smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CC[C@@H]2C[NH2+]CC[C@H]21 25874319 537787199 /nfs/dbraw/zinc/78/71/99/537787199.db2.gz XQWKRSKHVSLUER-BWZBUEFSSA-N 2 0 140.230 0.333 20 0 ACADRP [NH3+][C@@H]1CC[C@H]2C[NH2+]CC[C@@H]12 25874327 537787378 /nfs/dbraw/zinc/78/73/78/537787378.db2.gz XQWKRSKHVSLUER-XLPZGREQSA-N 2 0 140.230 0.333 20 0 ACADRP CC(C)C[C@H]([NH3+])CC[NH3+] 34410437 537792278 /nfs/dbraw/zinc/79/22/78/537792278.db2.gz VIZDVWMUBSZSMV-SSDOTTSWSA-N 2 0 130.235 0.709 20 0 ACADRP CCC[N@H+](CCO)CCC[NH3+] 34960372 537797043 /nfs/dbraw/zinc/79/70/43/537797043.db2.gz TXIRODWUSNYLET-UHFFFAOYSA-N 2 0 160.261 0.040 20 0 ACADRP CC(C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 36950329 537805174 /nfs/dbraw/zinc/80/51/74/537805174.db2.gz VYOWULYDUUSORU-SNVBAGLBSA-N 2 0 186.299 0.441 20 0 ACADRP CC(C)[NH2+]C[C@H](O)C[NH+]1CCCC1 36950328 537807736 /nfs/dbraw/zinc/80/77/36/537807736.db2.gz VYOWULYDUUSORU-JTQLQIEISA-N 2 0 186.299 0.441 20 0 ACADRP C[C@H]([NH2+]CCO)C1CC[NH+](C)CC1 37222095 537812348 /nfs/dbraw/zinc/81/23/48/537812348.db2.gz JJDXTXCSISRTIJ-VIFPVBQESA-N 2 0 186.299 0.299 20 0 ACADRP C[C@H](CNC1CC[NH+](C)CC1)[NH+](C)C 38088983 537828369 /nfs/dbraw/zinc/82/83/69/537828369.db2.gz ZPFUJGAKYUZLEW-SNVBAGLBSA-N 2 0 199.342 0.620 20 0 ACADRP COCC[C@H](C)[NH2+]CCC[NH+](C)C 45017896 537853101 /nfs/dbraw/zinc/85/31/01/537853101.db2.gz ZTLRKWQWUQEONI-JTQLQIEISA-N 2 0 188.315 0.953 20 0 ACADRP COCC[C@@H](C)[NH2+]CCC[NH+](C)C 45017898 537853453 /nfs/dbraw/zinc/85/34/53/537853453.db2.gz ZTLRKWQWUQEONI-SNVBAGLBSA-N 2 0 188.315 0.953 20 0 ACADRP C[C@@H]1C[C@](O)(CC[NH3+])CC[N@@H+]1C 74309893 537865252 /nfs/dbraw/zinc/86/52/52/537865252.db2.gz XSCXCSYIIOPRDE-BDAKNGLRSA-N 2 0 172.272 0.180 20 0 ACADRP C[C@@H]1C[C@H]([NH+](C)C)CC[NH2+]1 73657571 537865371 /nfs/dbraw/zinc/86/53/71/537865371.db2.gz QIUDCUSVPLSQSU-HTQZYQBOSA-N 2 0 142.246 0.689 20 0 ACADRP C[C@@H]1C[C@H](N2CC[NH2+]CC2)CC[NH2+]1 73657507 537866146 /nfs/dbraw/zinc/86/61/46/537866146.db2.gz VRDWEYFWNSXMFS-NXEZZACHSA-N 2 0 183.299 0.032 20 0 ACADRP C[C@H]1C[C@](O)(CC[NH3+])CC[N@@H+]1C 74309894 537866408 /nfs/dbraw/zinc/86/64/08/537866408.db2.gz XSCXCSYIIOPRDE-IUCAKERBSA-N 2 0 172.272 0.180 20 0 ACADRP C[C@@H]1C[C@@](O)(CC[NH3+])CC[N@@H+]1C 74309895 537866419 /nfs/dbraw/zinc/86/64/19/537866419.db2.gz XSCXCSYIIOPRDE-RKDXNWHRSA-N 2 0 172.272 0.180 20 0 ACADRP C[C@H]1C[C@@H](N2CC[NH2+]CC2)CC[NH2+]1 73657514 537866488 /nfs/dbraw/zinc/86/64/88/537866488.db2.gz VRDWEYFWNSXMFS-UWVGGRQHSA-N 2 0 183.299 0.032 20 0 ACADRP C[C@@H]1C[C@@H]([NH+](C)C)CC[NH2+]1 73657581 537866811 /nfs/dbraw/zinc/86/68/11/537866811.db2.gz QIUDCUSVPLSQSU-SFYZADRCSA-N 2 0 142.246 0.689 20 0 ACADRP C[C@H]1C[C@@H]([NH+](C)C)CC[NH2+]1 73657584 537867582 /nfs/dbraw/zinc/86/75/82/537867582.db2.gz QIUDCUSVPLSQSU-YUMQZZPRSA-N 2 0 142.246 0.689 20 0 ACADRP C[C@H]1C[C@H](N2CC[NH2+]CC2)CC[NH2+]1 73657509 537867922 /nfs/dbraw/zinc/86/79/22/537867922.db2.gz VRDWEYFWNSXMFS-VHSXEESVSA-N 2 0 183.299 0.032 20 0 ACADRP C[C@H]1C[C@H]([NH+](C)C)CC[NH2+]1 73657574 537868044 /nfs/dbraw/zinc/86/80/44/537868044.db2.gz QIUDCUSVPLSQSU-JGVFFNPUSA-N 2 0 142.246 0.689 20 0 ACADRP C[C@H]1C[C@@](O)(CC[NH3+])CC[N@@H+]1C 74309897 537868882 /nfs/dbraw/zinc/86/88/82/537868882.db2.gz XSCXCSYIIOPRDE-DTWKUNHWSA-N 2 0 172.272 0.180 20 0 ACADRP C1C[NH2+]C[C@H](C2CC[NH2+]CC2)C1 80058780 537877897 /nfs/dbraw/zinc/87/78/97/537877897.db2.gz XYHYGLGHYZQJBC-SNVBAGLBSA-N 2 0 168.284 0.986 20 0 ACADRP C1C[NH2+]C[C@@H](C2CC[NH2+]CC2)C1 80058775 537878188 /nfs/dbraw/zinc/87/81/88/537878188.db2.gz XYHYGLGHYZQJBC-JTQLQIEISA-N 2 0 168.284 0.986 20 0 ACADRP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC1 82560528 537884114 /nfs/dbraw/zinc/88/41/14/537884114.db2.gz WMXHCDXOKJTPPA-HTQZYQBOSA-N 2 0 154.257 0.594 20 0 ACADRP C[C@H](C[NH3+])C1(O)CC[NH+](C)CC1 82633888 537884850 /nfs/dbraw/zinc/88/48/50/537884850.db2.gz NLICXFJYIMOUGP-MRVPVSSYSA-N 2 0 172.272 0.038 20 0 ACADRP CC[C@@H](C[NH3+])C1(O)CC[NH+](C)CC1 82635944 537885996 /nfs/dbraw/zinc/88/59/96/537885996.db2.gz XQNAADLFJXMOTP-VIFPVBQESA-N 2 0 186.299 0.428 20 0 ACADRP CC[C@H](C[NH3+])C1(O)CC[NH+](C)CC1 82635945 537886024 /nfs/dbraw/zinc/88/60/24/537886024.db2.gz XQNAADLFJXMOTP-SECBINFHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC1 82560529 537886498 /nfs/dbraw/zinc/88/64/98/537886498.db2.gz WMXHCDXOKJTPPA-JGVFFNPUSA-N 2 0 154.257 0.594 20 0 ACADRP Cc1ncc([C@@H](O)CC[NH3+])n1C 82854477 537888819 /nfs/dbraw/zinc/88/88/19/537888819.db2.gz YKXHZGMRDRPJEK-QMMMGPOBSA-N 2 0 169.228 0.111 20 0 ACADRP Cc1ncc([C@H](O)CC[NH3+])n1C 82854476 537890432 /nfs/dbraw/zinc/89/04/32/537890432.db2.gz YKXHZGMRDRPJEK-MRVPVSSYSA-N 2 0 169.228 0.111 20 0 ACADRP Cc1cnc([C@H](O)CC[NH3+])n1C 82854496 537890701 /nfs/dbraw/zinc/89/07/01/537890701.db2.gz CTNBNEDXCAVGAB-SSDOTTSWSA-N 2 0 169.228 0.111 20 0 ACADRP Cc1cnc([C@@H](O)CC[NH3+])n1C 82854497 537891607 /nfs/dbraw/zinc/89/16/07/537891607.db2.gz CTNBNEDXCAVGAB-ZETCQYMHSA-N 2 0 169.228 0.111 20 0 ACADRP CC[C@H](C[NH3+])C[NH+](C)C 83606614 537901186 /nfs/dbraw/zinc/90/11/86/537901186.db2.gz MRFFRZKALCHLAS-SSDOTTSWSA-N 2 0 130.235 0.533 20 0 ACADRP CC[C@@H](C[NH3+])C[NH+](C)C 83606612 537901986 /nfs/dbraw/zinc/90/19/86/537901986.db2.gz MRFFRZKALCHLAS-ZETCQYMHSA-N 2 0 130.235 0.533 20 0 ACADRP C[C@@](O)(CC[NH3+])[C@H]1CCCC[NH2+]1 84996936 537912820 /nfs/dbraw/zinc/91/28/20/537912820.db2.gz VVFMNHZSAOTGNS-RKDXNWHRSA-N 2 0 172.272 0.228 20 0 ACADRP C[C@@](O)(CC[NH3+])[C@@H]1CCCC[NH2+]1 84996934 537913850 /nfs/dbraw/zinc/91/38/50/537913850.db2.gz VVFMNHZSAOTGNS-DTWKUNHWSA-N 2 0 172.272 0.228 20 0 ACADRP C[C@](O)(CC[NH3+])[C@H]1CCCC[NH2+]1 84996938 537915163 /nfs/dbraw/zinc/91/51/63/537915163.db2.gz VVFMNHZSAOTGNS-BDAKNGLRSA-N 2 0 172.272 0.228 20 0 ACADRP C[C@](O)(CC[NH3+])[C@@H]1CCCC[NH2+]1 84996935 537915686 /nfs/dbraw/zinc/91/56/86/537915686.db2.gz VVFMNHZSAOTGNS-IUCAKERBSA-N 2 0 172.272 0.228 20 0 ACADRP CC[C@](C)(C[NH3+])C1(O)CC[NH2+]CC1 85901240 537916470 /nfs/dbraw/zinc/91/64/70/537916470.db2.gz DYORDSSHNZXVSQ-SECBINFHSA-N 2 0 186.299 0.476 20 0 ACADRP C[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](C2CC2)C1 85901454 537916576 /nfs/dbraw/zinc/91/65/76/537916576.db2.gz LKASWQSCXSNXMG-PSASIEDQSA-N 2 0 184.283 0.180 20 0 ACADRP C[N@@H+]1CC[C@](O)(C2(C[NH3+])CCC2)C1 85901438 537916659 /nfs/dbraw/zinc/91/66/59/537916659.db2.gz CWFSTIRBBTTZST-SNVBAGLBSA-N 2 0 184.283 0.182 20 0 ACADRP CC[C@@](C)(C[NH3+])[C@@]1(O)CC[N@H+](C)C1 85901342 537916771 /nfs/dbraw/zinc/91/67/71/537916771.db2.gz QCQAEGPZOWTEGQ-VHSXEESVSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H](C[NH3+])[C@@]1(O)CC[N@@H+](C2CC2)C1 85901449 537917060 /nfs/dbraw/zinc/91/70/60/537917060.db2.gz LKASWQSCXSNXMG-WCBMZHEXSA-N 2 0 184.283 0.180 20 0 ACADRP C[N@@H+]1CC[C@@](O)(C2(C[NH3+])CCC2)C1 85901440 537917237 /nfs/dbraw/zinc/91/72/37/537917237.db2.gz CWFSTIRBBTTZST-JTQLQIEISA-N 2 0 184.283 0.182 20 0 ACADRP CC[C@H](C[NH3+])C1(O)CC[NH2+]CC1 85901293 537917307 /nfs/dbraw/zinc/91/73/07/537917307.db2.gz KYUUSZMASGIJDH-MRVPVSSYSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@@](C)(C[NH3+])[C@]1(O)CC[N@H+](C)C1 85901337 537917379 /nfs/dbraw/zinc/91/73/79/537917379.db2.gz QCQAEGPZOWTEGQ-UWVGGRQHSA-N 2 0 186.299 0.428 20 0 ACADRP C[N@@H+]1CC[C@@](O)(C(C)(C)C[NH3+])C1 85901353 537917406 /nfs/dbraw/zinc/91/74/06/537917406.db2.gz LIWWNXSIRJAHOK-VIFPVBQESA-N 2 0 172.272 0.038 20 0 ACADRP CC[C@](C)(C[NH3+])[C@]1(O)CC[N@H+](C)C1 85901341 537917570 /nfs/dbraw/zinc/91/75/70/537917570.db2.gz QCQAEGPZOWTEGQ-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H](C[NH3+])[C@]1(O)CC[N@@H+](C2CC2)C1 85901444 537917658 /nfs/dbraw/zinc/91/76/58/537917658.db2.gz LKASWQSCXSNXMG-WPRPVWTQSA-N 2 0 184.283 0.180 20 0 ACADRP [NH3+]CC1(C2(O)CC[NH2+]CC2)CCC1 85901318 537917764 /nfs/dbraw/zinc/91/77/64/537917764.db2.gz LBVLNZCMEVBOSW-UHFFFAOYSA-N 2 0 184.283 0.230 20 0 ACADRP CC[C@@H](C[NH3+])[C@@]1(O)CC[N@H+](C)C1 85901406 537917858 /nfs/dbraw/zinc/91/78/58/537917858.db2.gz YSUJVQUZHFPGQO-DTWKUNHWSA-N 2 0 172.272 0.038 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CC[N@H+](C)C1 85901403 537917956 /nfs/dbraw/zinc/91/79/56/537917956.db2.gz YSUJVQUZHFPGQO-BDAKNGLRSA-N 2 0 172.272 0.038 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CC[N@H+](C)C1 85901409 537917983 /nfs/dbraw/zinc/91/79/83/537917983.db2.gz YSUJVQUZHFPGQO-RKDXNWHRSA-N 2 0 172.272 0.038 20 0 ACADRP CC(C)(C[NH3+])C1(O)CC[NH2+]CC1 85901248 537918030 /nfs/dbraw/zinc/91/80/30/537918030.db2.gz QDLIXCZEIXXVSQ-UHFFFAOYSA-N 2 0 172.272 0.086 20 0 ACADRP C[NH+]1CCC(O)(C(C)(C)C[NH3+])CC1 85900421 537918046 /nfs/dbraw/zinc/91/80/46/537918046.db2.gz APVXPMFTOLANRH-UHFFFAOYSA-N 2 0 186.299 0.428 20 0 ACADRP CC[C@@](C)(C[NH3+])C1(O)CC[NH2+]CC1 85901238 537918104 /nfs/dbraw/zinc/91/81/04/537918104.db2.gz DYORDSSHNZXVSQ-VIFPVBQESA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@@H](C[NH3+])C1(O)CC[NH2+]CC1 85901289 537918123 /nfs/dbraw/zinc/91/81/23/537918123.db2.gz KYUUSZMASGIJDH-QMMMGPOBSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H](C[NH3+])[C@]1(O)CC[N@@H+](C2CC2)C1 85901445 537918190 /nfs/dbraw/zinc/91/81/90/537918190.db2.gz LKASWQSCXSNXMG-SCZZXKLOSA-N 2 0 184.283 0.180 20 0 ACADRP CC[C@@H](C[NH3+])[C@]1(O)CC[N@H+](C)C1 85901399 537918242 /nfs/dbraw/zinc/91/82/42/537918242.db2.gz YSUJVQUZHFPGQO-IUCAKERBSA-N 2 0 172.272 0.038 20 0 ACADRP CC[C@](C)(C[NH3+])[C@@]1(O)CC[N@H+](C)C1 85901345 537918361 /nfs/dbraw/zinc/91/83/61/537918361.db2.gz QCQAEGPZOWTEGQ-NXEZZACHSA-N 2 0 186.299 0.428 20 0 ACADRP C[N@@H+]1CC[C@](O)(C(C)(C)C[NH3+])C1 85901357 537918521 /nfs/dbraw/zinc/91/85/21/537918521.db2.gz LIWWNXSIRJAHOK-SECBINFHSA-N 2 0 172.272 0.038 20 0 ACADRP CC[C@](C)(C[NH3+])[C@@]1(O)CCC[NH2+]C1 85901988 537919297 /nfs/dbraw/zinc/91/92/97/537919297.db2.gz KAZVLDIIPFEYGK-NXEZZACHSA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CCC[NH2+]C1 85902025 537919446 /nfs/dbraw/zinc/91/94/46/537919446.db2.gz UYHGOPYGDSWQOP-BDAKNGLRSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@](C)(C[NH3+])[C@]1(O)CCC[NH2+]C1 85901983 537919754 /nfs/dbraw/zinc/91/97/54/537919754.db2.gz KAZVLDIIPFEYGK-ZJUUUORDSA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@@](C)(C[NH3+])[C@@]1(O)CCC[NH2+]C1 85901986 537919768 /nfs/dbraw/zinc/91/97/68/537919768.db2.gz KAZVLDIIPFEYGK-VHSXEESVSA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@](C)(C[NH3+])[C@]1(O)CC[NH2+]C1 85902073 537919804 /nfs/dbraw/zinc/91/98/04/537919804.db2.gz GSKCRWKZCSWOGD-BDAKNGLRSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@@H](C[NH3+])[C@@]1(O)CCC[NH2+]C1 85902028 537919979 /nfs/dbraw/zinc/91/99/79/537919979.db2.gz UYHGOPYGDSWQOP-DTWKUNHWSA-N 2 0 172.272 0.086 20 0 ACADRP [NH3+]CC1([C@@]2(O)CCC[NH2+]C2)CCC1 85902053 537920004 /nfs/dbraw/zinc/92/00/04/537920004.db2.gz XHLLCJHOMWVYTM-SNVBAGLBSA-N 2 0 184.283 0.230 20 0 ACADRP C[C@H](C[NH3+])[C@@](C)(O)[C@@H]1CCC[NH2+]C1 85902194 537920118 /nfs/dbraw/zinc/92/01/18/537920118.db2.gz REYMRBABUUEBLZ-OPRDCNLKSA-N 2 0 186.299 0.332 20 0 ACADRP C[C@@](O)(CC[NH3+])[C@@H]1CCC[NH2+]C1 85902237 537920131 /nfs/dbraw/zinc/92/01/31/537920131.db2.gz KPUMHLGRYCUXQL-RKDXNWHRSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H](C[NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 85902176 537920347 /nfs/dbraw/zinc/92/03/47/537920347.db2.gz NFNXMTRUFLGOHL-HNJRMYHASA-N 2 0 184.283 0.227 20 0 ACADRP CC[C@](C)(C[NH3+])[C@@]1(O)CC[NH2+]C1 85902076 537920361 /nfs/dbraw/zinc/92/03/61/537920361.db2.gz GSKCRWKZCSWOGD-RKDXNWHRSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H](C[NH3+])[C@](C)(O)[C@@H]1CCC[NH2+]C1 85902190 537920411 /nfs/dbraw/zinc/92/04/11/537920411.db2.gz REYMRBABUUEBLZ-BBBLOLIVSA-N 2 0 186.299 0.332 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CCC[NH2+]C1 85902030 537920522 /nfs/dbraw/zinc/92/05/22/537920522.db2.gz UYHGOPYGDSWQOP-RKDXNWHRSA-N 2 0 172.272 0.086 20 0 ACADRP [NH3+]CC1([C@]2(O)CCC[NH2+]C2)CCC1 85902050 537920605 /nfs/dbraw/zinc/92/06/05/537920605.db2.gz XHLLCJHOMWVYTM-JTQLQIEISA-N 2 0 184.283 0.230 20 0 ACADRP C[C@@](O)(CC[NH3+])[C@H]1CCC[NH2+]C1 85902241 537920743 /nfs/dbraw/zinc/92/07/43/537920743.db2.gz KPUMHLGRYCUXQL-DTWKUNHWSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@](O)(CC[NH3+])[C@H]1CCC[NH2+]C1 85902244 537921097 /nfs/dbraw/zinc/92/10/97/537921097.db2.gz KPUMHLGRYCUXQL-IUCAKERBSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@@](C)(C[NH3+])[C@]1(O)CC[NH2+]C1 85902071 537921158 /nfs/dbraw/zinc/92/11/58/537921158.db2.gz GSKCRWKZCSWOGD-IUCAKERBSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@@H](C[NH3+])[C@]1(O)CCC[NH2+]C1 85902023 537921210 /nfs/dbraw/zinc/92/12/10/537921210.db2.gz UYHGOPYGDSWQOP-IUCAKERBSA-N 2 0 172.272 0.086 20 0 ACADRP CC(C)(C[NH3+])[C@@]1(O)CCC[NH2+]C1 85901995 537921227 /nfs/dbraw/zinc/92/12/27/537921227.db2.gz XQRANQLXSSOKCX-SECBINFHSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@@](C)(C[NH3+])[C@]1(O)CCC[NH2+]C1 85901980 537921278 /nfs/dbraw/zinc/92/12/78/537921278.db2.gz KAZVLDIIPFEYGK-UWVGGRQHSA-N 2 0 186.299 0.476 20 0 ACADRP C[C@@H](C[NH3+])C1(O)C[C@@H]2CC[C@H](C1)[NH2+]2 85902173 537921353 /nfs/dbraw/zinc/92/13/53/537921353.db2.gz NFNXMTRUFLGOHL-IZJGZUANSA-N 2 0 184.283 0.227 20 0 ACADRP [NH3+]CC1([C@]2(O)CC[NH2+]C2)CCCC1 85902063 537921405 /nfs/dbraw/zinc/92/14/05/537921405.db2.gz STHPBTROKQECSL-JTQLQIEISA-N 2 0 184.283 0.230 20 0 ACADRP CC[C@@](C)(C[NH3+])[C@@]1(O)CC[NH2+]C1 85902075 537921434 /nfs/dbraw/zinc/92/14/34/537921434.db2.gz GSKCRWKZCSWOGD-DTWKUNHWSA-N 2 0 172.272 0.086 20 0 ACADRP [NH3+]CC1([C@@]2(O)CC[NH2+]C2)CCCC1 85902065 537921467 /nfs/dbraw/zinc/92/14/67/537921467.db2.gz STHPBTROKQECSL-SNVBAGLBSA-N 2 0 184.283 0.230 20 0 ACADRP C[C@](O)(CC[NH3+])[C@@H]1CCC[NH2+]C1 85902239 537921469 /nfs/dbraw/zinc/92/14/69/537921469.db2.gz KPUMHLGRYCUXQL-BDAKNGLRSA-N 2 0 172.272 0.086 20 0 ACADRP CC(C)(C[NH3+])[C@]1(O)CCC[NH2+]C1 85901994 537921651 /nfs/dbraw/zinc/92/16/51/537921651.db2.gz XQRANQLXSSOKCX-VIFPVBQESA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H](C[NH3+])[C@@]1(O)CCC[N@H+](C)CC1 85922696 537922561 /nfs/dbraw/zinc/92/25/61/537922561.db2.gz TZUIEEWRILLSHL-NXEZZACHSA-N 2 0 186.299 0.428 20 0 ACADRP C[N@@H+]1CCC[C@](O)(CC[NH3+])CC1 85922720 537923065 /nfs/dbraw/zinc/92/30/65/537923065.db2.gz NQXIJXHXQOFEOS-VIFPVBQESA-N 2 0 172.272 0.182 20 0 ACADRP C[N@@H+]1CCC[C@@](O)(CC[NH3+])CC1 85922722 537923776 /nfs/dbraw/zinc/92/37/76/537923776.db2.gz NQXIJXHXQOFEOS-SECBINFHSA-N 2 0 172.272 0.182 20 0 ACADRP CC[N@@H+]1CCC[C@](O)(CC[NH3+])CC1 85922773 537923828 /nfs/dbraw/zinc/92/38/28/537923828.db2.gz HQVCKUDHOGTIEH-JTQLQIEISA-N 2 0 186.299 0.572 20 0 ACADRP C[C@@H](C[NH3+])[C@@]1(O)CCC[N@H+](C)CC1 85922693 537924026 /nfs/dbraw/zinc/92/40/26/537924026.db2.gz TZUIEEWRILLSHL-VHSXEESVSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H](C[NH3+])[C@]1(O)CCC[N@H+](C)CC1 85922688 537924201 /nfs/dbraw/zinc/92/42/01/537924201.db2.gz TZUIEEWRILLSHL-UWVGGRQHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H](C[NH3+])[C@]1(O)CCC[N@H+](C)CC1 85922690 537924518 /nfs/dbraw/zinc/92/45/18/537924518.db2.gz TZUIEEWRILLSHL-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP CC[N@@H+]1CCC[C@@](O)(CC[NH3+])CC1 85922775 537924573 /nfs/dbraw/zinc/92/45/73/537924573.db2.gz HQVCKUDHOGTIEH-SNVBAGLBSA-N 2 0 186.299 0.572 20 0 ACADRP C[C@@H]1CC[C@](C[NH3+])(C2(O)C[NH2+]C2)C1 85923912 537926084 /nfs/dbraw/zinc/92/60/84/537926084.db2.gz WEIIRJHUGFNGLF-BDAKNGLRSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@H]1CC[C@@](C[NH3+])(C2(O)C[NH2+]C2)C1 85923907 537926454 /nfs/dbraw/zinc/92/64/54/537926454.db2.gz WEIIRJHUGFNGLF-DTWKUNHWSA-N 2 0 184.283 0.086 20 0 ACADRP [NH3+]CC1(C2(O)C[NH2+]C2)CCCCC1 85923875 537927414 /nfs/dbraw/zinc/92/74/14/537927414.db2.gz CPRFSYULWNBYRH-UHFFFAOYSA-N 2 0 184.283 0.230 20 0 ACADRP C[C@H]1CC[C@](C[NH3+])(C2(O)C[NH2+]C2)C1 85923916 537928022 /nfs/dbraw/zinc/92/80/22/537928022.db2.gz WEIIRJHUGFNGLF-IUCAKERBSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@@H]1CC[C@@](C[NH3+])(C2(O)C[NH2+]C2)C1 85923902 537928328 /nfs/dbraw/zinc/92/83/28/537928328.db2.gz WEIIRJHUGFNGLF-RKDXNWHRSA-N 2 0 184.283 0.086 20 0 ACADRP C[NH+](C)[C@H]1CCC[C@]([NH3+])(CO)C1 86617065 537933547 /nfs/dbraw/zinc/93/35/47/537933547.db2.gz UQZYAULVAJYXNN-DTWKUNHWSA-N 2 0 172.272 0.180 20 0 ACADRP C[NH+](C)[C@H]1CCC[C@@]([NH3+])(CO)C1 86617067 537934244 /nfs/dbraw/zinc/93/42/44/537934244.db2.gz UQZYAULVAJYXNN-IUCAKERBSA-N 2 0 172.272 0.180 20 0 ACADRP C[NH+](C)[C@@H]1CCC[C@]([NH3+])(CO)C1 86617064 537935148 /nfs/dbraw/zinc/93/51/48/537935148.db2.gz UQZYAULVAJYXNN-RKDXNWHRSA-N 2 0 172.272 0.180 20 0 ACADRP C[NH+](C)[C@@H]1CCC[C@@]([NH3+])(CO)C1 86617066 537935628 /nfs/dbraw/zinc/93/56/28/537935628.db2.gz UQZYAULVAJYXNN-BDAKNGLRSA-N 2 0 172.272 0.180 20 0 ACADRP CC[C@H]1CC[NH2+]C[C@H]1[NH3+] 104586972 537953308 /nfs/dbraw/zinc/95/33/08/537953308.db2.gz RBCAWQWZZBWZOG-NKWVEPMBSA-N 2 0 128.219 0.333 20 0 ACADRP CC[C@@H]1CC[NH2+]C[C@H]1[NH3+] 104585737 537953425 /nfs/dbraw/zinc/95/34/25/537953425.db2.gz RBCAWQWZZBWZOG-RNFRBKRXSA-N 2 0 128.219 0.333 20 0 ACADRP C[N@@H+]1CC[C@H]([NH3+])C12CCCC2 107158244 537958612 /nfs/dbraw/zinc/95/86/12/537958612.db2.gz KJRPVWOHXZUSSI-QMMMGPOBSA-N 2 0 154.257 0.962 20 0 ACADRP [NH3+]CCN1CC[C@@H](C[NH+]2CCCC2)C1 107188225 537958901 /nfs/dbraw/zinc/95/89/01/537958901.db2.gz GCZOTVYOBQMVSK-NSHDSACASA-N 2 0 197.326 0.363 20 0 ACADRP [NH3+]CCN1CC[C@H](C[NH+]2CCCC2)C1 107188228 537959356 /nfs/dbraw/zinc/95/93/56/537959356.db2.gz GCZOTVYOBQMVSK-LLVKDONJSA-N 2 0 197.326 0.363 20 0 ACADRP C[N@@H+]1CC[C@@H]([NH3+])C12CCCC2 107158246 537959665 /nfs/dbraw/zinc/95/96/65/537959665.db2.gz KJRPVWOHXZUSSI-MRVPVSSYSA-N 2 0 154.257 0.962 20 0 ACADRP [NH3+]CC[C@@]1(O)CC[N@@H+]2CCC[C@@H]2C1 107417011 537960638 /nfs/dbraw/zinc/96/06/38/537960638.db2.gz ROBCAKYNSWDWNG-NXEZZACHSA-N 2 0 184.283 0.325 20 0 ACADRP [NH3+]CC[C@@]1(O)CC[N@@H+]2CCCC[C@H]21 107416987 537961156 /nfs/dbraw/zinc/96/11/56/537961156.db2.gz KHRXQGANVDXUSI-VHSXEESVSA-N 2 0 184.283 0.325 20 0 ACADRP [NH3+]CC[C@]1(O)CC[N@@H+]2CCCC[C@H]21 107416989 537961824 /nfs/dbraw/zinc/96/18/24/537961824.db2.gz KHRXQGANVDXUSI-UWVGGRQHSA-N 2 0 184.283 0.325 20 0 ACADRP C[C@H]1C[N@H+](C)CC[C@]1(O)CC[NH3+] 107406854 537962044 /nfs/dbraw/zinc/96/20/44/537962044.db2.gz XHVBJBGPLDNFNV-DTWKUNHWSA-N 2 0 172.272 0.038 20 0 ACADRP [NH3+]CC[C@]1(O)CC[N@@H+]2CCC[C@H]2C1 107417009 537962206 /nfs/dbraw/zinc/96/22/06/537962206.db2.gz ROBCAKYNSWDWNG-UWVGGRQHSA-N 2 0 184.283 0.325 20 0 ACADRP [NH3+]CC[C@]1(O)CC[N@@H+]2CCC[C@@H]2C1 107417006 537962828 /nfs/dbraw/zinc/96/28/28/537962828.db2.gz ROBCAKYNSWDWNG-ZJUUUORDSA-N 2 0 184.283 0.325 20 0 ACADRP [NH3+]CCC1(O)CC[NH+](C2CC2)CC1 107416938 537963157 /nfs/dbraw/zinc/96/31/57/537963157.db2.gz UZBYOARBNRZUSI-UHFFFAOYSA-N 2 0 184.283 0.325 20 0 ACADRP C[C@@H]1C[N@H+](C)CC[C@]1(O)CC[NH3+] 107406851 537963320 /nfs/dbraw/zinc/96/33/20/537963320.db2.gz XHVBJBGPLDNFNV-RKDXNWHRSA-N 2 0 172.272 0.038 20 0 ACADRP [NH3+]CC[C@@]1(O)CC[N@@H+]2CCC[C@H]2C1 107417014 537963796 /nfs/dbraw/zinc/96/37/96/537963796.db2.gz ROBCAKYNSWDWNG-VHSXEESVSA-N 2 0 184.283 0.325 20 0 ACADRP COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 155778545 538012097 /nfs/dbraw/zinc/01/20/97/538012097.db2.gz RVLRUTWVEFIXGP-WDEREUQCSA-N 2 0 198.310 0.849 20 0 ACADRP OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 155821726 538012355 /nfs/dbraw/zinc/01/23/55/538012355.db2.gz MRJCHALIQMKREA-QWRGUYRKSA-N 2 0 198.310 0.585 20 0 ACADRP OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 155821507 538014737 /nfs/dbraw/zinc/01/47/37/538014737.db2.gz MRJCHALIQMKREA-MNOVXSKESA-N 2 0 198.310 0.585 20 0 ACADRP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 155847786 538015186 /nfs/dbraw/zinc/01/51/86/538015186.db2.gz VTGQBTQBKYNELX-GMTAPVOTSA-N 2 0 198.310 0.584 20 0 ACADRP OCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 155821400 538015329 /nfs/dbraw/zinc/01/53/29/538015329.db2.gz MRJCHALIQMKREA-GHMZBOCLSA-N 2 0 198.310 0.585 20 0 ACADRP COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 155778432 538015915 /nfs/dbraw/zinc/01/59/15/538015915.db2.gz RVLRUTWVEFIXGP-GHMZBOCLSA-N 2 0 198.310 0.849 20 0 ACADRP OCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 155821626 538015973 /nfs/dbraw/zinc/01/59/73/538015973.db2.gz MRJCHALIQMKREA-WDEREUQCSA-N 2 0 198.310 0.585 20 0 ACADRP C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 155847916 538016140 /nfs/dbraw/zinc/01/61/40/538016140.db2.gz VTGQBTQBKYNELX-OUAUKWLOSA-N 2 0 198.310 0.584 20 0 ACADRP CC[C@@H](C[NH3+])[C@]1(O)CCC[NH2+]CC1 160712176 538049064 /nfs/dbraw/zinc/04/90/64/538049064.db2.gz RVWIQHOSEBTZJJ-UWVGGRQHSA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CCC[NH2+]CC1 160712299 538049782 /nfs/dbraw/zinc/04/97/82/538049782.db2.gz RVWIQHOSEBTZJJ-ZJUUUORDSA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CCC[NH2+]CC1 160712565 538049941 /nfs/dbraw/zinc/04/99/41/538049941.db2.gz RVWIQHOSEBTZJJ-NXEZZACHSA-N 2 0 186.299 0.476 20 0 ACADRP CC[C@@H](C[NH3+])[C@@]1(O)CCC[NH2+]CC1 160712429 538050471 /nfs/dbraw/zinc/05/04/71/538050471.db2.gz RVWIQHOSEBTZJJ-VHSXEESVSA-N 2 0 186.299 0.476 20 0 ACADRP CC[N@@H+]1CC[C@@H]([NH2+]CCO)[C@H](C)C1 166479124 538161315 /nfs/dbraw/zinc/16/13/15/538161315.db2.gz XZEAYMNOYFJRKK-NXEZZACHSA-N 2 0 186.299 0.299 20 0 ACADRP CC[N@@H+]1CC[C@H]([NH2+]CCO)[C@H](C)C1 166479005 538161811 /nfs/dbraw/zinc/16/18/11/538161811.db2.gz XZEAYMNOYFJRKK-ZJUUUORDSA-N 2 0 186.299 0.299 20 0 ACADRP OCC[NH2+]C1CC[NH+](CC2CC2)CC1 166475361 538163368 /nfs/dbraw/zinc/16/33/68/538163368.db2.gz ZDCZXFGHQFPLQH-UHFFFAOYSA-N 2 0 198.310 0.443 20 0 ACADRP N[C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 211585023 538187746 /nfs/dbraw/zinc/18/77/46/538187746.db2.gz WVQMURCRHXPFND-NXEZZACHSA-N 2 0 180.226 0.840 20 0 ACADRP [NH3+][C@@H]1CC[C@H]2C[NH2+]CC[C@H]12 211959750 538189062 /nfs/dbraw/zinc/18/90/62/538189062.db2.gz XQWKRSKHVSLUER-BIIVOSGPSA-N 2 0 140.230 0.333 20 0 ACADRP N[C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 211584953 538189759 /nfs/dbraw/zinc/18/97/59/538189759.db2.gz WVQMURCRHXPFND-UWVGGRQHSA-N 2 0 180.226 0.840 20 0 ACADRP N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1F 213184665 538190481 /nfs/dbraw/zinc/19/04/81/538190481.db2.gz BSIFABPGHXYPFK-PSASIEDQSA-N 2 0 180.226 0.840 20 0 ACADRP N[C@@H]1C[NH2+]C[C@H]1c1ccccc1F 213184599 538190916 /nfs/dbraw/zinc/19/09/16/538190916.db2.gz BSIFABPGHXYPFK-WCBMZHEXSA-N 2 0 180.226 0.840 20 0 ACADRP N[C@H]1C[NH2+]C[C@H]1c1ccccc1F 213184539 538191636 /nfs/dbraw/zinc/19/16/36/538191636.db2.gz BSIFABPGHXYPFK-WPRPVWTQSA-N 2 0 180.226 0.840 20 0 ACADRP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH3+] 222353022 538194945 /nfs/dbraw/zinc/19/49/45/538194945.db2.gz XKGQCQICBMHYHW-BDAKNGLRSA-N 2 0 174.288 0.284 20 0 ACADRP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH3+] 222353095 538196098 /nfs/dbraw/zinc/19/60/98/538196098.db2.gz XKGQCQICBMHYHW-IUCAKERBSA-N 2 0 174.288 0.284 20 0 ACADRP CC[C@@H]1C[NH2+]CC[C@]1(O)[C@@H](C)C[NH3+] 229828689 538201686 /nfs/dbraw/zinc/20/16/86/538201686.db2.gz JUHZCIABYFXKCX-AEJSXWLSSA-N 2 0 186.299 0.332 20 0 ACADRP C[C@H](CO)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 223031083 538197248 /nfs/dbraw/zinc/19/72/48/538197248.db2.gz YRLUTGGJNALROJ-AEJSXWLSSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 223030965 538197595 /nfs/dbraw/zinc/19/75/95/538197595.db2.gz YRLUTGGJNALROJ-IVZWLZJFSA-N 2 0 186.299 0.474 20 0 ACADRP CC[C@@H]1C[NH2+]CC[C@@]1(O)[C@@H](C)C[NH3+] 229828675 538200936 /nfs/dbraw/zinc/20/09/36/538200936.db2.gz JUHZCIABYFXKCX-IVZWLZJFSA-N 2 0 186.299 0.332 20 0 ACADRP CC[C@H]1C[NH2+]CC[C@@]1(O)CC[NH3+] 229829396 538201114 /nfs/dbraw/zinc/20/11/14/538201114.db2.gz DXLWETLKZBRCGK-IUCAKERBSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@@H]1C[C@](O)(CC[NH3+])C[N@@H+]1C1CC1 229953060 538202062 /nfs/dbraw/zinc/20/20/62/538202062.db2.gz FHNWKWWRYSKYAY-PSASIEDQSA-N 2 0 184.283 0.323 20 0 ACADRP CC[C@H]1C[NH2+]CC[C@]1(O)CC[NH3+] 229829415 538202163 /nfs/dbraw/zinc/20/21/63/538202163.db2.gz DXLWETLKZBRCGK-DTWKUNHWSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H]1C[C@](O)(CC[NH3+])C[N@@H+]1C1CC1 229953066 538202540 /nfs/dbraw/zinc/20/25/40/538202540.db2.gz FHNWKWWRYSKYAY-WCBMZHEXSA-N 2 0 184.283 0.323 20 0 ACADRP CC[C@@H]1C[NH2+]CC[C@]1(O)CC[NH3+] 229829403 538202601 /nfs/dbraw/zinc/20/26/01/538202601.db2.gz DXLWETLKZBRCGK-RKDXNWHRSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@@H]1C[NH2+]CC[C@@]1(O)CC[NH3+] 229829387 538202811 /nfs/dbraw/zinc/20/28/11/538202811.db2.gz DXLWETLKZBRCGK-BDAKNGLRSA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H]1C[C@@](O)(CC[NH3+])C[N@@H+]1C1CC1 229953054 538202818 /nfs/dbraw/zinc/20/28/18/538202818.db2.gz FHNWKWWRYSKYAY-WPRPVWTQSA-N 2 0 184.283 0.323 20 0 ACADRP C[C@@H]1C[C@@](O)(CC[NH3+])C[N@@H+]1C1CC1 229953047 538203126 /nfs/dbraw/zinc/20/31/26/538203126.db2.gz FHNWKWWRYSKYAY-SCZZXKLOSA-N 2 0 184.283 0.323 20 0 ACADRP CCOCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 