573946499.db2.gz YTUOWSQIHHZKTH-SECBINFHSA-N 1 3 181.239 0.220 10 0 ACAEHO CCCNC[C@@H]1C[C@@H](OC)C[NH2+]1 40637585 573946553 /nfs/dbraw/zinc/94/65/53/573946553.db2.gz VVKGZHUUUCYRJI-DTWKUNHWSA-N 1 3 172.272 0.363 10 0 ACAEHO CN(C[C@@H](O)C[NH3+])CC(C)(C)C 45072023 573946657 /nfs/dbraw/zinc/94/66/57/573946657.db2.gz ISQVOWFZCZFJAU-QMMMGPOBSA-N 1 3 174.288 0.284 10 0 ACAEHO CC[C@@]([NH3+])(CO)[C@@H]1CCN(C)C1 215019306 573947651 /nfs/dbraw/zinc/94/76/51/573947651.db2.gz NXIHYRFPKKXVHO-RKDXNWHRSA-N 1 3 172.272 0.038 10 0 ACAEHO CC(C)NC(=N)SC(N)=[NH2+] 238204705 573947652 /nfs/dbraw/zinc/94/76/52/573947652.db2.gz YUWPDJYEYHYVIE-UHFFFAOYSA-N 1 3 160.246 0.546 10 0 ACAEHO C1COC[C@@H](NC[C@@H]2CC[NH2+]C2)C1 257913934 573947718 /nfs/dbraw/zinc/94/77/18/573947718.db2.gz QQHOVIGXKYKVTP-ZJUUUORDSA-N 1 3 184.283 0.365 10 0 ACAEHO C1COC[C@H](NC[C@H]2CC[NH2+]C2)C1 257913933 573947778 /nfs/dbraw/zinc/94/77/78/573947778.db2.gz QQHOVIGXKYKVTP-VHSXEESVSA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@@H](CC(N)=[NH2+])N1CCCC[C@@H]1CO 42432299 573948162 /nfs/dbraw/zinc/94/81/62/573948162.db2.gz NUNQAVOBQHVCBW-DTWKUNHWSA-N 1 3 199.298 0.548 10 0 ACAEHO CNC[C@H](F)C[C@@H]1CC[NH2+]C1 257909827 573952008 /nfs/dbraw/zinc/95/20/08/573952008.db2.gz AIGOVNXSMDPYPT-JGVFFNPUSA-N 1 3 160.236 0.544 10 0 ACAEHO C[C@@H]1COCCN1C[C@@H]1CC[C@H]([NH3+])C1 85014635 573952392 /nfs/dbraw/zinc/95/23/92/573952392.db2.gz XBBTUBJRLCCNEY-MXWKQRLJSA-N 1 3 198.310 0.835 10 0 ACAEHO C[N@@H+]1CCC[C@@H]1Cc1cc(CN)[nH]n1 259249925 573955629 /nfs/dbraw/zinc/95/56/29/573955629.db2.gz NQBDUHAIVYDENE-SNVBAGLBSA-N 1 3 194.282 0.505 10 0 ACAEHO CCN(C)CCN[C@H](C)C1C[NH2+]C1 686251496 573955632 /nfs/dbraw/zinc/95/56/32/573955632.db2.gz LRRIWUMAWYDZNW-SECBINFHSA-N 1 3 185.315 0.136 10 0 ACAEHO C[N@H+]1CCC[C@@H]1Cc1cc(CN)[nH]n1 259249925 573955634 /nfs/dbraw/zinc/95/56/34/573955634.db2.gz NQBDUHAIVYDENE-SNVBAGLBSA-N 1 3 194.282 0.505 10 0 ACAEHO C[C@@H]1CC[C@H](C[NH3+])CN1CCN(C)C 42427398 573955697 /nfs/dbraw/zinc/95/56/97/573955697.db2.gz KLQMIBWTZLXXLK-GHMZBOCLSA-N 1 3 199.342 0.607 10 0 ACAEHO C[C@H](C[NH3+])[C@]1(F)CCCNC1 257911565 573955758 /nfs/dbraw/zinc/95/57/58/573955758.db2.gz AMDVWOZQASWNPD-SFYZADRCSA-N 1 3 160.236 0.673 10 0 ACAEHO C[NH2+]CC1([C@H](C)N)CC1 259249895 573955879 /nfs/dbraw/zinc/95/58/79/573955879.db2.gz GIUXICQWHPQOOX-LURJTMIESA-N 1 3 128.219 0.333 10 0 ACAEHO CNCC1([C@H](C)[NH3+])CC1 259249895 573955882 /nfs/dbraw/zinc/95/58/82/573955882.db2.gz GIUXICQWHPQOOX-LURJTMIESA-N 1 3 128.219 0.333 10 0 ACAEHO CCN(C)CCN[C@@H](C)C1C[NH2+]C1 686251499 573955898 /nfs/dbraw/zinc/95/58/98/573955898.db2.gz LRRIWUMAWYDZNW-VIFPVBQESA-N 1 3 185.315 0.136 10 0 ACAEHO C[NH2+]CC1([C@@H](C)N)CC1 259249898 573955944 /nfs/dbraw/zinc/95/59/44/573955944.db2.gz GIUXICQWHPQOOX-ZCFIWIBFSA-N 1 3 128.219 0.333 10 0 ACAEHO CNCC1([C@@H](C)[NH3+])CC1 259249898 573955945 /nfs/dbraw/zinc/95/59/45/573955945.db2.gz GIUXICQWHPQOOX-ZCFIWIBFSA-N 1 3 128.219 0.333 10 0 ACAEHO C[C@H](C[NH3+])[C@@]1(F)CCCNC1 257911551 573956032 /nfs/dbraw/zinc/95/60/32/573956032.db2.gz AMDVWOZQASWNPD-HTQZYQBOSA-N 1 3 160.236 0.673 10 0 ACAEHO [NH3+]C/C=C/CN1CCCOCC1 85055023 573963301 /nfs/dbraw/zinc/96/33/01/573963301.db2.gz XKTYGAZRZQWJPP-OWOJBTEDSA-N 1 3 170.256 0.224 10 0 ACAEHO [NH3+]C/C=C/CN1CCCSCC1 85054871 573963364 /nfs/dbraw/zinc/96/33/64/573963364.db2.gz BQXKXKDTJADTNK-OWOJBTEDSA-N 1 3 186.324 0.940 10 0 ACAEHO CC[C@@H](C[NH3+])NCCc1cccnc1 393600221 573963614 /nfs/dbraw/zinc/96/36/14/573963614.db2.gz PZWBZFUKSZOLJO-NSHDSACASA-N 1 3 193.294 0.951 10 0 ACAEHO CN1CC[C@@H](N(C)CCC(C)(C)[NH3+])C1 259029357 573963746 /nfs/dbraw/zinc/96/37/46/573963746.db2.gz ZNHNGHNCZLFHOE-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO COCCN(C[C@@H](C)C[NH3+])C1CC1 42517594 573963834 /nfs/dbraw/zinc/96/38/34/573963834.db2.gz GQMJSTAXHOEWRS-VIFPVBQESA-N 1 3 186.299 0.692 10 0 ACAEHO [NH3+]C/C=C/CN1CCSCC1 85054770 573963878 /nfs/dbraw/zinc/96/38/78/573963878.db2.gz VNQKMVDDPQOGFV-OWOJBTEDSA-N 1 3 172.297 0.550 10 0 ACAEHO C[C@@H]1CN(C/C=C/C[NH3+])CCN1C 85055112 573963914 /nfs/dbraw/zinc/96/39/14/573963914.db2.gz DWAZQBALMMHNOE-HMDXOVGESA-N 1 3 183.299 0.137 10 0 ACAEHO CCC[NH2+]CCN1CC(N(C)C)C1 394416978 573963943 /nfs/dbraw/zinc/96/39/43/573963943.db2.gz DGZMRHOHGBYFLW-UHFFFAOYSA-N 1 3 185.315 0.232 10 0 ACAEHO COCCN(C1CC1)[C@@H](C)CC[NH3+] 42517622 573964026 /nfs/dbraw/zinc/96/40/26/573964026.db2.gz OXKDITACZDXTOZ-VIFPVBQESA-N 1 3 186.299 0.835 10 0 ACAEHO C[C@H]1CN(C/C=C/C[NH3+])CCCO1 85055021 573966219 /nfs/dbraw/zinc/96/62/19/573966219.db2.gz UCCIYIBHMHIFKB-PBKGFPTLSA-N 1 3 184.283 0.612 10 0 ACAEHO CC[C@H]([NH3+])CCN1CCN(C)[C@H](C)C1 127893189 573965567 /nfs/dbraw/zinc/96/55/67/573965567.db2.gz ZBJBBNIEZJIFHE-MNOVXSKESA-N 1 3 199.342 0.750 10 0 ACAEHO COC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)N 42518132 573965579 /nfs/dbraw/zinc/96/55/79/573965579.db2.gz RBCYXQLVSAJZTL-YIZRAAEISA-N 1 3 174.288 0.689 10 0 ACAEHO COC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)N 42518132 573965582 /nfs/dbraw/zinc/96/55/82/573965582.db2.gz RBCYXQLVSAJZTL-YIZRAAEISA-N 1 3 174.288 0.689 10 0 ACAEHO COCCN(C[C@H](C)C[NH3+])C1CC1 42517595 573965649 /nfs/dbraw/zinc/96/56/49/573965649.db2.gz GQMJSTAXHOEWRS-SECBINFHSA-N 1 3 186.299 0.692 10 0 ACAEHO COC(C)(C)CN(C)C[C@H](C)C[NH3+] 393600152 573965710 /nfs/dbraw/zinc/96/57/10/573965710.db2.gz QPHHKSQFDWATBB-SECBINFHSA-N 1 3 188.315 0.938 10 0 ACAEHO COC(C)(C)C[N@H+](C)C[C@H](C)CN 393600152 573965712 /nfs/dbraw/zinc/96/57/12/573965712.db2.gz QPHHKSQFDWATBB-SECBINFHSA-N 1 3 188.315 0.938 10 0 ACAEHO COC(C)(C)C[N@@H+](C)C[C@H](C)CN 393600152 573965717 /nfs/dbraw/zinc/96/57/17/573965717.db2.gz QPHHKSQFDWATBB-SECBINFHSA-N 1 3 188.315 0.938 10 0 ACAEHO C1CN[C@@H](C[C@H]2CCC[NH2+]C2)OC1 258463454 573965777 /nfs/dbraw/zinc/96/57/77/573965777.db2.gz KOZUYPVSKGLZJO-NXEZZACHSA-N 1 3 184.283 0.712 10 0 ACAEHO CN1CC[C@H]([C@H]2[NH2+]CCCO2)C1 258191507 573965858 /nfs/dbraw/zinc/96/58/58/573965858.db2.gz ULSQRTNFAXYHJG-IUCAKERBSA-N 1 3 170.256 0.274 10 0 ACAEHO C1CN[C@H](C[C@@H]2CCC[NH2+]C2)OC1 258463461 573965991 /nfs/dbraw/zinc/96/59/91/573965991.db2.gz KOZUYPVSKGLZJO-UWVGGRQHSA-N 1 3 184.283 0.712 10 0 ACAEHO C1CN[C@H](C[C@H]2CCC[NH2+]C2)OC1 258463481 573966045 /nfs/dbraw/zinc/96/60/45/573966045.db2.gz KOZUYPVSKGLZJO-ZJUUUORDSA-N 1 3 184.283 0.712 10 0 ACAEHO C[N@H+](CCC[C@@](C)(N)C(N)=O)C1CC1 45383317 573976618 /nfs/dbraw/zinc/97/66/18/573976618.db2.gz YTIJIADIVWDNLI-SNVBAGLBSA-N 1 3 199.298 0.064 10 0 ACAEHO C[N@@H+](CCC[C@@](C)(N)C(N)=O)C1CC1 45383317 573976623 /nfs/dbraw/zinc/97/66/23/573976623.db2.gz YTIJIADIVWDNLI-SNVBAGLBSA-N 1 3 199.298 0.064 10 0 ACAEHO C[NH2+][C@H](c1ccccc1C)[C@H](O)CN 259589525 573984365 /nfs/dbraw/zinc/98/43/65/573984365.db2.gz XSGHIUSLZYLMCJ-GHMZBOCLSA-N 1 3 194.278 0.575 10 0 ACAEHO C[NH2+][C@H](c1ccccc1C)[C@@H](O)CN 259589533 573984722 /nfs/dbraw/zinc/98/47/22/573984722.db2.gz XSGHIUSLZYLMCJ-WDEREUQCSA-N 1 3 194.278 0.575 10 0 ACAEHO CNC[C@H](C[NH3+])c1ccccn1 258195161 573985081 /nfs/dbraw/zinc/98/50/81/573985081.db2.gz PGIHTRBZEIBNOG-QMMMGPOBSA-N 1 3 165.240 0.343 10 0 ACAEHO C[NH2+][C@@H](c1ccccc1C)[C@@H](O)CN 259589530 573985194 /nfs/dbraw/zinc/98/51/94/573985194.db2.gz XSGHIUSLZYLMCJ-QWRGUYRKSA-N 1 3 194.278 0.575 10 0 ACAEHO CNC[C@@H](C[NH3+])c1ccccn1 258195160 573985400 /nfs/dbraw/zinc/98/54/00/573985400.db2.gz PGIHTRBZEIBNOG-MRVPVSSYSA-N 1 3 165.240 0.343 10 0 ACAEHO C1COC[C@@H](NC[C@H]2CCC[NH2+]C2)C1 87647221 573991110 /nfs/dbraw/zinc/99/11/10/573991110.db2.gz YPKARCVLFDEOKH-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO C1CNC[C@@H](C[NH2+][C@H]2CCCOC2)C1 87647221 573991116 /nfs/dbraw/zinc/99/11/16/573991116.db2.gz YPKARCVLFDEOKH-QWRGUYRKSA-N 1 3 198.310 0.755 10 0 ACAEHO CCCN(CCN(C)C)C[C@@H](C)[NH3+] 45686767 573991288 /nfs/dbraw/zinc/99/12/88/573991288.db2.gz DYQNYAUFBINMHL-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO CC(C)(CO)NC[C@@H]1CCC[NH2+]C1 87646227 573991397 /nfs/dbraw/zinc/99/13/97/573991397.db2.gz AWUNIMCRHPHMMX-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO CC(C)(CO)[NH2+]C[C@@H]1CCCNC1 87646227 573991400 /nfs/dbraw/zinc/99/14/00/573991400.db2.gz AWUNIMCRHPHMMX-SECBINFHSA-N 1 3 186.299 0.347 10 0 ACAEHO CN1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 87646840 573991445 /nfs/dbraw/zinc/99/14/45/573991445.db2.gz GZBUWKIJEOLSKF-GHMZBOCLSA-N 1 3 197.326 0.280 10 0 ACAEHO OC1CC(NC[C@H]2CCC[NH2+]C2)C1 87647592 573991481 /nfs/dbraw/zinc/99/14/81/573991481.db2.gz VJBXTCYESFCEKX-IDKOKCKLSA-N 1 3 184.283 0.099 10 0 ACAEHO OC1CC([NH2+]C[C@H]2CCCNC2)C1 87647592 573991487 /nfs/dbraw/zinc/99/14/87/573991487.db2.gz VJBXTCYESFCEKX-IDKOKCKLSA-N 1 3 184.283 0.099 10 0 ACAEHO CCCN(CCN(C)C)[C@H](C)C[NH3+] 45664229 573991599 /nfs/dbraw/zinc/99/15/99/573991599.db2.gz YCELEMBSMBDAQE-SNVBAGLBSA-N 1 3 187.331 0.607 10 0 ACAEHO OC1CC(NC[C@@H]2CCC[NH2+]C2)C1 87647594 573991601 /nfs/dbraw/zinc/99/16/01/573991601.db2.gz VJBXTCYESFCEKX-XNWIYYODSA-N 1 3 184.283 0.099 10 0 ACAEHO OC1CC([NH2+]C[C@@H]2CCCNC2)C1 87647594 573991608 /nfs/dbraw/zinc/99/16/08/573991608.db2.gz VJBXTCYESFCEKX-XNWIYYODSA-N 1 3 184.283 0.099 10 0 ACAEHO [NH3+]C1CC(N[C@H]2CCCC[C@@H]2O)C1 87651869 573995902 /nfs/dbraw/zinc/99/59/02/573995902.db2.gz XLRDEAIMGFNOJP-QLEHZGMVSA-N 1 3 184.283 0.369 10 0 ACAEHO NC1CC([NH2+][C@H]2CCCC[C@@H]2O)C1 87651869 573995906 /nfs/dbraw/zinc/99/59/06/573995906.db2.gz XLRDEAIMGFNOJP-QLEHZGMVSA-N 1 3 184.283 0.369 10 0 ACAEHO COC[C@@H](C)NC1CC([NH3+])C1 