233746138 538234173 /nfs/dbraw/zinc/23/41/73/538234173.db2.gz OZLHEKUETNVRSZ-JTQLQIEISA-N 2 0 186.299 0.694 20 0 ACADRP CCOCC[N@@H+]1CC[C@](C)(C[NH3+])C1 233746525 538235657 /nfs/dbraw/zinc/23/56/57/538235657.db2.gz OZLHEKUETNVRSZ-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP COC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 238330650 538254392 /nfs/dbraw/zinc/25/43/92/538254392.db2.gz ITZCZPICCKWISU-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP COCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 250177066 538256002 /nfs/dbraw/zinc/25/60/02/538256002.db2.gz RVLRUTWVEFIXGP-MNOVXSKESA-N 2 0 198.310 0.849 20 0 ACADRP COCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 250177070 538256485 /nfs/dbraw/zinc/25/64/85/538256485.db2.gz RVLRUTWVEFIXGP-QWRGUYRKSA-N 2 0 198.310 0.849 20 0 ACADRP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 251014445 538258549 /nfs/dbraw/zinc/25/85/49/538258549.db2.gz VTGQBTQBKYNELX-MXWKQRLJSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 251014449 538258690 /nfs/dbraw/zinc/25/86/90/538258690.db2.gz VTGQBTQBKYNELX-VWYCJHECSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 251119246 538260064 /nfs/dbraw/zinc/26/00/64/538260064.db2.gz QPBONRRWOBDJIK-AXFHLTTASA-N 2 0 198.310 0.584 20 0 ACADRP C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 251119248 538260152 /nfs/dbraw/zinc/26/01/52/538260152.db2.gz QPBONRRWOBDJIK-DCAQKATOSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 251775975 538264056 /nfs/dbraw/zinc/26/40/56/538264056.db2.gz FHDXFTMLTYIDBI-UTLUCORTSA-N 2 0 186.299 0.440 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 251775973 538265372 /nfs/dbraw/zinc/26/53/72/538265372.db2.gz FHDXFTMLTYIDBI-KXUCPTDWSA-N 2 0 186.299 0.440 20 0 ACADRP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 252703329 538272567 /nfs/dbraw/zinc/27/25/67/538272567.db2.gz VTGQBTQBKYNELX-DCAQKATOSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 252703328 538273029 /nfs/dbraw/zinc/27/30/29/538273029.db2.gz VTGQBTQBKYNELX-AXFHLTTASA-N 2 0 198.310 0.584 20 0 ACADRP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 252731578 538278018 /nfs/dbraw/zinc/27/80/18/538278018.db2.gz QPBONRRWOBDJIK-VWYCJHECSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 252731577 538279424 /nfs/dbraw/zinc/27/94/24/538279424.db2.gz QPBONRRWOBDJIK-MXWKQRLJSA-N 2 0 198.310 0.584 20 0 ACADRP CC[C@@H]1C[NH2+]CC[C@@]1(O)[C@H](C)C[NH3+] 253278965 538284112 /nfs/dbraw/zinc/28/41/12/538284112.db2.gz JUHZCIABYFXKCX-OPRDCNLKSA-N 2 0 186.299 0.332 20 0 ACADRP CC[C@@H]1C[NH2+]CC[C@]1(O)[C@H](C)C[NH3+] 253278964 538284214 /nfs/dbraw/zinc/28/42/14/538284214.db2.gz JUHZCIABYFXKCX-BBBLOLIVSA-N 2 0 186.299 0.332 20 0 ACADRP CC[C@](C)(O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 253237828 538284345 /nfs/dbraw/zinc/28/43/45/538284345.db2.gz FRVIPQKVPUVSED-DCAQKATOSA-N 2 0 198.310 0.299 20 0 ACADRP C[NH+]1CCC2(CC1)OCC[C@H]2[NH3+] 258479403 538287564 /nfs/dbraw/zinc/28/75/64/538287564.db2.gz JCBHPBOLKIORGQ-MRVPVSSYSA-N 2 0 170.256 0.198 20 0 ACADRP C[NH+]1CCC2(CC1)OCC[C@@H]2[NH3+] 258479408 538288951 /nfs/dbraw/zinc/28/89/51/538288951.db2.gz JCBHPBOLKIORGQ-QMMMGPOBSA-N 2 0 170.256 0.198 20 0 ACADRP CC(C)[NH2+]C1CCN(CC[NH3+])CC1 259226226 538291056 /nfs/dbraw/zinc/29/10/56/538291056.db2.gz KRVYHKGHKSPPHM-UHFFFAOYSA-N 2 0 185.315 0.408 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CC[C@@H](C)[NH2+]C1 306869055 538311698 /nfs/dbraw/zinc/31/16/98/538311698.db2.gz SGGXSRGEGJFUAG-OPRDCNLKSA-N 2 0 186.299 0.474 20 0 ACADRP CC[N@@H+]1CC[C@@](O)(C2(C[NH3+])CC2)C1 306760074 538308492 /nfs/dbraw/zinc/30/84/92/538308492.db2.gz VZMFJLDKPSSFMT-JTQLQIEISA-N 2 0 184.283 0.182 20 0 ACADRP CC[N@@H+]1CC[C@](O)(C2(C[NH3+])CC2)C1 306760075 538308687 /nfs/dbraw/zinc/30/86/87/538308687.db2.gz VZMFJLDKPSSFMT-SNVBAGLBSA-N 2 0 184.283 0.182 20 0 ACADRP CC[N@@H+]1CC[C@](O)([C@H](C)C[NH3+])C1 306748655 538308705 /nfs/dbraw/zinc/30/87/05/538308705.db2.gz HCJUTFPPFSEFRK-RKDXNWHRSA-N 2 0 172.272 0.038 20 0 ACADRP CC[N@@H+]1CC[C@@](O)([C@@H](C)C[NH3+])C1 306748652 538309181 /nfs/dbraw/zinc/30/91/81/538309181.db2.gz HCJUTFPPFSEFRK-IUCAKERBSA-N 2 0 172.272 0.038 20 0 ACADRP CC[N@@H+]1CC[C@](O)([C@@H](C)C[NH3+])C1 306748650 538309313 /nfs/dbraw/zinc/30/93/13/538309313.db2.gz HCJUTFPPFSEFRK-DTWKUNHWSA-N 2 0 172.272 0.038 20 0 ACADRP C[NH+](C)[C@H]1CCCN(C[C@H]2CC[NH2+]2)C1 306739998 538309444 /nfs/dbraw/zinc/30/94/44/538309444.db2.gz SSIWTCKARSAAKQ-MNOVXSKESA-N 2 0 197.326 0.374 20 0 ACADRP CC[N@@H+]1CC[C@@](O)([C@H](C)C[NH3+])C1 306748647 538309612 /nfs/dbraw/zinc/30/96/12/538309612.db2.gz HCJUTFPPFSEFRK-BDAKNGLRSA-N 2 0 172.272 0.038 20 0 ACADRP C[NH+](C)[C@H]1CCCN(C[C@@H]2CC[NH2+]2)C1 306739999 538309886 /nfs/dbraw/zinc/30/98/86/538309886.db2.gz SSIWTCKARSAAKQ-QWRGUYRKSA-N 2 0 197.326 0.374 20 0 ACADRP C[NH+](C)[C@@H]1CCCN(C[C@H]2CC[NH2+]2)C1 306739997 538309942 /nfs/dbraw/zinc/30/99/42/538309942.db2.gz SSIWTCKARSAAKQ-GHMZBOCLSA-N 2 0 197.326 0.374 20 0 ACADRP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CC[NH2+]2)C1 306740000 538310235 /nfs/dbraw/zinc/31/02/35/538310235.db2.gz SSIWTCKARSAAKQ-WDEREUQCSA-N 2 0 197.326 0.374 20 0 ACADRP C[C@@](O)(CC[NH3+])C1CC[NH2+]CC1 306888902 538310861 /nfs/dbraw/zinc/31/08/61/538310861.db2.gz SIEJIXSAXLCVCZ-SECBINFHSA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CC[C@H](C)[NH2+]C1 306869052 538310919 /nfs/dbraw/zinc/31/09/19/538310919.db2.gz SGGXSRGEGJFUAG-AEJSXWLSSA-N 2 0 186.299 0.474 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CC[C@H](C)[NH2+]C1 306869054 538310967 /nfs/dbraw/zinc/31/09/67/538310967.db2.gz SGGXSRGEGJFUAG-IVZWLZJFSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@](O)(CC[NH3+])C1CC[NH2+]CC1 306888903 538310984 /nfs/dbraw/zinc/31/09/84/538310984.db2.gz SIEJIXSAXLCVCZ-VIFPVBQESA-N 2 0 172.272 0.086 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CC[C@@H](C)[NH2+]C1 306869053 538311040 /nfs/dbraw/zinc/31/10/40/538311040.db2.gz SGGXSRGEGJFUAG-BBBLOLIVSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@@](O)([C@H]1CCC[NH2+]1)C1(C[NH3+])CC1 306919305 538312144 /nfs/dbraw/zinc/31/21/44/538312144.db2.gz BBOQLUBPBQWPQL-RKDXNWHRSA-N 2 0 184.283 0.228 20 0 ACADRP C[C@](O)([C@@H]1CCC[NH2+]1)C1(C[NH3+])CC1 306919303 538312158 /nfs/dbraw/zinc/31/21/58/538312158.db2.gz BBOQLUBPBQWPQL-IUCAKERBSA-N 2 0 184.283 0.228 20 0 ACADRP [NH3+][C@@H]1CC[C@@H]2C[NH2+]CC[C@@H]21 307036682 538312528 /nfs/dbraw/zinc/31/25/28/538312528.db2.gz XQWKRSKHVSLUER-GJMOJQLCSA-N 2 0 140.230 0.333 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CCC[NH2+][C@H]1C 307455505 538315547 /nfs/dbraw/zinc/31/55/47/538315547.db2.gz CMKZHMYAICBSQS-IVZWLZJFSA-N 2 0 186.299 0.474 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CCC[NH2+][C@@H]1C 307455504 538315653 /nfs/dbraw/zinc/31/56/53/538315653.db2.gz CMKZHMYAICBSQS-BBBLOLIVSA-N 2 0 186.299 0.474 20 0 ACADRP C[NH2+]C1CCC2(CC1)C[C@@H]2[NH3+] 307357997 538316178 /nfs/dbraw/zinc/31/61/78/538316178.db2.gz XUQTYFZEDSNGHZ-MGURRDGZSA-N 2 0 154.257 0.866 20 0 ACADRP C[NH2+]C1CCC2(CC1)C[C@H]2[NH3+] 307357998 538316584 /nfs/dbraw/zinc/31/65/84/538316584.db2.gz XUQTYFZEDSNGHZ-QJAFJHJLSA-N 2 0 154.257 0.866 20 0 ACADRP CC[C@H](C[NH3+])[C@]1(O)CCC[NH2+][C@H]1C 307455503 538316627 /nfs/dbraw/zinc/31/66/27/538316627.db2.gz CMKZHMYAICBSQS-AEJSXWLSSA-N 2 0 186.299 0.474 20 0 ACADRP CC[C@H](C[NH3+])[C@@]1(O)CCC[NH2+][C@@H]1C 307455506 538316693 /nfs/dbraw/zinc/31/66/93/538316693.db2.gz CMKZHMYAICBSQS-OPRDCNLKSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@H](C[NH3+])[C@](C)(O)C1CC[NH2+]CC1 307540808 538316894 /nfs/dbraw/zinc/31/68/94/538316894.db2.gz NHRGGAJOVRFOEO-SCZZXKLOSA-N 2 0 186.299 0.332 20 0 ACADRP C[C@H](C[NH3+])[C@@](C)(O)[C@@H]1CCC[NH2+]1 307481637 538316911 /nfs/dbraw/zinc/31/69/11/538316911.db2.gz YGDATDIQNLFXEJ-HRDYMLBCSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@H](C[NH3+])[C@@](C)(O)C1CC[NH2+]CC1 307540806 538317058 /nfs/dbraw/zinc/31/70/58/538317058.db2.gz NHRGGAJOVRFOEO-PSASIEDQSA-N 2 0 186.299 0.332 20 0 ACADRP C[C@@H](C[NH3+])[C@](C)(O)C1CC[NH2+]CC1 307540813 538317154 /nfs/dbraw/zinc/31/71/54/538317154.db2.gz NHRGGAJOVRFOEO-WPRPVWTQSA-N 2 0 186.299 0.332 20 0 ACADRP C[C@H](C[NH3+])[C@](C)(O)[C@H]1CCC[NH2+]1 307481636 538317192 /nfs/dbraw/zinc/31/71/92/538317192.db2.gz YGDATDIQNLFXEJ-HLTSFMKQSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@H](C[NH3+])[C@@](C)(O)[C@H]1CCC[NH2+]1 307481638 538317253 /nfs/dbraw/zinc/31/72/53/538317253.db2.gz YGDATDIQNLFXEJ-IWSPIJDZSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@H](C[NH3+])[C@](C)(O)[C@@H]1CCC[NH2+]1 307481639 538317643 /nfs/dbraw/zinc/31/76/43/538317643.db2.gz YGDATDIQNLFXEJ-VGMNWLOBSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@@H](C[NH3+])[C@@](C)(O)C1CC[NH2+]CC1 307540810 538317445 /nfs/dbraw/zinc/31/74/45/538317445.db2.gz NHRGGAJOVRFOEO-WCBMZHEXSA-N 2 0 186.299 0.332 20 0 ACADRP CC[N@H+](C)C[C@@H]1CCN(CC[NH3+])C1 379366079 538367248 /nfs/dbraw/zinc/36/72/48/538367248.db2.gz QSOGTHRRZJEAAH-JTQLQIEISA-N 2 0 185.315 0.219 20 0 ACADRP CC[N@H+](C)C[C@H]1CCN(CC[NH3+])C1 379366080 538367500 /nfs/dbraw/zinc/36/75/00/538367500.db2.gz QSOGTHRRZJEAAH-SNVBAGLBSA-N 2 0 185.315 0.219 20 0 ACADRP Cc1c[nH]nc1CNCCC[NH+](C)C 379594909 538419756 /nfs/dbraw/zinc/41/97/56/538419756.db2.gz DDNMKYKWZIDVGU-UHFFFAOYSA-N 2 0 196.298 0.759 20 0 ACADRP C[C@H](CO)C[NH2+][C@H]1CN(C)C[C@@H]1C 388776282 538437297 /nfs/dbraw/zinc/43/72/97/538437297.db2.gz IFVDGSOTEVXWHX-GUBZILKMSA-N 2 0 186.299 0.155 20 0 ACADRP C[C@H](CO)C[NH2+][C@@H]1CN(C)C[C@H]1C 388776283 538437385 /nfs/dbraw/zinc/43/73/85/538437385.db2.gz IFVDGSOTEVXWHX-IVZWLZJFSA-N 2 0 186.299 0.155 20 0 ACADRP C[C@H](CO)C[NH2+][C@@H]1CN(C)C[C@@H]1C 388776284 538437440 /nfs/dbraw/zinc/43/74/40/538437440.db2.gz IFVDGSOTEVXWHX-LPEHRKFASA-N 2 0 186.299 0.155 20 0 ACADRP C[C@H](CO)C[NH2+][C@H]1CN(C)C[C@H]1C 388776277 538437488 /nfs/dbraw/zinc/43/74/88/538437488.db2.gz IFVDGSOTEVXWHX-AEJSXWLSSA-N 2 0 186.299 0.155 20 0 ACADRP C[C@@H]1CCN(CC[NH2+][C@@H]2CCOC2)C1 389243779 538439879 /nfs/dbraw/zinc/43/98/79/538439879.db2.gz ZQBVJAWIEVCIEA-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H]1CCN(CC[NH2+][C@H]2CCOC2)C1 389243781 538439735 /nfs/dbraw/zinc/43/97/35/538439735.db2.gz ZQBVJAWIEVCIEA-QWRGUYRKSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@@H]1CCN(CC[NH2+][C@H]2CCOC2)C1 389243780 538439766 /nfs/dbraw/zinc/43/97/66/538439766.db2.gz ZQBVJAWIEVCIEA-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H]1CCN(CC[NH2+][C@@H]2CCOC2)C1 389243782 538439850 /nfs/dbraw/zinc/43/98/50/538439850.db2.gz ZQBVJAWIEVCIEA-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]CCCN1CC[C@H]2[NH2+]CC[C@H]2C1 393609311 538441395 /nfs/dbraw/zinc/44/13/95/538441395.db2.gz SAKBTJYDIHFKKM-WDEREUQCSA-N 2 0 197.326 0.280 20 0 ACADRP CN(Cc1c(C[NH3+])cnn1C)C1CC1 675056872 538449534 /nfs/dbraw/zinc/44/95/34/538449534.db2.gz XYVXWJFTWDGJTE-UHFFFAOYSA-N 2 0 194.282 0.473 20 0 ACADRP C[NH+](C)CCN1CC2(CC[NH2+]CC2)C1 219622768 541317637 /nfs/dbraw/zinc/31/76/37/541317637.db2.gz VNBLMNCQDVRJMD-UHFFFAOYSA-N 2 0 197.326 0.233 20 0 ACADRP C[NH2+]C[C@H](C[NH3+])C(F)(F)F 219234328 541318237 /nfs/dbraw/zinc/31/82/37/541318237.db2.gz DFFRYUCELNONHE-BYPYZUCNSA-N 2 0 156.151 0.343 20 0 ACADRP C[C@](O)([C@H]1CCC[NH2+]1)C1(C[NH3+])CC1 306919299 541330076 /nfs/dbraw/zinc/33/00/76/541330076.db2.gz BBOQLUBPBQWPQL-BDAKNGLRSA-N 2 0 184.283 0.228 20 0 ACADRP C[C@@](O)([C@@H]1CCC[NH2+]1)C1(C[NH3+])CC1 306919301 541330082 /nfs/dbraw/zinc/33/00/82/541330082.db2.gz BBOQLUBPBQWPQL-DTWKUNHWSA-N 2 0 184.283 0.228 20 0 ACADRP CN(C[C@@H]1CC[NH2+]1)C1CC[NH+](C)CC1 307599954 541330809 /nfs/dbraw/zinc/33/08/09/541330809.db2.gz RTKWYAIYMQTWON-JTQLQIEISA-N 2 0 197.326 0.374 20 0 ACADRP CN(C[C@H]1CC[NH2+]1)C1CC[NH+](C)CC1 307599955 541330859 /nfs/dbraw/zinc/33/08/59/541330859.db2.gz RTKWYAIYMQTWON-SNVBAGLBSA-N 2 0 197.326 0.374 20 0 ACADRP CCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 83255600 756975247 /nfs/dbraw/zinc/97/52/47/756975247.db2.gz PWSIQRZFUHKTCP-LLVKDONJSA-N 2 0 197.326 0.376 20 0 ACADRP CCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 83255599 756976198 /nfs/dbraw/zinc/97/61/98/756976198.db2.gz PWSIQRZFUHKTCP-NSHDSACASA-N 2 0 197.326 0.376 20 0 ACADRP C[NH+]1CCC(C[NH+]2CCOCC2)CC1 201255833 757029661 /nfs/dbraw/zinc/02/96/61/757029661.db2.gz CSXIAQYYBYEIPG-UHFFFAOYSA-N 2 0 198.310 0.660 20 0 ACADRP CC[NH+]1CCC(O)(C[NH+](C)C)CC1 204794132 757031059 /nfs/dbraw/zinc/03/10/59/757031059.db2.gz XKOACHNEADJTND-UHFFFAOYSA-N 2 0 186.299 0.395 20 0 ACADRP C[C@H]([NH3+])Cc1nc([C@H]2CCC[NH2+]2)no1 257882761 757043667 /nfs/dbraw/zinc/04/36/67/757043667.db2.gz BOHXPVBZILOJCS-NKWVEPMBSA-N 2 0 196.254 0.384 20 0 ACADRP C[C@H]([NH3+])Cc1nc([C@@H]2CCC[NH2+]2)no1 257882757 757044944 /nfs/dbraw/zinc/04/49/44/757044944.db2.gz BOHXPVBZILOJCS-BQBZGAKWSA-N 2 0 196.254 0.384 20 0 ACADRP C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C 300857581 757055616 /nfs/dbraw/zinc/05/56/16/757055616.db2.gz ORVVVJUYHSOLQQ-RKDXNWHRSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C 300857574 757055993 /nfs/dbraw/zinc/05/59/93/757055993.db2.gz ORVVVJUYHSOLQQ-DTWKUNHWSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C 300857577 757056441 /nfs/dbraw/zinc/05/64/41/757056441.db2.gz ORVVVJUYHSOLQQ-IUCAKERBSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@@H](O)C[NH2+][C@H]1CC[NH2+]CC1(C)C 300857569 757056702 /nfs/dbraw/zinc/05/67/02/757056702.db2.gz ORVVVJUYHSOLQQ-BDAKNGLRSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C 307399438 757089893 /nfs/dbraw/zinc/08/98/93/757089893.db2.gz WQBRYDCPRZGOCB-DJLDLDEBSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])Cc1nc(C2([NH3+])CCC2)no1 307399546 757090348 /nfs/dbraw/zinc/09/03/48/757090348.db2.gz XCHBZICTKDIQCW-LURJTMIESA-N 2 0 196.254 0.297 20 0 ACADRP C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C 307399439 757091004 /nfs/dbraw/zinc/09/10/04/757091004.db2.gz WQBRYDCPRZGOCB-XHNCKOQMSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C 307399437 757091255 /nfs/dbraw/zinc/09/12/55/757091255.db2.gz WQBRYDCPRZGOCB-CIUDSAMLSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@H]1C 307399440 757091271 /nfs/dbraw/zinc/09/12/71/757091271.db2.gz WQBRYDCPRZGOCB-YIZRAAEISA-N 2 0 199.298 0.062 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CCOC1 400669842 757132139 /nfs/dbraw/zinc/13/21/39/757132139.db2.gz YWJPDJFCQJVIQC-ZJUUUORDSA-N 2 0 186.299 0.692 20 0 ACADRP C[N@H+](CCCC1CC1)C[C@H](O)C[NH3+] 400686191 757133661 /nfs/dbraw/zinc/13/36/61/757133661.db2.gz XGNDIRCHBOIBFU-SNVBAGLBSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)CC[C@@H]1CCOC1 400669836 757134982 /nfs/dbraw/zinc/13/49/82/757134982.db2.gz YWJPDJFCQJVIQC-NXEZZACHSA-N 2 0 186.299 0.692 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CCOC1 400669841 757135021 /nfs/dbraw/zinc/13/50/21/757135021.db2.gz YWJPDJFCQJVIQC-VHSXEESVSA-N 2 0 186.299 0.692 20 0 ACADRP C[N@H+](CCCC1CC1)C[C@@H](O)C[NH3+] 400686189 757138829 /nfs/dbraw/zinc/13/88/29/757138829.db2.gz XGNDIRCHBOIBFU-JTQLQIEISA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CCOC1 400669839 757139537 /nfs/dbraw/zinc/13/95/37/757139537.db2.gz YWJPDJFCQJVIQC-UWVGGRQHSA-N 2 0 186.299 0.692 20 0 ACADRP C[C@H]1CCC[N@H+](CCO)[C@H]1CC[NH3+] 404367195 757187367 /nfs/dbraw/zinc/18/73/67/757187367.db2.gz HTAMTWMEXGTTTK-UWVGGRQHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H]1CCC[N@H+](CCO)[C@@H]1CC[NH3+] 404367183 757191083 /nfs/dbraw/zinc/19/10/83/757191083.db2.gz HTAMTWMEXGTTTK-NXEZZACHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H]1CCC[N@H+](CCO)[C@@H]1CC[NH3+] 404367199 757194182 /nfs/dbraw/zinc/19/41/82/757194182.db2.gz HTAMTWMEXGTTTK-VHSXEESVSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H]1CCC[N@H+](CCO)[C@H]1CC[NH3+] 404367809 757195255 /nfs/dbraw/zinc/19/52/55/757195255.db2.gz HTAMTWMEXGTTTK-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)C12CCC2 405224672 757198431 /nfs/dbraw/zinc/19/84/31/757198431.db2.gz CKGZORUORXVXNK-IVZWLZJFSA-N 2 0 196.294 0.635 20 0 ACADRP CC[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405297801 757198712 /nfs/dbraw/zinc/19/87/12/757198712.db2.gz PUUZDGGMIULWMQ-CIUDSAMLSA-N 2 0 186.299 0.473 20 0 ACADRP C[C@H](O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405415549 757200466 /nfs/dbraw/zinc/20/04/66/757200466.db2.gz VYTFNKPMCVZBTG-FXQIFTODSA-N 2 0 172.272 0.083 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405415582 757202287 /nfs/dbraw/zinc/20/22/87/757202287.db2.gz VYTFNKPMCVZBTG-XLPZGREQSA-N 2 0 172.272 0.083 20 0 ACADRP CC[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405297802 757202557 /nfs/dbraw/zinc/20/25/57/757202557.db2.gz PUUZDGGMIULWMQ-DJLDLDEBSA-N 2 0 186.299 0.473 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405415525 757210373 /nfs/dbraw/zinc/21/03/73/757210373.db2.gz VYTFNKPMCVZBTG-BIIVOSGPSA-N 2 0 172.272 0.083 20 0 ACADRP CC[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405297804 757211119 /nfs/dbraw/zinc/21/11/19/757211119.db2.gz PUUZDGGMIULWMQ-YIZRAAEISA-N 2 0 186.299 0.473 20 0 ACADRP CC[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405297803 757211402 /nfs/dbraw/zinc/21/14/02/757211402.db2.gz PUUZDGGMIULWMQ-XHNCKOQMSA-N 2 0 186.299 0.473 20 0 ACADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCOC2)C12CCC2 405224670 757211626 /nfs/dbraw/zinc/21/16/26/757211626.db2.gz CKGZORUORXVXNK-AEJSXWLSSA-N 2 0 196.294 0.635 20 0 ACADRP C[C@H](O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405415574 757212356 /nfs/dbraw/zinc/21/23/56/757212356.db2.gz VYTFNKPMCVZBTG-RNJXMRFFSA-N 2 0 172.272 0.083 20 0 ACADRP C[NH2+]CCN(C)C[C@@H]1C[C@@H]1C 82648310 572069318 /nfs/dbraw/zinc/06/93/18/572069318.db2.gz XNVBZMSTABIJDM-IUCAKERBSA-N 2 0 156.273 0.794 20 0 ACADRP C[C@@H]1COC[C@H]1[NH2+][C@H](C)C1C[NH2+]C1 686249748 757302525 /nfs/dbraw/zinc/30/25/25/757302525.db2.gz MGILNAPOKDEAHS-NQMVMOMDSA-N 2 0 184.283 0.219 20 0 ACADRP C[C@H]([NH2+][C@H]1COC[C@H]1C)C1C[NH2+]C1 686249749 757306554 /nfs/dbraw/zinc/30/65/54/757306554.db2.gz MGILNAPOKDEAHS-WEDXCCLWSA-N 2 0 184.283 0.219 20 0 ACADRP C[NH2+]C[C@H]1CC[N@H+](CCOC2CC2)C1 711746671 572103972 /nfs/dbraw/zinc/10/39/72/572103972.db2.gz UROOFHAEJHEWAD-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@@H]1COC[C@@H]1[NH2+]CCC[NH+](C)C 688053910 757329248 /nfs/dbraw/zinc/32/92/48/757329248.db2.gz SECDQUBLFPNEGV-ZJUUUORDSA-N 2 0 186.299 0.563 20 0 ACADRP C[C@H]1COC[C@H]1[NH2+]CCC[NH+](C)C 688053909 757329652 /nfs/dbraw/zinc/32/96/52/757329652.db2.gz SECDQUBLFPNEGV-VHSXEESVSA-N 2 0 186.299 0.563 20 0 ACADRP C[C@H]1COC[C@@H]1[NH2+]CCC[NH+](C)C 688053907 757329961 /nfs/dbraw/zinc/32/99/61/757329961.db2.gz SECDQUBLFPNEGV-UWVGGRQHSA-N 2 0 186.299 0.563 20 0 ACADRP C[C@@H]1COC[C@H]1[NH2+]CCC[NH+](C)C 688053905 757332050 /nfs/dbraw/zinc/33/20/50/757332050.db2.gz SECDQUBLFPNEGV-NXEZZACHSA-N 2 0 186.299 0.563 20 0 ACADRP C[NH+]1CCC(C[NH+]2CC(C)(O)C2)CC1 691347773 757356384 /nfs/dbraw/zinc/35/63/84/757356384.db2.gz IHZKBFLMIZIRNX-UHFFFAOYSA-N 2 0 198.310 0.395 20 0 ACADRP CC[C@H](O)CN(C)CC(C)(C)[NH3+] 691952022 757366678 /nfs/dbraw/zinc/36/66/78/757366678.db2.gz KEMACQOOXOMTJZ-QMMMGPOBSA-N 2 0 174.288 0.426 20 0 ACADRP COC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC1 693567196 757392440 /nfs/dbraw/zinc/39/24/40/757392440.db2.gz HKIAUFWCCPTBKJ-FBIMIBRVSA-N 2 0 198.310 0.738 20 0 ACADRP CC(C)[NH+]1CCN(C[C@@H]2CC[NH2+]2)CC1 307311408 572701183 /nfs/dbraw/zinc/70/11/83/572701183.db2.gz FYIIRABNHWXKIF-NSHDSACASA-N 2 0 197.326 0.374 20 0 ACADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCOC1 693546676 757390172 /nfs/dbraw/zinc/39/01/72/757390172.db2.gz QIZZCQKQVMDJIX-XWLWVQCSSA-N 2 0 198.310 0.738 20 0 ACADRP COC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)C1CC1 693567198 757390474 /nfs/dbraw/zinc/39/04/74/757390474.db2.gz HKIAUFWCCPTBKJ-LSJOCFKGSA-N 2 0 198.310 0.738 20 0 ACADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCOC1 693546671 757391188 /nfs/dbraw/zinc/39/11/88/757391188.db2.gz QIZZCQKQVMDJIX-DBIOUOCHSA-N 2 0 198.310 0.738 20 0 ACADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCOC1 693546678 757392696 /nfs/dbraw/zinc/39/26/96/757392696.db2.gz QIZZCQKQVMDJIX-ZNSHCXBVSA-N 2 0 198.310 0.738 20 0 ACADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCOC1 693546673 757394354 /nfs/dbraw/zinc/39/43/54/757394354.db2.gz QIZZCQKQVMDJIX-UKKRHICBSA-N 2 0 198.310 0.738 20 0 ACADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCOC1 693612436 757396266 /nfs/dbraw/zinc/39/62/66/757396266.db2.gz QIZZCQKQVMDJIX-MMWGEVLESA-N 2 0 198.310 0.738 20 0 ACADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCOC1 693612431 757396374 /nfs/dbraw/zinc/39/63/74/757396374.db2.gz QIZZCQKQVMDJIX-GWOFURMSSA-N 2 0 198.310 0.738 20 0 ACADRP COC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 693614178 757396573 /nfs/dbraw/zinc/39/65/73/757396573.db2.gz HKIAUFWCCPTBKJ-DVVUODLYSA-N 2 0 198.310 0.738 20 0 ACADRP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)C1CC1 693614181 757396877 /nfs/dbraw/zinc/39/68/77/757396877.db2.gz HKIAUFWCCPTBKJ-GDPRMGEGSA-N 2 0 198.310 0.738 20 0 ACADRP CC1(C)[C@H]2[NH2+]CCC[C@H]2[C@H]1[NH2+]CCO 693749271 757397737 /nfs/dbraw/zinc/39/77/37/757397737.db2.gz CESIDCFMZDDBMA-KXUCPTDWSA-N 2 0 198.310 0.345 20 0 ACADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCOC1 693612444 757398949 /nfs/dbraw/zinc/39/89/49/757398949.db2.gz QIZZCQKQVMDJIX-NAKRPEOUSA-N 2 0 198.310 0.738 20 0 ACADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CCOC1 693612427 757399589 /nfs/dbraw/zinc/39/95/89/757399589.db2.gz QIZZCQKQVMDJIX-CHWFTXMASA-N 2 0 198.310 0.738 20 0 ACADRP [NH3+]CC(C[NH3+])NCCc1ccccc1 695288975 757412562 /nfs/dbraw/zinc/41/25/62/757412562.db2.gz DTHNNRIRYGAPLL-UHFFFAOYSA-N 2 0 193.294 0.105 20 0 ACADRP [NH3+]CC(C[NH3+])NCCc1cccs1 695282183 757413531 /nfs/dbraw/zinc/41/35/31/757413531.db2.gz JAPRNRRFBGNTLR-UHFFFAOYSA-N 2 0 199.323 0.166 20 0 ACADRP [NH3+]CC(C[NH3+])NCc1ccccc1 695274653 757414085 /nfs/dbraw/zinc/41/40/85/757414085.db2.gz AEOLOFNVWWQNHK-UHFFFAOYSA-N 2 0 179.267 0.062 20 0 ACADRP Cc1cccc(CNC(C[NH3+])C[NH3+])c1 695289206 757414900 /nfs/dbraw/zinc/41/49/00/757414900.db2.gz HNKGXUSHIWVHBM-UHFFFAOYSA-N 2 0 193.294 0.371 20 0 ACADRP C[C@@H](CC[NH2+][C@@H]1CCOC1)[NH+](C)C 697857132 757432975 /nfs/dbraw/zinc/43/29/75/757432975.db2.gz FSYGXMWMOMKOND-VHSXEESVSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@@H](CC[NH2+][C@H]1CCOC1)[NH+](C)C 697857131 757434128 /nfs/dbraw/zinc/43/41/28/757434128.db2.gz FSYGXMWMOMKOND-UWVGGRQHSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@H](CC[NH2+][C@H]1CCOC1)[NH+](C)C 697857133 757438395 /nfs/dbraw/zinc/43/83/95/757438395.db2.gz FSYGXMWMOMKOND-ZJUUUORDSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@H](CC[NH2+][C@@H]1CCOC1)[NH+](C)C 697857130 757439937 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192.690 0.646 20 0 ACADRP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 699468082 757469470 /nfs/dbraw/zinc/46/94/70/757469470.db2.gz VGUCWVDTJBQVMR-RCWTZXSCSA-N 2 0 198.310 0.881 20 0 ACADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 699468079 757472497 /nfs/dbraw/zinc/47/24/97/757472497.db2.gz VGUCWVDTJBQVMR-DBIOUOCHSA-N 2 0 198.310 0.881 20 0 ACADRP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 699468083 757473604 /nfs/dbraw/zinc/47/36/04/757473604.db2.gz VGUCWVDTJBQVMR-YTWAJWBKSA-N 2 0 198.310 0.881 20 0 ACADRP COC1CC(C[N@H+](C)C2CC([NH3+])C2)C1 703323202 757481842 /nfs/dbraw/zinc/48/18/42/757481842.db2.gz JHDGYZBWZPWSAS-UHFFFAOYSA-N 2 0 198.310 0.833 20 0 ACADRP [NH3+]CCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86403248 572933876 /nfs/dbraw/zinc/93/38/76/572933876.db2.gz SYOKZGSQGJLPDO-ZJUUUORDSA-N 3 0 185.315 0.585 20 0 ACADRP CC[C@@H](COC)[NH2+]C[C@H](C)C[NH2+]C 1118058560 757654141 /nfs/dbraw/zinc/65/41/41/757654141.db2.gz XXIISINOCVJYQS-ZJUUUORDSA-N 2 0 188.315 0.857 20 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198.310 0.979 20 0 ACADRP CN(CCOC1CC1)CC(C)(C)[NH3+] 711783894 674003914 /nfs/dbraw/zinc/00/39/14/674003914.db2.gz CBZXZPZZWBFADS-UHFFFAOYSA-N 2 0 186.299 0.835 20 0 ACADRP CC1([NH3+])CC[NH+](CCOC2CC2)CC1 711786586 674003952 /nfs/dbraw/zinc/00/39/52/674003952.db2.gz OZOYRSPBVYBRHY-UHFFFAOYSA-N 2 0 198.310 0.979 20 0 ACADRP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C 36950410 674021258 /nfs/dbraw/zinc/02/12/58/674021258.db2.gz KSZRVBVDUUUMRW-SNVBAGLBSA-N 2 0 188.315 0.686 20 0 ACADRP CC(C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C 36950409 674021483 /nfs/dbraw/zinc/02/14/83/674021483.db2.gz KSZRVBVDUUUMRW-JTQLQIEISA-N 2 0 188.315 0.686 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCc1ncccn1 854226895 674038263 /nfs/dbraw/zinc/03/82/63/674038263.db2.gz FRLBMXTYPPJJEJ-BDAKNGLRSA-N 2 0 194.282 0.692 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NCc1ncccn1 854226898 674038287 /nfs/dbraw/zinc/03/82/87/674038287.db2.gz FRLBMXTYPPJJEJ-IUCAKERBSA-N 2 0 