87651067 573995331 /nfs/dbraw/zinc/99/53/31/573995331.db2.gz BBWLXCAQZBRERW-JECWYVHBSA-N 1 3 158.245 0.101 10 0 ACAEHO [NH3+]C1CC(N[C@@H]2CCC[C@@H](O)C2)C1 87651592 573995366 /nfs/dbraw/zinc/99/53/66/573995366.db2.gz MONYMVJTKGWZFD-QLVNRRSVSA-N 1 3 184.283 0.369 10 0 ACAEHO NC1CC([NH2+][C@@H]2CCC[C@@H](O)C2)C1 87651592 573995371 /nfs/dbraw/zinc/99/53/71/573995371.db2.gz MONYMVJTKGWZFD-QLVNRRSVSA-N 1 3 184.283 0.369 10 0 ACAEHO C[N@H+](CC[C@@](C)(N)CO)C1CCC1 128018073 573995374 /nfs/dbraw/zinc/99/53/74/573995374.db2.gz OQNZDBKBVCDLDW-SNVBAGLBSA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CC[C@@](C)(N)CO)C1CCC1 128018073 573995377 /nfs/dbraw/zinc/99/53/77/573995377.db2.gz OQNZDBKBVCDLDW-SNVBAGLBSA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@H]1C[C@H]1NC1CC([NH3+])C1 87651876 573995389 /nfs/dbraw/zinc/99/53/89/573995389.db2.gz CEHZEQLVVZBQOH-FACXLHOTSA-N 1 3 140.230 0.474 10 0 ACAEHO C[C@H]1C[C@H]1[NH2+]C1CC(N)C1 87651876 573995390 /nfs/dbraw/zinc/99/53/90/573995390.db2.gz CEHZEQLVVZBQOH-FACXLHOTSA-N 1 3 140.230 0.474 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCC[C@H]2O)C1 87652100 573995400 /nfs/dbraw/zinc/99/54/00/573995400.db2.gz NKLBAPHKBXXOHI-SEZDTBSWSA-N 1 3 184.283 0.227 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCC[C@H]2O)C1 87652100 573995404 /nfs/dbraw/zinc/99/54/04/573995404.db2.gz NKLBAPHKBXXOHI-SEZDTBSWSA-N 1 3 184.283 0.227 10 0 ACAEHO C[N@H+](CC[C@](C)(N)CO)C1CCC1 128018314 573995446 /nfs/dbraw/zinc/99/54/46/573995446.db2.gz OQNZDBKBVCDLDW-JTQLQIEISA-N 1 3 186.299 0.571 10 0 ACAEHO C[N@@H+](CC[C@](C)(N)CO)C1CCC1 128018314 573995450 /nfs/dbraw/zinc/99/54/50/573995450.db2.gz OQNZDBKBVCDLDW-JTQLQIEISA-N 1 3 186.299 0.571 10 0 ACAEHO C[C@@H](NC1CC([NH3+])C1)[C@@H]1CCCO1 87651283 573995511 /nfs/dbraw/zinc/99/55/11/573995511.db2.gz DMSPPZABTCMLIR-WOOKNIGNSA-N 1 3 184.283 0.633 10 0 ACAEHO C[C@@H]1C[C@@H]1NC1CC([NH3+])C1 87651873 573995539 /nfs/dbraw/zinc/99/55/39/573995539.db2.gz CEHZEQLVVZBQOH-CQRKAFIDSA-N 1 3 140.230 0.474 10 0 ACAEHO C[C@@H]1C[C@@H]1[NH2+]C1CC(N)C1 87651873 573995541 /nfs/dbraw/zinc/99/55/41/573995541.db2.gz CEHZEQLVVZBQOH-CQRKAFIDSA-N 1 3 140.230 0.474 10 0 ACAEHO CCC[NH2+]C1CC(N)C1 87651019 573995652 /nfs/dbraw/zinc/99/56/52/573995652.db2.gz ACCVNWODAXJTQN-UHFFFAOYSA-N 1 3 128.219 0.476 10 0 ACAEHO CCCNC1CC([NH3+])C1 87651019 573995654 /nfs/dbraw/zinc/99/56/54/573995654.db2.gz ACCVNWODAXJTQN-UHFFFAOYSA-N 1 3 128.219 0.476 10 0 ACAEHO C[C@@H]([NH2+]C1CC(N)C1)C1CC1 87651344 573995744 /nfs/dbraw/zinc/99/57/44/573995744.db2.gz DHRIOJXANUKOGY-KXNKJCORSA-N 1 3 154.257 0.864 10 0 ACAEHO C[C@@H](NC1CC([NH3+])C1)C1CC1 87651344 573995748 /nfs/dbraw/zinc/99/57/48/573995748.db2.gz DHRIOJXANUKOGY-KXNKJCORSA-N 1 3 154.257 0.864 10 0 ACAEHO CC(C)N1CC[C@H](NCCC[NH3+])C1 45654838 573995808 /nfs/dbraw/zinc/99/58/08/573995808.db2.gz ZXMUAMFZQLQOQA-JTQLQIEISA-N 1 3 185.315 0.408 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCCO2)C1 87651157 573995822 /nfs/dbraw/zinc/99/58/22/573995822.db2.gz AJWFPPDYJSBIOT-AMDVSUOASA-N 1 3 170.256 0.245 10 0 ACAEHO NC1CC([NH2+]C[C@H]2CCOC2)C1 87651629 573995835 /nfs/dbraw/zinc/99/58/35/573995835.db2.gz DCCLTBSOIHLOIT-AFPNSQJFSA-N 1 3 170.256 0.102 10 0 ACAEHO [NH3+]C1CC(NC[C@H]2CCOC2)C1 87651629 573995839 /nfs/dbraw/zinc/99/58/39/573995839.db2.gz DCCLTBSOIHLOIT-AFPNSQJFSA-N 1 3 170.256 0.102 10 0 ACAEHO CN1CCC[C@H](N(C)C2CC([NH3+])C2)C1 87653483 574001031 /nfs/dbraw/zinc/00/10/31/574001031.db2.gz MGPFDDSHFCBCAN-YVNMAJEFSA-N 1 3 197.326 0.502 10 0 ACAEHO C[N@H+](CC1CC(O)C1)C1CC(N)C1 87653617 574001065 /nfs/dbraw/zinc/00/10/65/574001065.db2.gz IVHBMQKOCYCZHJ-UHFFFAOYSA-N 1 3 184.283 0.179 10 0 ACAEHO C[N@@H+](CC1CC(O)C1)C1CC(N)C1 87653617 574001070 /nfs/dbraw/zinc/00/10/70/574001070.db2.gz IVHBMQKOCYCZHJ-UHFFFAOYSA-N 1 3 184.283 0.179 10 0 ACAEHO CN1CCC(N(C)C2CC([NH3+])C2)CC1 87653146 574001088 /nfs/dbraw/zinc/00/10/88/574001088.db2.gz OAYRJRLLHNMFQK-UHFFFAOYSA-N 1 3 197.326 0.502 10 0 ACAEHO CN1CCC([N@H+](C)C2CC(N)C2)CC1 87653146 574001092 /nfs/dbraw/zinc/00/10/92/574001092.db2.gz OAYRJRLLHNMFQK-UHFFFAOYSA-N 1 3 197.326 0.502 10 0 ACAEHO CN1CCC([N@@H+](C)C2CC(N)C2)CC1 87653146 574001097 /nfs/dbraw/zinc/00/10/97/574001097.db2.gz OAYRJRLLHNMFQK-UHFFFAOYSA-N 1 3 197.326 0.502 10 0 ACAEHO COC[C@@H]1CC[N@@H+](C2CC(N)C2)C1 87653594 574001223 /nfs/dbraw/zinc/00/12/23/574001223.db2.gz ZJECHLPSCNZVAW-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO COC[C@@H]1CC[N@H+](C2CC(N)C2)C1 87653594 574001227 /nfs/dbraw/zinc/00/12/27/574001227.db2.gz ZJECHLPSCNZVAW-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO COC[C@@H]1CCN(C2CC([NH3+])C2)C1 87653594 574001231 /nfs/dbraw/zinc/00/12/31/574001231.db2.gz ZJECHLPSCNZVAW-XNWIYYODSA-N 1 3 184.283 0.444 10 0 ACAEHO COC1CCN(C2CC([NH3+])C2)CC1 87653207 574001288 /nfs/dbraw/zinc/00/12/88/574001288.db2.gz NLLJDLYIXYNCFR-UHFFFAOYSA-N 1 3 184.283 0.587 10 0 ACAEHO CCN1CCN(C2CC([NH3+])C2)C[C@@H]1C 87653551 574001425 /nfs/dbraw/zinc/00/14/25/574001425.db2.gz WKUDEIIXNRBCFY-WHXUTIOJSA-N 1 3 197.326 0.502 10 0 ACAEHO C[C@@H]1CN(C2CC([NH3+])C2)CCN1C 87653549 574001445 /nfs/dbraw/zinc/00/14/45/574001445.db2.gz RWVRKNHEYIABNR-XNWIYYODSA-N 1 3 183.299 0.112 10 0 ACAEHO [NH3+]C1CC(N2CCCC[C@H]2CO)C1 87653296 574001576 /nfs/dbraw/zinc/00/15/76/574001576.db2.gz XZVKSQCVBVRSLM-KYHHOPLUSA-N 1 3 184.283 0.323 10 0 ACAEHO [NH3+]C1CC(N2CCC[C@H](CO)C2)C1 87653268 574001587 /nfs/dbraw/zinc/00/15/87/574001587.db2.gz QAOICXKYIUTQNP-IDKOKCKLSA-N 1 3 184.283 0.180 10 0 ACAEHO Nc1ccncc1[C@@]1(O)CC[C@H]([NH3+])C1 87654483 574005440 /nfs/dbraw/zinc/00/54/40/574005440.db2.gz FJEIMZCEDGLPQM-OIBJUYFYSA-N 1 3 193.250 0.363 10 0 ACAEHO CCC1CN(C[C@H]2CC[NH2+]C2)C1 87655436 574005630 /nfs/dbraw/zinc/00/56/30/574005630.db2.gz WWBXHYIANQETFJ-JTQLQIEISA-N 1 3 168.284 0.938 10 0 ACAEHO C[C@H]1CCN1C[C@@H]1CC[NH2+]C1 87655448 574005824 /nfs/dbraw/zinc/00/58/24/574005824.db2.gz MOMNDPKZPWXPCP-DTWKUNHWSA-N 1 3 154.257 0.690 10 0 ACAEHO CCn1ccnc1NC[C@H]1CC[NH2+]C1 87655286 574005943 /nfs/dbraw/zinc/00/59/43/574005943.db2.gz JXONCIUKUJULPR-VIFPVBQESA-N 1 3 194.282 0.924 10 0 ACAEHO [NH3+]C1CC(NC[C@@H]2CCCS2)C1 87667869 574008129 /nfs/dbraw/zinc/00/81/29/574008129.db2.gz OKWZMTCNEQIQFT-HACHORDNSA-N 1 3 186.324 0.961 10 0 ACAEHO NC1CC([NH2+]C[C@@H]2CCCS2)C1 87667869 574008134 /nfs/dbraw/zinc/00/81/34/574008134.db2.gz OKWZMTCNEQIQFT-HACHORDNSA-N 1 3 186.324 0.961 10 0 ACAEHO [NH3+][C@@H](C[C@@H]1CNCCO1)c1cc[nH]c1 259591863 574007668 /nfs/dbraw/zinc/00/76/68/574007668.db2.gz WRRUKRKIMQPVFG-ZJUUUORDSA-N 1 3 195.266 0.393 10 0 ACAEHO C[NH2+][C@@H](CCN)C1CCOCC1 259274543 574020548 /nfs/dbraw/zinc/02/05/48/574020548.db2.gz HEYILKWVTDQOKN-VIFPVBQESA-N 1 3 172.272 0.350 10 0 ACAEHO C[C@@H]([NH3+])CC(=O)[C@H]1CCCN(C)C1 259274139 574020556 /nfs/dbraw/zinc/02/05/56/574020556.db2.gz UMVJRPRPNPRKBJ-BDAKNGLRSA-N 1 3 184.283 0.635 10 0 ACAEHO CN(C)CCN1C[C@H]([NH3+])CCC1(C)C 259274652 574020965 /nfs/dbraw/zinc/02/09/65/574020965.db2.gz GELIYWVXJWFFOO-SNVBAGLBSA-N 1 3 199.342 0.750 10 0 ACAEHO CN(C[C@@H](N)C[NH3+])C1CCCC1 259279226 574024135 /nfs/dbraw/zinc/02/41/35/574024135.db2.gz ZYFMJQLOPDOISI-QMMMGPOBSA-N 1 3 171.288 0.147 10 0 ACAEHO CN1CC[C@H](C(=O)C(C)(C)CC[NH3+])C1 259279231 574023547 /nfs/dbraw/zinc/02/35/47/574023547.db2.gz UYDSYVRQLFRMRP-VIFPVBQESA-N 1 3 198.310 0.882 10 0 ACAEHO C[NH2+][C@@H](c1cccs1)[C@@H](O)CN 259278944 574023724 /nfs/dbraw/zinc/02/37/24/574023724.db2.gz IFLJEZIGDMLNLJ-POYBYMJQSA-N 1 3 186.280 0.328 10 0 ACAEHO [NH3+]CC1=CCN(C[C@H]2CCCO2)CC1 259278761 574023805 /nfs/dbraw/zinc/02/38/05/574023805.db2.gz SSDDEQLCIFESDQ-LLVKDONJSA-N 1 3 196.294 0.756 10 0 ACAEHO C[NH2+][C@@H](c1cccs1)[C@H](O)CN 259278942 574023828 /nfs/dbraw/zinc/02/38/28/574023828.db2.gz IFLJEZIGDMLNLJ-HTRCEHHLSA-N 1 3 186.280 0.328 10 0 ACAEHO CN(C[C@H](N)C[NH3+])C1CCCC1 259279223 574023923 /nfs/dbraw/zinc/02/39/23/574023923.db2.gz ZYFMJQLOPDOISI-MRVPVSSYSA-N 1 3 171.288 0.147 10 0 ACAEHO C1C[NH2+]C[C@@H](CN[C@H]2CCOC2)C1 87783609 574032537 /nfs/dbraw/zinc/03/25/37/574032537.db2.gz PWEVVZFWOQCPKG-UWVGGRQHSA-N 1 3 184.283 0.365 10 0 ACAEHO C1CNC[C@@H](C[NH2+][C@H]2CCOC2)C1 87783609 574032539 /nfs/dbraw/zinc/03/25/39/574032539.db2.gz PWEVVZFWOQCPKG-UWVGGRQHSA-N 1 3 184.283 0.365 10 0 ACAEHO C[C@H]([NH3+])CSCCN(C)C 85313490 574032870 /nfs/dbraw/zinc/03/28/70/574032870.db2.gz KDYQGTYZEBTDKV-ZETCQYMHSA-N 1 3 162.302 0.628 10 0 ACAEHO C1=C[N@H+]2CCCNC[C@@H]2CC1 143831521 574033086 /nfs/dbraw/zinc/03/30/86/574033086.db2.gz RSRBANRFSDTPPL-VIFPVBQESA-N 1 3 152.241 0.958 10 0 ACAEHO C1=C[N@@H+]2CCCNC[C@@H]2CC1 143831521 574033087 /nfs/dbraw/zinc/03/30/87/574033087.db2.gz RSRBANRFSDTPPL-VIFPVBQESA-N 1 3 152.241 0.958 10 0 ACAEHO C1CC([NH2+][C@H]2CCOC2)CCN1 87783477 574033227 /nfs/dbraw/zinc/03/32/27/574033227.db2.gz QZMDAQNDOWFDIV-VIFPVBQESA-N 1 3 170.256 0.117 10 0 ACAEHO CN(CCF)CC1CC([NH3+])C1 87777367 574033392 /nfs/dbraw/zinc/03/33/92/574033392.db2.gz VOBHVSXRHWXKCJ-UHFFFAOYSA-N 1 3 160.236 0.625 10 0 ACAEHO C[C@@H]([NH3+])CSCCN(C)C 85313492 574033411 /nfs/dbraw/zinc/03/34/11/574033411.db2.gz KDYQGTYZEBTDKV-SSDOTTSWSA-N 1 3 162.302 0.628 10 0 ACAEHO C1C[NH2+]C[C@@H](CN[C@@H]2CCOC2)C1 87783604 574033426 /nfs/dbraw/zinc/03/34/26/574033426.db2.gz PWEVVZFWOQCPKG-VHSXEESVSA-N 1 3 184.283 0.365 10 0 ACAEHO C1CNC[C@@H](C[NH2+][C@@H]2CCOC2)C1 87783604 574033428 /nfs/dbraw/zinc/03/34/28/574033428.db2.gz PWEVVZFWOQCPKG-VHSXEESVSA-N 1 3 184.283 0.365 10 0 ACAEHO C1=C[N@H+]2CCCNC[C@H]2CC1 143831718 574033665 /nfs/dbraw/zinc/03/36/65/574033665.db2.gz RSRBANRFSDTPPL-SECBINFHSA-N 1 3 152.241 0.958 10 0 ACAEHO C1=C[N@@H+]2CCCNC[C@H]2CC1 143831718 574033668 /nfs/dbraw/zinc/03/36/68/574033668.db2.gz RSRBANRFSDTPPL-SECBINFHSA-N 1 3 152.241 0.958 10 0 ACAEHO CN(C)CCSCCC[NH3+] 85315765 574033976 /nfs/dbraw/zinc/03/39/76/574033976.db2.gz LNAFKNDAFWJCJD-UHFFFAOYSA-N 1 3 162.302 0.630 10 0 ACAEHO C1CC([NH2+][C@@H]2CCOC2)CCN1 87783475 574034021 /nfs/dbraw/zinc/03/40/21/574034021.db2.gz QZMDAQNDOWFDIV-SECBINFHSA-N 1 3 170.256 0.117 10 0 ACAEHO O[C@H]1C[NH2+]C[C@H]1CNCC1CCCC1 393608889 574034717 /nfs/dbraw/zinc/03/47/17/574034717.db2.gz RLYZVABEIPVHFH-MNOVXSKESA-N 1 3 198.310 0.347 10 0 ACAEHO O[C@H]1CNC[C@H]1C[NH2+]CC1CCCC1 393608889 574034719 /nfs/dbraw/zinc/03/47/19/574034719.db2.gz RLYZVABEIPVHFH-MNOVXSKESA-N 1 3 198.310 0.347 10 0 ACAEHO C[N@@H+]1CCC[C@@H](N[C@@H]2CCOC2)CC1 87784977 574034738 /nfs/dbraw/zinc/03/47/38/574034738.db2.gz XWISNMLKZHHXTO-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[N@H+]1CCC[C@@H](N[C@@H]2CCOC2)CC1 87784977 574034740 /nfs/dbraw/zinc/03/47/40/574034740.db2.gz XWISNMLKZHHXTO-GHMZBOCLSA-N 1 3 198.310 0.849 10 0 ACAEHO C[C@@H](O)CC(C)(C)C[NH2+]CCCN 393613230 574045106 /nfs/dbraw/zinc/04/51/06/574045106.db2.gz DEGHGBZPMWHCLN-SECBINFHSA-N 1 3 188.315 0.722 10 0 ACAEHO CC[C@H]1C[NH2+]CCN1CCN(C)C 82476536 517836188 /nfs/dbraw/zinc/83/61/88/517836188.db2.gz WHSHPDWKNJXENW-JTQLQIEISA-N 1 3 185.315 0.232 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@@H+]1C 40740159 519099207 /nfs/dbraw/zinc/09/92/07/519099207.db2.gz LTXJSFOJLSNNLC-RNFRBKRXSA-N 1 3 128.219 0.428 10 0 ACAEHO C[C@@H]1CC[C@@H](N)C[N@H+]1C 40740159 519099213 /nfs/dbraw/zinc/09/92/13/519099213.db2.gz LTXJSFOJLSNNLC-RNFRBKRXSA-N 1 3 128.219 0.428 10 0 ACAEHO CCN1CCCC[C@H]1CNC(N)=[NH2+] 306524397 629657817 /nfs/dbraw/zinc/65/78/17/629657817.db2.gz YDJWSILJCGOUFB-QMMMGPOBSA-N 1 3 184.287 0.344 10 0 ACAEHO COCC[N@@H+]1C[C@@H](N)C(C)(C)C1 306847688 629678260 /nfs/dbraw/zinc/67/82/60/629678260.db2.gz LOVXLKZGNRADGB-MRVPVSSYSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@H+]1C[C@@H](N)C(C)(C)C1 306847688 629678271 /nfs/dbraw/zinc/67/82/71/629678271.db2.gz LOVXLKZGNRADGB-MRVPVSSYSA-N 1 3 172.272 0.302 10 0 ACAEHO CCC[C@@H]([NH3+])CCN 78014340 520727039 /nfs/dbraw/zinc/72/70/39/520727039.db2.gz RPLXGDGIXIJNQD-ZCFIWIBFSA-N 1 3 116.208 0.463 10 0 ACAEHO COCC[N@@H+]1C[C@H](N)C(C)(C)C1 306847689 629679655 /nfs/dbraw/zinc/67/96/55/629679655.db2.gz LOVXLKZGNRADGB-QMMMGPOBSA-N 1 3 172.272 0.302 10 0 ACAEHO COCC[N@H+]1C[C@H](N)C(C)(C)C1 306847689 629679662 /nfs/dbraw/zinc/67/96/62/629679662.db2.gz LOVXLKZGNRADGB-QMMMGPOBSA-N 1 3 172.272 0.302 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(C)COC1 307013461 629734489 /nfs/dbraw/zinc/73/44/89/629734489.db2.gz NUNGRJBSOPEHLR-UWVGGRQHSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@H]1NCC1(C)COC1 307013459 629734710 /nfs/dbraw/zinc/73/47/10/629734710.db2.gz NUNGRJBSOPEHLR-NXEZZACHSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(C)COC1 307013463 629735326 /nfs/dbraw/zinc/73/53/26/629735326.db2.gz NUNGRJBSOPEHLR-VHSXEESVSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(C)COC1 307013464 629736124 /nfs/dbraw/zinc/73/61/24/629736124.db2.gz NUNGRJBSOPEHLR-ZJUUUORDSA-N 1 3 198.310 0.753 10 0 ACAEHO C[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1[NH3+] 235333059 629840425 /nfs/dbraw/zinc/84/04/25/629840425.db2.gz WIQCNXZKTLVSQW-VWYCJHECSA-N 1 3 198.310 0.692 10 0 ACAEHO CN1C[C@@H]2CC[C@H](C1)C2[NH2+]CCCO 924536664 629921584 /nfs/dbraw/zinc/92/15/84/629921584.db2.gz SFUAOTRXKWCKQT-ZACCUICWSA-N 1 3 198.310 0.299 10 0 ACAEHO CCC[C@H]([NH3+])CCN 78014339 521120898 /nfs/dbraw/zinc/12/08/98/521120898.db2.gz RPLXGDGIXIJNQD-LURJTMIESA-N 1 3 116.208 0.463 10 0 ACAEHO CC[C@@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 925706000 630038958 /nfs/dbraw/zinc/03/89/58/630038958.db2.gz DNDNTAIZNBRMCA-BBBLOLIVSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 925706000 630038965 /nfs/dbraw/zinc/03/89/65/630038965.db2.gz DNDNTAIZNBRMCA-BBBLOLIVSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 925706004 630039063 /nfs/dbraw/zinc/03/90/63/630039063.db2.gz DNDNTAIZNBRMCA-KXUCPTDWSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 925706004 630039060 /nfs/dbraw/zinc/03/90/60/630039060.db2.gz DNDNTAIZNBRMCA-KXUCPTDWSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 925706006 630039215 /nfs/dbraw/zinc/03/92/15/630039215.db2.gz DNDNTAIZNBRMCA-OPRDCNLKSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 925706006 630039219 /nfs/dbraw/zinc/03/92/19/630039219.db2.gz DNDNTAIZNBRMCA-OPRDCNLKSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 925706008 630039403 /nfs/dbraw/zinc/03/94/03/630039403.db2.gz