194.282 0.692 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NCc1ncccn1 854226899 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/nfs/dbraw/zinc/11/48/14/1170114814.db2.gz SGOWQHOXLZVNFP-BQBZGAKWSA-N 2 0 196.254 0.556 20 0 ACADRP C[C@H](C[NH3+])c1nc([C@H]2CCC[NH2+]2)no1 1261480542 1170115655 /nfs/dbraw/zinc/11/56/55/1170115655.db2.gz SGOWQHOXLZVNFP-RNFRBKRXSA-N 2 0 196.254 0.556 20 0 ACADRP C[NH2+]C[C@H](C)C[NH2+]CC1CC[NH2+]CC1 1261483088 1170115835 /nfs/dbraw/zinc/11/58/35/1170115835.db2.gz IPGMIUXWYLWVJO-JTQLQIEISA-N 3 0 199.342 0.431 20 0 ACADRP [NH3+][C@H]1C[C@H](C[NH2+]C2CCOCC2)C1 1261903950 1170120296 /nfs/dbraw/zinc/12/02/96/1170120296.db2.gz PEHOIQSGNSGYOM-KYZUINATSA-N 2 0 184.283 0.492 20 0 ACADRP CC(C)([NH3+])CCNC(=O)C1([NH3+])CCC1 1262043406 1170123163 /nfs/dbraw/zinc/12/31/63/1170123163.db2.gz SVFWCQJMXLTIHM-UHFFFAOYSA-N 2 0 199.298 0.111 20 0 ACADRP C[NH2+]C[C@H](C)CN[C@@H]1CC[NH2+]C1(C)C 1262202172 1170128417 /nfs/dbraw/zinc/12/84/17/1170128417.db2.gz OWADAXFWGZIKSG-VHSXEESVSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@@H](C)CN[C@H]1CC[NH2+]C1(C)C 1262202173 1170128530 /nfs/dbraw/zinc/12/85/30/1170128530.db2.gz OWADAXFWGZIKSG-ZJUUUORDSA-N 2 0 199.342 0.572 20 0 ACADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCC[NH3+] 1262202159 1170128809 /nfs/dbraw/zinc/12/88/09/1170128809.db2.gz ONWXFLFOYWDBHD-VIFPVBQESA-N 3 0 185.315 0.455 20 0 ACADRP C[NH2+]C[C@@H](C)CN[C@@H]1CC[NH2+]C1(C)C 1262202170 1170129030 /nfs/dbraw/zinc/12/90/30/1170129030.db2.gz OWADAXFWGZIKSG-NXEZZACHSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@H](C)CN[C@H]1CC[NH2+]C1(C)C 1262202171 1170129438 /nfs/dbraw/zinc/12/94/38/1170129438.db2.gz OWADAXFWGZIKSG-UWVGGRQHSA-N 2 0 199.342 0.572 20 0 ACADRP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCC[NH3+] 1262202158 1170129499 /nfs/dbraw/zinc/12/94/99/1170129499.db2.gz ONWXFLFOYWDBHD-SECBINFHSA-N 3 0 185.315 0.455 20 0 ACADRP [NH3+]CC1CC([NH2+]C2CC[NH2+]CC2)C1 1262487736 1170130060 /nfs/dbraw/zinc/13/00/60/1170130060.db2.gz CXFLWAOMUDWVON-UHFFFAOYSA-N 3 0 183.299 0.065 20 0 ACADRP C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]1 1325742432 1170231414 /nfs/dbraw/zinc/23/14/14/1170231414.db2.gz FLEMDVSSZWYENS-AXFHLTTASA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+][C@@H](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 1325720220 1170231607 /nfs/dbraw/zinc/23/16/07/1170231607.db2.gz FHQDDFPYMXBKPC-AXFHLTTASA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCO[C@H]1C 1325718144 1170232161 /nfs/dbraw/zinc/23/21/61/1170232161.db2.gz QKZREKJLNHSRAD-GUBZILKMSA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@@H](C)CN[C@H](C)[C@@H]1CCC[NH2+]1 1325742434 1170232359 /nfs/dbraw/zinc/23/23/59/1170232359.db2.gz FLEMDVSSZWYENS-MXWKQRLJSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+][C@H](C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 1325720227 1170232680 /nfs/dbraw/zinc/23/26/80/1170232680.db2.gz FHQDDFPYMXBKPC-MXWKQRLJSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCO[C@H]1C 1325718146 1170232845 /nfs/dbraw/zinc/23/28/45/1170232845.db2.gz QKZREKJLNHSRAD-LPEHRKFASA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1CCC[NH2+]1 1325742433 1170232855 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1170235428 /nfs/dbraw/zinc/23/54/28/1170235428.db2.gz FHQDDFPYMXBKPC-GARJFASQSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+][C@H](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 1326035110 1170236565 /nfs/dbraw/zinc/23/65/65/1170236565.db2.gz FHQDDFPYMXBKPC-GMTAPVOTSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+][C@@H](C)CCN[C@H](C)[C@H]1CCC[NH2+]1 1326035111 1170236622 /nfs/dbraw/zinc/23/66/22/1170236622.db2.gz FHQDDFPYMXBKPC-HBNTYKKESA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+][C@H](C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 1326035113 1170236911 /nfs/dbraw/zinc/23/69/11/1170236911.db2.gz FHQDDFPYMXBKPC-OUAUKWLOSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+][C@H](C)Cc1noc([C@@H](C)C[NH3+])n1 1326171577 1170237543 /nfs/dbraw/zinc/23/75/43/1170237543.db2.gz DKILGWSAZFOVEL-NKWVEPMBSA-N 2 0 198.270 0.282 20 0 ACADRP C[NH2+]C[C@H](C)CN[C@@H]1CCC[NH2+]C1 1326236690 1170238605 /nfs/dbraw/zinc/23/86/05/1170238605.db2.gz MJDRQLJLCZJLLP-VHSXEESVSA-N 2 0 185.315 0.184 20 0 ACADRP C[NH2+]C[C@@H](C)CN[C@@H]1CCC[NH2+]C1 1326236671 1170238861 /nfs/dbraw/zinc/23/88/61/1170238861.db2.gz MJDRQLJLCZJLLP-NXEZZACHSA-N 2 0 185.315 0.184 20 0 ACADRP C[NH2+][C@@H](C)Cc1noc([C@@H](C)C[NH3+])n1 1326171565 1170239485 /nfs/dbraw/zinc/23/94/85/1170239485.db2.gz DKILGWSAZFOVEL-BQBZGAKWSA-N 2 0 198.270 0.282 20 0 ACADRP C[NH2+]C[C@H](C)CN[C@H]1CCC[NH2+]C1 1326236689 1170239652 /nfs/dbraw/zinc/23/96/52/1170239652.db2.gz MJDRQLJLCZJLLP-UWVGGRQHSA-N 2 0 185.315 0.184 20 0 ACADRP C[NH2+][C@@H](C)Cc1noc([C@H](C)C[NH3+])n1 1326171587 1170239848 /nfs/dbraw/zinc/23/98/48/1170239848.db2.gz DKILGWSAZFOVEL-RQJHMYQMSA-N 2 0 198.270 0.282 20 0 ACADRP C[NH2+]C[C@@H](C)CN[C@H]1CCC[NH2+]C1 1326236691 1170240012 /nfs/dbraw/zinc/24/00/12/1170240012.db2.gz MJDRQLJLCZJLLP-ZJUUUORDSA-N 2 0 185.315 0.184 20 0 ACADRP C[NH2+][C@H](C)Cc1noc([C@H](C)C[NH3+])n1 1326171580 1170240168 /nfs/dbraw/zinc/24/01/68/1170240168.db2.gz DKILGWSAZFOVEL-RNFRBKRXSA-N 2 0 198.270 0.282 20 0 ACADRP C[C@@H]([NH3+])c1cn(C2CC[NH2+]CC2)nn1 1327264590 1170246964 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C[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])C[C@H]1C 1331054271 1170285062 /nfs/dbraw/zinc/28/50/62/1170285062.db2.gz WQBRYDCPRZGOCB-HLTSFMKQSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C[C@@H](C)[NH3+] 1331054272 1170285193 /nfs/dbraw/zinc/28/51/93/1170285193.db2.gz WQBRYDCPRZGOCB-HRDYMLBCSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C 1331054273 1170286304 /nfs/dbraw/zinc/28/63/04/1170286304.db2.gz WQBRYDCPRZGOCB-IWSPIJDZSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C[C@@H](C)[NH3+] 1331054274 1170287155 /nfs/dbraw/zinc/28/71/55/1170287155.db2.gz WQBRYDCPRZGOCB-VGMNWLOBSA-N 2 0 199.298 0.062 20 0 ACADRP C[NH2+][C@H](C)CC[NH2+][C@H](C)[C@@H](C)OC 1331831782 1170294688 /nfs/dbraw/zinc/29/46/88/1170294688.db2.gz ADXCULPFBJJQBW-OPRDCNLKSA-N 2 0 188.315 0.997 20 0 ACADRP C[NH2+][C@H](C)CC[NH2+][C@@H](C)[C@@H](C)OC 1331831780 1170294805 /nfs/dbraw/zinc/29/48/05/1170294805.db2.gz ADXCULPFBJJQBW-KXUCPTDWSA-N 2 0 188.315 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C[NH2+]C[C@H](C)NC[C@@H]([NH3+])CC(F)F 1331981764 1170299863 /nfs/dbraw/zinc/29/98/63/1170299863.db2.gz TUDJYTAZVKHNLJ-BQBZGAKWSA-N 2 0 195.257 0.166 20 0 ACADRP C[NH2+]C[C@@H](C)NC[C@@H]([NH3+])CC(F)F 1331981779 1170300061 /nfs/dbraw/zinc/30/00/61/1170300061.db2.gz TUDJYTAZVKHNLJ-RQJHMYQMSA-N 2 0 195.257 0.166 20 0 ACADRP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 1332366274 1170303311 /nfs/dbraw/zinc/30/33/11/1170303311.db2.gz XHXZJBDYVIIQGO-DTWKUNHWSA-N 3 0 171.288 0.004 20 0 ACADRP C[C@H]([NH3+])C[N@@H+]1CC[C@H](CC[NH3+])C1 1332366275 1170304611 /nfs/dbraw/zinc/30/46/11/1170304611.db2.gz XHXZJBDYVIIQGO-IUCAKERBSA-N 3 0 171.288 0.004 20 0 ACADRP Nc1ccc(C[NH2+]CCCC[NH3+])cn1 1332360888 1170304696 /nfs/dbraw/zinc/30/46/96/1170304696.db2.gz WGXDSSOKXPMNHW-UHFFFAOYSA-N 2 0 194.282 0.492 20 0 ACADRP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CC[NH3+])C1 1332366276 1170304840 /nfs/dbraw/zinc/30/48/40/1170304840.db2.gz XHXZJBDYVIIQGO-RKDXNWHRSA-N 3 0 171.288 0.004 20 0 ACADRP 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[NH3+]CCCCCC(=O)N[C@H]1C[C@H]([NH3+])C1 1342067491 1170443098 /nfs/dbraw/zinc/44/30/98/1170443098.db2.gz WSHHURMJMXKQDC-KYZUINATSA-N 2 0 199.298 0.111 20 0 ACADRP [NH3+]CC1CCC([NH2+]C2CC([NH3+])C2)CC1 1345232600 1170469325 /nfs/dbraw/zinc/46/93/25/1170469325.db2.gz BVBVRTLTUFPTMW-UHFFFAOYSA-N 3 0 197.326 0.583 20 0 ACADRP NC1(C[NH2+]C2CCC([NH3+])CC2)CC1 1345098287 1170470074 /nfs/dbraw/zinc/47/00/74/1170470074.db2.gz RIRIHVPNDSNDLH-UHFFFAOYSA-N 2 0 183.299 0.337 20 0 ACADRP [NH3+]CCCCCC(=O)NCC1([NH3+])CC1 1345294064 1170470631 /nfs/dbraw/zinc/47/06/31/1170470631.db2.gz HHTZLHFDEKULRG-UHFFFAOYSA-N 2 0 199.298 0.113 20 0 ACADRP [NH3+][C@@H]1C[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 1345931743 1170474896 /nfs/dbraw/zinc/47/48/96/1170474896.db2.gz QYLHCYHDWKDFFY-XVMARJQXSA-N 2 0 194.238 0.309 20 0 ACADRP [NH3+][C@@H]1C[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 1345931742 1170475359 /nfs/dbraw/zinc/47/53/59/1170475359.db2.gz QYLHCYHDWKDFFY-RRKCRQDMSA-N 2 0 194.238 0.309 20 0 ACADRP 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ACADRP CO[C@@H](C)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1578900215 1170728649 /nfs/dbraw/zinc/72/86/49/1170728649.db2.gz DYHUWXOAKRQYJD-AXFHLTTASA-N 2 0 198.310 0.563 20 0 ACADRP CO[C@@H](C)C[NH2+]C1CC2(CC([NH3+])C2)C1 1578903158 1170728747 /nfs/dbraw/zinc/72/87/47/1170728747.db2.gz SVRJLVDLDQCHTC-FBAUCUACSA-N 2 0 198.310 0.881 20 0 ACADRP CO[C@@H](C)C[NH+]1CC2(CC[NH2+]CC2)C1 1578900163 1170728800 /nfs/dbraw/zinc/72/88/00/1170728800.db2.gz CSJWCSDBBIBLTQ-JTQLQIEISA-N 2 0 198.310 0.707 20 0 ACADRP CO[C@H](C)[C@@H](C)[NH2+]C1CC2(C1)C[C@H]2[NH3+] 1578903523 1170728912 /nfs/dbraw/zinc/72/89/12/1170728912.db2.gz GWMNKXGZOLDKAG-RBYJBEHXSA-N 2 0 198.310 0.879 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 1578900625 1170728936 /nfs/dbraw/zinc/72/89/36/1170728936.db2.gz HWTYUYAHYFDIKK-VHSXEESVSA-N 2 0 198.310 0.753 20 0 ACADRP CO[C@H](C)C[NH2+]C1(C)CC[NH2+]CC1 1578901425 1170728981 /nfs/dbraw/zinc/72/89/81/1170728981.db2.gz KNNWOBGLNODPNV-SECBINFHSA-N 2 0 186.299 0.753 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[N@H+](C)C1 1578638532 1170728996 /nfs/dbraw/zinc/72/89/96/1170728996.db2.gz PCPPDGMFFLCJOL-VHSXEESVSA-N 2 0 185.315 0.278 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@H](O)[C@@H]1C 1578687114 1170729019 /nfs/dbraw/zinc/72/90/19/1170729019.db2.gz MMESESRWRBGRSQ-IUCAKERBSA-N 2 0 172.272 0.051 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@H]1CCC[N@H+](C)C1 1578638533 1170729030 /nfs/dbraw/zinc/72/90/30/1170729030.db2.gz PCPPDGMFFLCJOL-ZJUUUORDSA-N 2 0 185.315 0.278 20 0 ACADRP C[NH2+]CCOCC[NH2+]CCC(C)C 1578709783 1170729075 /nfs/dbraw/zinc/72/90/75/1170729075.db2.gz MVRMUHYCYADTRF-UHFFFAOYSA-N 2 0 188.315 0.858 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 1578687142 1170729136 /nfs/dbraw/zinc/72/91/36/1170729136.db2.gz NOAHKDUXLVBYPB-HBNTYKKESA-N 2 0 198.310 0.441 20 0 ACADRP COC(=O)C1CC([NH2+][C@H]2C[C@H]([NH3+])C2)C1 1578782723 1170729451 /nfs/dbraw/zinc/72/94/51/1170729451.db2.gz GBKKEQWBKILLHO-HRVXPSCVSA-N 2 0 198.266 0.017 20 0 ACADRP 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ACADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1 1578897245 1170729810 /nfs/dbraw/zinc/72/98/10/1170729810.db2.gz UOEUDBUOMTYELU-UYXSQOIJSA-N 2 0 172.272 0.489 20 0 ACADRP CO[C@H](C)C[NH2+]C1CC2(CC([NH3+])C2)C1 1578903163 1170729890 /nfs/dbraw/zinc/72/98/90/1170729890.db2.gz SVRJLVDLDQCHTC-XUHYKBHQSA-N 2 0 198.310 0.881 20 0 ACADRP COC[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1C 1578960267 1170730233 /nfs/dbraw/zinc/73/02/33/1170730233.db2.gz BYAWCSZWGQDELE-UTLUCORTSA-N 2 0 186.299 0.466 20 0 ACADRP COCC(C)(C)C[NH2+][C@H]1C[C@@H]([NH3+])C1 1578955332 1170730417 /nfs/dbraw/zinc/73/04/17/1170730417.db2.gz NDYYIUBBXKNTPH-DTORHVGOSA-N 2 0 186.299 0.738 20 0 ACADRP CO[C@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 1578936712 1170730464 /nfs/dbraw/zinc/73/04/64/1170730464.db2.gz BMRLQHRHLRDLHA-VPOLOUISSA-N 2 0 198.310 0.833 20 0 ACADRP COC[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578956795 1170730650 /nfs/dbraw/zinc/73/06/50/1170730650.db2.gz JEMNTXFBWNVRLE-ZNSHCXBVSA-N 2 0 198.310 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128.219 0.333 20 0 ACADRP CC(C)C[NH2+]C[C@@H](C)[NH3+] 40408567 571952992 /nfs/dbraw/zinc/95/29/92/571952992.db2.gz IULLPVRLBFJTKD-SSDOTTSWSA-N 2 0 130.235 0.579 20 0 ACADRP CC(C)C[NH2+]C[C@H](C)[NH3+] 40408571 571954012 /nfs/dbraw/zinc/95/40/12/571954012.db2.gz IULLPVRLBFJTKD-ZETCQYMHSA-N 2 0 130.235 0.579 20 0 ACADRP CC[C@H](C)[NH2+]C[C@H](C)[NH3+] 40407923 571954368 /nfs/dbraw/zinc/95/43/68/571954368.db2.gz PFSDAHRTEXBUPK-BQBZGAKWSA-N 2 0 130.235 0.722 20 0 ACADRP C[C@H]([NH3+])C[NH2+]C[C@@H]1CCCO1 40410286 571954402 /nfs/dbraw/zinc/95/44/02/571954402.db2.gz JRMDGKQJXBGKGL-YUMQZZPRSA-N 2 0 158.245 0.102 20 0 ACADRP C1C[NH2+]C[C@H]2CC[NH2+][C@H]2C1 24513609 571957348 /nfs/dbraw/zinc/95/73/48/571957348.db2.gz LPAKUXRRKUCBNS-SFYZADRCSA-N 2 0 140.230 0.348 20 0 ACADRP C1C[NH2+]C[C@@H]2CC[NH2+][C@H]2C1 24513605 571958116 /nfs/dbraw/zinc/95/81/16/571958116.db2.gz LPAKUXRRKUCBNS-YUMQZZPRSA-N 2 0 140.230 0.348 20 0 ACADRP C1C[NH2+]C[C@H]2CC[NH2+][C@@H]2C1 24513602 571958319 /nfs/dbraw/zinc/95/83/19/571958319.db2.gz LPAKUXRRKUCBNS-HTQZYQBOSA-N 2 0 140.230 0.348 20 0 ACADRP C1C[NH2+]C[C@@H]2CC[NH2+][C@@H]2C1 24513599 571958539 /nfs/dbraw/zinc/95/85/39/571958539.db2.gz LPAKUXRRKUCBNS-JGVFFNPUSA-N 2 0 140.230 0.348 20 0 ACADRP FC[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 711420154 571963506 /nfs/dbraw/zinc/96/35/06/571963506.db2.gz WPFHPNPXGMRNAH-ZJUUUORDSA-N 2 0 186.274 0.887 20 0 ACADRP C[NH+]1CCN(CC[NH+]2CCCC2)CC1 41209169 571982523 /nfs/dbraw/zinc/98/25/23/571982523.db2.gz JEUNLGZQCSXOPY-UHFFFAOYSA-N 2 0 197.326 0.330 20 0 ACADRP CCOCC[N@@H+]1CCC[C@H](C[NH3+])C1 35359013 572022105 /nfs/dbraw/zinc/02/21/05/572022105.db2.gz MAZZSFSQWNZTCP-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP CC[NH2+]CC1CC[NH+](CCO)CC1 82462780 572023223 /nfs/dbraw/zinc/02/32/23/572023223.db2.gz GFEYTGQBXOWOAV-UHFFFAOYSA-N 2 0 186.299 0.300 20 0 ACADRP C[NH2+]CCN(C)C[C@H]1CCCOC1 82545968 572046537 /nfs/dbraw/zinc/04/65/37/572046537.db2.gz HNNDDLMDURMBTQ-SNVBAGLBSA-N 2 0 186.299 0.564 20 0 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C[NH2+]CCN(C)C[C@H]1C[C@@H]1C 82648308 572069200 /nfs/dbraw/zinc/06/92/00/572069200.db2.gz XNVBZMSTABIJDM-DTWKUNHWSA-N 2 0 156.273 0.794 20 0 ACADRP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)C 37078591 572080390 /nfs/dbraw/zinc/08/03/90/572080390.db2.gz IFIVXQYHBXVSMP-VIFPVBQESA-N 2 0 174.288 0.297 20 0 ACADRP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)C 37078590 572082659 /nfs/dbraw/zinc/08/26/59/572082659.db2.gz IFIVXQYHBXVSMP-SECBINFHSA-N 2 0 174.288 0.297 20 0 ACADRP C[NH2+]C[C@@H]1CCCN1CCOC1CC1 711747138 572103954 /nfs/dbraw/zinc/10/39/54/572103954.db2.gz YXOOCOZMLZTIRH-JTQLQIEISA-N 2 0 198.310 0.849 20 0 ACADRP C[NH2+]C[C@H]1CCCN1CCOC1CC1 711747140 572103852 /nfs/dbraw/zinc/10/38/52/572103852.db2.gz YXOOCOZMLZTIRH-SNVBAGLBSA-N 2 0 198.310 0.849 20 0 ACADRP CC[N@H+](CCCO)C1CC[NH2+]CC1 37469519 572131956 /nfs/dbraw/zinc/13/19/56/572131956.db2.gz LDHFWASBPGPRTL-UHFFFAOYSA-N 2 0 186.299 0.443 20 0 ACADRP C[NH+](C)CCn1cc(C(C)(C)[NH3+])nn1 69680453 572134213 /nfs/dbraw/zinc/13/42/13/572134213.db2.gz VSZMXYAOHZNXQT-UHFFFAOYSA-N 2 0 197.286 0.034 20 0 ACADRP C[C@@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 69724141 572134624 /nfs/dbraw/zinc/13/46/24/572134624.db2.gz NMVYOVNGDBDISN-NXEZZACHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H](O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 69724138 572135295 /nfs/dbraw/zinc/13/52/95/572135295.db2.gz NMVYOVNGDBDISN-VHSXEESVSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H](O)C[NH+]1CCC(CC[NH3+])CC1 69729928 572137568 /nfs/dbraw/zinc/13/75/68/572137568.db2.gz DZLBGBBPXRYQOZ-VIFPVBQESA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H](O)C[NH+]1CCC(CC[NH3+])CC1 69729929 572137540 /nfs/dbraw/zinc/13/75/40/572137540.db2.gz DZLBGBBPXRYQOZ-SECBINFHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] 69720950 572145773 /nfs/dbraw/zinc/14/57/73/572145773.db2.gz NIIGAZDYYGTKOF-VHSXEESVSA-N 2 0 186.299 0.571 20 0 ACADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] 69720953 572146019 /nfs/dbraw/zinc/14/60/19/572146019.db2.gz NIIGAZDYYGTKOF-NXEZZACHSA-N 2 0 186.299 0.571 20 0 ACADRP C[NH2+]CCN(C)[C@H]1CCCC[C@@H]1O 69802546 572147016 /nfs/dbraw/zinc/14/70/16/572147016.db2.gz XARIGYCGLZGMKF-UWVGGRQHSA-N 2 0 186.299 0.441 20 0 ACADRP C[N@H+](CC1CCC1)C[C@](C)(O)C[NH3+] 82906390 572149865 /nfs/dbraw/zinc/14/98/65/572149865.db2.gz PIAPNEQICPUZAO-SNVBAGLBSA-N 2 0 186.299 0.428 20 0 ACADRP C[N@H+](CC1CCC1)C[C@@](C)(O)C[NH3+] 82906391 572150289 /nfs/dbraw/zinc/15/02/89/572150289.db2.gz PIAPNEQICPUZAO-JTQLQIEISA-N 2 0 186.299 0.428 20 0 ACADRP CC[N@H+](CCN1CC[NH2+]CC1)C(C)C 37482563 572157162 /nfs/dbraw/zinc/15/71/62/572157162.db2.gz RJQQLDHMKTUELV-UHFFFAOYSA-N 2 0 199.342 0.622 20 0 ACADRP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1O 37489965 572161481 /nfs/dbraw/zinc/16/14/81/572161481.db2.gz UWJFPRDDBXNHOO-NXEZZACHSA-N 2 0 186.299 0.441 20 0 ACADRP CCC[N@H+](CCO)C1CC[NH2+]CC1 37653864 572170639 /nfs/dbraw/zinc/17/06/39/572170639.db2.gz PTEJMADXLRAWFD-UHFFFAOYSA-N 2 0 186.299 0.443 20 0 ACADRP CC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 37689206 572174519 /nfs/dbraw/zinc/17/45/19/572174519.db2.gz SDFVMLCMJWQNHR-JTQLQIEISA-N 2 0 186.299 0.441 20 0 ACADRP CC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 37688865 572174833 /nfs/dbraw/zinc/17/48/33/572174833.db2.gz KZJCRKLHDWTPJT-NXEZZACHSA-N 2 0 186.299 0.299 20 0 ACADRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 37687925 572175296 /nfs/dbraw/zinc/17/52/96/572175296.db2.gz HNEGQDPUVZRTDU-NXEZZACHSA-N 2 0 186.299 0.299 20 0 ACADRP CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C)C1 37688864 572175584 /nfs/dbraw/zinc/17/55/84/572175584.db2.gz KZJCRKLHDWTPJT-ZJUUUORDSA-N 2 0 186.299 0.299 20 0 ACADRP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37688862 572175917 /nfs/dbraw/zinc/17/59/17/572175917.db2.gz KZJCRKLHDWTPJT-UWVGGRQHSA-N 2 0 186.299 0.299 20 0 ACADRP CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C)C1 37688863 572176337 /nfs/dbraw/zinc/17/63/37/572176337.db2.gz KZJCRKLHDWTPJT-VHSXEESVSA-N 2 0 186.299 0.299 20 0 ACADRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 37687926 572176398 /nfs/dbraw/zinc/17/63/98/572176398.db2.gz HNEGQDPUVZRTDU-ZJUUUORDSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@H](O)C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 35601443 572177973 /nfs/dbraw/zinc/17/79/73/572177973.db2.gz LRCPEKZMONCWRC-OFLUOSHYSA-N 2 0 198.310 0.582 20 0 ACADRP C[C@@H](CO)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 35602199 572178543 /nfs/dbraw/zinc/17/85/43/572178543.db2.gz JSKIAXXZHMNDDZ-OFLUOSHYSA-N 2 0 198.310 0.582 20 0 ACADRP C[C@H](CO)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 35602200 572179338 /nfs/dbraw/zinc/17/93/38/572179338.db2.gz JSKIAXXZHMNDDZ-UBJLHIIHSA-N 2 0 198.310 0.582 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)CCCCCCO 235170935 572182270 /nfs/dbraw/zinc/18/22/70/572182270.db2.gz KTKWICZBTKZIBM-SNVBAGLBSA-N 2 0 188.315 0.818 20 0 ACADRP Cn1nccc1C[NH2+]CCCC[NH3+] 37715369 572182462 /nfs/dbraw/zinc/18/24/62/572182462.db2.gz PUADOUAJMIELCJ-UHFFFAOYSA-N 2 0 182.271 0.249 20 0 ACADRP COCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 37753906 572186470 /nfs/dbraw/zinc/18/64/70/572186470.db2.gz RQJZFUAIBRVVRB-JTQLQIEISA-N 2 0 186.299 0.694 20 0 ACADRP COCCC[N@@H+]1CCC[C@H](C[NH3+])C1 37753905 572188027 /nfs/dbraw/zinc/18/80/27/572188027.db2.gz RQJZFUAIBRVVRB-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP C[C@H]([NH3+])CN1CCC([NH+](C)C)CC1 36191991 572196479 /nfs/dbraw/zinc/19/64/79/572196479.db2.gz UYOMHFMHINVYKL-VIFPVBQESA-N 2 0 185.315 0.360 20 0 ACADRP C[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C 37687746 572207172 /nfs/dbraw/zinc/20/71/72/572207172.db2.gz YVEXWYUIHIFXBL-SECBINFHSA-N 2 0 188.315 0.545 20 0 ACADRP C[C@H](O)C[NH2+]CC(C)(C)C[NH+](C)C 37687745 572207852 /nfs/dbraw/zinc/20/78/52/572207852.db2.gz YVEXWYUIHIFXBL-VIFPVBQESA-N 2 0 188.315 0.545 20 0 ACADRP CC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 44531501 572243315 /nfs/dbraw/zinc/24/33/15/572243315.db2.gz BZEPGCMMFUDYSV-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP [NH3+]CCCCNC(=O)CC1([NH3+])CCC1 86853438 572328078 /nfs/dbraw/zinc/32/80/78/572328078.db2.gz BGDDCCORBMHSST-UHFFFAOYSA-N 2 0 199.298 0.113 20 0 ACADRP [NH3+]CCC[NH2+]CC1(O)CCCC1 83587106 572330076 /nfs/dbraw/zinc/33/00/76/572330076.db2.gz HZTYOTUDGUSDSO-UHFFFAOYSA-N 2 0 172.272 0.230 20 0 ACADRP CNC(=[NH2+])NCC[NH+]1CCC(C)CC1 52020182 572331247 /nfs/dbraw/zinc/33/12/47/572331247.db2.gz GTCAENZBZQEYCA-UHFFFAOYSA-N 2 0 198.314 0.462 20 0 ACADRP CNC(=[NH2+])NCC[NH+]1CCCCC1 52035701 572332500 /nfs/dbraw/zinc/33/25/00/572332500.db2.gz AKFVSQNMYDNIKP-UHFFFAOYSA-N 2 0 184.287 0.216 20 0 ACADRP C[NH2+]CCN(C)CC1(O)CCCC1 83587598 572357579 /nfs/dbraw/zinc/35/75/79/572357579.db2.gz HNPVWUBOGQSLIH-UHFFFAOYSA-N 2 0 186.299 0.443 20 0 ACADRP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 87128180 572371591 /nfs/dbraw/zinc/37/15/91/572371591.db2.gz XQDFUXVQEJSPSU-GUBZILKMSA-N 2 0 186.299 0.297 20 0 ACADRP C[C@H](O)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)C1 87128182 572371857 /nfs/dbraw/zinc/37/18/57/572371857.db2.gz XQDFUXVQEJSPSU-UTLUCORTSA-N 2 0 186.299 0.297 20 0 ACADRP C[C@@H](O)[C@@H](C)[NH2+]CCCC[NH+](C)C 87129353 572373410 /nfs/dbraw/zinc/37/34/10/572373410.db2.gz PYURZFSSIRWBQS-NXEZZACHSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H](C)O 87129351 572373847 /nfs/dbraw/zinc/37/38/47/572373847.db2.gz PYURZFSSIRWBQS-VHSXEESVSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@H](O)[C@@H](C)[NH2+]CCCC[NH+](C)C 87129356 572374527 /nfs/dbraw/zinc/37/45/27/572374527.db2.gz PYURZFSSIRWBQS-ZJUUUORDSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@H](O)[C@H](C)[NH2+]CCCC[NH+](C)C 87129354 572375096 /nfs/dbraw/zinc/37/50/96/572375096.db2.gz PYURZFSSIRWBQS-UWVGGRQHSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@@H](O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] 87141113 572377636 /nfs/dbraw/zinc/37/76/36/572377636.db2.gz CMUUQDPMCATOBO-RKDXNWHRSA-N 2 0 188.315 0.672 20 0 ACADRP C[C@H](O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] 87141120 572378145 /nfs/dbraw/zinc/37/81/45/572378145.db2.gz CMUUQDPMCATOBO-BDAKNGLRSA-N 2 0 188.315 0.672 20 0 ACADRP C[C@H](O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] 87141117 572379001 /nfs/dbraw/zinc/37/90/01/572379001.db2.gz CMUUQDPMCATOBO-IUCAKERBSA-N 2 0 188.315 0.672 20 0 ACADRP C[C@](O)([C@H]1CC[NH2+]C1)C1(C[NH3+])CC1 306552790 572404330 /nfs/dbraw/zinc/40/43/30/572404330.db2.gz DKAHUKJMMWKHDO-IUCAKERBSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@@](O)([C@H]1CC[NH2+]C1)C1(C[NH3+])CC1 306552789 572404631 /nfs/dbraw/zinc/40/46/31/572404631.db2.gz DKAHUKJMMWKHDO-DTWKUNHWSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@](O)([C@@H]1CC[NH2+]C1)C1(C[NH3+])CC1 306552788 572404925 /nfs/dbraw/zinc/40/49/25/572404925.db2.gz DKAHUKJMMWKHDO-BDAKNGLRSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@@](O)([C@@H]1CC[NH2+]C1)C1(C[NH3+])CC1 306552791 572406726 /nfs/dbraw/zinc/40/67/26/572406726.db2.gz DKAHUKJMMWKHDO-RKDXNWHRSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@@H]1CCCC[N@@H+]1CCCNC(N)=[NH2+] 53278627 572434563 /nfs/dbraw/zinc/43/45/63/572434563.db2.gz HAEJWGWSWXLWCH-SECBINFHSA-N 2 0 198.314 0.734 20 0 ACADRP C[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 44531505 572440655 /nfs/dbraw/zinc/44/06/55/572440655.db2.gz KGCWFZQGOZYCSL-DTWKUNHWSA-N 2 0 172.272 0.038 20 0 ACADRP C[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 44518021 572440924 /nfs/dbraw/zinc/44/09/24/572440924.db2.gz BGNUZVARSJYMDC-VIFPVBQESA-N 2 0 186.299 0.299 20 0 ACADRP C=C/C=C\CC[N@@H+](C)C[C@H](O)C[NH3+] 713716047 572480860 /nfs/dbraw/zinc/48/08/60/572480860.db2.gz HDSYOPKSZWNQCN-UMCURTJPSA-N 2 0 184.283 0.370 20 0 ACADRP C=C/C=C/CC[N@@H+](C)C[C@H](O)C[NH3+] 713716044 572481847 /nfs/dbraw/zinc/48/18/47/572481847.db2.gz HDSYOPKSZWNQCN-ORAHPGNNSA-N 2 0 184.283 0.370 20 0 ACADRP C=C/C=C\CC[N@@H+](C)C[C@@H](O)C[NH3+] 713716039 572483749 /nfs/dbraw/zinc/48/37/49/572483749.db2.gz HDSYOPKSZWNQCN-LWTINBJPSA-N 2 0 184.283 0.370 20 0 ACADRP COC[C@@H]([NH2+]CCCC[NH3+])C(C)C 87479019 572491406 /nfs/dbraw/zinc/49/14/06/572491406.db2.gz DHYDZQPZGREVTE-SNVBAGLBSA-N 2 0 188.315 0.986 20 0 ACADRP COC[C@H]([NH2+]CCCC[NH3+])C(C)C 87479021 572493036 /nfs/dbraw/zinc/49/30/36/572493036.db2.gz DHYDZQPZGREVTE-JTQLQIEISA-N 2 0 188.315 0.986 20 0 ACADRP C[NH2+]CCC[N@H+](C)[C@@H](C)[C@H](C)O 87472763 572504948 /nfs/dbraw/zinc/50/49/48/572504948.db2.gz URVMGERTCBFBKL-IUCAKERBSA-N 2 0 174.288 0.297 20 0 ACADRP C[NH2+]CCC[N@H+](C)[C@H](C)[C@H](C)O 87472764 572506143 /nfs/dbraw/zinc/50/61/43/572506143.db2.gz URVMGERTCBFBKL-BDAKNGLRSA-N 2 0 174.288 0.297 20 0 ACADRP C[NH2+]CCC[N@H+](C)[C@@H](C)[C@@H](C)O 87472761 572507800 /nfs/dbraw/zinc/50/78/00/572507800.db2.gz URVMGERTCBFBKL-DTWKUNHWSA-N 2 0 174.288 0.297 20 0 ACADRP CC[C@H](O)C[N@H+](C)CCC[NH2+]C 87472783 572508621 /nfs/dbraw/zinc/50/86/21/572508621.db2.gz IXSKBYWDYXVWQR-VIFPVBQESA-N 2 0 174.288 0.299 20 0 ACADRP