DNDNTAIZNBRMCA-UTLUCORTSA-N 1 3 198.310 0.617 10 0 ACAEHO CC[C@@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 925706008 630039406 /nfs/dbraw/zinc/03/94/06/630039406.db2.gz DNDNTAIZNBRMCA-UTLUCORTSA-N 1 3 198.310 0.617 10 0 ACAEHO C[C@@H]1[NH2+][C@H](C)CC[C@H]1CN 148661926 630385489 /nfs/dbraw/zinc/38/54/89/630385489.db2.gz NFXCRJIDWMIHNJ-CSMHCCOUSA-N 1 3 142.246 0.722 10 0 ACAEHO C[C@@H]1[NH2+][C@H](C)CC[C@@H]1CN 148661523 630386738 /nfs/dbraw/zinc/38/67/38/630386738.db2.gz NFXCRJIDWMIHNJ-GJMOJQLCSA-N 1 3 142.246 0.722 10 0 ACAEHO C1CCC2(CNC2)C[NH2+]C1 59711614 630831133 /nfs/dbraw/zinc/83/11/33/630831133.db2.gz JGKKUJAGDHDVCP-UHFFFAOYSA-N 1 3 140.230 0.350 10 0 ACAEHO OCCN1CCCC[C@]2(CC[NH2+]C2)C1 923427908 630896043 /nfs/dbraw/zinc/89/60/43/630896043.db2.gz LZWVLLRXWXEHMD-LLVKDONJSA-N 1 3 198.310 0.444 10 0 ACAEHO OCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 923364687 630897031 /nfs/dbraw/zinc/89/70/31/630897031.db2.gz PPOSMPBDGDUHHB-QWRGUYRKSA-N 1 3 198.310 0.443 10 0 ACAEHO OCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 923364685 630897436 /nfs/dbraw/zinc/89/74/36/630897436.db2.gz PPOSMPBDGDUHHB-GHMZBOCLSA-N 1 3 198.310 0.443 10 0 ACAEHO OCCN1CCCC[C@@]2(CC[NH2+]C2)C1 923427909 630897728 /nfs/dbraw/zinc/89/77/28/630897728.db2.gz LZWVLLRXWXEHMD-NSHDSACASA-N 1 3 198.310 0.444 10 0 ACAEHO OCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 923364688 630897777 /nfs/dbraw/zinc/89/77/77/630897777.db2.gz PPOSMPBDGDUHHB-WDEREUQCSA-N 1 3 198.310 0.443 10 0 ACAEHO OCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 923364686 630898333 /nfs/dbraw/zinc/89/83/33/630898333.db2.gz PPOSMPBDGDUHHB-MNOVXSKESA-N 1 3 198.310 0.443 10 0 ACAEHO CCCCCN1CCNCC[NH2+]CC1 923465542 630901327 /nfs/dbraw/zinc/90/13/27/630901327.db2.gz HHQDSEIMLUOHTK-UHFFFAOYSA-N 1 3 199.342 0.671 10 0 ACAEHO C[C@@H]1CC[C@@H]([NH3+])[C@H]1CN 238850872 524601006 /nfs/dbraw/zinc/60/10/06/524601006.db2.gz DCIDJZAMMCGYCL-DSYKOEDSSA-N 1 3 128.219 0.319 10 0 ACAEHO Nc1cccc([C@@H]2CNC[C@@H]([NH3+])C2)c1 757212285 630933356 /nfs/dbraw/zinc/93/33/56/630933356.db2.gz HSWWTILYBZKZOZ-ONGXEEELSA-N 1 3 191.278 0.673 10 0 ACAEHO Nc1cccc([C@@H]2CNC[C@H]([NH3+])C2)c1 757212276 630933452 /nfs/dbraw/zinc/93/34/52/630933452.db2.gz HSWWTILYBZKZOZ-GXSJLCMTSA-N 1 3 191.278 0.673 10 0 ACAEHO N[C@@H]1CC[NH2+][C@@H](C2CCOCC2)C1 757212212 630933488 /nfs/dbraw/zinc/93/34/88/630933488.db2.gz MQOHGGIFKFAEFV-NXEZZACHSA-N 1 3 184.283 0.492 10 0 ACAEHO [NH3+][C@H]1CNC[C@@H](C2CCOCC2)C1 757211968 630933537 /nfs/dbraw/zinc/93/35/37/630933537.db2.gz LBOGDYGXSIFBJF-VHSXEESVSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+][C@H]1CNC[C@H](C2CCOCC2)C1 757211960 630933612 /nfs/dbraw/zinc/93/36/12/630933612.db2.gz LBOGDYGXSIFBJF-NXEZZACHSA-N 1 3 184.283 0.350 10 0 ACAEHO Nc1cccc([C@H]2CNC[C@@H]([NH3+])C2)c1 757212280 630933728 /nfs/dbraw/zinc/93/37/28/630933728.db2.gz HSWWTILYBZKZOZ-KOLCDFICSA-N 1 3 191.278 0.673 10 0 ACAEHO [NH3+][C@@H]1CNC[C@H](C2CCOCC2)C1 757211980 630933781 /nfs/dbraw/zinc/93/37/81/630933781.db2.gz LBOGDYGXSIFBJF-ZJUUUORDSA-N 1 3 184.283 0.350 10 0 ACAEHO [NH3+][C@@H]1CNC[C@@H](C2CCOCC2)C1 757211964 630933820 /nfs/dbraw/zinc/93/38/20/630933820.db2.gz LBOGDYGXSIFBJF-UWVGGRQHSA-N 1 3 184.283 0.350 10 0 ACAEHO C[C@H](CO)N[C@@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C 925612321 631044097 /nfs/dbraw/zinc/04/40/97/631044097.db2.gz JMFBDKBLRHFTMT-ZKKRXERASA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@H]1[C@@H](N[C@H](C)CO)C[C@@H]2CC[C@H]1[NH2+]2 925612320 631045420 /nfs/dbraw/zinc/04/54/20/631045420.db2.gz JMFBDKBLRHFTMT-NZFPMDFQSA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@@H](CO)N[C@@H]1C[C@@H]([NH3+])C12CCC2 925617155 631046102 /nfs/dbraw/zinc/04/61/02/631046102.db2.gz VKETVQFITDIXDH-DJLDLDEBSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 925617155 631046106 /nfs/dbraw/zinc/04/61/06/631046106.db2.gz VKETVQFITDIXDH-DJLDLDEBSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H](CO)N[C@H]1C[C@@H]2CC[C@@H]([NH2+]2)[C@@H]1C 925612319 631046697 /nfs/dbraw/zinc/04/66/97/631046697.db2.gz JMFBDKBLRHFTMT-KJPMQGKISA-N 1 3 198.310 0.486 10 0 ACAEHO C[C@@H](CO)N[C@@H]1C[C@H]([NH3+])C12CCC2 925617156 631046831 /nfs/dbraw/zinc/04/68/31/631046831.db2.gz VKETVQFITDIXDH-XHNCKOQMSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 925617156 631046837 /nfs/dbraw/zinc/04/68/37/631046837.db2.gz VKETVQFITDIXDH-XHNCKOQMSA-N 1 3 184.283 0.227 10 0 ACAEHO COC[C@@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 925631318 631047156 /nfs/dbraw/zinc/04/71/56/631047156.db2.gz UNQWRGJRIMWXSG-KXUCPTDWSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 925631318 631047159 /nfs/dbraw/zinc/04/71/59/631047159.db2.gz