C[NH2+]CCC[N@H+](C)[C@H](C)[C@@H](C)O 87472762 572508943 /nfs/dbraw/zinc/50/89/43/572508943.db2.gz URVMGERTCBFBKL-RKDXNWHRSA-N 2 0 174.288 0.297 20 0 ACADRP C=C/C=C/CCN1CCO[C@H](C[NH3+])C1 713718950 572512951 /nfs/dbraw/zinc/51/29/51/572512951.db2.gz VTCCIZSTCXGBRI-PGLGOXFNSA-N 2 0 196.294 0.778 20 0 ACADRP C=C/C=C/CCN1CCO[C@@H](C[NH3+])C1 713718951 572515944 /nfs/dbraw/zinc/51/59/44/572515944.db2.gz VTCCIZSTCXGBRI-UFFNRZRYSA-N 2 0 196.294 0.778 20 0 ACADRP 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BJVRIXDZJRVCNY-DTWKUNHWSA-N 2 0 192.266 0.768 20 0 ACADRP Cc1cn2c([nH+]1)NC[C@H]1C[NH2+]CC[C@H]12 236046080 572591599 /nfs/dbraw/zinc/59/15/99/572591599.db2.gz BJVRIXDZJRVCNY-RKDXNWHRSA-N 2 0 192.266 0.768 20 0 ACADRP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70074229 572634585 /nfs/dbraw/zinc/63/45/85/572634585.db2.gz AWJIANWJJLTBDX-GHMZBOCLSA-N 2 0 198.310 0.836 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70074528 572634894 /nfs/dbraw/zinc/63/48/94/572634894.db2.gz LYWSLKLWLYBPIX-HBNTYKKESA-N 2 0 198.310 0.835 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70074530 572635503 /nfs/dbraw/zinc/63/55/03/572635503.db2.gz LYWSLKLWLYBPIX-GARJFASQSA-N 2 0 198.310 0.835 20 0 ACADRP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70074230 572636835 /nfs/dbraw/zinc/63/68/35/572636835.db2.gz AWJIANWJJLTBDX-WDEREUQCSA-N 2 0 198.310 0.836 20 0 ACADRP COC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 87645977 572638795 /nfs/dbraw/zinc/63/87/95/572638795.db2.gz KMMMTCORQGVRES-VHSXEESVSA-N 2 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0 188.315 0.951 20 0 ACADRP CC(C)C[NH2+]C[C@@H](C)C[NH3+] 54345808 486755290 /nfs/dbraw/zinc/75/52/90/486755290.db2.gz DUAOCTXGBRHHSF-QMMMGPOBSA-N 2 0 144.262 0.827 20 0 ACADRP CC(C)C[NH2+]C[C@H](C)C[NH3+] 54345809 486755567 /nfs/dbraw/zinc/75/55/67/486755567.db2.gz DUAOCTXGBRHHSF-MRVPVSSYSA-N 2 0 144.262 0.827 20 0 ACADRP CCC[NH+]1CCC(N(C)CC[NH3+])CC1 54416890 486756990 /nfs/dbraw/zinc/75/69/90/486756990.db2.gz NLAHUKUCDPUXCN-UHFFFAOYSA-N 2 0 199.342 0.751 20 0 ACADRP CC[C@@H](C)C[NH2+]CCN1CC[NH2+]CC1 54488867 486758975 /nfs/dbraw/zinc/75/89/75/486758975.db2.gz SJMXMLVVFMZGRV-LLVKDONJSA-N 2 0 199.342 0.527 20 0 ACADRP CC[C@H](C)C[NH2+]CCN1CC[NH2+]CC1 54488869 486759029 /nfs/dbraw/zinc/75/90/29/486759029.db2.gz SJMXMLVVFMZGRV-NSHDSACASA-N 2 0 199.342 0.527 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 61932305 486764168 /nfs/dbraw/zinc/76/41/68/486764168.db2.gz LFMJPFDHJIXVSI-SNVBAGLBSA-N 2 0 186.299 0.707 20 0 ACADRP COCCC[N@H+](C)CC(C)(C)[NH3+] 62036275 486764235 /nfs/dbraw/zinc/76/42/35/486764235.db2.gz NGUVEIFPRMBJGF-UHFFFAOYSA-N 2 0 174.288 0.692 20 0 ACADRP C[NH2+]CCC[N@H+](C)CCCOC 62034017 486764386 /nfs/dbraw/zinc/76/43/86/486764386.db2.gz NTJORWSBUYPHLW-UHFFFAOYSA-N 2 0 174.288 0.564 20 0 ACADRP COCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 62031643 486764511 /nfs/dbraw/zinc/76/45/11/486764511.db2.gz HWEDZNYTOAWJFJ-SNVBAGLBSA-N 2 0 186.299 0.564 20 0 ACADRP COCCC[N@H+](C)C[C@H]1CC[NH2+]C1 62031645 486764605 /nfs/dbraw/zinc/76/46/05/486764605.db2.gz HWEDZNYTOAWJFJ-JTQLQIEISA-N 2 0 186.299 0.564 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 61932306 486764832 /nfs/dbraw/zinc/76/48/32/486764832.db2.gz LFMJPFDHJIXVSI-JTQLQIEISA-N 2 0 186.299 0.707 20 0 ACADRP CC[NH+](CC)[C@H]1CCN(CCC[NH3+])C1 62971924 486767625 /nfs/dbraw/zinc/76/76/25/486767625.db2.gz ZJHZNAKWGAYUAW-NSHDSACASA-N 2 0 199.342 0.751 20 0 ACADRP CC[NH+](CC)[C@@H]1CCN(CCC[NH3+])C1 62971923 486767684 /nfs/dbraw/zinc/76/76/84/486767684.db2.gz ZJHZNAKWGAYUAW-LLVKDONJSA-N 2 0 199.342 0.751 20 0 ACADRP CC[NH+](CC)[C@H]1CCN(CC[NH3+])C1 62971912 486767711 /nfs/dbraw/zinc/76/77/11/486767711.db2.gz LQOHUXRROCRLKQ-JTQLQIEISA-N 2 0 185.315 0.361 20 0 ACADRP CC[NH+](CC)[C@@H]1CCN(CC[NH3+])C1 62971911 486767825 /nfs/dbraw/zinc/76/78/25/486767825.db2.gz LQOHUXRROCRLKQ-SNVBAGLBSA-N 2 0 185.315 0.361 20 0 ACADRP C[NH+]1CCC(C[N@H+](C)CCC[NH3+])CC1 63120125 486769703 /nfs/dbraw/zinc/76/97/03/486769703.db2.gz WHXOJNCHTMUZIW-UHFFFAOYSA-N 3 0 199.342 0.609 20 0 ACADRP C[NH+](C)CCC[NH2+]CC1(C)COC1 70616813 486787478 /nfs/dbraw/zinc/78/74/78/486787478.db2.gz JELLNTRPZWZUOI-UHFFFAOYSA-N 2 0 186.299 0.564 20 0 ACADRP CC[C@H](COC)[NH2+]CCC[NH+](C)C 70623696 486788389 /nfs/dbraw/zinc/78/83/89/486788389.db2.gz ILXMATSFQCNOME-SNVBAGLBSA-N 2 0 188.315 0.953 20 0 ACADRP CC[C@@H](COC)[NH2+]CCC[NH+](C)C 70623695 486788636 /nfs/dbraw/zinc/78/86/36/486788636.db2.gz ILXMATSFQCNOME-JTQLQIEISA-N 2 0 188.315 0.953 20 0 ACADRP C[NH2+]C[C@H]1CC[N@H+](CC(C)(C)O)C1 70800051 486793371 /nfs/dbraw/zinc/79/33/71/486793371.db2.gz WOCYZJGUQXHEDY-SECBINFHSA-N 2 0 186.299 0.299 20 0 ACADRP C[NH2+]C[C@@H]1CC[N@H+](CC(C)(C)O)C1 70800054 486793902 /nfs/dbraw/zinc/79/39/02/486793902.db2.gz WOCYZJGUQXHEDY-VIFPVBQESA-N 2 0 186.299 0.299 20 0 ACADRP COCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 70975631 486798238 /nfs/dbraw/zinc/79/82/38/486798238.db2.gz QHFQBMUHABOBOZ-JTQLQIEISA-N 2 0 186.299 0.694 20 0 ACADRP COCC[N@@H+]1CCC[C@H](CC[NH3+])C1 70975629 486798301 /nfs/dbraw/zinc/79/83/01/486798301.db2.gz QHFQBMUHABOBOZ-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP C[N@H+](CCN1CC[NH2+]CC1)C(C)(C)C 77296729 486802540 /nfs/dbraw/zinc/80/25/40/486802540.db2.gz NNWNDJAQZXCRMU-UHFFFAOYSA-N 2 0 199.342 0.622 20 0 ACADRP C[NH2+]CCCN(C)C1CC[NH2+]CC1 78843713 486803242 /nfs/dbraw/zinc/80/32/42/486803242.db2.gz BLEYUSZFWLUQOG-UHFFFAOYSA-N 2 0 185.315 0.280 20 0 ACADRP CCCN(CCC[NH3+])C1CC[NH2+]CC1 78843559 486803498 /nfs/dbraw/zinc/80/34/98/486803498.db2.gz KXWOACMAKKHZTN-UHFFFAOYSA-N 2 0 199.342 0.799 20 0 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86401615 486878127 /nfs/dbraw/zinc/87/81/27/486878127.db2.gz AYRQPJCOVHQJSK-BDAKNGLRSA-N 2 0 172.272 0.492 20 0 ACADRP COC[C@@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86401741 486878235 /nfs/dbraw/zinc/87/82/35/486878235.db2.gz PHTPJOKYDKFGHR-KXUCPTDWSA-N 2 0 186.299 0.881 20 0 ACADRP C[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402762 486878674 /nfs/dbraw/zinc/87/86/74/486878674.db2.gz WTWAAEIOQCCEOA-VGMNWLOBSA-N 2 0 172.272 0.227 20 0 ACADRP CC[C@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402460 486878699 /nfs/dbraw/zinc/87/86/99/486878699.db2.gz BUKJRELAJJUGLN-AEJSXWLSSA-N 2 0 186.299 0.617 20 0 ACADRP C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+](C)C 86403405 486878713 /nfs/dbraw/zinc/87/87/13/486878713.db2.gz KLVVVYWJWUWQSH-OUAUKWLOSA-N 2 0 199.342 0.796 20 0 ACADRP CCOCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402911 486878759 /nfs/dbraw/zinc/87/87/59/486878759.db2.gz NKPUQJDFRJLSRD-UWVGGRQHSA-N 2 0 186.299 0.882 20 0 ACADRP C[C@@H](CO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402760 486878793 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CCOCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86402913 486879440 /nfs/dbraw/zinc/87/94/40/486879440.db2.gz NKPUQJDFRJLSRD-NXEZZACHSA-N 2 0 186.299 0.882 20 0 ACADRP CCOCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86402909 486879463 /nfs/dbraw/zinc/87/94/63/486879463.db2.gz NKPUQJDFRJLSRD-VHSXEESVSA-N 2 0 186.299 0.882 20 0 ACADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86402457 486879491 /nfs/dbraw/zinc/87/94/91/486879491.db2.gz BUKJRELAJJUGLN-IVZWLZJFSA-N 2 0 186.299 0.617 20 0 ACADRP CC[C@@H]1CCC[N@@H+]1CCOCC[NH3+] 86435432 486879876 /nfs/dbraw/zinc/87/98/76/486879876.db2.gz BOHRBBSPZMFGBN-SNVBAGLBSA-N 2 0 186.299 0.836 20 0 ACADRP CC[N@H+](CCOCC[NH3+])CC(C)C 86435380 486879931 /nfs/dbraw/zinc/87/99/31/486879931.db2.gz DAZUJFPTQWJYNI-UHFFFAOYSA-N 2 0 188.315 0.940 20 0 ACADRP C[C@H]1CCC[N@@H+]1CCOCC[NH3+] 86435431 486879939 /nfs/dbraw/zinc/87/99/39/486879939.db2.gz TUIFQQQUSYXZHK-VIFPVBQESA-N 2 0 172.272 0.446 20 0 ACADRP C[N@H+](CCOCC[NH3+])C1CCCC1 86435372 486879996 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/nfs/dbraw/zinc/94/96/51/486949651.db2.gz LNBASWUELYPFLD-HBNTYKKESA-N 2 0 197.326 0.598 20 0 ACADRP CC[C@H]1C[N@H+](CCC[NH3+])CCCO1 145449471 486951158 /nfs/dbraw/zinc/95/11/58/486951158.db2.gz PNQWGLXRIQSBFJ-JTQLQIEISA-N 2 0 186.299 0.836 20 0 ACADRP CC[C@@H]1C[N@H+](CCC[NH3+])CCCO1 145449274 486951407 /nfs/dbraw/zinc/95/14/07/486951407.db2.gz PNQWGLXRIQSBFJ-SNVBAGLBSA-N 2 0 186.299 0.836 20 0 ACADRP CC[N@H+](C)CCCN1CC[NH+](C)CC1 679318949 486957380 /nfs/dbraw/zinc/95/73/80/486957380.db2.gz NRZDPTFEPZIEEJ-UHFFFAOYSA-N 2 0 199.342 0.576 20 0 ACADRP CC1(C)C[NH2+]CCN1CCC[NH3+] 148074406 486958355 /nfs/dbraw/zinc/95/83/55/486958355.db2.gz MUAQSEKMRWFPGS-UHFFFAOYSA-N 2 0 171.288 0.019 20 0 ACADRP COC[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 156544073 486962359 /nfs/dbraw/zinc/96/23/59/486962359.db2.gz KWCGUELDMMUMLR-DTWKUNHWSA-N 2 0 172.272 0.302 20 0 ACADRP CC(C)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 149494944 486961221 /nfs/dbraw/zinc/96/12/21/486961221.db2.gz LLKLBBQKZXAXOV-NXEZZACHSA-N 2 0 186.299 0.690 20 0 ACADRP CC(C)CN1CCO[C@H]([C@@H](C)[NH3+])C1 149494755 486961474 /nfs/dbraw/zinc/96/14/74/486961474.db2.gz LLKLBBQKZXAXOV-ZJUUUORDSA-N 2 0 186.299 0.690 20 0 ACADRP COC[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 156544253 486962182 /nfs/dbraw/zinc/96/21/82/486962182.db2.gz KWCGUELDMMUMLR-RKDXNWHRSA-N 2 0 172.272 0.302 20 0 ACADRP COCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 156914524 486963301 /nfs/dbraw/zinc/96/33/01/486963301.db2.gz GMWMETHNJLHTKU-RKDXNWHRSA-N 2 0 172.272 0.302 20 0 ACADRP COCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 156914374 486963378 /nfs/dbraw/zinc/96/33/78/486963378.db2.gz GMWMETHNJLHTKU-DTWKUNHWSA-N 2 0 172.272 0.302 20 0 ACADRP COCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 156914809 486963485 /nfs/dbraw/zinc/96/34/85/486963485.db2.gz GMWMETHNJLHTKU-BDAKNGLRSA-N 2 0 172.272 0.302 20 0 ACADRP COCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 156914669 486963514 /nfs/dbraw/zinc/96/35/14/486963514.db2.gz GMWMETHNJLHTKU-IUCAKERBSA-N 2 0 172.272 0.302 20 0 ACADRP 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LZXYFRMWQUGWRX-OUAUKWLOSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCOCC1 300365876 487142833 /nfs/dbraw/zinc/14/28/33/487142833.db2.gz URRSYPYVLPFRCC-KOLCDFICSA-N 2 0 198.310 0.753 20 0 ACADRP CCC[C@@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 300344676 487142858 /nfs/dbraw/zinc/14/28/58/487142858.db2.gz DSPQHUUDDUSTPH-IMSYWVGJSA-N 2 0 168.284 0.982 20 0 ACADRP CCC[C@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 300344673 487143103 /nfs/dbraw/zinc/14/31/03/487143103.db2.gz DSPQHUUDDUSTPH-AXTSPUMRSA-N 2 0 168.284 0.982 20 0 ACADRP C[C@H]1C[NH2+]C[C@@H](C)N1C[C@@H]1CC[NH2+]C1 306344977 487154456 /nfs/dbraw/zinc/15/44/56/487154456.db2.gz NNNXSBUCMXKQIT-OUAUKWLOSA-N 2 0 197.326 0.278 20 0 ACADRP C[C@H]1C[NH2+]C[C@@H](C)N1C[C@H]1CC[NH2+]C1 306344974 487154543 /nfs/dbraw/zinc/15/45/43/487154543.db2.gz NNNXSBUCMXKQIT-AXFHLTTASA-N 2 0 197.326 0.278 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@@H]([C@H](C)[NH3+])C1 306506662 487159076 /nfs/dbraw/zinc/15/90/76/487159076.db2.gz VUKIOLOUKKGPRS-LPEHRKFASA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H](C)[C@@H]1C[NH3+] 306503194 487159078 /nfs/dbraw/zinc/15/90/78/487159078.db2.gz DIROWQBMBUQNPB-GUBZILKMSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@@H](C)[C@@H]1C[NH3+] 306503197 487159080 /nfs/dbraw/zinc/15/90/80/487159080.db2.gz DIROWQBMBUQNPB-UTLUCORTSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H]([C@@H](C)[NH3+])C1 306506659 487159100 /nfs/dbraw/zinc/15/91/00/487159100.db2.gz VUKIOLOUKKGPRS-AEJSXWLSSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H](C)[C@H]1C[NH3+] 306503196 487159103 /nfs/dbraw/zinc/15/91/03/487159103.db2.gz DIROWQBMBUQNPB-LPEHRKFASA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@@H](C)[C@H]1C[NH3+] 306503195 487159161 /nfs/dbraw/zinc/15/91/61/487159161.db2.gz DIROWQBMBUQNPB-KXUCPTDWSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@@H]([C@@H](C)[NH3+])C1 306506661 487159168 /nfs/dbraw/zinc/15/91/68/487159168.db2.gz VUKIOLOUKKGPRS-IVZWLZJFSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H]([C@H](C)[NH3+])C1 306506660 487159171 /nfs/dbraw/zinc/15/91/71/487159171.db2.gz VUKIOLOUKKGPRS-GUBZILKMSA-N 2 0 185.315 0.393 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306556226 487160503 /nfs/dbraw/zinc/16/05/03/487160503.db2.gz GIBDXQILAGTEOA-DCAQKATOSA-N 2 0 198.310 0.705 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306556230 487160641 /nfs/dbraw/zinc/16/06/41/487160641.db2.gz GIBDXQILAGTEOA-HBNTYKKESA-N 2 0 198.310 0.705 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306556224 487160651 /nfs/dbraw/zinc/16/06/51/487160651.db2.gz GIBDXQILAGTEOA-AXFHLTTASA-N 2 0 198.310 0.705 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306556228 487160813 /nfs/dbraw/zinc/16/08/13/487160813.db2.gz GIBDXQILAGTEOA-GARJFASQSA-N 2 0 198.310 0.705 20 0 ACADRP CC(C)(O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306646089 487162703 /nfs/dbraw/zinc/16/27/03/487162703.db2.gz ASDRDGGSFMDDRB-GUBZILKMSA-N 2 0 198.310 0.426 20 0 ACADRP CC(C)(O)C[N@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306646090 487162765 /nfs/dbraw/zinc/16/27/65/487162765.db2.gz ASDRDGGSFMDDRB-IVZWLZJFSA-N 2 0 198.310 0.426 20 0 ACADRP C[C@@H]([NH3+])CNC(=O)C1([NH3+])CCCCC1 306634939 487162829 /nfs/dbraw/zinc/16/28/29/487162829.db2.gz XSRWUJYZEWIIPI-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP CC(C)(O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306646091 487162889 /nfs/dbraw/zinc/16/28/89/487162889.db2.gz ASDRDGGSFMDDRB-LPEHRKFASA-N 2 0 198.310 0.426 20 0 ACADRP C[C@H]([NH3+])CNC(=O)C1([NH3+])CCCCC1 306634940 487163062 /nfs/dbraw/zinc/16/30/62/487163062.db2.gz XSRWUJYZEWIIPI-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP CC(C)(O)C[N@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306646088 487163074 /nfs/dbraw/zinc/16/30/74/487163074.db2.gz ASDRDGGSFMDDRB-AEJSXWLSSA-N 2 0 198.310 0.426 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] 306669044 487164526 /nfs/dbraw/zinc/16/45/26/487164526.db2.gz KTLMWAUITFYQJC-IWSPIJDZSA-N 2 0 199.298 0.110 20 0 ACADRP C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1[NH3+] 306916159 487169488 /nfs/dbraw/zinc/16/94/88/487169488.db2.gz WWFCFVPLIRQNRY-OUAUKWLOSA-N 2 0 198.310 0.692 20 0 ACADRP C[C@@H](N)c1nc(C2([NH3+])CCCC2)no1 306990750 487171242 /nfs/dbraw/zinc/17/12/42/487171242.db2.gz JIWUFDOXDMPPQV-ZCFIWIBFSA-N 2 0 196.254 0.817 20 0 ACADRP COc1ccncc1NC(=O)[C@@H](C)[NH3+] 306991801 487171524 /nfs/dbraw/zinc/17/15/24/487171524.db2.gz KTLQCPFORWAVMX-ZCFIWIBFSA-N 2 0 195.222 0.376 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 307003589 487171784 /nfs/dbraw/zinc/17/17/84/487171784.db2.gz DMAOUGOCSDLQRU-XWLWVQCSSA-N 2 0 198.310 0.345 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 307003586 487172204 /nfs/dbraw/zinc/17/22/04/487172204.db2.gz DMAOUGOCSDLQRU-LNFKQOIKSA-N 2 0 198.310 0.345 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 307003588 487172331 /nfs/dbraw/zinc/17/23/31/487172331.db2.gz DMAOUGOCSDLQRU-UKKRHICBSA-N 2 0 198.310 0.345 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@@H](C)[NH3+] 307191969 487176012 /nfs/dbraw/zinc/17/60/12/487176012.db2.gz LHMUMRKWAQWPOM-IVZWLZJFSA-N 2 0 185.315 0.535 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]([C@@H](C)[NH3+])C1 307192362 487176029 /nfs/dbraw/zinc/17/60/29/487176029.db2.gz LRDAXKDANXDSJX-DJLDLDEBSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([C@@H](C)[NH3+])C1 307192364 487176143 /nfs/dbraw/zinc/17/61/43/487176143.db2.gz LRDAXKDANXDSJX-YIZRAAEISA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@H]1[C@H](C)[NH3+] 307191968 487176155 /nfs/dbraw/zinc/17/61/55/487176155.db2.gz LHMUMRKWAQWPOM-GUBZILKMSA-N 2 0 185.315 0.535 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]([C@H](C)[NH3+])C1 307192363 487176158 /nfs/dbraw/zinc/17/61/58/487176158.db2.gz LRDAXKDANXDSJX-XHNCKOQMSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@H]1[C@@H](C)[NH3+] 307191967 487176238 /nfs/dbraw/zinc/17/62/38/487176238.db2.gz LHMUMRKWAQWPOM-AEJSXWLSSA-N 2 0 185.315 0.535 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([C@H](C)[NH3+])C1 307192361 487176350 /nfs/dbraw/zinc/17/63/50/487176350.db2.gz LRDAXKDANXDSJX-CIUDSAMLSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@@H]1[C@H](C)[NH3+] 307191970 487176450 /nfs/dbraw/zinc/17/64/50/487176450.db2.gz LHMUMRKWAQWPOM-LPEHRKFASA-N 2 0 185.315 0.535 20 0 ACADRP C[C@H]([NH3+])CN1C[C@@H](C[NH3+])C[C@@H]1C 307694630 487188196 /nfs/dbraw/zinc/18/81/96/487188196.db2.gz XMBODBNNCGHMBA-XHNCKOQMSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1C[C@@H](C[NH3+])C[C@H]1C 307694629 487188313 /nfs/dbraw/zinc/18/83/13/487188313.db2.gz XMBODBNNCGHMBA-DJLDLDEBSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H](C[NH3+])N(C)CC(C)(C)[NH3+] 307696309 487188324 /nfs/dbraw/zinc/18/83/24/487188324.db2.gz DDXGUFPKBCSJQI-SSDOTTSWSA-N 2 0 159.277 0.003 20 0 ACADRP C[C@@H](C[NH3+])N(C)CC(C)(C)[NH3+] 307696310 487188436 /nfs/dbraw/zinc/18/84/36/487188436.db2.gz DDXGUFPKBCSJQI-ZETCQYMHSA-N 2 0 159.277 0.003 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])C[C@@H]1C 307694628 487188454 /nfs/dbraw/zinc/18/84/54/487188454.db2.gz XMBODBNNCGHMBA-CIUDSAMLSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])C[C@H]1C 307694631 487188544 /nfs/dbraw/zinc/18/85/44/487188544.db2.gz XMBODBNNCGHMBA-YIZRAAEISA-N 2 0 171.288 0.003 20 0 ACADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CC[NH2+]C1 307702731 487188857 /nfs/dbraw/zinc/18/88/57/487188857.db2.gz URZBOYADVJXESU-MXWKQRLJSA-N 2 0 197.326 0.408 20 0 ACADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CC[NH2+]C1 307702730 487188944 /nfs/dbraw/zinc/18/89/44/487188944.db2.gz URZBOYADVJXESU-GMTAPVOTSA-N 2 0 197.326 0.408 20 0 ACADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CC[NH2+]C1 307702733 487188957 /nfs/dbraw/zinc/18/89/57/487188957.db2.gz URZBOYADVJXESU-OUAUKWLOSA-N 2 0 197.326 0.408 20 0 ACADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CC[NH2+]C1 307702734 487189013 /nfs/dbraw/zinc/18/90/13/487189013.db2.gz URZBOYADVJXESU-VWYCJHECSA-N 2 0 197.326 0.408 20 0 ACADRP CC1([NH3+])CC[NH+](C[C@H]2CCOC2)CC1 307721508 487189514 /nfs/dbraw/zinc/18/95/14/487189514.db2.gz QSOBAZZKMYTPBU-SNVBAGLBSA-N 2 0 198.310 0.836 20 0 ACADRP C[N@H+](CCCF)C1CC([NH3+])C1 307717483 487189557 /nfs/dbraw/zinc/18/95/57/487189557.db2.gz NAVZQZCMMLXHLN-UHFFFAOYSA-N 2 0 160.236 0.768 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 307726010 487189639 /nfs/dbraw/zinc/18/96/39/487189639.db2.gz CLQSHRUEDDKVGL-LMLFDSFASA-N 2 0 198.310 0.759 20 0 ACADRP CC1([NH3+])CC[NH+](C[C@@H]2CCOC2)CC1 307721507 487189665 /nfs/dbraw/zinc/18/96/65/487189665.db2.gz QSOBAZZKMYTPBU-JTQLQIEISA-N 2 0 198.310 0.836 20 0 ACADRP CC[C@@H]1CN(CC[NH3+])CC[C@@H]1[NH3+] 307759869 487191512 /nfs/dbraw/zinc/19/15/12/487191512.db2.gz UHAJGNLGQUEFFM-BDAKNGLRSA-N 2 0 171.288 0.004 20 0 ACADRP CC[C@H](COC)[NH2+]C[C@H](C)C[NH3+] 307970952 487192309 /nfs/dbraw/zinc/19/23/09/487192309.db2.gz XNOQZQDILVMQTC-RKDXNWHRSA-N 2 0 174.288 0.596 20 0 ACADRP CC[C@@H](COC)[NH2+]C[C@H](C)C[NH3+] 307970949 487192628 /nfs/dbraw/zinc/19/26/28/487192628.db2.gz XNOQZQDILVMQTC-BDAKNGLRSA-N 2 0 174.288 0.596 20 0 ACADRP CC[C@H](COC)[NH2+]C[C@@H](C)C[NH3+] 307970950 487192716 /nfs/dbraw/zinc/19/27/16/487192716.db2.gz XNOQZQDILVMQTC-DTWKUNHWSA-N 2 0 174.288 0.596 20 0 ACADRP CC[C@@H](COC)[NH2+]C[C@@H](C)C[NH3+] 307970951 487192792 /nfs/dbraw/zinc/19/27/92/487192792.db2.gz XNOQZQDILVMQTC-IUCAKERBSA-N 2 0 174.288 0.596 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H](C)CCCC[NH3+] 308117938 487193989 /nfs/dbraw/zinc/19/39/89/487193989.db2.gz ARJSOLFOKFOVRX-VHSXEESVSA-N 2 0 188.315 0.864 20 0 ACADRP CC[C@@H](O)C[NH2+][C@H](C)CCCC[NH3+] 308117936 487194084 /nfs/dbraw/zinc/19/40/84/487194084.db2.gz ARJSOLFOKFOVRX-NXEZZACHSA-N 2 0 188.315 0.864 20 0 ACADRP COCC(C)(C)C[NH2+]CC(C)(C)[NH3+] 308196730 487196032 /nfs/dbraw/zinc/19/60/32/487196032.db2.gz NCIFZPVLQPCHPK-UHFFFAOYSA-N 2 0 188.315 0.986 20 0 ACADRP COC[C@@]1(C[NH2+]C(C)C)CCC[NH2+]1 308212879 487196612 /nfs/dbraw/zinc/19/66/12/487196612.db2.gz XJOWMNUAGRABDC-JTQLQIEISA-N 2 0 186.299 0.753 20 0 ACADRP COC[C@]1(C[NH2+]C(C)C)CCC[NH2+]1 308212881 487196924 /nfs/dbraw/zinc/19/69/24/487196924.db2.gz XJOWMNUAGRABDC-SNVBAGLBSA-N 2 0 186.299 0.753 20 0 ACADRP COCC(C)(C)C[NH2+]C[C@@H](C)C[NH3+] 308274344 487198274 /nfs/dbraw/zinc/19/82/74/487198274.db2.gz URRQRSYFQGNDLH-VIFPVBQESA-N 2 0 188.315 0.843 20 0 ACADRP COCC(C)(C)C[NH2+]C[C@H](C)C[NH3+] 308274343 487198339 /nfs/dbraw/zinc/19/83/39/487198339.db2.gz URRQRSYFQGNDLH-SECBINFHSA-N 2 0 188.315 0.843 20 0 ACADRP CCC(CC)C[N@H+](C)C[C@@H](O)C[NH3+] 308414170 487200446 /nfs/dbraw/zinc/20/04/46/487200446.db2.gz PWPHZIGGSNJLQR-JTQLQIEISA-N 2 0 188.315 0.674 20 0 ACADRP CCC(CC)C[N@H+](C)C[C@H](O)C[NH3+] 308414171 487200743 /nfs/dbraw/zinc/20/07/43/487200743.db2.gz PWPHZIGGSNJLQR-SNVBAGLBSA-N 2 0 188.315 0.674 20 0 ACADRP CN(C)CC(C)(C)[NH2+]CCCO 308633225 487205143 /nfs/dbraw/zinc/20/51/43/487205143.db2.gz VRCFBKZPLYYJFP-UHFFFAOYSA-N 2 0 174.288 0.299 20 0 ACADRP CC1(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCC1 334846475 487229391 /nfs/dbraw/zinc/22/93/91/487229391.db2.gz IDTIYSNQLLKVAV-MYJAWHEDSA-N 2 0 180.295 0.984 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H]([NH3+])C1 379371736 487240437 /nfs/dbraw/zinc/24/04/37/487240437.db2.gz IJHRMVVMCNQXHZ-SECBINFHSA-N 2 0 171.288 0.019 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H]1C[NH3+] 379372921 487240624 /nfs/dbraw/zinc/24/06/24/487240624.db2.gz KHNBADGROKLQFO-SECBINFHSA-N 2 0 171.288 0.019 20 0 ACADRP C[NH2+]CCCN1CCC[C@H]([NH3+])C1 379371743 487240689 /nfs/dbraw/zinc/24/06/89/487240689.db2.gz IJHRMVVMCNQXHZ-VIFPVBQESA-N 2 0 171.288 0.019 20 0 ACADRP CC(C)[N@H+](C)C[C@H](O)Cn1ccnc1 379543783 487245137 /nfs/dbraw/zinc/24/51/37/487245137.db2.gz TUKCWXQLNOBDAR-JTQLQIEISA-N 2 0 197.282 0.584 20 0 ACADRP CC(C)[N@H+](C)C[C@@H](O)Cn1ccnc1 379543784 487245218 /nfs/dbraw/zinc/24/52/18/487245218.db2.gz TUKCWXQLNOBDAR-SNVBAGLBSA-N 2 0 197.282 0.584 20 0 ACADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH2+]C1CC1 382606596 487250488 /nfs/dbraw/zinc/25/04/88/487250488.db2.gz XQJXKKVYANTUMG-GXSJLCMTSA-N 2 0 198.310 0.896 20 0 ACADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 382606607 487250535 /nfs/dbraw/zinc/25/05/35/487250535.db2.gz XQJXKKVYANTUMG-ONGXEEELSA-N 2 0 198.310 0.896 20 0 ACADRP C[C@H]1OCC[C@@H]1[NH2+]CCC[NH2+]C1CC1 382606604 487250551 /nfs/dbraw/zinc/25/05/51/487250551.db2.gz XQJXKKVYANTUMG-KOLCDFICSA-N 2 0 198.310 0.896 20 0 ACADRP C[C@H]1OCC[C@H]1[NH2+]CCC[NH2+]C1CC1 382606605 487250866 /nfs/dbraw/zinc/25/08/66/487250866.db2.gz XQJXKKVYANTUMG-MWLCHTKSSA-N 2 0 198.310 0.896 20 0 ACADRP C[NH+](C)C[C@@H]1CCN(CC(C)(C)[NH3+])C1 393619731 487267285 /nfs/dbraw/zinc/26/72/85/487267285.db2.gz OLHOWILNSQQGDH-JTQLQIEISA-N 2 0 199.342 0.607 20 0 ACADRP C[NH+](C)C[C@H]1CCN(CC(C)(C)[NH3+])C1 393619734 487267337 /nfs/dbraw/zinc/26/73/37/487267337.db2.gz OLHOWILNSQQGDH-SNVBAGLBSA-N 2 0 199.342 0.607 20 0 ACADRP CCOCC[NH2+][C@](C)(C[NH3+])C1CC1 393663471 487268157 /nfs/dbraw/zinc/26/81/57/487268157.db2.gz BKDVCALRGXKMJT-SNVBAGLBSA-N 2 0 186.299 0.740 20 0 ACADRP CCOCC[NH2+][C@@](C)(C[NH3+])C1CC1 393663469 487268220 /nfs/dbraw/zinc/26/82/20/487268220.db2.gz BKDVCALRGXKMJT-JTQLQIEISA-N 2 0 186.299 0.740 20 0 ACADRP C[C@@H](CCCCO)[NH2+][C@H]1CC[NH2+]C1 398578542 487284977 /nfs/dbraw/zinc/28/49/77/487284977.db2.gz KQLUKWVKFNHRPS-UWVGGRQHSA-N 2 0 186.299 0.489 20 0 ACADRP C[C@H](CCCCO)[NH2+][C@H]1CC[NH2+]C1 398578544 487285152 /nfs/dbraw/zinc/28/51/52/487285152.db2.gz KQLUKWVKFNHRPS-ZJUUUORDSA-N 2 0 186.299 0.489 20 0 ACADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]([NH3+])C1CC1 399185285 487285718 /nfs/dbraw/zinc/28/57/18/487285718.db2.gz FXHAQVNQCITDFG-FKTZTGRPSA-N 2 0 168.284 0.969 20 0 ACADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]([NH3+])C1CC1 399185290 487285809 /nfs/dbraw/zinc/28/58/09/487285809.db2.gz FXHAQVNQCITDFG-SZEHBUNVSA-N 2 0 168.284 0.969 20 0 ACADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]([NH3+])C1CC1 399185286 487285854 /nfs/dbraw/zinc/28/58/54/487285854.db2.gz FXHAQVNQCITDFG-JEZHCXPESA-N 2 0 168.284 0.969 20 0 ACADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]([NH3+])C1CC1 399185288 487286317 /nfs/dbraw/zinc/28/63/17/487286317.db2.gz FXHAQVNQCITDFG-QNSHHTMESA-N 2 0 168.284 0.969 20 0 ACADRP CC(C)C[NH2+]C[C@@H]([NH3+])C1CC1 399213535 487286864 /nfs/dbraw/zinc/28/68/64/487286864.db2.gz SKVWAXZDBRZHRS-SECBINFHSA-N 2 0 156.273 0.969 20 0 ACADRP CC(C)C[NH2+]C[C@H]([NH3+])C1CC1 399213536 487287140 /nfs/dbraw/zinc/28/71/40/487287140.db2.gz SKVWAXZDBRZHRS-VIFPVBQESA-N 2 0 156.273 0.969 20 0 ACADRP CCO[C@@H]1C[N@@H+](C(C)C)C[C@H]1C[NH3+] 405782709 487292965 /nfs/dbraw/zinc/29/29/65/487292965.db2.gz MRICICZNOUOKNW-NXEZZACHSA-N 2 0 186.299 0.690 20 0 ACADRP CCC[N@H+]1C[C@@H](OCC)[C@H](C[NH3+])C1 405823508 487293010 /nfs/dbraw/zinc/29/30/10/487293010.db2.gz XGDVHQRMWAQCSD-NXEZZACHSA-N 2 0 186.299 0.692 20 0 ACADRP CCO[C@@H]1C[N@H+](CC)C[C@H]1C[NH3+] 405779214 487293088 /nfs/dbraw/zinc/29/30/88/487293088.db2.gz LVUNYALRHZSTPJ-RKDXNWHRSA-N 2 0 172.272 0.302 20 0 ACADRP C[N@@H+]1CCCC[C@@H](CNC(N)=[NH2+])C1 606259775 487303553 /nfs/dbraw/zinc/30/35/53/487303553.db2.gz LNPGABURFIWEFR-QMMMGPOBSA-N 2 0 184.287 0.201 20 0 ACADRP C[N@@H+]1CCCC[C@H](CNC(N)=[NH2+])C1 606259772 487303747 /nfs/dbraw/zinc/30/37/47/487303747.db2.gz LNPGABURFIWEFR-MRVPVSSYSA-N 2 0 184.287 0.201 20 0 ACADRP CC(C)(C)C[N@H+](CCO)CCC[NH3+] 666639267 487331010 /nfs/dbraw/zinc/33/10/10/487331010.db2.gz WUJDXLMOHXKDQB-UHFFFAOYSA-N 2 0 188.315 0.676 20 0 ACADRP C[N@H+](CCC[NH3+])[C@@H](CO)C(C)(C)C 666648142 487331946 /nfs/dbraw/zinc/33/19/46/487331946.db2.gz WIDHCAXJBLOOEZ-VIFPVBQESA-N 2 0 188.315 0.674 20 0 ACADRP CC[C@]1(CO)CCC[N@@H+]1CCC[NH3+] 666693620 487332046 /nfs/dbraw/zinc/33/20/46/487332046.db2.gz CLZUIRDFVBGOKZ-SNVBAGLBSA-N 2 0 186.299 0.572 20 0 ACADRP C[N@H+](CCC[NH3+])C[C@H]1CCC[C@@H]1O 666650442 487332164 /nfs/dbraw/zinc/33/21/64/487332164.db2.gz VULPLNHVAWNECB-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP C[N@H+](CCC[NH3+])[C@H](CO)C(C)(C)C 666648141 487332179 /nfs/dbraw/zinc/33/21/79/487332179.db2.gz WIDHCAXJBLOOEZ-SECBINFHSA-N 2 0 188.315 0.674 20 0 ACADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC[C@@H]1O 666650440 487332204 /nfs/dbraw/zinc/33/22/04/487332204.db2.gz VULPLNHVAWNECB-UWVGGRQHSA-N 2 0 186.299 0.428 20 0 ACADRP CC[C@@]1(CO)CCC[N@@H+]1CCC[NH3+] 666693619 487332292 /nfs/dbraw/zinc/33/22/92/487332292.db2.gz CLZUIRDFVBGOKZ-JTQLQIEISA-N 2 0 186.299 0.572 20 0 ACADRP CC[N@@H+]1C[C@@H](C)N(CCC[NH3+])C[C@H]1C 666693657 487332301 /nfs/dbraw/zinc/33/23/01/487332301.db2.gz PGKRWEOBOWFJIS-GHMZBOCLSA-N 2 0 199.342 0.750 20 0 ACADRP C[N@H+](CCC[NH3+])C[C@H]1CCC[C@H]1O 666650439 487332354 /nfs/dbraw/zinc/33/23/54/487332354.db2.gz VULPLNHVAWNECB-NXEZZACHSA-N 2 0 186.299 0.428 20 0 ACADRP CC[N@@H+]1C[C@H](C)N(CCC[NH3+])C[C@H]1C 666693659 487332363 /nfs/dbraw/zinc/33/23/63/487332363.db2.gz PGKRWEOBOWFJIS-MNOVXSKESA-N 2 0 199.342 0.750 20 0 ACADRP C[N@H+](CCC[NH3+])C[C@@H]1CCC[C@H]1O 666650441 487332385 /nfs/dbraw/zinc/33/23/85/487332385.db2.gz VULPLNHVAWNECB-VHSXEESVSA-N 2 0 186.299 0.428 20 0 ACADRP CC[N@@H+]1C[C@@H](C)N(CCC[NH3+])C[C@@H]1C 666693661 487332575 /nfs/dbraw/zinc/33/25/75/487332575.db2.gz PGKRWEOBOWFJIS-WDEREUQCSA-N 2 0 199.342 0.750 20 0 ACADRP CC[N@@H+]1C[C@H](C)N(CCC[NH3+])C[C@@H]1C 666693660 487332599 /nfs/dbraw/zinc/33/25/99/487332599.db2.gz PGKRWEOBOWFJIS-QWRGUYRKSA-N 2 0 199.342 0.750 20 0 ACADRP CC[C@@H](COC)[NH2+]C[C@@H]([NH3+])C(C)C 666741314 487333074 /nfs/dbraw/zinc/33/30/74/487333074.db2.gz RGZBLVJLCNWXJC-VHSXEESVSA-N 2 0 188.315 0.984 20 0 ACADRP CC[C@H](COC)[NH2+]C[C@H]([NH3+])C(C)C 666741315 487333218 /nfs/dbraw/zinc/33/32/18/487333218.db2.gz RGZBLVJLCNWXJC-ZJUUUORDSA-N 2 0 188.315 0.984 20 0 ACADRP CC[C@@H](COC)[NH2+]C[C@H]([NH3+])C(C)C 666741312 487333238 /nfs/dbraw/zinc/33/32/38/487333238.db2.gz RGZBLVJLCNWXJC-UWVGGRQHSA-N 2 0 188.315 0.984 20 0 ACADRP CC[C@H](COC)[NH2+]C[C@@H]([NH3+])C(C)C 666741310 487333551 /nfs/dbraw/zinc/33/35/51/487333551.db2.gz RGZBLVJLCNWXJC-NXEZZACHSA-N 2 0 188.315 0.984 20 0 ACADRP CCOC[C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C 666741434 487334089 /nfs/dbraw/zinc/33/40/89/487334089.db2.gz VYAZJRRKJWDFDX-ZJUUUORDSA-N 2 0 188.315 0.984 20 0 ACADRP CCOC[C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C 666741433 487334299 /nfs/dbraw/zinc/33/42/99/487334299.db2.gz VYAZJRRKJWDFDX-VHSXEESVSA-N 2 0 188.315 0.984 20 0 ACADRP CCOC[C@H](C)[NH2+]C[C@H]([NH3+])C(C)C 666741432 487334319 /nfs/dbraw/zinc/33/43/19/487334319.db2.gz VYAZJRRKJWDFDX-UWVGGRQHSA-N 2 0 188.315 0.984 20 0 ACADRP CCOC[C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C 666741431 487334627 /nfs/dbraw/zinc/33/46/27/487334627.db2.gz VYAZJRRKJWDFDX-NXEZZACHSA-N 2 0 188.315 0.984 20 0 ACADRP CC(C)(C)[NH2+]CCN[C@@H](C[NH3+])C1CC1 666748069 487334911 /nfs/dbraw/zinc/33/49/11/487334911.db2.gz XVWJVTKVNFHMHB-JTQLQIEISA-N 2 0 199.342 0.701 20 0 ACADRP CC(C)(C)[NH2+]CCN[C@H](C[NH3+])C1CC1 666748071 487335261 /nfs/dbraw/zinc/33/52/61/487335261.db2.gz XVWJVTKVNFHMHB-SNVBAGLBSA-N 2 0 199.342 0.701 20 0 ACADRP C1CC[C@H](CN[C@H]2CC[NH2+]C2)[NH2+]C1 666770531 487335711 /nfs/dbraw/zinc/33/57/11/487335711.db2.gz GWTAOLYYWVHONN-ZJUUUORDSA-N 2 0 183.299 0.080 20 0 ACADRP C1CC[C@@H](CN[C@H]2CC[NH2+]C2)[NH2+]C1 666770529 487336114 /nfs/dbraw/zinc/33/61/14/487336114.db2.gz GWTAOLYYWVHONN-UWVGGRQHSA-N 2 0 183.299 0.080 20 0 ACADRP C1CC[C@H](CN[C@@H]2CC[NH2+]C2)[NH2+]C1 666770528 487336414 /nfs/dbraw/zinc/33/64/14/487336414.db2.gz GWTAOLYYWVHONN-NXEZZACHSA-N 2 0 183.299 0.080 20 0 ACADRP C1CC[C@@H](CN[C@@H]2CC[NH2+]C2)[NH2+]C1 666770530 487336437 /nfs/dbraw/zinc/33/64/37/487336437.db2.gz GWTAOLYYWVHONN-VHSXEESVSA-N 2 0 183.299 0.080 20 0 ACADRP CCC[NH+]1CCC(NCC[NH2+]C)CC1 666778882 487337452 /nfs/dbraw/zinc/33/74/52/487337452.db2.gz OHBWRATZUGJSNP-UHFFFAOYSA-N 2 0 199.342 0.670 20 0 ACADRP CC[NH2+]CCN[C@H](C)C[C@@H]1CCC[NH2+]1 666782279 487337656 /nfs/dbraw/zinc/33/76/56/487337656.db2.gz ARBARWCTDUJXHM-MNOVXSKESA-N 2 0 199.342 0.716 20 0 ACADRP CCNCC[NH2+]C1CCC(C[NH3+])CC1 666782351 487337798 /nfs/dbraw/zinc/33/77/98/487337798.db2.gz VDGMBUHFIDZQPL-UHFFFAOYSA-N 2 0 199.342 0.703 20 0 ACADRP CC[NH2+]CCN[C@@H](C)C[C@@H]1CCC[NH2+]1 666782280 487337853 /nfs/dbraw/zinc/33/78/53/487337853.db2.gz ARBARWCTDUJXHM-QWRGUYRKSA-N 2 0 199.342 0.716 20 0 ACADRP CCNCC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 666782321 487337908 /nfs/dbraw/zinc/33/79/08/487337908.db2.gz KSVVWPCAVJINRS-QWRGUYRKSA-N 2 0 199.342 0.574 20 0 ACADRP CCNCC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 666782320 487337929 /nfs/dbraw/zinc/33/79/29/487337929.db2.gz KSVVWPCAVJINRS-MNOVXSKESA-N 2 0 199.342 0.574 20 0 ACADRP CCNCC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 666782322 487338070 /nfs/dbraw/zinc/33/80/70/487338070.db2.gz KSVVWPCAVJINRS-WDEREUQCSA-N 2 0 199.342 0.574 20 0 ACADRP CC[NH2+]CCN[C@H](C)C[C@H]1CCC[NH2+]1 666782278 487338131 /nfs/dbraw/zinc/33/81/31/487338131.db2.gz ARBARWCTDUJXHM-GHMZBOCLSA-N 2 0 199.342 0.716 20 0 ACADRP CCNCC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 666782319 487338146 /nfs/dbraw/zinc/33/81/46/487338146.db2.gz KSVVWPCAVJINRS-GHMZBOCLSA-N 2 0 199.342 0.574 20 0 ACADRP CC[NH2+]CCN[C@@H](C)C[C@H]1CCC[NH2+]1 666782281 487338198 /nfs/dbraw/zinc/33/81/98/487338198.db2.gz ARBARWCTDUJXHM-WDEREUQCSA-N 2 0 199.342 0.716 20 0 ACADRP C[NH2+]CCNCC[NH2+]C(C)(C)C 666779490 487338394 /nfs/dbraw/zinc/33/83/94/487338394.db2.gz RLBAMTWOSPFDLL-UHFFFAOYSA-N 2 0 173.304 0.184 20 0 ACADRP CC[NH2+]CCNCC[NH2+]C(C)(C)C 666782299 487338428 /nfs/dbraw/zinc/33/84/28/487338428.db2.gz GYPDGURJEZYFEO-UHFFFAOYSA-N 2 0 187.331 0.574 20 0 ACADRP CC(C)(C)[NH2+]CCNC[C@@H]1CCC[NH2+]1 666783961 487338924 /nfs/dbraw/zinc/33/89/24/487338924.db2.gz WPQDTJMIYYSQMH-JTQLQIEISA-N 2 0 199.342 0.716 20 0 ACADRP [NH3+]CCCN[C@@H](C[NH3+])C1CCCCC1 666801251 487339315 /nfs/dbraw/zinc/33/93/15/487339315.db2.gz BDDVUAROOQAUPI-NSHDSACASA-N 2 0 199.342 0.832 20 0 ACADRP [NH3+]CCCN[C@H](C[NH3+])C1CCCCC1 666801250 487339005 /nfs/dbraw/zinc/33/90/05/487339005.db2.gz BDDVUAROOQAUPI-LLVKDONJSA-N 2 0 199.342 0.832 20 0 ACADRP CC(C)(C)[NH2+]CCNC[C@H]1CCC[NH2+]1 666783963 487339032 /nfs/dbraw/zinc/33/90/32/487339032.db2.gz WPQDTJMIYYSQMH-SNVBAGLBSA-N 2 0 199.342 0.716 20 0 ACADRP C[NH2+]CCCN[C@H](C)C[C@@H]1CCC[NH2+]1 666808080 487339472 /nfs/dbraw/zinc/33/94/72/487339472.db2.gz JQTVDSWMPOLDIO-MNOVXSKESA-N 2 0 199.342 0.716 20 0 ACADRP CCOC[C@@H](C)[NH2+]CCC[NH2+]C 666808083 487339499 /nfs/dbraw/zinc/33/94/99/487339499.db2.gz KITIHZWBDOSKNV-SECBINFHSA-N 2 0 174.288 0.611 20 0 ACADRP C[NH2+]CCC[NH2+]CC(C)(C)COC 666808068 487339654 /nfs/dbraw/zinc/33/96/54/487339654.db2.gz GIGLKPASYUBEFC-UHFFFAOYSA-N 2 0 188.315 0.858 20 0 ACADRP C[NH2+]CCCN[C@@H](C)C[C@H]1CCC[NH2+]1 666808082 487339673 /nfs/dbraw/zinc/33/96/73/487339673.db2.gz JQTVDSWMPOLDIO-WDEREUQCSA-N 2 0 199.342 0.716 20 0 ACADRP C[NH2+]CCCN[C@H](C)C[C@H]1CCC[NH2+]1 666808079 487339732 /nfs/dbraw/zinc/33/97/32/487339732.db2.gz JQTVDSWMPOLDIO-GHMZBOCLSA-N 2 0 199.342 0.716 20 0 ACADRP CCOC[C@H](C)[NH2+]CCC[NH2+]C 666808084 487339779 /nfs/dbraw/zinc/33/97/79/487339779.db2.gz KITIHZWBDOSKNV-VIFPVBQESA-N 2 0 174.288 0.611 20 0 ACADRP C[NH2+]CCCN[C@@H](C)C[C@@H]1CCC[NH2+]1 666808081 487339791 /nfs/dbraw/zinc/33/97/91/487339791.db2.gz JQTVDSWMPOLDIO-QWRGUYRKSA-N 2 0 199.342 0.716 20 0 ACADRP CC[C@H](COC)[NH2+]CCC[NH2+]C 666808102 487340009 /nfs/dbraw/zinc/34/00/09/487340009.db2.gz NTIRTAYXSKAPCJ-SECBINFHSA-N 2 0 174.288 0.611 20 0 ACADRP C[NH2+]CCCNCC[NH2+]C(C)(C)C 666808055 487340059 /nfs/dbraw/zinc/34/00/59/487340059.db2.gz CTIDPZTWDMVFON-UHFFFAOYSA-N 2 0 187.331 0.574 20 0 ACADRP CC[C@@H](COC)[NH2+]CCC[NH2+]C 666808103 487340098 /nfs/dbraw/zinc/34/00/98/487340098.db2.gz NTIRTAYXSKAPCJ-VIFPVBQESA-N 2 0 174.288 0.611 20 0 ACADRP CC[C@@H](COC)[NH2+]CC1([NH3+])CCC1 666827587 487340598 /nfs/dbraw/zinc/34/05/98/487340598.db2.gz FKEFHUFYWNADTF-VIFPVBQESA-N 2 0 186.299 0.882 20 0 ACADRP CC(C)(C)[NH2+]CCNCC1([NH3+])CCC1 666827588 487340452 /nfs/dbraw/zinc/34/04/52/487340452.db2.gz FSTXTODVNQTQLK-UHFFFAOYSA-N 2 0 199.342 0.846 20 0 ACADRP C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@H](C)C[NH3+] 666827619 487340621 /nfs/dbraw/zinc/34/06/21/487340621.db2.gz OSSJHYNEQXQCTL-VWYCJHECSA-N 2 0 199.342 0.701 20 0 ACADRP CC[C@H](COC)[NH2+]CC1([NH3+])CCC1 666827586 487340726 /nfs/dbraw/zinc/34/07/26/487340726.db2.gz FKEFHUFYWNADTF-SECBINFHSA-N 2 0 186.299 0.882 20 0 ACADRP C[C@H](C[NH3+])CN[C@H](C)C[C@@H]1CCC[NH2+]1 666827617 487340764 /nfs/dbraw/zinc/34/07/64/487340764.db2.gz OSSJHYNEQXQCTL-MXWKQRLJSA-N 2 0 199.342 0.701 20 0 ACADRP C[C@H](C[NH3+])CNCC[NH2+]C(C)(C)C 666827584 487340797 /nfs/dbraw/zinc/34/07/97/487340797.db2.gz DHUBTIZFCDTMED-SECBINFHSA-N 2 0 187.331 0.559 20 0 ACADRP C[C@H](C[NH3+])CN[C@H](C)C[C@H]1CCC[NH2+]1 666827616 487340851 /nfs/dbraw/zinc/34/08/51/487340851.db2.gz OSSJHYNEQXQCTL-GMTAPVOTSA-N 2 0 199.342 0.701 20 0 ACADRP CC[C@@H](COC)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940436 487350239 /nfs/dbraw/zinc/35/02/39/487350239.db2.gz PAPLTDQOEURCJH-AXTSPUMRSA-N 2 0 184.283 0.219 20 0 ACADRP CC(C)(C)[NH2+]CCN[C@@H]1CCC[NH2+]C1 666814536 487340918 /nfs/dbraw/zinc/34/09/18/487340918.db2.gz NGXFHHLOFTZCBS-SNVBAGLBSA-N 2 0 199.342 0.716 20 0 ACADRP CCC[NH2+]CCN[C@H]1CCC[NH2+]CC1 666820785 487340934 /nfs/dbraw/zinc/34/09/34/487340934.db2.gz ATKGJUYPARJVQO-NSHDSACASA-N 2 0 199.342 0.718 20 0 ACADRP C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@H](C)C[NH3+] 666827618 487340937 /nfs/dbraw/zinc/34/09/37/487340937.db2.gz OSSJHYNEQXQCTL-OUAUKWLOSA-N 2 0 199.342 0.701 20 0 ACADRP CCC[NH2+]CCN[C@@H]1CCC[NH2+]CC1 666820783 487340959 /nfs/dbraw/zinc/34/09/59/487340959.db2.gz ATKGJUYPARJVQO-LLVKDONJSA-N 2 0 199.342 0.718 20 0 ACADRP CC(C)(C)[NH2+]CCN[C@H]1CCC[NH2+]C1 666814534 487340970 /nfs/dbraw/zinc/34/09/70/487340970.db2.gz NGXFHHLOFTZCBS-JTQLQIEISA-N 2 0 199.342 0.716 20 0 ACADRP C[C@@H](C[NH3+])CNCC[NH2+]C(C)(C)C 666827585 487340994 /nfs/dbraw/zinc/34/09/94/487340994.db2.gz DHUBTIZFCDTMED-VIFPVBQESA-N 2 0 187.331 0.559 20 0 ACADRP COCC(C)(C)C[NH2+][C@@H](C)CC[NH3+] 666833220 487341147 /nfs/dbraw/zinc/34/11/47/487341147.db2.gz VEILSTDTJKIPBE-VIFPVBQESA-N 2 0 188.315 0.986 20 0 ACADRP CC(C)(C)[NH2+]CCNC[C@@H]([NH3+])C1CC1 666835812 487341295 /nfs/dbraw/zinc/34/12/95/487341295.db2.gz HCOIMCIXGVIURX-SNVBAGLBSA-N 2 0 199.342 0.701 20 0 ACADRP CC(C)(C)[NH2+]CCNC[C@H]([NH3+])C1CC1 666835811 487341335 /nfs/dbraw/zinc/34/13/35/487341335.db2.gz HCOIMCIXGVIURX-JTQLQIEISA-N 2 0 199.342 0.701 20 0 ACADRP COCC(C)(C)C[NH2+][C@H](C)CC[NH3+] 666833219 487341488 /nfs/dbraw/zinc/34/14/88/487341488.db2.gz VEILSTDTJKIPBE-SECBINFHSA-N 2 0 188.315 0.986 20 0 ACADRP CC[NH2+][C@H](C)C[NH2+]CC1CC1 666877240 487344915 /nfs/dbraw/zinc/34/49/15/487344915.db2.gz NNWAJHYJXSUHRY-MRVPVSSYSA-N 2 0 156.273 0.984 20 0 ACADRP COC[C@]1(C[NH2+]CC2CC2)CCC[NH2+]1 666889897 487346112 /nfs/dbraw/zinc/34/61/12/487346112.db2.gz GBSHGQNSIORQFC-LLVKDONJSA-N 2 0 198.310 0.755 20 0 ACADRP COC[C@@]1(C[NH2+]CC2CC2)CCC[NH2+]1 666889898 487346790 /nfs/dbraw/zinc/34/67/90/487346790.db2.gz GBSHGQNSIORQFC-NSHDSACASA-N 2 0 198.310 0.755 20 0 ACADRP CC[C@H]([NH3+])CN[C@H](C)C[C@@H]1CCC[NH2+]1 666911690 487348978 /nfs/dbraw/zinc/34/89/78/487348978.db2.gz UQQLJWKCCGVLMC-VWYCJHECSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H]([NH3+])CNCC[NH2+]C(C)(C)C 666911682 487349005 /nfs/dbraw/zinc/34/90/05/487349005.db2.gz RIBUZJPSZPNNND-VIFPVBQESA-N 2 0 187.331 0.701 20 0 ACADRP CC[C@H]([NH3+])CN[C@@H](C)C[C@H]1CCC[NH2+]1 666911688 487349049 /nfs/dbraw/zinc/34/90/49/487349049.db2.gz UQQLJWKCCGVLMC-GARJFASQSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H]([NH3+])CN[C@H](C)C[C@H]1CCC[NH2+]1 666911689 487349100 /nfs/dbraw/zinc/34/91/00/487349100.db2.gz UQQLJWKCCGVLMC-OUAUKWLOSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@@H]([NH3+])CNCC[NH2+]C(C)(C)C 666911681 487349119 /nfs/dbraw/zinc/34/91/19/487349119.db2.gz RIBUZJPSZPNNND-SECBINFHSA-N 2 0 187.331 0.701 20 0 ACADRP CC[C@H]([NH3+])CN[C@@H](C)C[C@@H]1CCC[NH2+]1 666911687 487349192 /nfs/dbraw/zinc/34/91/92/487349192.db2.gz UQQLJWKCCGVLMC-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H]([NH3+])C[NH2+]CC(C)(C)COC 666911674 487349378 /nfs/dbraw/zinc/34/93/78/487349378.db2.gz MEDVGCKVOONSSU-VIFPVBQESA-N 2 0 188.315 0.986 20 0 ACADRP CC[C@@H]([NH3+])C[NH2+]CC(C)(C)COC 666911673 487349386 /nfs/dbraw/zinc/34/93/86/487349386.db2.gz MEDVGCKVOONSSU-SECBINFHSA-N 2 0 188.315 0.986 20 0 ACADRP C[C@@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941255 487349632 /nfs/dbraw/zinc/34/96/32/487349632.db2.gz WHKOZPSCGGAZRO-KGDYZURWSA-N 2 0 166.268 0.450 20 0 ACADRP CC(C)(C)[NH2+]CCN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941240 487349642 /nfs/dbraw/zinc/34/96/42/487349642.db2.gz RKTXNCXTEBEBOW-MYJAWHEDSA-N 2 0 197.326 0.182 20 0 ACADRP C[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 666941261 487349683 /nfs/dbraw/zinc/34/96/83/487349683.db2.gz WWRRQFMVZLHTPB-SNXWAXQRSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@H](CC1CC1)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940472 487349696 /nfs/dbraw/zinc/34/96/96/487349696.db2.gz YLHUPWLXGPULST-SNXWAXQRSA-N 2 0 180.295 0.982 20 0 ACADRP CC[C@H](C)C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940442 487349711 /nfs/dbraw/zinc/34/97/11/487349711.db2.gz QVJJFELPKKHFBJ-AXTSPUMRSA-N 2 0 168.284 0.840 20 0 ACADRP CC(C)C[C@H]([NH3+])CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941226 487349759 /nfs/dbraw/zinc/34/97/59/487349759.db2.gz ONOHBBIXOXXGCS-UKKRHICBSA-N 2 0 197.326 0.167 20 0 ACADRP CC[C@H](COC)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940437 487349800 /nfs/dbraw/zinc/34/98/00/487349800.db2.gz PAPLTDQOEURCJH-IMSYWVGJSA-N 2 0 184.283 0.219 20 0 ACADRP COC[C@H](C)C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940445 487349813 /nfs/dbraw/zinc/34/98/13/487349813.db2.gz RCZPVVIFFNZWCU-IMSYWVGJSA-N 2 0 184.283 0.076 20 0 ACADRP CC1(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 666940427 487349822 /nfs/dbraw/zinc/34/98/22/487349822.db2.gz JQKOKANIBDVIIN-BRPSZJMVSA-N 2 0 166.268 0.594 20 0 ACADRP CCOC[C@@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940454 487349877 /nfs/dbraw/zinc/34/98/77/487349877.db2.gz UVHWGPWQHGJZNZ-IMSYWVGJSA-N 2 0 184.283 0.219 20 0 ACADRP C[C@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939787 487349725 /nfs/dbraw/zinc/34/97/25/487349725.db2.gz SVDHWVPSJVXIIT-FBDQPXRJSA-N 2 0 180.295 0.982 20 0 ACADRP CC(C)C[C@@H]([NH3+])CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941227 487349890 /nfs/dbraw/zinc/34/98/90/487349890.db2.gz ONOHBBIXOXXGCS-ZNSHCXBVSA-N 2 0 197.326 0.167 20 0 ACADRP C[C@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939730 487349902 /nfs/dbraw/zinc/34/99/02/487349902.db2.gz FNMFWGBJCFLRCH-OGBGREFGSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@H]1CC[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939729 487349926 /nfs/dbraw/zinc/34/99/26/487349926.db2.gz FNMFWGBJCFLRCH-LADJIXMOSA-N 2 0 180.295 0.982 20 0 ACADRP CC(C)(C)C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939599 487349932 /nfs/dbraw/zinc/34/99/32/487349932.db2.gz USFBOLXEGMZYKF-BRPSZJMVSA-N 2 0 168.284 0.840 20 0 ACADRP C[C@@H](CC1CC1)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940471 487349979 /nfs/dbraw/zinc/34/99/79/487349979.db2.gz YLHUPWLXGPULST-CPOMMVLXSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939731 487350023 /nfs/dbraw/zinc/35/00/23/487350023.db2.gz FNMFWGBJCFLRCH-XXFSISAASA-N 2 0 180.295 0.982 20 0 ACADRP C1CSC[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939725 487350030 /nfs/dbraw/zinc/35/00/30/487350030.db2.gz FBACIHAZVJKABE-AXTSPUMRSA-N 2 0 198.335 0.689 20 0 ACADRP C[C@H]1C[C@H]1C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941256 487350057 /nfs/dbraw/zinc/35/00/57/487350057.db2.gz WHKOZPSCGGAZRO-RXKWGBCNSA-N 2 0 166.268 0.450 20 0 ACADRP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939792 487350064 /nfs/dbraw/zinc/35/00/64/487350064.db2.gz SVDHWVPSJVXIIT-UVOCVTCTSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939788 487350086 /nfs/dbraw/zinc/35/00/86/487350086.db2.gz SVDHWVPSJVXIIT-NZFPMDFQSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 666941260 487350093 /nfs/dbraw/zinc/35/00/93/487350093.db2.gz WWRRQFMVZLHTPB-CPOMMVLXSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941258 487350118 /nfs/dbraw/zinc/35/01/18/487350118.db2.gz WHKOZPSCGGAZRO-VFCFLDTKSA-N 2 0 166.268 0.450 20 0 ACADRP C[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939728 487350129 /nfs/dbraw/zinc/35/01/29/487350129.db2.gz FNMFWGBJCFLRCH-APLZJWDSSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@H]1C[C@@H]1C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941257 487350166 /nfs/dbraw/zinc/35/01/66/487350166.db2.gz WHKOZPSCGGAZRO-SQXHDICFSA-N 2 0 166.268 0.450 20 0 ACADRP C1CSC[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 666939727 487350179 /nfs/dbraw/zinc/35/01/79/487350179.db2.gz FBACIHAZVJKABE-IMSYWVGJSA-N 2 0 198.335 0.689 20 0 ACADRP CC[C@@H](C)C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940443 487350197 /nfs/dbraw/zinc/35/01/97/487350197.db2.gz QVJJFELPKKHFBJ-IMSYWVGJSA-N 2 0 168.284 0.840 20 0 ACADRP COCC(C)(C)C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666941247 487350223 /nfs/dbraw/zinc/35/02/23/487350223.db2.gz UINXTITYDNIGAK-MYJAWHEDSA-N 2 0 198.310 0.466 20 0 ACADRP C[C@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666939790 487350247 /nfs/dbraw/zinc/35/02/47/487350247.db2.gz SVDHWVPSJVXIIT-QUARPLMYSA-N 2 0 180.295 0.982 20 0 ACADRP COC[C@@H](C)C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940444 487350275 /nfs/dbraw/zinc/35/02/75/487350275.db2.gz RCZPVVIFFNZWCU-AXTSPUMRSA-N 2 0 184.283 0.076 20 0 ACADRP CCOC[C@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 666940453 487350304 /nfs/dbraw/zinc/35/03/04/487350304.db2.gz UVHWGPWQHGJZNZ-AXTSPUMRSA-N 2 0 184.283 0.219 20 0 ACADRP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[NH2+]CCCO1 666965410 487350913 /nfs/dbraw/zinc/35/09/13/487350913.db2.gz MWAGFWPMIDCPAH-OUAUKWLOSA-N 2 0 198.310 0.611 20 0 ACADRP CC1(C[NH2+]C[C@H]2C[NH2+]CCCO2)CC1 666965406 487350957 /nfs/dbraw/zinc/35/09/57/487350957.db2.gz LDZUVPUQVQGSET-SNVBAGLBSA-N 2 0 198.310 0.755 20 0 ACADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[NH2+]CCCO1 666965408 487350974 /nfs/dbraw/zinc/35/09/74/487350974.db2.gz MWAGFWPMIDCPAH-GMTAPVOTSA-N 2 0 198.310 0.611 20 0 ACADRP CC1(C[NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 666965405 487351093 /nfs/dbraw/zinc/35/10/93/487351093.db2.gz LDZUVPUQVQGSET-JTQLQIEISA-N 2 0 198.310 0.755 20 0 ACADRP CC(C)C[NH2+]C[C@@H]1C[NH2+]CCCO1 666965272 487351212 /nfs/dbraw/zinc/35/12/12/487351212.db2.gz DPGBCPPYNYWZFI-JTQLQIEISA-N 2 0 186.299 0.611 20 0 ACADRP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]CCCO1 666965409 487351293 /nfs/dbraw/zinc/35/12/93/487351293.db2.gz MWAGFWPMIDCPAH-MXWKQRLJSA-N 2 0 198.310 0.611 20 0 ACADRP CC(C)C[NH2+]C[C@H]1C[NH2+]CCCO1 666965273 487351309 /nfs/dbraw/zinc/35/13/09/487351309.db2.gz DPGBCPPYNYWZFI-SNVBAGLBSA-N 2 0 186.299 0.611 20 0 ACADRP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[NH2+]CCCO1 666965411 487351433 /nfs/dbraw/zinc/35/14/33/487351433.db2.gz MWAGFWPMIDCPAH-VWYCJHECSA-N 2 0 198.310 0.611 20 0 ACADRP C[C@@H]1CCN(CCC[NH3+])C[C@H]1C[NH3+] 667040143 487353030 /nfs/dbraw/zinc/35/30/30/487353030.db2.gz ZWNMGUAAPFTBIY-NXEZZACHSA-N 2 0 185.315 0.252 20 0 ACADRP CC[C@@H]([NH2+]CCC[NH3+])[C@@H]1CCCO1 667014738 487353040 /nfs/dbraw/zinc/35/30/40/487353040.db2.gz SCCLNSOUWXEVQW-ZJUUUORDSA-N 2 0 186.299 0.882 20 0 ACADRP CC[C@H]([NH2+]CCC[NH3+])[C@H]1CCCO1 667014737 487353055 /nfs/dbraw/zinc/35/30/55/487353055.db2.gz SCCLNSOUWXEVQW-VHSXEESVSA-N 2 0 186.299 0.882 20 0 ACADRP CC[C@H]([NH2+]CCC[NH3+])[C@@H]1CCCO1 667014736 487353117 /nfs/dbraw/zinc/35/31/17/487353117.db2.gz SCCLNSOUWXEVQW-UWVGGRQHSA-N 2 0 186.299 0.882 20 0 ACADRP CC[C@@H]([NH2+]CCC[NH3+])[C@H]1CCCO1 667014735 487353136 /nfs/dbraw/zinc/35/31/36/487353136.db2.gz SCCLNSOUWXEVQW-NXEZZACHSA-N 2 0 186.299 0.882 20 0 ACADRP CN(CC[NH3+])CC[NH2+]C(C)(C)C 667043897 487353334 /nfs/dbraw/zinc/35/33/34/487353334.db2.gz LERWNGVULODWLG-UHFFFAOYSA-N 2 0 173.304 0.265 20 0 ACADRP C[C@H]1CCN(CCC[NH3+])C[C@@H]1C[NH3+] 667040144 487353341 /nfs/dbraw/zinc/35/33/41/487353341.db2.gz ZWNMGUAAPFTBIY-UWVGGRQHSA-N 2 0 185.315 0.252 20 0 ACADRP CC[N@@H+]1CCCC[C@H]1CNCCC[NH3+] 667014734 487353404 /nfs/dbraw/zinc/35/34/04/487353404.db2.gz RVCUFPHPDLZKJC-NSHDSACASA-N 2 0 199.342 0.799 20 0 ACADRP CC[N@@H+]1CCCC[C@@H]1CNCCC[NH3+] 667014733 487353420 /nfs/dbraw/zinc/35/34/20/487353420.db2.gz RVCUFPHPDLZKJC-LLVKDONJSA-N 2 0 199.342 0.799 20 0 ACADRP C[C@H]1CCN(CCC[NH3+])C[C@H]1C[NH3+] 667040145 487353570 /nfs/dbraw/zinc/35/35/70/487353570.db2.gz ZWNMGUAAPFTBIY-VHSXEESVSA-N 2 0 185.315 0.252 20 0 ACADRP C[C@@H]1CCN(CCC[NH3+])C[C@@H]1C[NH3+] 667040146 487353630 /nfs/dbraw/zinc/35/36/30/487353630.db2.gz ZWNMGUAAPFTBIY-ZJUUUORDSA-N 2 0 185.315 0.252 20 0 ACADRP C[C@H]1[C@H](CO)CCC[N@@H+]1CCC[NH3+] 667060716 487354169 /nfs/dbraw/zinc/35/41/69/487354169.db2.gz GXVKLQZRCOCDHF-UWVGGRQHSA-N 2 0 186.299 0.428 20 0 ACADRP [NH3+]CCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 667048398 487354317 /nfs/dbraw/zinc/35/43/17/487354317.db2.gz LCBJKLMBFIAZSI-ZJUUUORDSA-N 2 0 184.283 0.446 20 0 ACADRP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCC[NH3+] 667060718 487354355 /nfs/dbraw/zinc/35/43/55/487354355.db2.gz GXVKLQZRCOCDHF-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H]1[C@@H](CO)CCC[N@@H+]1CCC[NH3+] 667060717 487354428 /nfs/dbraw/zinc/35/44/28/487354428.db2.gz GXVKLQZRCOCDHF-VHSXEESVSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCC[NH3+] 667060715 487354443 /nfs/dbraw/zinc/35/44/43/487354443.db2.gz GXVKLQZRCOCDHF-NXEZZACHSA-N 2 0 186.299 0.428 20 0 ACADRP C[NH+](C)CCCNC(=[NH2+])N1CCC1 848980338 582481354 /nfs/dbraw/zinc/48/13/54/582481354.db2.gz ATAKYSRVMYACSC-UHFFFAOYSA-N 2 0 184.287 0.168 20 0 ACADRP CC(C)[NH2+]CCOCC[NH+](C)C 51863092 582490067 /nfs/dbraw/zinc/49/00/67/582490067.db2.gz FMGNGSDEXWZMIB-UHFFFAOYSA-N 2 0 174.288 0.563 20 0 ACADRP COC[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405277940 582491045 /nfs/dbraw/zinc/49/10/45/582491045.db2.gz AENMCEJMIZLOGG-XHNCKOQMSA-N 2 0 186.299 0.737 20 0 ACADRP COC[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405277939 582490964 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OGNYAZFMPVKAQY-SECBINFHSA-N 2 0 186.299 0.692 20 0 ACADRP C[NH+](C)C[C@H]1CCCC[NH2+]C1 211412151 582514337 /nfs/dbraw/zinc/51/43/37/582514337.db2.gz KRIXNFYRDJRDFD-VIFPVBQESA-N 2 0 156.273 0.938 20 0 ACADRP C[NH+](C)C[C@@H]1CCCC[NH2+]C1 211412087 582514529 /nfs/dbraw/zinc/51/45/29/582514529.db2.gz KRIXNFYRDJRDFD-SECBINFHSA-N 2 0 156.273 0.938 20 0 ACADRP C[NH+]1CCC(C[NH2+][C@H]2C[C@@H](O)C2)CC1 894778123 582517994 /nfs/dbraw/zinc/51/79/94/582517994.db2.gz NKGWIBDMVLLXPN-PHIMTYICSA-N 2 0 198.310 0.441 20 0 ACADRP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 306498296 582519662 /nfs/dbraw/zinc/51/96/62/582519662.db2.gz UAQJMOWZRGASMF-GMTAPVOTSA-N 2 0 198.310 0.632 20 0 ACADRP CC(C)C[C@@H]1CC[NH2+]C[C@@H]1[NH3+] 213737390 582525854 /nfs/dbraw/zinc/52/58/54/582525854.db2.gz TZFSBOROWKSAEP-IUCAKERBSA-N 2 0 156.273 0.969 20 0 ACADRP CC(C)C[C@H]1CC[NH2+]C[C@H]1[NH3+] 213737574 582525958 /nfs/dbraw/zinc/52/59/58/582525958.db2.gz TZFSBOROWKSAEP-RKDXNWHRSA-N 2 0 156.273 0.969 20 0 ACADRP CC(C)C[C@@H]1CC[NH2+]C[C@H]1[NH3+] 213737507 582526018 /nfs/dbraw/zinc/52/60/18/582526018.db2.gz