UNQWRGJRIMWXSG-KXUCPTDWSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 925631320 631047262 /nfs/dbraw/zinc/04/72/62/631047262.db2.gz UNQWRGJRIMWXSG-OPRDCNLKSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 925631320 631047266 /nfs/dbraw/zinc/04/72/66/631047266.db2.gz UNQWRGJRIMWXSG-OPRDCNLKSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H](CO)N[C@H]1C[C@H]([NH3+])C12CCC2 925617154 631047753 /nfs/dbraw/zinc/04/77/53/631047753.db2.gz VKETVQFITDIXDH-CIUDSAMLSA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](CO)[NH2+][C@H]1C[C@H](N)C12CCC2 925617154 631047757 /nfs/dbraw/zinc/04/77/57/631047757.db2.gz VKETVQFITDIXDH-CIUDSAMLSA-N 1 3 184.283 0.227 10 0 ACAEHO COC[C@@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 925631317 631047899 /nfs/dbraw/zinc/04/78/99/631047899.db2.gz UNQWRGJRIMWXSG-BBBLOLIVSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 925631317 631047905 /nfs/dbraw/zinc/04/79/05/631047905.db2.gz UNQWRGJRIMWXSG-BBBLOLIVSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 925631321 631048445 /nfs/dbraw/zinc/04/84/45/631048445.db2.gz UNQWRGJRIMWXSG-UTLUCORTSA-N 1 3 198.310 0.881 10 0 ACAEHO COC[C@@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 925631321 631048447 /nfs/dbraw/zinc/04/84/47/631048447.db2.gz UNQWRGJRIMWXSG-UTLUCORTSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@@H](CO)N[C@H]1C[C@@H]([NH3+])C12CCC2 925617157 631048505 /nfs/dbraw/zinc/04/85/05/631048505.db2.gz VKETVQFITDIXDH-YIZRAAEISA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 925617157 631048509 /nfs/dbraw/zinc/04/85/09/631048509.db2.gz VKETVQFITDIXDH-YIZRAAEISA-N 1 3 184.283 0.227 10 0 ACAEHO C[C@H]1[C@H](N[C@H](C)CO)C[C@@H]2CC[C@H]1[NH2+]2 925612318 631048663 /nfs/dbraw/zinc/04/86/63/631048663.db2.gz JMFBDKBLRHFTMT-KAMPLNKDSA-N 1 3 198.310 0.486 10 0 ACAEHO CO[C@@H](C)CN[C@H]1C[C@@H]([NH3+])C12CCC2 925712209 631049131 /nfs/dbraw/zinc/04/91/31/631049131.db2.gz QIHOPGPNNVLHNN-AEJSXWLSSA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)C[NH2+][C@H]1C[C@@H](N)C12CCC2 925712209 631049136 /nfs/dbraw/zinc/04/91/36/631049136.db2.gz QIHOPGPNNVLHNN-AEJSXWLSSA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)CN[C@H]1C[C@H]([NH3+])C12CCC2 925712210 631049347 /nfs/dbraw/zinc/04/93/47/631049347.db2.gz QIHOPGPNNVLHNN-GUBZILKMSA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)C[NH2+][C@H]1C[C@H](N)C12CCC2 925712210 631049351 /nfs/dbraw/zinc/04/93/51/631049351.db2.gz QIHOPGPNNVLHNN-GUBZILKMSA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)CN[C@@H]1C[C@H]([NH3+])C12CCC2 925712214 631050089 /nfs/dbraw/zinc/05/00/89/631050089.db2.gz QIHOPGPNNVLHNN-LPEHRKFASA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)C[NH2+][C@@H]1C[C@H](N)C12CCC2 925712214 631050096 /nfs/dbraw/zinc/05/00/96/631050096.db2.gz QIHOPGPNNVLHNN-LPEHRKFASA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 925712212 631051194 /nfs/dbraw/zinc/05/11/94/631051194.db2.gz QIHOPGPNNVLHNN-IVZWLZJFSA-N 1 3 198.310 0.881 10 0 ACAEHO CO[C@@H](C)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 925712212 631051199 /nfs/dbraw/zinc/05/11/99/631051199.db2.gz QIHOPGPNNVLHNN-IVZWLZJFSA-N 1 3 198.310 0.881 10 0 ACAEHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 925784548 631052410 /nfs/dbraw/zinc/05/24/10/631052410.db2.gz HBNOFSLBGYDMCC-KHQFGBGNSA-N 1 3 168.284 0.982 10 0 ACAEHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CC1 925784550 631053828 /nfs/dbraw/zinc/05/38/28/631053828.db2.gz HBNOFSLBGYDMCC-NQMVMOMDSA-N 1 3 168.284 0.982 10 0 ACAEHO C[NH+](C)[C@H]1[C@@H]2CN([C@H]3CCOC3)C[C@@H]21 931276749 631121612 /nfs/dbraw/zinc/12/16/12/631121612.db2.gz CXTPDALPHWTDAW-UKKRHICBSA-N 1 3 196.294 0.267 10 0 ACAEHO C[NH+](C)[C@H]1[C@@H]2CN([C@@H]3CCOC3)C[C@@H]21 931276750 631121700 /nfs/dbraw/zinc/12/17/00/631121700.db2.gz CXTPDALPHWTDAW-ZNSHCXBVSA-N 1 3 196.294 0.267 10 0 ACAEHO [NH3+]C[C@@H]1CCN(C[C@H]2CCCO2)C1 247662652 631160787 /nfs/dbraw/zinc/16/07/87/631160787.db2.gz UJRONJOYJYTSIW-VHSXEESVSA-N 1 3 184.283 0.446 10 0 ACAEHO [NH3+]C[C@H]1CCCN(C[C@H]2CCCO2)C1 251209716 631162740 /nfs/dbraw/zinc/16/27/40/631162740.db2.gz LELVGTQSKZJIGK-GHMZBOCLSA-N 1 3 198.310 0.836 10 0 ACAEHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCCO2)C1 251209720 631163068 /nfs/dbraw/zinc/16/30/68/631163068.db2.gz LELVGTQSKZJIGK-WDEREUQCSA-N 1 3 198.310 0.836 10 0 ACAEHO CC[C@H](N)C[N@H+](C)CCCOC 62030330 1224171709 /nfs/dbraw/zinc/17/17/09/1224171709.db2.gz HHMCAVFSAOKHNX-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CC[C@H](N)C[N@@H+](C)CCCOC 62030330 1224171712 /nfs/dbraw/zinc/17/17/12/1224171712.db2.gz HHMCAVFSAOKHNX-VIFPVBQESA-N 1 3 174.288 0.692 10 0 ACAEHO CN(CCC[NH+](C)C)CC(C)(C)O 82542924 1224177718 /nfs/dbraw/zinc/17/77/18/1224177718.db2.gz