TZFSBOROWKSAEP-DTWKUNHWSA-N 2 0 156.273 0.969 20 0 ACADRP CC(C)C[C@H]1CC[NH2+]C[C@@H]1[NH3+] 213737448 582526193 /nfs/dbraw/zinc/52/61/93/582526193.db2.gz TZFSBOROWKSAEP-BDAKNGLRSA-N 2 0 156.273 0.969 20 0 ACADRP C[C@@H](CCO)[NH2+]CC[C@H](C)[NH+](C)C 895427696 582527926 /nfs/dbraw/zinc/52/79/26/582527926.db2.gz DKIBHTSJKBJDHK-UWVGGRQHSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@@H](CCO)[NH2+]CC[C@@H](C)[NH+](C)C 895427697 582528155 /nfs/dbraw/zinc/52/81/55/582528155.db2.gz DKIBHTSJKBJDHK-VHSXEESVSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@H](CCO)[NH2+]CC[C@@H](C)[NH+](C)C 895427695 582528179 /nfs/dbraw/zinc/52/81/79/582528179.db2.gz DKIBHTSJKBJDHK-NXEZZACHSA-N 2 0 188.315 0.687 20 0 ACADRP C[C@@H](CC[NH2+][C@H](C)CCO)[NH+](C)C 895427698 582528208 /nfs/dbraw/zinc/52/82/08/582528208.db2.gz DKIBHTSJKBJDHK-ZJUUUORDSA-N 2 0 188.315 0.687 20 0 ACADRP C[NH+]1CCC(C[NH2+]C2(C)COC2)CC1 895758902 582530223 /nfs/dbraw/zinc/53/02/23/582530223.db2.gz OZDLJHHGUDWERR-UHFFFAOYSA-N 2 0 198.310 0.707 20 0 ACADRP [NH3+]CCCCCC[NH2+]C1CC[NH2+]CC1 143227808 582536580 /nfs/dbraw/zinc/53/65/80/582536580.db2.gz AILYLMWTPZWVLE-UHFFFAOYSA-N 3 0 199.342 0.847 20 0 ACADRP C[C@H]([NH3+])CC[NH2+]CCCC[NH3+] 6020617 582539898 /nfs/dbraw/zinc/53/98/98/582539898.db2.gz PZSFTBARUSGJTA-QMMMGPOBSA-N 3 0 159.277 0.052 20 0 ACADRP COC[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 238383442 582551710 /nfs/dbraw/zinc/55/17/10/582551710.db2.gz ITZCZPICCKWISU-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP CCO[C@@H]1CCC[N@H+](CCC[NH3+])C1 42420675 582559199 /nfs/dbraw/zinc/55/91/99/582559199.db2.gz OBRHLBSKYLJOSY-SNVBAGLBSA-N 2 0 186.299 0.836 20 0 ACADRP CCO[C@H]1CCC[N@H+](CCC[NH3+])C1 42420676 582559377 /nfs/dbraw/zinc/55/93/77/582559377.db2.gz OBRHLBSKYLJOSY-JTQLQIEISA-N 2 0 186.299 0.836 20 0 ACADRP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@@H]1CCCO1 902405640 582598901 /nfs/dbraw/zinc/59/89/01/582598901.db2.gz JPNDUNZMXCBIKW-BDAKNGLRSA-N 2 0 184.283 0.635 20 0 ACADRP C[C@H]([NH2+]CC1([NH3+])CC1)[C@H]1CCCO1 902405641 582599239 /nfs/dbraw/zinc/59/92/39/582599239.db2.gz JPNDUNZMXCBIKW-DTWKUNHWSA-N 2 0 184.283 0.635 20 0 ACADRP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@H]1CCCO1 902405643 582599264 /nfs/dbraw/zinc/59/92/64/582599264.db2.gz JPNDUNZMXCBIKW-RKDXNWHRSA-N 2 0 184.283 0.635 20 0 ACADRP CCOC[C@H](C)[NH2+]CC1([NH3+])CC1 902417518 582604025 /nfs/dbraw/zinc/60/40/25/582604025.db2.gz RVKQZVVLUZOTFE-QMMMGPOBSA-N 2 0 172.272 0.492 20 0 ACADRP C[C@H]([NH2+]CC1([NH3+])CC1)[C@@H]1CCCO1 902405642 582599683 /nfs/dbraw/zinc/59/96/83/582599683.db2.gz JPNDUNZMXCBIKW-IUCAKERBSA-N 2 0 184.283 0.635 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1NCC1([NH3+])CC1 902407565 582599865 /nfs/dbraw/zinc/59/98/65/582599865.db2.gz QSRNOIQVISOJIT-IUCAKERBSA-N 2 0 183.299 0.195 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@@H]1NCC1([NH3+])CC1 902408122 582599873 /nfs/dbraw/zinc/59/98/73/582599873.db2.gz XAWGQQDTSUNLFX-UWVGGRQHSA-N 2 0 197.326 0.585 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@H]1NCC1([NH3+])CC1 902408124 582599935 /nfs/dbraw/zinc/59/99/35/582599935.db2.gz XAWGQQDTSUNLFX-VHSXEESVSA-N 2 0 197.326 0.585 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H](NCC2([NH3+])CC2)C1 902409162 582599966 /nfs/dbraw/zinc/59/99/66/582599966.db2.gz HSCQNMWNPSTDQG-RKDXNWHRSA-N 2 0 183.299 0.337 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@@H]1NCC1([NH3+])CC1 902410737 582599972 /nfs/dbraw/zinc/59/99/72/582599972.db2.gz ULBYHRDRTQZEGF-IUCAKERBSA-N 2 0 183.299 0.208 20 0 ACADRP CC1(C)[NH2+]CC[C@@H]1NCC1([NH3+])CC1 902409695 582599981 /nfs/dbraw/zinc/59/99/81/582599981.db2.gz MHCFZZJTXIARCU-QMMMGPOBSA-N 2 0 183.299 0.208 20 0 ACADRP [NH3+]C[C@H]1CCC[C@@H]1NCC1([NH3+])CC1 902407563 582600036 /nfs/dbraw/zinc/60/00/36/582600036.db2.gz QSRNOIQVISOJIT-BDAKNGLRSA-N 2 0 183.299 0.195 20 0 ACADRP [NH3+]C1(CN[C@H]2CCC[NH2+]CC2)CC1 902407052 582600143 /nfs/dbraw/zinc/60/01/43/582600143.db2.gz ONMPFFYKQNWUBI-VIFPVBQESA-N 2 0 183.299 0.209 20 0 ACADRP C[C@H]1[NH2+]CCC[C@H]1NCC1([NH3+])CC1 902410738 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0.882 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]CC1(N)CC1 902408663 582600559 /nfs/dbraw/zinc/60/05/59/582600559.db2.gz DBGDXDHUXGIXLS-VIFPVBQESA-N 2 0 185.315 0.585 20 0 ACADRP [NH3+][C@H]1CCC[C@H](NCC2([NH3+])CC2)C1 902409161 582600564 /nfs/dbraw/zinc/60/05/64/582600564.db2.gz HSCQNMWNPSTDQG-IUCAKERBSA-N 2 0 183.299 0.337 20 0 ACADRP C[C@@H]1O[C@H](C)C[C@H]1[NH2+]CC1([NH3+])CC1 902408518 582600572 /nfs/dbraw/zinc/60/05/72/582600572.db2.gz YQXOKDWAISGNLB-HRDYMLBCSA-N 2 0 184.283 0.633 20 0 ACADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1([NH3+])CC1 902406108 582600604 /nfs/dbraw/zinc/60/06/04/582600604.db2.gz LOYVWZHEKFLCDE-BDAKNGLRSA-N 2 0 184.283 0.492 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCC1([NH3+])CC1 902407808 582600648 /nfs/dbraw/zinc/60/06/48/582600648.db2.gz VFJPQVLBIVZRKA-SFYZADRCSA-N 2 0 171.288 0.193 20 0 ACADRP [NH3+]C[C@H]1CCCC[C@H]1NCC1([NH3+])CC1 902408121 582600671 /nfs/dbraw/zinc/60/06/71/582600671.db2.gz XAWGQQDTSUNLFX-NXEZZACHSA-N 2 0 197.326 0.585 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH3+])CC1 902407752 582600755 /nfs/dbraw/zinc/60/07/55/582600755.db2.gz SZCSSYUKEVYNQW-NXEZZACHSA-N 2 0 197.326 0.727 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)NCC1([NH3+])CC1 902407807 582600811 /nfs/dbraw/zinc/60/08/11/582600811.db2.gz VFJPQVLBIVZRKA-JGVFFNPUSA-N 2 0 171.288 0.193 20 0 ACADRP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]CC1([NH3+])CC1 902408520 582600816 /nfs/dbraw/zinc/60/08/16/582600816.db2.gz YQXOKDWAISGNLB-VGMNWLOBSA-N 2 0 184.283 0.633 20 0 ACADRP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@H]1CCCOC1 902412483 582600822 /nfs/dbraw/zinc/60/08/22/582600822.db2.gz AOFKRPSVMDQYDA-ZJUUUORDSA-N 2 0 198.310 0.882 20 0 ACADRP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH3+])CC1 902407754 582600831 /nfs/dbraw/zinc/60/08/31/582600831.db2.gz SZCSSYUKEVYNQW-VHSXEESVSA-N 2 0 197.326 0.727 20 0 ACADRP C[C@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CC1 902405564 582603308 /nfs/dbraw/zinc/60/33/08/582603308.db2.gz IWICYNRMTHSJSI-VHSXEESVSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@@H](NCC1([NH3+])CC1)[C@H]1CCC[NH2+]1 902404926 582603342 /nfs/dbraw/zinc/60/33/42/582603342.db2.gz HBHPKYMCZSPPIC-RKDXNWHRSA-N 2 0 183.299 0.208 20 0 ACADRP CC[NH+]1CCC(NCC2([NH3+])CC2)CC1 902417292 582603379 /nfs/dbraw/zinc/60/33/79/582603379.db2.gz YAGRUXWNAJTQDS-UHFFFAOYSA-N 2 0 197.326 0.552 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CC1 902405565 582603397 /nfs/dbraw/zinc/60/33/97/582603397.db2.gz IWICYNRMTHSJSI-ZJUUUORDSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@H](NCC1([NH3+])CC1)[C@@H]1CCC[NH2+]1 902404924 582603413 /nfs/dbraw/zinc/60/34/13/582603413.db2.gz HBHPKYMCZSPPIC-IUCAKERBSA-N 2 0 183.299 0.208 20 0 ACADRP C[C@@H](NCC1([NH3+])CC1)[C@@H]1CCC[NH2+]1 902404920 582603519 /nfs/dbraw/zinc/60/35/19/582603519.db2.gz HBHPKYMCZSPPIC-BDAKNGLRSA-N 2 0 183.299 0.208 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@H]1NCC1([NH3+])CC1 902405560 582603602 /nfs/dbraw/zinc/60/36/02/582603602.db2.gz IWICYNRMTHSJSI-NXEZZACHSA-N 2 0 197.326 0.455 20 0 ACADRP NOCCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 902416146 582603622 /nfs/dbraw/zinc/60/36/22/582603622.db2.gz SSZYCVRDOKUEPA-DTWKUNHWSA-N 2 0 187.287 0.126 20 0 ACADRP C[C@H](NCC1([NH3+])CC1)[C@H]1CCC[NH2+]1 902404923 582603739 /nfs/dbraw/zinc/60/37/39/582603739.db2.gz HBHPKYMCZSPPIC-DTWKUNHWSA-N 2 0 183.299 0.208 20 0 ACADRP C[C@H]([NH2+]CC1([NH3+])CC1)C1CCOCC1 902416367 582603752 /nfs/dbraw/zinc/60/37/52/582603752.db2.gz NHQVFQNVPCYBLD-VIFPVBQESA-N 2 0 198.310 0.882 20 0 ACADRP C[C@@H]([NH2+]CC1([NH3+])CC1)C1CCOCC1 902416365 582603782 /nfs/dbraw/zinc/60/37/82/582603782.db2.gz NHQVFQNVPCYBLD-SECBINFHSA-N 2 0 198.310 0.882 20 0 ACADRP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CC1 902404267 582603789 /nfs/dbraw/zinc/60/37/89/582603789.db2.gz DFAYEEGYMHXFLX-DTWKUNHWSA-N 2 0 183.299 0.065 20 0 ACADRP CCOC[C@@H](C)[NH2+]CC1([NH3+])CC1 902417517 582603799 /nfs/dbraw/zinc/60/37/99/582603799.db2.gz RVKQZVVLUZOTFE-MRVPVSSYSA-N 2 0 172.272 0.492 20 0 ACADRP C[C@@H](NCC1([NH3+])CC1)[C@@H]1CCCC[NH2+]1 902404881 582603817 /nfs/dbraw/zinc/60/38/17/582603817.db2.gz GNOAOGVDZMMSKA-ZJUUUORDSA-N 2 0 197.326 0.598 20 0 ACADRP CC[C@@H](COC)[NH2+]CC1([NH3+])CC1 902417586 582603847 /nfs/dbraw/zinc/60/38/47/582603847.db2.gz UEGMTXNJAOJEKG-QMMMGPOBSA-N 2 0 172.272 0.492 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CC1 902404265 582603855 /nfs/dbraw/zinc/60/38/55/582603855.db2.gz DFAYEEGYMHXFLX-BDAKNGLRSA-N 2 0 183.299 0.065 20 0 ACADRP C[C@@H](NCC1([NH3+])CC1)[C@H]1CCCC[NH2+]1 902404877 582603860 /nfs/dbraw/zinc/60/38/60/582603860.db2.gz GNOAOGVDZMMSKA-NXEZZACHSA-N 2 0 197.326 0.598 20 0 ACADRP NOCCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 902416148 582603886 /nfs/dbraw/zinc/60/38/86/582603886.db2.gz SSZYCVRDOKUEPA-RKDXNWHRSA-N 2 0 187.287 0.126 20 0 ACADRP NOCCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 902416147 582603911 /nfs/dbraw/zinc/60/39/11/582603911.db2.gz SSZYCVRDOKUEPA-IUCAKERBSA-N 2 0 187.287 0.126 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CC1 902404274 582603932 /nfs/dbraw/zinc/60/39/32/582603932.db2.gz DFAYEEGYMHXFLX-RKDXNWHRSA-N 2 0 183.299 0.065 20 0 ACADRP C[C@H]1CC[NH2+]CC[C@@H]1NCC1([NH3+])CC1 902405562 582603942 /nfs/dbraw/zinc/60/39/42/582603942.db2.gz IWICYNRMTHSJSI-UWVGGRQHSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CC1 902404271 582603947 /nfs/dbraw/zinc/60/39/47/582603947.db2.gz DFAYEEGYMHXFLX-IUCAKERBSA-N 2 0 183.299 0.065 20 0 ACADRP NOCCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 902416145 582603994 /nfs/dbraw/zinc/60/39/94/582603994.db2.gz SSZYCVRDOKUEPA-BDAKNGLRSA-N 2 0 187.287 0.126 20 0 ACADRP CC[C@H](COC)[NH2+]CC1([NH3+])CC1 902417585 582604004 /nfs/dbraw/zinc/60/40/04/582604004.db2.gz UEGMTXNJAOJEKG-MRVPVSSYSA-N 2 0 172.272 0.492 20 0 ACADRP C[C@H](NCC1([NH3+])CC1)[C@@H]1CCCC[NH2+]1 902404878 582604036 /nfs/dbraw/zinc/60/40/36/582604036.db2.gz GNOAOGVDZMMSKA-UWVGGRQHSA-N 2 0 197.326 0.598 20 0 ACADRP C[C@H](NCC1([NH3+])CC1)[C@H]1CCCC[NH2+]1 902404879 582604041 /nfs/dbraw/zinc/60/40/41/582604041.db2.gz GNOAOGVDZMMSKA-VHSXEESVSA-N 2 0 197.326 0.598 20 0 ACADRP CC[C@@H]([NH2+]CC1([NH3+])CC1)[C@H]1CCOC1 902413461 582604926 /nfs/dbraw/zinc/60/49/26/582604926.db2.gz LVQZHAFWDIWNJA-VHSXEESVSA-N 2 0 198.310 0.882 20 0 ACADRP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)CCO1 902413331 582604981 /nfs/dbraw/zinc/60/49/81/582604981.db2.gz KKGAAKUFUXRCCO-BDAKNGLRSA-N 2 0 184.283 0.635 20 0 ACADRP CC[C@@H]([NH2+]CC1([NH3+])CC1)[C@@H]1CCOC1 902413459 582605023 /nfs/dbraw/zinc/60/50/23/582605023.db2.gz LVQZHAFWDIWNJA-NXEZZACHSA-N 2 0 198.310 0.882 20 0 ACADRP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CC2)CCO1 902413334 582605094 /nfs/dbraw/zinc/60/50/94/582605094.db2.gz KKGAAKUFUXRCCO-IUCAKERBSA-N 2 0 184.283 0.635 20 0 ACADRP C[C@H]1OCC[C@H]1[NH2+]CC1([NH3+])CC1 902413987 582605270 /nfs/dbraw/zinc/60/52/70/582605270.db2.gz QSFFXANOPMYTJL-HTQZYQBOSA-N 2 0 170.256 0.245 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]CCCON 902414437 582605282 /nfs/dbraw/zinc/60/52/82/582605282.db2.gz AJRVVFSQXKNJPV-VIFPVBQESA-N 2 0 189.303 0.374 20 0 ACADRP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CC2)CCO1 902413332 582605284 /nfs/dbraw/zinc/60/52/84/582605284.db2.gz KKGAAKUFUXRCCO-DTWKUNHWSA-N 2 0 184.283 0.635 20 0 ACADRP C[C@@H]1OCC[C@@H]1[NH2+]CC1([NH3+])CC1 902413992 582605289 /nfs/dbraw/zinc/60/52/89/582605289.db2.gz QSFFXANOPMYTJL-YUMQZZPRSA-N 2 0 170.256 0.245 20 0 ACADRP CO[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902415117 582605309 /nfs/dbraw/zinc/60/53/09/582605309.db2.gz BDEGBPNVHKBWAO-HTQZYQBOSA-N 2 0 172.272 0.491 20 0 ACADRP CC[C@H]([NH2+]CC1([NH3+])CC1)[C@@H]1CCOC1 902413462 582605479 /nfs/dbraw/zinc/60/54/79/582605479.db2.gz LVQZHAFWDIWNJA-ZJUUUORDSA-N 2 0 198.310 0.882 20 0 ACADRP C[C@@H]1OCC[C@H]1[NH2+]CC1([NH3+])CC1 902413989 582605485 /nfs/dbraw/zinc/60/54/85/582605485.db2.gz QSFFXANOPMYTJL-JGVFFNPUSA-N 2 0 170.256 0.245 20 0 ACADRP COC[C@H]([NH2+]CC1([NH3+])CC1)C(C)C 902414288 582605492 /nfs/dbraw/zinc/60/54/92/582605492.db2.gz VRMKPORNRCPFGL-VIFPVBQESA-N 2 0 186.299 0.738 20 0 ACADRP COC[C@@H]([NH2+]CC1([NH3+])CC1)C(C)C 902414287 582605514 /nfs/dbraw/zinc/60/55/14/582605514.db2.gz VRMKPORNRCPFGL-SECBINFHSA-N 2 0 186.299 0.738 20 0 ACADRP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CC2)CCO1 902413335 582605538 /nfs/dbraw/zinc/60/55/38/582605538.db2.gz KKGAAKUFUXRCCO-RKDXNWHRSA-N 2 0 184.283 0.635 20 0 ACADRP C[C@H]1OCC[C@@H]1[NH2+]CC1([NH3+])CC1 902413991 582605546 /nfs/dbraw/zinc/60/55/46/582605546.db2.gz QSFFXANOPMYTJL-SFYZADRCSA-N 2 0 170.256 0.245 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+]CCCON 902414436 582605549 /nfs/dbraw/zinc/60/55/49/582605549.db2.gz AJRVVFSQXKNJPV-SECBINFHSA-N 2 0 189.303 0.374 20 0 ACADRP NOCCC[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 902414938 582605686 /nfs/dbraw/zinc/60/56/86/582605686.db2.gz HJKMLCFZCNGJQR-ULKQDVFKSA-N 2 0 199.298 0.139 20 0 ACADRP NOCCC[NH2+]C1CCC([NH3+])CC1 902414847 582605693 /nfs/dbraw/zinc/60/56/93/582605693.db2.gz DRXMROKOACWJLB-UHFFFAOYSA-N 2 0 187.287 0.126 20 0 ACADRP CC[C@H]([NH2+]CC1([NH3+])CC1)[C@H]1CCOC1 902413460 582605746 /nfs/dbraw/zinc/60/57/46/582605746.db2.gz LVQZHAFWDIWNJA-UWVGGRQHSA-N 2 0 198.310 0.882 20 0 ACADRP [NH3+]C1(C[NH2+]C2CCSCC2)CC1 902415174 582606078 /nfs/dbraw/zinc/60/60/78/582606078.db2.gz CEFHUDLDNQFFOQ-UHFFFAOYSA-N 2 0 186.324 0.963 20 0 ACADRP CO[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902415119 582606121 /nfs/dbraw/zinc/60/61/21/582606121.db2.gz BDEGBPNVHKBWAO-SFYZADRCSA-N 2 0 172.272 0.491 20 0 ACADRP C[C@H]1C[C@@H](NCC2([NH3+])CC2)CC[N@@H+]1C 902415149 582606332 /nfs/dbraw/zinc/60/63/32/582606332.db2.gz BUTSUAAUISXWCH-UWVGGRQHSA-N 2 0 197.326 0.550 20 0 ACADRP C[C@H]1C[C@H](NCC2([NH3+])CC2)CC[N@@H+]1C 902415150 582606364 /nfs/dbraw/zinc/60/63/64/582606364.db2.gz BUTSUAAUISXWCH-VHSXEESVSA-N 2 0 197.326 0.550 20 0 ACADRP CO[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CC1 902415120 582606458 /nfs/dbraw/zinc/60/64/58/582606458.db2.gz BDEGBPNVHKBWAO-YUMQZZPRSA-N 2 0 172.272 0.491 20 0 ACADRP CO[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CC1 902415118 582606486 /nfs/dbraw/zinc/60/64/86/582606486.db2.gz BDEGBPNVHKBWAO-JGVFFNPUSA-N 2 0 172.272 0.491 20 0 ACADRP C[C@@H]1C[C@H](NCC2([NH3+])CC2)CC[N@@H+]1C 902415148 582606594 /nfs/dbraw/zinc/60/65/94/582606594.db2.gz BUTSUAAUISXWCH-NXEZZACHSA-N 2 0 197.326 0.550 20 0 ACADRP C[C@@H]1C[C@@H](NCC2([NH3+])CC2)CC[N@@H+]1C 902415151 582606863 /nfs/dbraw/zinc/60/68/63/582606863.db2.gz BUTSUAAUISXWCH-ZJUUUORDSA-N 2 0 197.326 0.550 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 902505418 582608370 /nfs/dbraw/zinc/60/83/70/582608370.db2.gz SAEUSUIRQXKOLQ-VWYCJHECSA-N 2 0 198.310 0.617 20 0 ACADRP C[C@H]([NH2+]CC[C@@H](O)C1CC1)C1C[NH2+]C1 902505108 582608227 /nfs/dbraw/zinc/60/82/27/582608227.db2.gz QLRARCHIARSBRE-GZMMTYOYSA-N 2 0 198.310 0.345 20 0 ACADRP C[C@H]([NH2+]CC[C@H](O)C1CC1)C1C[NH2+]C1 902505110 582608267 /nfs/dbraw/zinc/60/82/67/582608267.db2.gz QLRARCHIARSBRE-KWQFWETISA-N 2 0 198.310 0.345 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 902505414 582608338 /nfs/dbraw/zinc/60/83/38/582608338.db2.gz SAEUSUIRQXKOLQ-GMTAPVOTSA-N 2 0 198.310 0.617 20 0 ACADRP C[C@@H]([NH2+]CC[C@H](O)C1CC1)C1C[NH2+]C1 902505109 582608492 /nfs/dbraw/zinc/60/84/92/582608492.db2.gz QLRARCHIARSBRE-KCJUWKMLSA-N 2 0 198.310 0.345 20 0 ACADRP C[C@@H]([NH2+]CC[C@@H](O)C1CC1)C1C[NH2+]C1 902505111 582608585 /nfs/dbraw/zinc/60/85/85/582608585.db2.gz QLRARCHIARSBRE-LDYMZIIASA-N 2 0 198.310 0.345 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 902505417 582608656 /nfs/dbraw/zinc/60/86/56/582608656.db2.gz SAEUSUIRQXKOLQ-OUAUKWLOSA-N 2 0 198.310 0.617 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C1CC1 902505416 582608691 /nfs/dbraw/zinc/60/86/91/582608691.db2.gz SAEUSUIRQXKOLQ-MXWKQRLJSA-N 2 0 198.310 0.617 20 0 ACADRP C[NH2+]C[C@H]1CCCN1C[C@H]1CCC[NH2+]1 903424703 582624462 /nfs/dbraw/zinc/62/44/62/582624462.db2.gz CEBZRCIEXKLNLS-GHMZBOCLSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] 903425236 582623651 /nfs/dbraw/zinc/62/36/51/582623651.db2.gz XYXGWUHTNJFDMC-GMTAPVOTSA-N 2 0 197.326 0.408 20 0 ACADRP [NH3+]CC1CCN(C[C@H]2CCC[NH2+]2)CC1 903422316 582623786 /nfs/dbraw/zinc/62/37/86/582623786.db2.gz XYWNPQXUMRCSRA-LLVKDONJSA-N 2 0 197.326 0.409 20 0 ACADRP C[C@@](C[NH3+])(NC[C@H]1CCC[NH2+]1)C1CC1 903427299 582623812 /nfs/dbraw/zinc/62/38/12/582623812.db2.gz VXMCRQTVNBEGFC-MNOVXSKESA-N 2 0 197.326 0.455 20 0 ACADRP [NH3+]C[C@@H]1CCCCN1C[C@H]1CCC[NH2+]1 903421025 582623359 /nfs/dbraw/zinc/62/33/59/582623359.db2.gz JRDWJNDXRHFIBC-MNOVXSKESA-N 2 0 197.326 0.552 20 0 ACADRP [NH3+]C[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 903421277 582623371 /nfs/dbraw/zinc/62/33/71/582623371.db2.gz KBJCXGRWRDDMOA-WDEREUQCSA-N 2 0 197.326 0.409 20 0 ACADRP C[NH2+][C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903420532 582623423 /nfs/dbraw/zinc/62/34/23/582623423.db2.gz ASNQIVVFSNAHJS-VHSXEESVSA-N 2 0 183.299 0.032 20 0 ACADRP C[C@](C[NH3+])(NC[C@H]1CCC[NH2+]1)C1CC1 903427286 582623428 /nfs/dbraw/zinc/62/34/28/582623428.db2.gz VXMCRQTVNBEGFC-GHMZBOCLSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1[NH3+] 903425237 582623591 /nfs/dbraw/zinc/62/35/91/582623591.db2.gz XYXGWUHTNJFDMC-HBNTYKKESA-N 2 0 197.326 0.408 20 0 ACADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] 903425238 582623630 /nfs/dbraw/zinc/62/36/30/582623630.db2.gz XYXGWUHTNJFDMC-MXWKQRLJSA-N 2 0 197.326 0.408 20 0 ACADRP C[NH2+][C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903420531 582623638 /nfs/dbraw/zinc/62/36/38/582623638.db2.gz ASNQIVVFSNAHJS-NXEZZACHSA-N 2 0 183.299 0.032 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)C1CC[NH2+]CC1 903421989 582623701 /nfs/dbraw/zinc/62/37/01/582623701.db2.gz SHQRJNDMFSCTSN-SNVBAGLBSA-N 2 0 197.326 0.422 20 0 ACADRP [NH3+][C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 903421608 582623725 /nfs/dbraw/zinc/62/37/25/582623725.db2.gz PKRLSTVSAIQWOU-VHSXEESVSA-N 2 0 183.299 0.162 20 0 ACADRP C[C@@](C[NH3+])([NH2+]CCOC1CC1)C1CC1 903427172 582623747 /nfs/dbraw/zinc/62/37/47/582623747.db2.gz UJIXVBPJBGGHFA-NSHDSACASA-N 2 0 198.310 0.882 20 0 ACADRP [NH3+]C[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 903421040 582623775 /nfs/dbraw/zinc/62/37/75/582623775.db2.gz KBJCXGRWRDDMOA-GHMZBOCLSA-N 2 0 197.326 0.409 20 0 ACADRP CC(C)[C@](C)(C[NH3+])NC[C@H]1CCC[NH2+]1 903426866 582623841 /nfs/dbraw/zinc/62/38/41/582623841.db2.gz QTOIGVFHMRAWGE-MNOVXSKESA-N 2 0 199.342 0.701 20 0 ACADRP [NH3+]C[C@H]1CCCCN1C[C@H]1CCC[NH2+]1 903421023 582623860 /nfs/dbraw/zinc/62/38/60/582623860.db2.gz JRDWJNDXRHFIBC-GHMZBOCLSA-N 2 0 197.326 0.552 20 0 ACADRP CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCC[NH2+]1 903426865 582623863 /nfs/dbraw/zinc/62/38/63/582623863.db2.gz QTOIGVFHMRAWGE-GHMZBOCLSA-N 2 0 199.342 0.701 20 0 ACADRP C[C@](C[NH3+])([NH2+]CCOC1CC1)C1CC1 903427169 582623950 /nfs/dbraw/zinc/62/39/50/582623950.db2.gz UJIXVBPJBGGHFA-LLVKDONJSA-N 2 0 198.310 0.882 20 0 ACADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@@H]1[NH3+] 903425235 582624014 /nfs/dbraw/zinc/62/40/14/582624014.db2.gz XYXGWUHTNJFDMC-AXFHLTTASA-N 2 0 197.326 0.408 20 0 ACADRP [NH3+]C1CCN(C[C@H]2CCC[NH2+]2)CC1 903421601 582624077 /nfs/dbraw/zinc/62/40/77/582624077.db2.gz PKQKRNIHQPZIFI-SNVBAGLBSA-N 2 0 183.299 0.162 20 0 ACADRP [NH3+][C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 903421606 582624083 /nfs/dbraw/zinc/62/40/83/582624083.db2.gz PKRLSTVSAIQWOU-NXEZZACHSA-N 2 0 183.299 0.162 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)C1(C[NH3+])CCC1 903453642 582624235 /nfs/dbraw/zinc/62/42/35/582624235.db2.gz GMJKOPDBDUYCNB-SNVBAGLBSA-N 2 0 197.326 0.552 20 0 ACADRP C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCC[NH2+]1 903461611 582624247 /nfs/dbraw/zinc/62/42/47/582624247.db2.gz VWQDRBAXGKFNND-GMTAPVOTSA-N 2 0 197.326 0.550 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](O)C1 903460642 582624252 /nfs/dbraw/zinc/62/42/52/582624252.db2.gz GMZTZVKIMGVUFM-OUAUKWLOSA-N 2 0 198.310 0.299 20 0 ACADRP CN(CCC[NH3+])C[C@H]1CCC[NH2+]1 903424860 582624261 /nfs/dbraw/zinc/62/42/61/582624261.db2.gz JKPYXPWANZEEPU-SECBINFHSA-N 2 0 171.288 0.019 20 0 ACADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)[C@@H](C)C[NH2+]1 903453744 582624285 /nfs/dbraw/zinc/62/42/85/582624285.db2.gz KIVBBYFCFZLFDH-GARJFASQSA-N 2 0 197.326 0.421 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)[C@H]1CC[NH2+]C1 903423331 582624318 /nfs/dbraw/zinc/62/43/18/582624318.db2.gz SJLOELPDSRRLPH-ZJUUUORDSA-N 2 0 183.299 0.032 20 0 ACADRP C[NH2+]C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903423600 582624329 /nfs/dbraw/zinc/62/43/29/582624329.db2.gz YNGQKIDWOSOYTN-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@H](C[NH3+])N(C)C[C@H]1CCC[NH2+]1 903424960 582624332 /nfs/dbraw/zinc/62/43/32/582624332.db2.gz NKEIHDQRBJOCAV-RKDXNWHRSA-N 2 0 171.288 0.017 20 0 ACADRP [NH3+]C[C@H]1CCCN1C[C@H]1CCC[NH2+]1 903425050 582624337 /nfs/dbraw/zinc/62/43/37/582624337.db2.gz PUIUAHFGYUWDCN-NXEZZACHSA-N 2 0 183.299 0.162 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@H](O)C1 903460643 582624340 /nfs/dbraw/zinc/62/43/40/582624340.db2.gz GMZTZVKIMGVUFM-VWYCJHECSA-N 2 0 198.310 0.299 20 0 ACADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 903453745 582624354 /nfs/dbraw/zinc/62/43/54/582624354.db2.gz KIVBBYFCFZLFDH-GMTAPVOTSA-N 2 0 197.326 0.421 20 0 ACADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](O)C2)C1 903461430 582624356 /nfs/dbraw/zinc/62/43/56/582624356.db2.gz SYXONMUDWBKHQY-AXFHLTTASA-N 2 0 198.310 0.571 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)[C@@H](C[NH3+])C1CC1 903453120 582624394 /nfs/dbraw/zinc/62/43/94/582624394.db2.gz ZTLDLHNSIOUEJE-MNOVXSKESA-N 2 0 197.326 0.408 20 0 ACADRP C[C@H]1C[C@H]([NH3+])CCN1C[C@H]1CCC[NH2+]1 903461612 582624395 /nfs/dbraw/zinc/62/43/95/582624395.db2.gz VWQDRBAXGKFNND-HBNTYKKESA-N 2 0 197.326 0.550 20 0 ACADRP C[C@@H](C[NH3+])N(C)C[C@H]1CCC[NH2+]1 903424959 582624400 /nfs/dbraw/zinc/62/44/00/582624400.db2.gz NKEIHDQRBJOCAV-DTWKUNHWSA-N 2 0 171.288 0.017 20 0 ACADRP C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCC[NH2+]1 903461613 582624414 /nfs/dbraw/zinc/62/44/14/582624414.db2.gz VWQDRBAXGKFNND-OUAUKWLOSA-N 2 0 197.326 0.550 20 0 ACADRP C[NH2+]C[C@@H]1CCCN1C[C@H]1CCC[NH2+]1 903424704 582624425 /nfs/dbraw/zinc/62/44/25/582624425.db2.gz CEBZRCIEXKLNLS-MNOVXSKESA-N 2 0 197.326 0.422 20 0 ACADRP [NH3+]C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903422657 582624437 /nfs/dbraw/zinc/62/44/37/582624437.db2.gz IAIFUKBBKYFVOJ-VHSXEESVSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@H]1C[NH2+]C[C@@H](C)N1C[C@H]1CCC[NH2+]1 903448475 582624441 /nfs/dbraw/zinc/62/44/41/582624441.db2.gz GJFNDNIOMPWPKS-OUAUKWLOSA-N 2 0 197.326 0.421 20 0 ACADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 903422649 582624442 /nfs/dbraw/zinc/62/44/42/582624442.db2.gz HNQOEOKYESPTAR-OUAUKWLOSA-N 2 0 197.326 0.421 20 0 ACADRP CC1([NH3+])CCN(C[C@H]2CCC[NH2+]2)CC1 903449855 582624471 /nfs/dbraw/zinc/62/44/71/582624471.db2.gz IWDGVVOAWPYOMN-SNVBAGLBSA-N 2 0 197.326 0.552 20 0 ACADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H](C)[NH2+]1 903422647 582624502 /nfs/dbraw/zinc/62/45/02/582624502.db2.gz HNQOEOKYESPTAR-GARJFASQSA-N 2 0 197.326 0.421 20 0 ACADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2CO)C1 903454057 582624505 /nfs/dbraw/zinc/62/45/05/582624505.db2.gz SVTVSMRLSKAHMM-AXFHLTTASA-N 2 0 198.310 0.571 20 0 ACADRP C[C@H]1[NH2+]CCN(C[C@H]2CCC[NH2+]2)[C@@H]1C 903449824 582624551 /nfs/dbraw/zinc/62/45/51/582624551.db2.gz HUIOLJPTUJIBTE-GMTAPVOTSA-N 2 0 197.326 0.421 20 0 ACADRP C[C@@H]([NH3+])[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903447474 582624558 /nfs/dbraw/zinc/62/45/58/582624558.db2.gz UAIGHXWGTFKMNF-GMTAPVOTSA-N 2 0 197.326 0.408 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)CC(C)(C)[NH3+] 903463764 582624614 /nfs/dbraw/zinc/62/46/14/582624614.db2.gz LVQKRCKNUWCVAP-SECBINFHSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCC[NH2+]1 903461610 582624635 /nfs/dbraw/zinc/62/46/35/582624635.db2.gz VWQDRBAXGKFNND-GARJFASQSA-N 2 0 197.326 0.550 20 0 ACADRP C[C@@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]2)C1 903452834 582624683 /nfs/dbraw/zinc/62/46/83/582624683.db2.gz SDSRXVXMTSIAFL-MNOVXSKESA-N 2 0 197.326 0.409 20 0 ACADRP C[C@@H]1[NH2+]CCN(C[C@H]2CCC[NH2+]2)[C@@H]1C 903449825 582624744 /nfs/dbraw/zinc/62/47/44/582624744.db2.gz HUIOLJPTUJIBTE-HBNTYKKESA-N 2 0 197.326 0.421 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 903423330 582624751 /nfs/dbraw/zinc/62/47/51/582624751.db2.gz SJLOELPDSRRLPH-NXEZZACHSA-N 2 0 183.299 0.032 20 0 ACADRP C[C@H]1CN(C[C@H]2CCC[NH2+]2)[C@H](C)C[NH2+]1 903453746 582624787 /nfs/dbraw/zinc/62/47/87/582624787.db2.gz KIVBBYFCFZLFDH-HBNTYKKESA-N 2 0 197.326 0.421 20 0 ACADRP C[C@@H]([NH3+])[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903447476 582624806 /nfs/dbraw/zinc/62/48/06/582624806.db2.gz UAIGHXWGTFKMNF-OUAUKWLOSA-N 2 0 197.326 0.408 20 0 ACADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCC[NH2+]1 903459819 582624808 /nfs/dbraw/zinc/62/48/08/582624808.db2.gz OEIGVMHKQBBYIN-GMTAPVOTSA-N 2 0 197.326 0.598 20 0 ACADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@@H](C)[NH2+]1 903422648 582624812 /nfs/dbraw/zinc/62/48/12/582624812.db2.gz HNQOEOKYESPTAR-GMTAPVOTSA-N 2 0 197.326 0.421 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)C1CC([NH3+])C1 903454035 582624829 /nfs/dbraw/zinc/62/48/29/582624829.db2.gz RZXYSPOUPVNZRC-HWOCKDDLSA-N 2 0 183.299 0.160 20 0 ACADRP [NH3+]C1(CNC[C@H]2CCC[NH2+]2)CCC1 903447323 582624830 /nfs/dbraw/zinc/62/48/30/582624830.db2.gz OGLKYMXLFMHVEI-SECBINFHSA-N 2 0 183.299 0.209 20 0 ACADRP C[NH2+][C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 903423360 582624834 /nfs/dbraw/zinc/62/48/34/582624834.db2.gz SPNPGHXJROKDFQ-WDEREUQCSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@H]1C[NH2+][C@H](C)CN1C[C@H]1CCC[NH2+]1 903453747 582624853 /nfs/dbraw/zinc/62/48/53/582624853.db2.gz KIVBBYFCFZLFDH-OUAUKWLOSA-N 2 0 197.326 0.421 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)CC(C)(C)C[NH3+] 903424798 582624873 /nfs/dbraw/zinc/62/48/73/582624873.db2.gz HJXWVYQTPAUUDZ-SNVBAGLBSA-N 2 0 199.342 0.655 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903447473 582624895 /nfs/dbraw/zinc/62/48/95/582624895.db2.gz UAIGHXWGTFKMNF-GARJFASQSA-N 2 0 197.326 0.408 20 0 ACADRP CC1(C)C[NH2+]CCN1C[C@H]1CCC[NH2+]1 903425110 582624898 /nfs/dbraw/zinc/62/48/98/582624898.db2.gz SDMUVAZWTJPXMY-SNVBAGLBSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]2)C[C@H]1[NH3+] 903453567 582624901 /nfs/dbraw/zinc/62/49/01/582624901.db2.gz BYMYSUHJLWIAHU-OPRDCNLKSA-N 2 0 183.299 0.017 20 0 ACADRP [NH3+]C[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903422656 582624949 /nfs/dbraw/zinc/62/49/49/582624949.db2.gz IAIFUKBBKYFVOJ-NXEZZACHSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@]1(C[NH3+])CCN(C[C@H]2CCC[NH2+]2)C1 903452833 582624951 /nfs/dbraw/zinc/62/49/51/582624951.db2.gz SDSRXVXMTSIAFL-GHMZBOCLSA-N 2 0 197.326 0.409 20 0 ACADRP C[NH2+]C[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903423601 582624955 /nfs/dbraw/zinc/62/49/55/582624955.db2.gz YNGQKIDWOSOYTN-WDEREUQCSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 903447475 582624969 /nfs/dbraw/zinc/62/49/69/582624969.db2.gz UAIGHXWGTFKMNF-HBNTYKKESA-N 2 0 197.326 0.408 20 0 ACADRP C1C[NH2+][C@@H](CN2CC[C@@H]3C[NH2+]C[C@@H]32)C1 903453907 582625015 /nfs/dbraw/zinc/62/50/15/582625015.db2.gz OZUQPMVIGXMECS-MXWKQRLJSA-N 2 0 195.310 0.032 20 0 ACADRP CN(C[C@H]1CCC[NH2+]1)[C@H](C[NH3+])C1CC1 903453119 582625020 /nfs/dbraw/zinc/62/50/20/582625020.db2.gz ZTLDLHNSIOUEJE-GHMZBOCLSA-N 2 0 197.326 0.408 20 0 ACADRP C[NH2+][C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 903423357 582625022 /nfs/dbraw/zinc/62/50/22/582625022.db2.gz SPNPGHXJROKDFQ-GHMZBOCLSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@@H]1[NH2+]CCN(C[C@H]2CCC[NH2+]2)[C@H]1C 903449823 582625067 /nfs/dbraw/zinc/62/50/67/582625067.db2.gz HUIOLJPTUJIBTE-GARJFASQSA-N 2 0 197.326 0.421 20 0 ACADRP CC1(C)[C@@H](NC[C@H]2CCC[NH2+]2)C[C@H]1[NH3+] 903482575 582625131 /nfs/dbraw/zinc/62/51/31/582625131.db2.gz LNHXMHCUBVOPIY-BBBLOLIVSA-N 2 0 197.326 0.454 20 0 ACADRP CC1(C)[C@@H]([NH3+])C[C@H]1NC[C@H]1CCC[NH2+]1 903482576 582625224 /nfs/dbraw/zinc/62/52/24/582625224.db2.gz LNHXMHCUBVOPIY-KXUCPTDWSA-N 2 0 197.326 0.454 20 0 ACADRP C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1CCC[NH2+]1 903477255 582625257 /nfs/dbraw/zinc/62/52/57/582625257.db2.gz WKBOTLTYAPZSOM-KXUCPTDWSA-N 2 0 183.299 0.160 20 0 ACADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCC[NH2+]1 903482577 582625386 /nfs/dbraw/zinc/62/53/86/582625386.db2.gz LNHXMHCUBVOPIY-OPRDCNLKSA-N 2 0 197.326 0.454 20 0 ACADRP CCN(C[C@H]1CCC[NH2+]1)[C@@H]1CC[NH2+]C1 903481873 582625392 /nfs/dbraw/zinc/62/53/92/582625392.db2.gz PFQHHWYZKWOGGQ-GHMZBOCLSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@H]1C[C@H]([NH3+])CN1C[C@H]1CCC[NH2+]1 903477256 582625448 /nfs/dbraw/zinc/62/54/48/582625448.db2.gz WKBOTLTYAPZSOM-LPEHRKFASA-N 2 0 183.299 0.160 20 0 ACADRP C1C[NH2+][C@@H](CN2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 903476552 582625323 /nfs/dbraw/zinc/62/53/23/582625323.db2.gz ANLVLGLWQGLTPL-MXWKQRLJSA-N 2 0 195.310 0.175 20 0 ACADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCC[NH2+]1 903455523 582625509 /nfs/dbraw/zinc/62/55/09/582625509.db2.gz YQFIQYVNRPAFLS-NXEZZACHSA-N 2 0 199.342 0.701 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H]1CO 903491069 582625546 /nfs/dbraw/zinc/62/55/46/582625546.db2.gz UDFDVTXTDMLAEJ-OUAUKWLOSA-N 2 0 198.310 0.299 20 0 ACADRP CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCC[NH2+]1 903455524 582625604 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903939613 582629552 /nfs/dbraw/zinc/62/95/52/582629552.db2.gz KFVQCOMNSOHOPZ-SNVBAGLBSA-N 2 0 199.342 0.846 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[C@H]([NH3+])C1 903939256 582629587 /nfs/dbraw/zinc/62/95/87/582629587.db2.gz DVJMTLCELPIPLS-UWVGGRQHSA-N 2 0 199.342 0.973 20 0 ACADRP CC[NH2+]CCNC[C@@H]([NH3+])CC(F)F 903916258 582629606 /nfs/dbraw/zinc/62/96/06/582629606.db2.gz GCBYOMFLKBPEQV-ZETCQYMHSA-N 2 0 195.257 0.168 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[NH2+]C1 903939902 582629692 /nfs/dbraw/zinc/62/96/92/582629692.db2.gz QCVKGRUTPFTWKE-VIFPVBQESA-N 2 0 185.315 0.455 20 0 ACADRP CCN(CC[NH3+])C[C@@H]([NH3+])CC(F)F 903935501 582629715 /nfs/dbraw/zinc/62/97/15/582629715.db2.gz QRNNMWKLARUAFG-ZETCQYMHSA-N 2 0 195.257 0.250 20 0 ACADRP C[C@@H]([NH3+])CN(C)C[C@@H]([NH3+])CC(F)F 903933955 582629719 /nfs/dbraw/zinc/62/97/19/582629719.db2.gz BVJTYYJXTBVWFA-RQJHMYQMSA-N 2 0 195.257 0.248 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[NH2+]CC1 903939612 582629736 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YHAMOKPROKKQKM-MXWKQRLJSA-N 2 0 197.326 0.421 20 0 ACADRP C[C@@H]1NCCC[C@H]1[NH2+][C@H](C)CCC[NH3+] 817971554 583000916 /nfs/dbraw/zinc/00/09/16/583000916.db2.gz OFAOLJPFEQMHDU-OUAUKWLOSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCN[C@@H]1C 817971552 583001129 /nfs/dbraw/zinc/00/11/29/583001129.db2.gz OFAOLJPFEQMHDU-MXWKQRLJSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@@H]1NCCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] 817971555 583001480 /nfs/dbraw/zinc/00/14/80/583001480.db2.gz OFAOLJPFEQMHDU-VWYCJHECSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN[C@@H]1C 817971551 583001865 /nfs/dbraw/zinc/00/18/65/583001865.db2.gz OFAOLJPFEQMHDU-GMTAPVOTSA-N 2 0 199.342 0.844 20 0 ACADRP C[NH2+]CCN(C)CC[C@@H]1CCC[NH2+]C1 842473802 583123227 /nfs/dbraw/zinc/12/32/27/583123227.db2.gz IBZGRLHGLHNLPG-NSHDSACASA-N 2 0 199.342 0.527 20 0 ACADRP C[NH2+]CCN(C)CC[C@H]1CCC[NH2+]C1 842473801 583123366 /nfs/dbraw/zinc/12/33/66/583123366.db2.gz IBZGRLHGLHNLPG-LLVKDONJSA-N 2 0 199.342 0.527 20 0 ACADRP CN(CC[NH3+])CCCCCCC[NH3+] 842479033 583123504 /nfs/dbraw/zinc/12/35/04/583123504.db2.gz NZLAEHFOOOOCKI-UHFFFAOYSA-N 2 0 187.331 0.786 20 0 ACADRP C[NH2+]CCN(C)C[C@@H]1CC[NH2+][C@H](C)C1 843057710 583131379 /nfs/dbraw/zinc/13/13/79/583131379.db2.gz RMJNALFHCWXHBK-GHMZBOCLSA-N 3 0 199.342 0.526 20 0 ACADRP [NH3+]CCCN1CCC[C@H](C[NH3+])C1 843047823 583131402 /nfs/dbraw/zinc/13/14/02/583131402.db2.gz XIXCARJZRHZSRT-SECBINFHSA-N 2 0 171.288 0.006 20 0 ACADRP C[N@H+](CCC[NH3+])C1CCC([NH3+])CC1 843054729 583131425 /nfs/dbraw/zinc/13/14/25/583131425.db2.gz DKYZKNULUDDDBD-UHFFFAOYSA-N 2 0 185.315 0.537 20 0 ACADRP C[NH2+]CCN(C)C[C@H]1CC[NH2+][C@H](C)C1 843057711 583131460 /nfs/dbraw/zinc/13/14/60/583131460.db2.gz RMJNALFHCWXHBK-MNOVXSKESA-N 3 0 199.342 0.526 20 0 ACADRP C[NH2+]CCN(C)C[C@H]1CC[NH2+][C@@H](C)C1 843057712 583131602 /nfs/dbraw/zinc/13/16/02/583131602.db2.gz RMJNALFHCWXHBK-QWRGUYRKSA-N 3 0 199.342 0.526 20 0 ACADRP [NH3+]CCCN1CCC[C@@H](C[NH3+])C1 843047824 583131645 /nfs/dbraw/zinc/13/16/45/583131645.db2.gz XIXCARJZRHZSRT-VIFPVBQESA-N 2 0 171.288 0.006 20 0 ACADRP C[NH2+]CCN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 843057713 583131693 /nfs/dbraw/zinc/13/16/93/583131693.db2.gz RMJNALFHCWXHBK-WDEREUQCSA-N 3 0 199.342 0.526 20 0 ACADRP C[NH2+]CCN(C)CC[NH2+]C(C)(C)C 843057362 583131755 /nfs/dbraw/zinc/13/17/55/583131755.db2.gz JMKKCOAGZSOUDZ-UHFFFAOYSA-N 2 0 187.331 0.526 20 0 ACADRP [NH3+]CCCCCCCN1CC[C@@H]([NH3+])C1 843344558 583131911 /nfs/dbraw/zinc/13/19/11/583131911.db2.gz LCZYBNJVFVROQC-LLVKDONJSA-N 2 0 199.342 0.929 20 0 ACADRP [NH3+]CCCCCC[NH2+][C@H]1CCCNC1 843128457 583131973 /nfs/dbraw/zinc/13/19/73/583131973.db2.gz JTCAMATZJRIXPH-NSHDSACASA-N 2 0 199.342 0.847 20 0 ACADRP C[C@@H](CN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 843126740 583132005 /nfs/dbraw/zinc/13/20/05/583132005.db2.gz VYEFAQMKESCMKN-XWLWVQCSSA-N 2 0 197.326 0.311 20 0 ACADRP [NH3+]CCCCCCN[C@H]1CC[NH2+]C1 843128670 583132017 /nfs/dbraw/zinc/13/20/17/583132017.db2.gz KRTCZGDCOVTUPA-JTQLQIEISA-N 2 0 185.315 0.457 20 0 ACADRP C[C@@H]([NH2+]CCCCCC[NH3+])C1C[NH2+]C1 843343652 583132076 /nfs/dbraw/zinc/13/20/76/583132076.db2.gz BTJQREDHUQUWCT-SNVBAGLBSA-N 3 0 199.342 0.703 20 0 ACADRP [NH3+]CCCCCCCN1CC[C@H]([NH3+])C1 843346483 583132162 /nfs/dbraw/zinc/13/21/62/583132162.db2.gz LCZYBNJVFVROQC-NSHDSACASA-N 2 0 199.342 0.929 20 0 ACADRP C[C@@H](CN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 843126738 583132183 /nfs/dbraw/zinc/13/21/83/583132183.db2.gz VYEFAQMKESCMKN-LNFKQOIKSA-N 2 0 197.326 0.311 20 0 ACADRP [NH3+]CCCCCC[NH2+][C@@H]1CCCNC1 843128440 583132226 /nfs/dbraw/zinc/13/22/26/583132226.db2.gz JTCAMATZJRIXPH-LLVKDONJSA-N 2 0 199.342 0.847 20 0 ACADRP C[C@@H](CN)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 843126741 583132253 /nfs/dbraw/zinc/13/22/53/583132253.db2.gz VYEFAQMKESCMKN-ZRUFSTJUSA-N 2 0 197.326 0.311 20 0 ACADRP [NH3+]C1C[C@@H]2CC[C@H](C1)C2[NH2+]C1CNC1 843126142 583132296 /nfs/dbraw/zinc/13/22/96/583132296.db2.gz NNTZYZJEDYIYQF-REMFIFCHSA-N 2 0 195.310 0.064 20 0 ACADRP [NH3+]CCCCCCN[C@@H]1CC[NH2+]C1 843128673 583132318 /nfs/dbraw/zinc/13/23/18/583132318.db2.gz KRTCZGDCOVTUPA-SNVBAGLBSA-N 2 0 185.315 0.457 20 0 ACADRP C[C@H]([NH2+]CCCCCC[NH3+])C1C[NH2+]C1 843343650 583132327 /nfs/dbraw/zinc/13/23/27/583132327.db2.gz BTJQREDHUQUWCT-JTQLQIEISA-N 3 0 199.342 0.703 20 0 ACADRP C[C@@H](CN)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 843126739 583132372 /nfs/dbraw/zinc/13/23/72/583132372.db2.gz VYEFAQMKESCMKN-UKKRHICBSA-N 2 0 197.326 0.311 20 0 ACADRP CC(C)([NH3+])C[NH2+]CCCCCC[NH3+] 843126879 583132499 /nfs/dbraw/zinc/13/24/99/583132499.db2.gz KMYLFPWSIIZUHM-UHFFFAOYSA-N 3 0 187.331 0.832 20 0 ACADRP C[NH2+]CCN(C)CCC1CC[NH2+]CC1 843388971 583132678 /nfs/dbraw/zinc/13/26/78/583132678.db2.gz ZLAHFBMVMDSHCU-UHFFFAOYSA-N 2 0 199.342 0.527 20 0 ACADRP C[NH2+]CCCN1CC[C@]2(CCC[NH2+]2)C1 843389877 583132819 /nfs/dbraw/zinc/13/28/19/583132819.db2.gz ASWHAITULFWCRP-LLVKDONJSA-N 2 0 197.326 0.424 20 0 ACADRP C[NH2+]CCCN1CC[C@@]2(CCC[NH2+]2)C1 843389893 583133017 /nfs/dbraw/zinc/13/30/17/583133017.db2.gz ASWHAITULFWCRP-NSHDSACASA-N 2 0 197.326 0.424 20 0 ACADRP [NH3+]CCCCCCNC(=O)C1([NH3+])CC1 843506368 583133324 /nfs/dbraw/zinc/13/33/24/583133324.db2.gz UEWJDFZSTIRJRW-UHFFFAOYSA-N 2 0 199.298 0.113 20 0 ACADRP C[NH2+][C@@H]1CCN(CCCCCC[NH3+])C1 846214479 583152822 /nfs/dbraw/zinc/15/28/22/583152822.db2.gz GALCGOYNFPCNQJ-LLVKDONJSA-N 2 0 199.342 0.799 20 0 ACADRP [NH3+]CCCCCC[NH+]1CCC([NH3+])CC1 846213001 583152833 /nfs/dbraw/zinc/15/28/33/583152833.db2.gz AXZGOMZDYFHLHP-UHFFFAOYSA-N 3 0 199.342 0.929 20 0 ACADRP C[C@@H](CN)[N@H+](C)CCCCCC[NH3+] 846217712 583152841 /nfs/dbraw/zinc/15/28/41/583152841.db2.gz MPVUWOGAFABWRS-JTQLQIEISA-N 2 0 187.331 0.785 20 0 ACADRP C[C@H]1CN(CCCCCC[NH3+])CC[NH2+]1 846217415 583152910 /nfs/dbraw/zinc/15/29/10/583152910.db2.gz GYNRVEFJFRHZPM-NSHDSACASA-N 2 0 199.342 0.799 20 0 ACADRP [NH3+]CCCCCC[N@@H+]1CC[C@H](C[NH3+])C1 846217416 583152935 /nfs/dbraw/zinc/15/29/35/583152935.db2.gz HAUJJXCXCSXFPV-LLVKDONJSA-N 3 0 199.342 0.786 20 0 ACADRP [NH3+]CCCCCCN1CC[C@@H]([NH3+])C1 846213845 583152954 /nfs/dbraw/zinc/15/29/54/583152954.db2.gz DBCVUMIVLBKMIM-SNVBAGLBSA-N 2 0 185.315 0.539 20 0 ACADRP C[C@@H]1CN(CCCCCC[NH3+])CC[NH2+]1 846217414 583153038 /nfs/dbraw/zinc/15/30/38/583153038.db2.gz GYNRVEFJFRHZPM-LLVKDONJSA-N 2 0 199.342 0.799 20 0 ACADRP [NH3+]CCCCCCN1CCC[C@@H]([NH3+])C1 846213161 583153050 /nfs/dbraw/zinc/15/30/50/583153050.db2.gz CCQISYIZMNBVSI-LLVKDONJSA-N 2 0 199.342 0.929 20 0 ACADRP C[C@H]1C[NH2+]CCN1CCCCCC[NH3+] 846216385 583153102 /nfs/dbraw/zinc/15/31/02/583153102.db2.gz RCZLAAALHCHORN-NSHDSACASA-N 2 0 199.342 0.799 20 0 ACADRP C[C@H](CN)[N@H+](C)CCCCCC[NH3+] 846217713 583153127 /nfs/dbraw/zinc/15/31/27/583153127.db2.gz MPVUWOGAFABWRS-SNVBAGLBSA-N 2 0 187.331 0.785 20 0 ACADRP C[C@@H]1C[NH2+]CCN1CCCCCC[NH3+] 846216383 583153325 /nfs/dbraw/zinc/15/33/25/583153325.db2.gz RCZLAAALHCHORN-LLVKDONJSA-N 2 0 199.342 0.799 20 0 ACADRP NC[C@H]1CCC[N@@H+]1CCCCCC[NH3+] 846217206 583153338 /nfs/dbraw/zinc/15/33/38/583153338.db2.gz CQIBMMRAUGVWMT-LLVKDONJSA-N 2 0 199.342 0.929 20 0 ACADRP [NH3+]CCCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 846217418 583153371 /nfs/dbraw/zinc/15/33/71/583153371.db2.gz HAUJJXCXCSXFPV-NSHDSACASA-N 3 0 199.342 0.786 20 0 ACADRP C[NH2+][C@H]1CCN(CCCCCC[NH3+])C1 846214481 583153437 /nfs/dbraw/zinc/15/34/37/583153437.db2.gz GALCGOYNFPCNQJ-NSHDSACASA-N 2 0 199.342 0.799 20 0 ACADRP [NH3+]CCCCCCN1CCC[C@H]([NH3+])C1 846213164 583153442 /nfs/dbraw/zinc/15/34/42/583153442.db2.gz CCQISYIZMNBVSI-NSHDSACASA-N 2 0 199.342 0.929 20 0 ACADRP [NH3+]CCCCCCN1CC[C@H]([NH3+])C1 846217212 583153486 /nfs/dbraw/zinc/15/34/86/583153486.db2.gz DBCVUMIVLBKMIM-JTQLQIEISA-N 2 0 185.315 0.539 20 0 ACADRP CN(CCCCCC[NH3+])[C@H]1CC[NH2+]C1 846218548 583153585 /nfs/dbraw/zinc/15/35/85/583153585.db2.gz YHBOVNOOPDGDLC-NSHDSACASA-N 2 0 199.342 0.799 20 0 ACADRP [NH3+]CCCCCC[NH2+]CC1([NH3+])CCC1 846220030 583153710 /nfs/dbraw/zinc/15/37/10/583153710.db2.gz JSXKMNUUMCYNBO-UHFFFAOYSA-N 3 0 199.342 0.977 20 0 ACADRP C[N@H+](CCCCCC[NH3+])C1CC([NH3+])C1 846220151 583154022 /nfs/dbraw/zinc/15/40/22/583154022.db2.gz DSQQNBSLQBYCGX-UHFFFAOYSA-N 3 0 199.342 0.927 20 0 ACADRP CN(CCCCCC[NH3+])[C@@H]1CC[NH2+]C1 846218547 583154079 /nfs/dbraw/zinc/15/40/79/583154079.db2.gz YHBOVNOOPDGDLC-LLVKDONJSA-N 2 0 199.342 0.799 20 0 ACADRP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1[NH3+] 846221111 583154084 /nfs/dbraw/zinc/15/40/84/583154084.db2.gz SPPISBBFDCDSAG-GHMZBOCLSA-N 3 0 199.342 0.785 20 0 ACADRP C[NH2+]CCN(C)CCCCCC[NH3+] 846220076 583154094 /nfs/dbraw/zinc/15/40/94/583154094.db2.gz ASIYOIBYEAVCLG-UHFFFAOYSA-N 2 0 187.331 0.657 20 0 ACADRP COC1(C[NH3+])CC[NH+](C2CC2)CC1 107416920 583167822 /nfs/dbraw/zinc/16/78/22/583167822.db2.gz ASNCOSHQMOMFRB-UHFFFAOYSA-N 2 0 184.283 0.589 20 0 ACADRP C[C@@H](C[NH3+])N[C@@H]1CCC[C@H]([NH3+])C1 848714416 583169950 /nfs/dbraw/zinc/16/99/50/583169950.db2.gz BEBFMWSUTUVUHN-XHNCKOQMSA-N 2 0 171.288 0.193 20 0 ACADRP C[C@@H](C[NH3+])N[C@H]1CCC[C@@H]([NH3+])C1 848714417 583169995 /nfs/dbraw/zinc/16/99/95/583169995.db2.gz BEBFMWSUTUVUHN-YIZRAAEISA-N 2 0 171.288 0.193 20 0 ACADRP C[C@@H](C[NH3+])N[C@H]1CCC[C@H]([NH3+])C1 848714381 583170110 /nfs/dbraw/zinc/17/01/10/583170110.db2.gz BEBFMWSUTUVUHN-CIUDSAMLSA-N 2 0 171.288 0.193 20 0 ACADRP CN(C)C(=[NH2+])NC[C@H](C1CC1)[NH+](C)C 848994988 583170621 /nfs/dbraw/zinc/17/06/21/583170621.db2.gz XHCDSGJIHCCLCB-SECBINFHSA-N 2 0 198.314 0.413 20 0 ACADRP CN(C)C(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C 848994989 583170629 /nfs/dbraw/zinc/17/06/29/583170629.db2.gz XHCDSGJIHCCLCB-VIFPVBQESA-N 2 0 198.314 0.413 20 0 ACADRP CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C 848994956 583170665 /nfs/dbraw/zinc/17/06/65/583170665.db2.gz RIKMKOGXELWJSI-QMMMGPOBSA-N 2 0 184.287 0.070 20 0 ACADRP C[NH+](C)C1(CNC(N)=[NH2+])CCCCC1 848981182 583171446 /nfs/dbraw/zinc/17/14/46/583171446.db2.gz WMHPJHHNEDPNHH-UHFFFAOYSA-N 2 0 198.314 0.734 20 0 ACADRP CN(C(=[NH2+])NCCC[NH+](C)C)C1CC1 848980347 583171569 /nfs/dbraw/zinc/17/15/69/583171569.db2.gz CUDFASNSNQZNSI-UHFFFAOYSA-N 2 0 198.314 0.557 20 0 ACADRP CC[NH+](CC)CCNC(=[NH2+])N1CCC1 848980646 583171572 /nfs/dbraw/zinc/17/15/72/583171572.db2.gz ZNSWNYKWUBEJNB-UHFFFAOYSA-N 2 0 198.314 0.558 20 0 ACADRP CN(C)C(=[NH2+])NCC(C)(C)[NH+](C)C 848981648 583171598 /nfs/dbraw/zinc/17/15/98/583171598.db2.gz JWPTULLLNPAZHF-UHFFFAOYSA-N 2 0 186.303 0.413 20 0 ACADRP CC[NH+](CC)CCNC(=[NH2+])N(C)C 848980591 583171622 /nfs/dbraw/zinc/17/16/22/583171622.db2.gz KQBPNOVRPOMGMJ-UHFFFAOYSA-N 2 0 186.303 0.414 20 0 ACADRP C[NH+](C)C(C)(C)CNC(=[NH2+])N1CCC1 848981604 583171731 /nfs/dbraw/zinc/17/17/31/583171731.db2.gz CJRFVEBLTKZHQV-UHFFFAOYSA-N 2 0 198.314 0.557 20 0 ACADRP CC(C)(CNC(N)=[NH2+])[NH+]1CCCCC1 848981692 583171813 /nfs/dbraw/zinc/17/18/13/583171813.db2.gz TYRYONZNQZCXDW-UHFFFAOYSA-N 2 0 198.314 0.734 20 0 ACADRP C[NH+](C)CCCNC(=[NH2+])NC1CCC1 848980465 583171898 /nfs/dbraw/zinc/17/18/98/583171898.db2.gz PUQPGEMZUWYIAC-UHFFFAOYSA-N 2 0 198.314 0.605 20 0 ACADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 848992543 583172033 /nfs/dbraw/zinc/17/20/33/583172033.db2.gz HUDBPRUPUPYRCG-SECBINFHSA-N 2 0 198.314 0.414 20 0 ACADRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 848992544 583172305 /nfs/dbraw/zinc/17/23/05/583172305.db2.gz HUDBPRUPUPYRCG-VIFPVBQESA-N 2 0 198.314 0.414 20 0 ACADRP C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 848992755 583172316 /nfs/dbraw/zinc/17/23/16/583172316.db2.gz SHCZMTFFHYZSNE-SECBINFHSA-N 2 0 196.298 0.168 20 0 ACADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 848992756 583172490 /nfs/dbraw/zinc/17/24/90/583172490.db2.gz SHCZMTFFHYZSNE-VIFPVBQESA-N 2 0 196.298 0.168 20 0 ACADRP CC1CC[NH+]([C@@H](C)CNC(N)=[NH2+])CC1 848998648 583172912 /nfs/dbraw/zinc/17/29/12/583172912.db2.gz DSJBKWQHDHQUJO-VIFPVBQESA-N 2 0 198.314 0.590 20 0 ACADRP CNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C 848994955 583172975 /nfs/dbraw/zinc/17/29/75/583172975.db2.gz RIKMKOGXELWJSI-MRVPVSSYSA-N 2 0 184.287 0.070 20 0 ACADRP CCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C 848994858 583173132 /nfs/dbraw/zinc/17/31/32/583173132.db2.gz HSVCKZKSZMVQGU-SECBINFHSA-N 2 0 198.314 0.460 20 0 ACADRP CC1CC[NH+]([C@H](C)CNC(N)=[NH2+])CC1 848998647 583173155 /nfs/dbraw/zinc/17/31/55/583173155.db2.gz DSJBKWQHDHQUJO-SECBINFHSA-N 2 0 198.314 0.590 20 0 ACADRP CCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C 848994859 583173192 /nfs/dbraw/zinc/17/31/92/583173192.db2.gz HSVCKZKSZMVQGU-VIFPVBQESA-N 2 0 198.314 0.460 20 0 ACADRP CCN(CCNC(=[NH2+])N(C)C)C1CC1 849001053 583173281 /nfs/dbraw/zinc/17/32/81/583173281.db2.gz VVDLBKPKDXYRBN-UHFFFAOYSA-N 2 0 198.314 0.557 20 0 ACADRP CC[NH+]1CCC(CCNC(N)=[NH2+])CC1 849007206 583173385 /nfs/dbraw/zinc/17/33/85/583173385.db2.gz AYEPALYNPSNYHK-UHFFFAOYSA-N 2 0 198.314 0.591 20 0 ACADRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC 849005958 583173543 /nfs/dbraw/zinc/17/35/43/583173543.db2.gz FTOGDRWPNATQER-SECBINFHSA-N 2 0 198.314 0.605 20 0 ACADRP CCCC[N@H+](C)CCNC(=[NH2+])NC 849005830 583173589 /nfs/dbraw/zinc/17/35/89/583173589.db2.gz UZGACZGFNQPQGS-UHFFFAOYSA-N 2 0 186.303 0.462 20 0 ACADRP CC(C)(C)[NH2+]CCNC(=[NH2+])N1CCC1 849005950 583173711 /nfs/dbraw/zinc/17/37/11/583173711.db2.gz FCIYGMUBUGEWGK-UHFFFAOYSA-N 2 0 198.314 0.605 20 0 ACADRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC 849005959 583173903 /nfs/dbraw/zinc/17/39/03/583173903.db2.gz FTOGDRWPNATQER-VIFPVBQESA-N 2 0 198.314 0.605 20 0 ACADRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 849005508 583173947 /nfs/dbraw/zinc/17/39/47/583173947.db2.gz XDBBJUGHCKZPJC-SECBINFHSA-N 2 0 198.314 0.414 20 0 ACADRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 849005511 583174029 /nfs/dbraw/zinc/17/40/29/583174029.db2.gz XDBBJUGHCKZPJC-VIFPVBQESA-N 2 0 198.314 0.414 20 0 ACADRP CC(C)C[N@@H+]1CC[C@H](CNC(N)=[NH2+])C1 849012721 583174487 /nfs/dbraw/zinc/17/44/87/583174487.db2.gz VKGFESVVYBABDU-SECBINFHSA-N 2 0 198.314 0.447 20 0 ACADRP CC(C)C[N@@H+]1CC[C@@H](CNC(N)=[NH2+])C1 849012722 583174502 /nfs/dbraw/zinc/17/45/02/583174502.db2.gz VKGFESVVYBABDU-VIFPVBQESA-N 2 0 198.314 0.447 20 0 ACADRP CN(C)C(=[NH2+])NCC1([NH+](C)C)CCC1 849020725 583175640 /nfs/dbraw/zinc/17/56/40/583175640.db2.gz ZVUNLJAAWPWCBE-UHFFFAOYSA-N 2 0 198.314 0.557 20 0 ACADRP C[NH+](C)CC1(CNC(N)=[NH2+])CCCC1 849019013 583175710 /nfs/dbraw/zinc/17/57/10/583175710.db2.gz ZDYHCGCZBAFHMU-UHFFFAOYSA-N 2 0 198.314 0.591 20 0 ACADRP C[C@H](CCNC(N)=[NH2+])[NH+]1CCCCC1 849018435 583175959 /nfs/dbraw/zinc/17/59/59/583175959.db2.gz VJQBSONSYZPBAB-SECBINFHSA-N 2 0 198.314 0.734 20 0 ACADRP C[C@@H](CCNC(N)=[NH2+])[NH+]1CCCCC1 849018436 583176001 /nfs/dbraw/zinc/17/60/01/583176001.db2.gz VJQBSONSYZPBAB-VIFPVBQESA-N 2 0 198.314 0.734 20 0 ACADRP NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 849023013 583176232 /nfs/dbraw/zinc/17/62/32/583176232.db2.gz FGROZTSORGWBJK-VIFPVBQESA-N 2 0 196.298 0.486 20 0 ACADRP NC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 849022952 583176266 /nfs/dbraw/zinc/17/62/66/583176266.db2.gz WWDSQGXKOBNVRV-UHFFFAOYSA-N 2 0 196.298 0.344 20 0 ACADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(N)=[NH2+] 849023939 583176391 /nfs/dbraw/zinc/17/63/91/583176391.db2.gz MWFIKPHXGVCCRV-QMMMGPOBSA-N 2 0 198.314 0.590 20 0 ACADRP NC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C1CC1 849023012 583176409 /nfs/dbraw/zinc/17/64/09/583176409.db2.gz FGROZTSORGWBJK-SECBINFHSA-N 2 0 196.298 0.486 20 0 ACADRP C[C@H](CNC(=[NH2+])N1CCC1)C[NH+](C)C 849030805 583176782 /nfs/dbraw/zinc/17/67/82/583176782.db2.gz YCAMNAYDQYNJLL-SECBINFHSA-N 2 0 198.314 0.414 20 0 ACADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(N)=[NH2+] 849023938 583176467 /nfs/dbraw/zinc/17/64/67/583176467.db2.gz MWFIKPHXGVCCRV-MRVPVSSYSA-N 2 0 198.314 0.590 20 0 ACADRP C[C@@H](CNC(=[NH2+])N1CCC1)C[NH+](C)C 849030806 583176824 /nfs/dbraw/zinc/17/68/24/583176824.db2.gz YCAMNAYDQYNJLL-VIFPVBQESA-N 2 0 198.314 0.414 20 0 ACADRP CCC[N@@H+]1CCC[C@H]1CNC(N)=[NH2+] 849027916 583177026 /nfs/dbraw/zinc/17/70/26/583177026.db2.gz RAEDYBMZSAOYCH-QMMMGPOBSA-N 2 0 184.287 0.344 20 0 ACADRP C[C@@H](CNC(=[NH2+])N(C)C)C[NH+](C)C 849030616 583177126 /nfs/dbraw/zinc/17/71/26/583177126.db2.gz PUBXWXLXLMTKTH-QMMMGPOBSA-N 2 0 186.303 0.270 20 0 ACADRP C[C@H](CNC(=[NH2+])N(C)C)C[NH+](C)C 849030615 583177154 /nfs/dbraw/zinc/17/71/54/583177154.db2.gz PUBXWXLXLMTKTH-MRVPVSSYSA-N 2 0 186.303 0.270 20 0 ACADRP CNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C 849039361 583178289 /nfs/dbraw/zinc/17/82/89/583178289.db2.gz UJUAGDAMWUKBPP-UHFFFAOYSA-N 2 0 198.314 0.605 20 0 ACADRP C[N@@H+]1CCC[C@@H](CCNC(N)=[NH2+])C1 849041119 583178298 /nfs/dbraw/zinc/17/82/98/583178298.db2.gz KSDHFYDHKQRWDE-QMMMGPOBSA-N 2 0 184.287 0.201 20 0 ACADRP CNC(=[NH2+])NCC[C@H]1CCC[N@H+](C)C1 849041049 583178454 /nfs/dbraw/zinc/17/84/54/583178454.db2.gz IQTCODBCJZNVKV-SECBINFHSA-N 2 0 198.314 0.462 20 0 ACADRP CNC(=[NH2+])NCCCC[N@H+](C)C1CC1 849039802 583178437 /nfs/dbraw/zinc/17/84/37/583178437.db2.gz SSRKPJGFHKGMQU-UHFFFAOYSA-N 2 0 198.314 0.605 20 0 ACADRP CNC(=[NH2+])NCC[C@@H]1CCC[N@H+](C)C1 849041050 583178443 /nfs/dbraw/zinc/17/84/43/583178443.db2.gz IQTCODBCJZNVKV-VIFPVBQESA-N 2 0 198.314 0.462 20 0 ACADRP C[N@@H+]1CCC[C@H](CCNC(N)=[NH2+])C1 849041118 583178475 /nfs/dbraw/zinc/17/84/75/583178475.db2.gz KSDHFYDHKQRWDE-MRVPVSSYSA-N 2 0 184.287 0.201 20 0 ACADRP C[N@H+](CCCCNC(N)=[NH2+])C1CC1 849039499 583178583 /nfs/dbraw/zinc/17/85/83/583178583.db2.gz BPABKOWASONKBF-UHFFFAOYSA-N 2 0 184.287 0.344 20 0 ACADRP CCNC(=[NH2+])NC[C@H](C)[NH+]1CCCC1 112800819 583243469 /nfs/dbraw/zinc/24/34/69/583243469.db2.gz JUPKWRZPUZEQCM-VIFPVBQESA-N 2 0 198.314 0.605 20 0 ACADRP CCNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC1 112800816 583243941 /nfs/dbraw/zinc/24/39/41/583243941.db2.gz JUPKWRZPUZEQCM-SECBINFHSA-N 2 0 198.314 0.605 20 0 ACADRP C[NH+](C)CCNc1cc[nH+]c(CO)c1 858309670 583269518 /nfs/dbraw/zinc/26/95/18/583269518.db2.gz FOBXWHKGEGRONG-UHFFFAOYSA-N 2 0 195.266 0.547 20 0 ACADRP FCC[N@@H+]1CCc2nc[nH]c2C1 859308627 583278470 /nfs/dbraw/zinc/27/84/70/583278470.db2.gz YJQNGXOCMGMVAI-UHFFFAOYSA-N 2 0 169.203 0.737 20 0 ACADRP C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[NH2+]C1 863565670 583310558 /nfs/dbraw/zinc/31/05/58/583310558.db2.gz QHZSGKGXRVIWMO-NXEZZACHSA-N 2 0 185.315 0.265 20 0 ACADRP