QTTRLFJJJWLBNB-UHFFFAOYSA-N 1 3 188.315 0.641 10 0 ACAEHO CN(CC[NH3+])c1cc(N)ccn1 82632999 1224178009 /nfs/dbraw/zinc/17/80/09/1224178009.db2.gz KLXXTYOUSFUMBH-UHFFFAOYSA-N 1 3 166.228 0.059 10 0 ACAEHO COC(C)(C)CNC1CC[NH2+]CC1 158957328 1224190616 /nfs/dbraw/zinc/19/06/16/1224190616.db2.gz CVQDSJCLDNWVRZ-UHFFFAOYSA-N 1 3 186.299 0.753 10 0 ACAEHO COC(C)(C)C[NH2+]C1CCNCC1 158957328 1224190613 /nfs/dbraw/zinc/19/06/13/1224190613.db2.gz CVQDSJCLDNWVRZ-UHFFFAOYSA-N 1 3 186.299 0.753 10 0 ACAEHO CC1(C)[C@H](O)C[C@H]1NC1CC[NH2+]CC1 168166404 1224199760 /nfs/dbraw/zinc/19/97/60/1224199760.db2.gz WRLIOCIQTMNTHI-NXEZZACHSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCNCC1 168166404 1224199765 /nfs/dbraw/zinc/19/97/65/1224199765.db2.gz WRLIOCIQTMNTHI-NXEZZACHSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@@H](O)C[C@H]1NC1CC[NH2+]CC1 168166266 1224199846 /nfs/dbraw/zinc/19/98/46/1224199846.db2.gz WRLIOCIQTMNTHI-ZJUUUORDSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@@H](O)C[C@H]1[NH2+]C1CCNCC1 168166266 1224199851 /nfs/dbraw/zinc/19/98/51/1224199851.db2.gz WRLIOCIQTMNTHI-ZJUUUORDSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@@H](O)C[C@@H]1NC1CC[NH2+]CC1 168166335 1224199953 /nfs/dbraw/zinc/19/99/53/1224199953.db2.gz WRLIOCIQTMNTHI-UWVGGRQHSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCNCC1 168166335 1224199957 /nfs/dbraw/zinc/19/99/57/1224199957.db2.gz WRLIOCIQTMNTHI-UWVGGRQHSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@@H](NC2CC[NH2+]CC2)C[C@H]1O 168166449 1224199975 /nfs/dbraw/zinc/19/99/75/1224199975.db2.gz WRLIOCIQTMNTHI-VHSXEESVSA-N 1 3 198.310 0.487 10 0 ACAEHO CC1(C)[C@@H]([NH2+]C2CCNCC2)C[C@H]1O 168166449 1224199980 /nfs/dbraw/zinc/19/99/80/1224199980.db2.gz WRLIOCIQTMNTHI-VHSXEESVSA-N 1 3 198.310 0.487 10 0 ACAEHO [NH3+]C[C@@H]1CNCCC1(F)F 213665142 1224216317 /nfs/dbraw/zinc/21/63/17/1224216317.db2.gz VRYNZEUSPDOZOC-RXMQYKEDSA-N 1 3 150.172 0.190 10 0 ACAEHO [NH3+]C[C@H]1CNCCC1(F)F 213665084 1224216438 /nfs/dbraw/zinc/21/64/38/1224216438.db2.gz VRYNZEUSPDOZOC-YFKPBYRVSA-N 1 3 150.172 0.190 10 0 ACAEHO C[C@H](O)CN[C@H]1CCCC[C@H]1[NH3+] 306491809 1224262162 /nfs/dbraw/zinc/26/21/62/1224262162.db2.gz MPAVTOVXHPGDRC-YIZRAAEISA-N 1 3 172.272 0.227 10 0 ACAEHO CN1CCC[C@@H]([NH2+]C2CN(C)C2)CC1 306644641 1224270127 /nfs/dbraw/zinc/27/01/27/1224270127.db2.gz AGAJRBFAZWPQOF-SNVBAGLBSA-N 1 3 197.326 0.374 10 0 ACAEHO CN1CCC[C@H]([NH2+]C2CN(C)C2)CC1 306644627 1224270595 /nfs/dbraw/zinc/27/05/95/1224270595.db2.gz AGAJRBFAZWPQOF-JTQLQIEISA-N 1 3 197.326 0.374 10 0 ACAEHO C[C@@H]([NH2+]C1CCNCC1)C(C)(C)O 306815257 1224273103 /nfs/dbraw/zinc/27/31/03/1224273103.db2.gz DEJLJMSMHOLXGL-MRVPVSSYSA-N 1 3 186.299 0.487 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@@H+]1[C@H]1COC(C)(C)C1 307069084 1224275212 /nfs/dbraw/zinc/27/52/12/1224275212.db2.gz ZDBOZLHTQPCNLR-OPRDCNLKSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@H+]1[C@H]1COC(C)(C)C1 307069084 1224275219 /nfs/dbraw/zinc/27/52/19/1224275219.db2.gz ZDBOZLHTQPCNLR-OPRDCNLKSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@@H+]1[C@@H]1COC(C)(C)C1 307069083 1224275353 /nfs/dbraw/zinc/27/53/53/1224275353.db2.gz ZDBOZLHTQPCNLR-KXUCPTDWSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1[C@H](N)CC[N@H+]1[C@@H]1COC(C)(C)C1 307069083 1224275358 /nfs/dbraw/zinc/27/53/58/1224275358.db2.gz ZDBOZLHTQPCNLR-KXUCPTDWSA-N 1 3 198.310 0.975 10 0 ACAEHO C[C@@H]1[C@H](N)CCC[N@@H+]1CCCO 307107749 1224276011 /nfs/dbraw/zinc/27/60/11/1224276011.db2.gz GADVKXUJFMSVJU-RKDXNWHRSA-N 1 3 172.272 0.180 10 0 ACAEHO 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/nfs/dbraw/zinc/27/67/43/1224276743.db2.gz GADVKXUJFMSVJU-IUCAKERBSA-N 1 3 172.272 0.180 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@H]2COC(C)(C)C2)C[C@H]1N 307561580 1224287452 /nfs/dbraw/zinc/28/74/52/1224287452.db2.gz TUCGPUCPBJCBQS-OPRDCNLKSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1C[N@H+]([C@H]2COC(C)(C)C2)C[C@H]1N 307561580 1224287457 /nfs/dbraw/zinc/28/74/57/1224287457.db2.gz TUCGPUCPBJCBQS-OPRDCNLKSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1C[N@@H+]([C@@H]2COC(C)(C)C2)C[C@H]1N 307561579 1224287595 /nfs/dbraw/zinc/28/75/95/1224287595.db2.gz TUCGPUCPBJCBQS-KXUCPTDWSA-N 1 3 198.310 0.833 10 0 ACAEHO C[C@@H]1C[N@H+]([C@@H]2COC(C)(C)C2)C[C@H]1N 307561579 1224287601 /nfs/dbraw/zinc/28/76/01/1224287601.db2.gz TUCGPUCPBJCBQS-KXUCPTDWSA-N 1 3 198.310 0.833 10 0 ACAEHO Cc1cnc(N2CC[C@@H]([NH3+])C2)cc1N 1156228044 1224371662 /nfs/dbraw/zinc/37/16/62/1224371662.db2.gz ZZMGRFQNPXTVDY-MRVPVSSYSA-N 1 3 192.266 0.510 10 0 ACAEHO Cc1cnc(N2CC[C@H]([NH3+])C2)cc1N 1156228046 1224372583 /nfs/dbraw/zinc/37/25/83/1224372583.db2.gz ZZMGRFQNPXTVDY-QMMMGPOBSA-N 1 3 192.266 0.510 10 0 ACAEHO