CC[N@H+](CCN)CCCCCC[NH3+] 863551808 583310583 /nfs/dbraw/zinc/31/05/83/583310583.db2.gz RHTOZUFSBAUGSG-UHFFFAOYSA-N 2 0 187.331 0.786 20 0 ACADRP C[C@H](N)C[N@H+](C)CC1CC[NH2+]CC1 863565430 583310681 /nfs/dbraw/zinc/31/06/81/583310681.db2.gz KAMXMPCVNNOPLH-VIFPVBQESA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)CCC1CC[NH2+]CC1 863568370 583310824 /nfs/dbraw/zinc/31/08/24/583310824.db2.gz KYGBGGXRYKFOTM-SNVBAGLBSA-N 3 0 199.342 0.655 20 0 ACADRP C[C@@H](N)C[N@H+](C)CC1CC[NH2+]CC1 863565429 583310959 /nfs/dbraw/zinc/31/09/59/583310959.db2.gz KAMXMPCVNNOPLH-SECBINFHSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H]([NH3+])CN(C)C[C@H]1CCC[NH2+]C1 863565673 583311051 /nfs/dbraw/zinc/31/10/51/583311051.db2.gz QHZSGKGXRVIWMO-ZJUUUORDSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H]([NH3+])CN(C)CC[NH2+]C(C)(C)C 863652104 583311899 /nfs/dbraw/zinc/31/18/99/583311899.db2.gz QZVKQNGENMALFP-SECBINFHSA-N 2 0 187.331 0.654 20 0 ACADRP C[C@H]([NH3+])CN(C)C[C@H]1CCC[NH2+]C1 863565671 583311227 /nfs/dbraw/zinc/31/12/27/583311227.db2.gz QHZSGKGXRVIWMO-UWVGGRQHSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@H]([NH3+])CN(C)C[C@@H]1CCC[NH2+]C1 863565672 583311293 /nfs/dbraw/zinc/31/12/93/583311293.db2.gz QHZSGKGXRVIWMO-VHSXEESVSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C)CCC1CC[NH2+]CC1 863568369 583311347 /nfs/dbraw/zinc/31/13/47/583311347.db2.gz KYGBGGXRYKFOTM-JTQLQIEISA-N 3 0 199.342 0.655 20 0 ACADRP C[C@H]([NH3+])CN(C)Cc1ccc(N)nc1 863651760 583311653 /nfs/dbraw/zinc/31/16/53/583311653.db2.gz MBUWRASVZPDDJL-QMMMGPOBSA-N 2 0 194.282 0.443 20 0 ACADRP C[C@H]([NH3+])CN(C)CC[NH2+]C(C)(C)C 863652105 583311683 /nfs/dbraw/zinc/31/16/83/583311683.db2.gz QZVKQNGENMALFP-VIFPVBQESA-N 2 0 187.331 0.654 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C)CCCCCC[NH3+] 863569646 583311690 /nfs/dbraw/zinc/31/16/90/583311690.db2.gz ZBNIKWYAXGSKRV-JTQLQIEISA-N 3 0 187.331 0.785 20 0 ACADRP C[C@H](N)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 863651754 583311711 /nfs/dbraw/zinc/31/17/11/583311711.db2.gz LSLZYOJSQCQGOP-GARJFASQSA-N 2 0 199.342 0.654 20 0 ACADRP C[C@H](N)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 863651755 583311818 /nfs/dbraw/zinc/31/18/18/583311818.db2.gz LSLZYOJSQCQGOP-HBNTYKKESA-N 2 0 199.342 0.654 20 0 ACADRP C[C@H](N)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 863651752 583311830 /nfs/dbraw/zinc/31/18/30/583311830.db2.gz LSLZYOJSQCQGOP-DCAQKATOSA-N 2 0 199.342 0.654 20 0 ACADRP C[C@@H]([NH3+])CN(C)Cc1ccc(N)nc1 863651759 583311924 /nfs/dbraw/zinc/31/19/24/583311924.db2.gz MBUWRASVZPDDJL-MRVPVSSYSA-N 2 0 194.282 0.443 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CCC[NH2+]C1 863569817 583312086 /nfs/dbraw/zinc/31/20/86/583312086.db2.gz QARAMCBOJSMWMT-GHMZBOCLSA-N 3 0 199.342 0.655 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CC[NH2+]C1 863569633 583312116 /nfs/dbraw/zinc/31/21/16/583312116.db2.gz 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20 0 ACADRP CC(C)C[NH2+][C@@H](C)CC[NH3+] 123619597 490028603 /nfs/dbraw/zinc/02/86/03/490028603.db2.gz WSPIQQDCJGZQAD-QMMMGPOBSA-N 2 0 144.262 0.969 20 0 ACADRP CC1CC([NH2+]CCN2CC[NH2+]CC2)C1 123608685 490028810 /nfs/dbraw/zinc/02/88/10/490028810.db2.gz GCHVICVQIQEFBF-UHFFFAOYSA-N 2 0 197.326 0.280 20 0 ACADRP C[NH+](C)CCC[NH2+]CC1=CCCOC1 124622731 490031342 /nfs/dbraw/zinc/03/13/42/490031342.db2.gz ZIBUJQMJVIRXRA-UHFFFAOYSA-N 2 0 198.310 0.874 20 0 ACADRP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 126137416 490035862 /nfs/dbraw/zinc/03/58/62/490035862.db2.gz VTGQBTQBKYNELX-GARJFASQSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 126137284 490036142 /nfs/dbraw/zinc/03/61/42/490036142.db2.gz VTGQBTQBKYNELX-HBNTYKKESA-N 2 0 198.310 0.584 20 0 ACADRP CC(C)C[NH2+]C[C@@](C)(O)C[NH+](C)C 127776961 490043179 /nfs/dbraw/zinc/04/31/79/490043179.db2.gz WIKBPULEXTWGPC-SNVBAGLBSA-N 2 0 188.315 0.545 20 0 ACADRP CC(C)C[NH2+]C[C@](C)(O)C[NH+](C)C 127776729 490043187 /nfs/dbraw/zinc/04/31/87/490043187.db2.gz WIKBPULEXTWGPC-JTQLQIEISA-N 2 0 188.315 0.545 20 0 ACADRP C[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)CC[N@@H+]1C 129449008 490050743 /nfs/dbraw/zinc/05/07/43/490050743.db2.gz FHDXFTMLTYIDBI-AEJSXWLSSA-N 2 0 186.299 0.440 20 0 ACADRP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 129448797 490051005 /nfs/dbraw/zinc/05/10/05/490051005.db2.gz FHDXFTMLTYIDBI-BBBLOLIVSA-N 2 0 186.299 0.440 20 0 ACADRP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 129448412 490051325 /nfs/dbraw/zinc/05/13/25/490051325.db2.gz FHDXFTMLTYIDBI-OPRDCNLKSA-N 2 0 186.299 0.440 20 0 ACADRP C[C@H]1C[C@H]([NH2+]C[C@@H](C)O)CC[N@@H+]1C 129448595 490051422 /nfs/dbraw/zinc/05/14/22/490051422.db2.gz FHDXFTMLTYIDBI-IVZWLZJFSA-N 2 0 186.299 0.440 20 0 ACADRP C[C@@H]1C[C@@H]([NH2+]CCCO)CC[N@@H+]1C 129540040 490051762 /nfs/dbraw/zinc/05/17/62/490051762.db2.gz ONTFEXJMQASZAR-ZJUUUORDSA-N 2 0 186.299 0.441 20 0 ACADRP COCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 129564927 490051776 /nfs/dbraw/zinc/05/17/76/490051776.db2.gz QLEQBCXJVJFZPE-ZJUUUORDSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@H]1C[C@H]([NH2+]CCCO)CC[N@@H+]1C 129539836 490051906 /nfs/dbraw/zinc/05/19/06/490051906.db2.gz ONTFEXJMQASZAR-VHSXEESVSA-N 2 0 186.299 0.441 20 0 ACADRP COCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 129564506 490051986 /nfs/dbraw/zinc/05/19/86/490051986.db2.gz QLEQBCXJVJFZPE-NXEZZACHSA-N 2 0 186.299 0.705 20 0 ACADRP COCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 129565181 490052302 /nfs/dbraw/zinc/05/23/02/490052302.db2.gz QLEQBCXJVJFZPE-UWVGGRQHSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@H]1C[C@@H]([NH2+]CCCO)CC[N@@H+]1C 129540256 490052468 /nfs/dbraw/zinc/05/24/68/490052468.db2.gz ONTFEXJMQASZAR-UWVGGRQHSA-N 2 0 186.299 0.441 20 0 ACADRP C[C@@H]1C[C@H]([NH2+]CCCO)CC[N@@H+]1C 129539630 490052502 /nfs/dbraw/zinc/05/25/02/490052502.db2.gz ONTFEXJMQASZAR-NXEZZACHSA-N 2 0 186.299 0.441 20 0 ACADRP COCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 129564700 490052540 /nfs/dbraw/zinc/05/25/40/490052540.db2.gz 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WNWSIUGDIIPHNH-QWRGUYRKSA-N 2 0 199.342 0.655 20 0 ACADRP C[C@H]([NH3+])CC(=O)NC1(C[NH3+])CCCC1 380151810 490141385 /nfs/dbraw/zinc/14/13/85/490141385.db2.gz XYRKMLMMFXMRJP-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP CCO[C@@H]1C[N@H+](CC2CC2)C[C@H]1C[NH3+] 405764975 490150062 /nfs/dbraw/zinc/15/00/62/490150062.db2.gz IEAPDSIRTMCCBD-GHMZBOCLSA-N 2 0 198.310 0.692 20 0 ACADRP C[C@H]([NH3+])CN(C)CC(C)(C)[NH3+] 22949921 491021048 /nfs/dbraw/zinc/02/10/48/491021048.db2.gz UHTPGKUYXRRECD-ZETCQYMHSA-N 2 0 159.277 0.003 20 0 ACADRP C[C@@H]([NH3+])CN(C)CC(C)(C)[NH3+] 22949920 491021070 /nfs/dbraw/zinc/02/10/70/491021070.db2.gz UHTPGKUYXRRECD-SSDOTTSWSA-N 2 0 159.277 0.003 20 0 ACADRP CC(C)([NH3+])CNCc1cccnc1 34187722 491021120 /nfs/dbraw/zinc/02/11/20/491021120.db2.gz FQNGSJPAKOGLEQ-UHFFFAOYSA-N 2 0 179.267 0.909 20 0 ACADRP CC(C)(O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 86237143 491028767 /nfs/dbraw/zinc/02/87/67/491028767.db2.gz ILSJTULGVFXSIF-UWVGGRQHSA-N 2 0 198.310 0.299 20 0 ACADRP 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CC(C)(O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 86237139 491028808 /nfs/dbraw/zinc/02/88/08/491028808.db2.gz ILSJTULGVFXSIF-AOOOYVTPSA-N 2 0 198.310 0.299 20 0 ACADRP CCOCC[N@H+](C)CC(C)(C)C[NH3+] 86638146 491029133 /nfs/dbraw/zinc/02/91/33/491029133.db2.gz ABAYVEPSJQWNMG-UHFFFAOYSA-N 2 0 188.315 0.940 20 0 ACADRP CC1(C)CC[N@H+](CCOCC[NH3+])C1 87255250 491030056 /nfs/dbraw/zinc/03/00/56/491030056.db2.gz YBVBVGSRYBYZJB-UHFFFAOYSA-N 2 0 186.299 0.694 20 0 ACADRP CC(C)([NH3+])C[NH2+]C[C@@]1(C)CCCO1 87255507 491030080 /nfs/dbraw/zinc/03/00/80/491030080.db2.gz QNTVMRDXCANMQJ-SNVBAGLBSA-N 2 0 186.299 0.882 20 0 ACADRP CC(C)([NH3+])C[NH2+]C[C@]1(C)CCCO1 87255508 491030189 /nfs/dbraw/zinc/03/01/89/491030189.db2.gz QNTVMRDXCANMQJ-JTQLQIEISA-N 2 0 186.299 0.882 20 0 ACADRP FCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 88026424 491032745 /nfs/dbraw/zinc/03/27/45/491032745.db2.gz VTAKDFTVQYKNBP-IUCAKERBSA-N 2 0 172.247 0.497 20 0 ACADRP FCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 88026425 491032783 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C[C@H](CCO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 223307430 491041267 /nfs/dbraw/zinc/04/12/67/491041267.db2.gz SLXOGKSCUFXXLY-BBBLOLIVSA-N 2 0 186.299 0.617 20 0 ACADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 223307308 491041340 /nfs/dbraw/zinc/04/13/40/491041340.db2.gz SLXOGKSCUFXXLY-OPRDCNLKSA-N 2 0 186.299 0.617 20 0 ACADRP C1COC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 227474430 491043693 /nfs/dbraw/zinc/04/36/93/491043693.db2.gz MXNZHXREOZAGCF-GARJFASQSA-N 2 0 196.294 0.317 20 0 ACADRP CC[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 229414474 491045288 /nfs/dbraw/zinc/04/52/88/491045288.db2.gz FRVIPQKVPUVSED-AXFHLTTASA-N 2 0 198.310 0.299 20 0 ACADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CCOC1 250760060 491045823 /nfs/dbraw/zinc/04/58/23/491045823.db2.gz REGLROYNZZMBOS-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP CC[C@](C)(O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 229414498 491045307 /nfs/dbraw/zinc/04/53/07/491045307.db2.gz FRVIPQKVPUVSED-MXWKQRLJSA-N 2 0 198.310 0.299 20 0 ACADRP 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491054045 /nfs/dbraw/zinc/05/40/45/491054045.db2.gz FHHAQHPELZTTNS-ZJUUUORDSA-N 2 0 195.266 0.196 20 0 ACADRP C[C@@H]1C[N@H+](CCn2ccnc2)C[C@H]1O 306630462 491054060 /nfs/dbraw/zinc/05/40/60/491054060.db2.gz FHHAQHPELZTTNS-NXEZZACHSA-N 2 0 195.266 0.196 20 0 ACADRP C[C@H]1C[N@H+](CCn2ccnc2)C[C@@H]1O 306630463 491054175 /nfs/dbraw/zinc/05/41/75/491054175.db2.gz FHHAQHPELZTTNS-UWVGGRQHSA-N 2 0 195.266 0.196 20 0 ACADRP CN(C[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 306545127 491052937 /nfs/dbraw/zinc/05/29/37/491052937.db2.gz VOYXZBHFCSKFGU-SNVBAGLBSA-N 2 0 197.326 0.280 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 306545123 491052970 /nfs/dbraw/zinc/05/29/70/491052970.db2.gz VOYXZBHFCSKFGU-JTQLQIEISA-N 2 0 197.326 0.280 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 307682334 491067401 /nfs/dbraw/zinc/06/74/01/491067401.db2.gz FEFRNPVEBZLCFO-HBNTYKKESA-N 2 0 197.326 0.265 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 307682333 491067430 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CC[NH+](CC)CCNC1=[NH+]CCN1C 379487822 697896475 /nfs/dbraw/zinc/89/64/75/697896475.db2.gz LKHNSRVHRRISCL-UHFFFAOYSA-N 2 0 198.314 0.219 20 0 ACADRP Cn1nccc1C[NH2+]CCC(C)(C)[NH3+] 379532646 697898238 /nfs/dbraw/zinc/89/82/38/697898238.db2.gz JQCXEOVYJFYQCM-UHFFFAOYSA-N 2 0 196.298 0.637 20 0 ACADRP Cn1cc(C[NH2+]CCC(C)(C)[NH3+])cn1 379565646 697899524 /nfs/dbraw/zinc/89/95/24/697899524.db2.gz BZXUFMXMEQNYBN-UHFFFAOYSA-N 2 0 196.298 0.637 20 0 ACADRP COCCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 379598199 697903552 /nfs/dbraw/zinc/90/35/52/697903552.db2.gz HBGXKGHYCXGCSH-WDEREUQCSA-N 2 0 198.310 0.564 20 0 ACADRP CCNC(=[NH2+])NCC[NH2+]C(C)(C)C 379611313 697904864 /nfs/dbraw/zinc/90/48/64/697904864.db2.gz UHOYIEYFVKSYSN-UHFFFAOYSA-N 2 0 186.303 0.508 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H](C[NH3+])C1 379647753 697907921 /nfs/dbraw/zinc/90/79/21/697907921.db2.gz ZYYZXHFUHNXGLP-JTQLQIEISA-N 3 0 185.315 0.267 20 0 ACADRP C[NH2+]CCCN1CCC[C@H](C[NH3+])C1 379647754 697907964 /nfs/dbraw/zinc/90/79/64/697907964.db2.gz ZYYZXHFUHNXGLP-SNVBAGLBSA-N 3 0 185.315 0.267 20 0 ACADRP C[NH2+]CCCN1C[C@H](C)[NH2+][C@@H](C)C1 379665488 697909392 /nfs/dbraw/zinc/90/93/92/697909392.db2.gz WAZRHHSWCASJAJ-UWVGGRQHSA-N 2 0 185.315 0.278 20 0 ACADRP C[NH2+]CCCN1C[C@@H](C)[NH2+][C@H](C)C1 379665487 697909454 /nfs/dbraw/zinc/90/94/54/697909454.db2.gz WAZRHHSWCASJAJ-NXEZZACHSA-N 2 0 185.315 0.278 20 0 ACADRP C[NH2+]CCCN1C[C@H](C)[NH2+][C@H](C)C1 379665483 697909476 /nfs/dbraw/zinc/90/94/76/697909476.db2.gz WAZRHHSWCASJAJ-AOOOYVTPSA-N 2 0 185.315 0.278 20 0 ACADRP Cc1ccccc1CNC(C[NH3+])C[NH3+] 380095357 697910509 /nfs/dbraw/zinc/91/05/09/697910509.db2.gz OCQSEMZLXTXRLT-UHFFFAOYSA-N 2 0 193.294 0.371 20 0 ACADRP [NH3+]CC(C[NH3+])NCc1ccccc1F 380256644 697911138 /nfs/dbraw/zinc/91/11/38/697911138.db2.gz QNWPLSAJXFWNRD-UHFFFAOYSA-N 2 0 197.257 0.201 20 0 ACADRP [NH3+]CC(C[NH3+])NCc1ccc(F)cc1 380220333 697911242 /nfs/dbraw/zinc/91/12/42/697911242.db2.gz JCABKJJKZVAPCO-UHFFFAOYSA-N 2 0 197.257 0.201 20 0 ACADRP CN(C(=O)CC[NH3+])C1CCC([NH3+])CC1 380217274 697911286 /nfs/dbraw/zinc/91/12/86/697911286.db2.gz INTYYUKBGJYOMM-UHFFFAOYSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@H](NC(C[NH3+])C[NH3+])c1ccccc1 380228786 697911512 /nfs/dbraw/zinc/91/15/12/697911512.db2.gz KWIWJKBSBXAOOD-VIFPVBQESA-N 2 0 193.294 0.623 20 0 ACADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccccc1 380228784 697911515 /nfs/dbraw/zinc/91/15/15/697911515.db2.gz KWIWJKBSBXAOOD-SECBINFHSA-N 2 0 193.294 0.623 20 0 ACADRP CCN(C)C[C@H](O)C[N@H+]1C[C@H]2C[C@H]2C1 380395235 697912466 /nfs/dbraw/zinc/91/24/66/697912466.db2.gz JBHMZNJDIUTXOV-AXFHLTTASA-N 2 0 198.310 0.251 20 0 ACADRP FCCC[NH2+][C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 382265509 697921831 /nfs/dbraw/zinc/92/18/31/697921831.db2.gz XZJKFWNYNAUZQF-LADJIXMOSA-N 2 0 198.285 0.932 20 0 ACADRP FCCC[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 382265524 697921891 /nfs/dbraw/zinc/92/18/91/697921891.db2.gz XZJKFWNYNAUZQF-OGBGREFGSA-N 2 0 198.285 0.932 20 0 ACADRP FCCC[NH2+][C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 382265512 697921909 /nfs/dbraw/zinc/92/19/09/697921909.db2.gz XZJKFWNYNAUZQF-MFDAYCCISA-N 2 0 198.285 0.932 20 0 ACADRP Cn1cncc1C[NH2+]CCC(C)(C)[NH3+] 384352810 697929782 /nfs/dbraw/zinc/92/97/82/697929782.db2.gz FAAPWELZEZCWRZ-UHFFFAOYSA-N 2 0 196.298 0.637 20 0 ACADRP CC[C@H](O)C[N@H+](C)C1CC([NH3+])C1 384738569 697931093 /nfs/dbraw/zinc/93/10/93/697931093.db2.gz LJKDJBKFGYVWOI-HACHORDNSA-N 2 0 172.272 0.179 20 0 ACADRP C[C@H](O)CC[N@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 384910282 697932040 /nfs/dbraw/zinc/93/20/40/697932040.db2.gz PTNJXFGHSVPOAO-UKKRHICBSA-N 2 0 198.310 0.249 20 0 ACADRP C[C@@H](O)CC[N@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 384910285 697932108 /nfs/dbraw/zinc/93/21/08/697932108.db2.gz PTNJXFGHSVPOAO-ZNSHCXBVSA-N 2 0 198.310 0.249 20 0 ACADRP CN(C)[C@H]1[C@@H]2C[N@@H+](CCCCO)C[C@@H]21 384915785 697932201 /nfs/dbraw/zinc/93/22/01/697932201.db2.gz QLSBJGAVVZZWBC-URLYPYJESA-N 2 0 198.310 0.251 20 0 ACADRP CC(C)([NH3+])CC[NH2+]C1CCC([NH3+])CC1 389238505 698005562 /nfs/dbraw/zinc/00/55/62/698005562.db2.gz XBMYQWZBTCWBPE-UHFFFAOYSA-N 3 0 199.342 0.973 20 0 ACADRP C[NH2+]CCN(C)CC1CC[NH2+]CC1 389240633 698006175 /nfs/dbraw/zinc/00/61/75/698006175.db2.gz YEKGQTITXPQBAX-UHFFFAOYSA-N 2 0 185.315 0.137 20 0 ACADRP Cc1n[nH]cc1C[NH2+]CCC(C)(C)[NH3+] 389302414 698008407 /nfs/dbraw/zinc/00/84/07/698008407.db2.gz JYHLKVNCWSBSRE-UHFFFAOYSA-N 2 0 196.298 0.935 20 0 ACADRP [NH3+][C@@H]1CC[C@H](C[N@H+](CCO)C2CC2)C1 389717413 698010361 /nfs/dbraw/zinc/01/03/61/698010361.db2.gz OKFFIKDVOVOOKD-VHSXEESVSA-N 2 0 198.310 0.571 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@H]1NCCC[NH+](C)C 396543497 698036085 /nfs/dbraw/zinc/03/60/85/698036085.db2.gz BHIIOCCDSLNTIA-WDEREUQCSA-N 2 0 199.342 0.668 20 0 ACADRP C[C@H]1[NH2+]CCC[C@@H]1NCCC[NH+](C)C 396543492 698036124 /nfs/dbraw/zinc/03/61/24/698036124.db2.gz BHIIOCCDSLNTIA-MNOVXSKESA-N 2 0 199.342 0.668 20 0 ACADRP C[C@H]1[NH2+]CCC[C@H]1NCCC[NH+](C)C 396543489 698036342 /nfs/dbraw/zinc/03/63/42/698036342.db2.gz BHIIOCCDSLNTIA-GHMZBOCLSA-N 2 0 199.342 0.668 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCC[NH+](C)C 396543494 698036465 /nfs/dbraw/zinc/03/64/65/698036465.db2.gz BHIIOCCDSLNTIA-QWRGUYRKSA-N 2 0 199.342 0.668 20 0 ACADRP COC[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 397982681 698040065 /nfs/dbraw/zinc/04/00/65/698040065.db2.gz XTCAXGYEDFZEML-SECBINFHSA-N 2 0 184.283 0.492 20 0 ACADRP COC[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 397982683 698040272 /nfs/dbraw/zinc/04/02/72/698040272.db2.gz XTCAXGYEDFZEML-VIFPVBQESA-N 2 0 184.283 0.492 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCOC[C@@H](C)C1 399189796 698043167 /nfs/dbraw/zinc/04/31/67/698043167.db2.gz VLLPJLYOKMYGFV-JTQLQIEISA-N 2 0 186.299 0.564 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCOC[C@H](C)C1 399189798 698043284 /nfs/dbraw/zinc/04/32/84/698043284.db2.gz VLLPJLYOKMYGFV-SNVBAGLBSA-N 2 0 186.299 0.564 20 0 ACADRP COC1CC(C[N@@H+]2CCC[NH2+]CC2)C1 705494952 698052754 /nfs/dbraw/zinc/05/27/54/698052754.db2.gz OTSAAGVLQSFUDQ-UHFFFAOYSA-N 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198.314 0.606 20 0 ACADRP CNC(=[NH2+])NCC(C)(C)[NH+](C)C 52036291 343298547 /nfs/dbraw/zinc/29/85/47/343298547.db2.gz FHYFFDCBZAPXDO-UHFFFAOYSA-N 2 0 172.276 0.070 20 0 ACADRP CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 52035710 343298183 /nfs/dbraw/zinc/29/81/83/343298183.db2.gz HHWFNFMITVHSTH-MRVPVSSYSA-N 2 0 184.287 0.072 20 0 ACADRP [NH3+]CCC1CC[NH+](CCO)CC1 69729960 343438268 /nfs/dbraw/zinc/43/82/68/343438268.db2.gz SZFPHVVXIVBBOO-UHFFFAOYSA-N 2 0 172.272 0.040 20 0 ACADRP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCOC2)CC1 69625333 343427394 /nfs/dbraw/zinc/42/73/94/343427394.db2.gz ACJIDXJWMPZPET-ONGXEEELSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCOC2)CC1 69625329 343427754 /nfs/dbraw/zinc/42/77/54/343427754.db2.gz ACJIDXJWMPZPET-GXSJLCMTSA-N 2 0 198.310 0.835 20 0 ACADRP CCOCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 83825803 343625069 /nfs/dbraw/zinc/62/50/69/343625069.db2.gz SKVMGEYZSYGKFB-QWRGUYRKSA-N 2 0 198.310 0.564 20 0 ACADRP C[NH2+][C@H]1CCCC[C@H]1C[NH3+] 84214715 343631822 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CC[N@H+](C)CC(C)(C)C[NH3+] 51214949 167139091 /nfs/dbraw/zinc/13/90/91/167139091.db2.gz LJIAOLDHWUGOCU-UHFFFAOYSA-N 2 0 144.262 0.923 20 0 ACADRP C[C@@H](C[NH3+])[C@@]1(O)CCC[N@H+](C)C1 134369968 343941991 /nfs/dbraw/zinc/94/19/91/343941991.db2.gz JGGMOTDWKCWWNG-DTWKUNHWSA-N 2 0 172.272 0.038 20 0 ACADRP CC[NH+](CC)CC[C@@H]([NH3+])CO 70884219 167165585 /nfs/dbraw/zinc/16/55/85/167165585.db2.gz HUZMUKSSVRFAOQ-MRVPVSSYSA-N 2 0 160.261 0.038 20 0 ACADRP CC[NH+](CC)CCCN1CC[C@H]([NH3+])C1 33427011 167165876 /nfs/dbraw/zinc/16/58/76/167165876.db2.gz OLXKGGMIPLKKSM-NSHDSACASA-N 2 0 199.342 0.751 20 0 ACADRP CC[NH+](CC)CC[C@H]([NH3+])CO 70884215 167167024 /nfs/dbraw/zinc/16/70/24/167167024.db2.gz HUZMUKSSVRFAOQ-QMMMGPOBSA-N 2 0 160.261 0.038 20 0 ACADRP CC[NH+](CC)CCCNC(=[NH2+])NC 52019518 167167048 /nfs/dbraw/zinc/16/70/48/167167048.db2.gz XKJLGAMXJNOJNO-UHFFFAOYSA-N 2 0 186.303 0.462 20 0 ACADRP CC[NH+](CC)CCNC(=[NH2+])NC 52019361 167167168 /nfs/dbraw/zinc/16/71/68/167167168.db2.gz 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/nfs/dbraw/zinc/21/83/96/167218396.db2.gz WHRYQWABDSUHAO-BDAKNGLRSA-N 2 0 154.257 0.548 20 0 ACADRP CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306356145 167219310 /nfs/dbraw/zinc/21/93/10/167219310.db2.gz WHRYQWABDSUHAO-RKDXNWHRSA-N 2 0 154.257 0.548 20 0 ACADRP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 117450478 167219655 /nfs/dbraw/zinc/21/96/55/167219655.db2.gz XMSRLZMBRAOAFU-JGVFFNPUSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 107932634 167219730 /nfs/dbraw/zinc/21/97/30/167219730.db2.gz QJPWMYOOXIVHFE-HTQZYQBOSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1CC[C@@H](NC2C[NH2+]C2)[C@H](C)C1 335526103 167219935 /nfs/dbraw/zinc/21/99/35/167219935.db2.gz UKTVWDLZCQKQAZ-MWLCHTKSSA-N 2 0 197.326 0.278 20 0 ACADRP CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306356144 167221438 /nfs/dbraw/zinc/22/14/38/167221438.db2.gz WHRYQWABDSUHAO-IUCAKERBSA-N 2 0 154.257 0.548 20 0 ACADRP CC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 117450481 167221595 /nfs/dbraw/zinc/22/15/95/167221595.db2.gz XMSRLZMBRAOAFU-YUMQZZPRSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306356143 167221792 /nfs/dbraw/zinc/22/17/92/167221792.db2.gz WHRYQWABDSUHAO-DTWKUNHWSA-N 2 0 154.257 0.548 20 0 ACADRP CC[N@@H+]1CC[C@H](NC2C[NH2+]C2)[C@@H](C)C1 335526105 167222168 /nfs/dbraw/zinc/22/21/68/167222168.db2.gz UKTVWDLZCQKQAZ-ONGXEEELSA-N 2 0 197.326 0.278 20 0 ACADRP CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 228988360 167222288 /nfs/dbraw/zinc/22/22/88/167222288.db2.gz JAGRDVPVTXDGFA-IUCAKERBSA-N 2 0 156.273 0.923 20 0 ACADRP CC[N@@H+]1CC[C@H](NC2C[NH2+]C2)[C@H](C)C1 335526101 167222944 /nfs/dbraw/zinc/22/29/44/167222944.db2.gz UKTVWDLZCQKQAZ-KOLCDFICSA-N 2 0 197.326 0.278 20 0 ACADRP CC[N@@H+]1CC[C@H]2NCCO[C@H]2C1 238854917 167223026 /nfs/dbraw/zinc/22/30/26/167223026.db2.gz PNEKHLPPHFHBOC-BDAKNGLRSA-N 2 0 170.256 0.069 20 0 ACADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH3+] 307294007 167223804 /nfs/dbraw/zinc/22/38/04/167223804.db2.gz NACCVIKRGWXZSS-MNOVXSKESA-N 2 0 197.326 0.504 20 0 ACADRP CC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49708942 167224326 /nfs/dbraw/zinc/22/43/26/167224326.db2.gz XMSRLZMBRAOAFU-SFYZADRCSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 107932632 167225155 /nfs/dbraw/zinc/22/51/55/167225155.db2.gz QJPWMYOOXIVHFE-SFYZADRCSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122336189 167226246 /nfs/dbraw/zinc/22/62/46/167226246.db2.gz MICJMLXGMQQEPG-JGVFFNPUSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1C[C@H](C[NH3+])C2(CCOCC2)C1 335397080 167227985 /nfs/dbraw/zinc/22/79/85/167227985.db2.gz UTSFFEZDTGGREI-JTQLQIEISA-N 2 0 198.310 0.694 20 0 ACADRP CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 122335935 167228028 /nfs/dbraw/zinc/22/80/28/167228028.db2.gz MICJMLXGMQQEPG-YUMQZZPRSA-N 2 0 142.246 0.675 20 0 ACADRP CC[N@@H+]1C[C@@H](C[NH3+])C2(CCOCC2)C1 335397081 167229452 /nfs/dbraw/zinc/22/94/52/167229452.db2.gz UTSFFEZDTGGREI-SNVBAGLBSA-N 2 0 198.310 0.694 20 0 ACADRP CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 52043903 167229845 /nfs/dbraw/zinc/22/98/45/167229845.db2.gz XDKHWYXAIUWRLW-SECBINFHSA-N 2 0 198.314 0.462 20 0 ACADRP CCNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 52042192 167230111 /nfs/dbraw/zinc/23/01/11/167230111.db2.gz QVYXWXNUMNBEMY-MRVPVSSYSA-N 2 0 184.287 0.072 20 0 ACADRP CCNC(=[NH2+])NCC[NH+]1CCCCC1 52043891 167230129 /nfs/dbraw/zinc/23/01/29/167230129.db2.gz GVQMMPUUISUJCL-UHFFFAOYSA-N 2 0 198.314 0.606 20 0 ACADRP CCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 52042180 167230479 /nfs/dbraw/zinc/23/04/79/167230479.db2.gz OVLWHAXDFZVGPF-SECBINFHSA-N 2 0 198.314 0.462 20 0 ACADRP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 52043901 167230586 /nfs/dbraw/zinc/23/05/86/167230586.db2.gz XDKHWYXAIUWRLW-VIFPVBQESA-N 2 0 198.314 0.462 20 0 ACADRP CCNC(=[NH2+])NCCC[NH+](C)C 52041366 167230691 /nfs/dbraw/zinc/23/06/91/167230691.db2.gz INCAFNPBGNVTRP-UHFFFAOYSA-N 2 0 172.276 0.072 20 0 ACADRP CCNC(=[NH2+])NCC(C)(C)[NH+](C)C 52044948 167230975 /nfs/dbraw/zinc/23/09/75/167230975.db2.gz VSAZPTLPPVYSGL-UHFFFAOYSA-N 2 0 186.303 0.460 20 0 ACADRP CCNC(=[NH2+])NCC[NH+](CC)CC 52040795 167231002 /nfs/dbraw/zinc/23/10/02/167231002.db2.gz SRDMRSQPYWISEK-UHFFFAOYSA-N 2 0 186.303 0.462 20 0 ACADRP CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 52042178 167231017 /nfs/dbraw/zinc/23/10/17/167231017.db2.gz OVLWHAXDFZVGPF-VIFPVBQESA-N 2 0 198.314 0.462 20 0 ACADRP CCNC(=[NH2+])NCCCC[NH+](C)C 52044057 167231079 /nfs/dbraw/zinc/23/10/79/167231079.db2.gz MWZYSKRLSITAIW-UHFFFAOYSA-N 2 0 186.303 0.462 20 0 ACADRP CCNC(=[NH2+])NCC1CC[NH+](C)CC1 52044654 167231094 /nfs/dbraw/zinc/23/10/94/167231094.db2.gz XHRZIQUCHHTLFH-UHFFFAOYSA-N 2 0 198.314 0.462 20 0 ACADRP CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 52042191 167231657 /nfs/dbraw/zinc/23/16/57/167231657.db2.gz QVYXWXNUMNBEMY-QMMMGPOBSA-N 2 0 184.287 0.072 20 0 ACADRP C[C@H](C[NH3+])[C@]1(O)CCC[N@H+](C)C1 134369948 343942033 /nfs/dbraw/zinc/94/20/33/343942033.db2.gz JGGMOTDWKCWWNG-BDAKNGLRSA-N 2 0 172.272 0.038 20 0 ACADRP C[C@@H](C[NH3+])[C@]1(O)CCC[N@H+](C)C1 134369927 343942052 /nfs/dbraw/zinc/94/20/52/343942052.db2.gz JGGMOTDWKCWWNG-IUCAKERBSA-N 2 0 172.272 0.038 20 0 ACADRP CC[NH2+]CC1CC[NH2+]CC1 40409203 167262511 /nfs/dbraw/zinc/26/25/11/167262511.db2.gz RJASJOJQSLXLNG-UHFFFAOYSA-N 2 0 142.246 0.596 20 0 ACADRP CC[NH2+]CC1([NH3+])CCCC1 40409371 167263769 /nfs/dbraw/zinc/26/37/69/167263769.db2.gz XKVQUNHGJHUEKP-UHFFFAOYSA-N 2 0 142.246 0.867 20 0 ACADRP CC[NH2+]CCC1CC[NH2+]CC1 40409399 167263883 /nfs/dbraw/zinc/26/38/83/167263883.db2.gz CFSNUYGAXDZGNG-UHFFFAOYSA-N 2 0 156.273 0.986 20 0 ACADRP CC[NH2+]C[C@@H]1CCC[NH2+]C1 40409207 167270812 /nfs/dbraw/zinc/27/08/12/167270812.db2.gz NINGQYMIHSFHQL-QMMMGPOBSA-N 2 0 142.246 0.596 20 0 ACADRP CC[NH2+]C[C@H]1CCC[NH2+]C1 40409211 167275464 /nfs/dbraw/zinc/27/54/64/167275464.db2.gz NINGQYMIHSFHQL-MRVPVSSYSA-N 2 0 142.246 0.596 20 0 ACADRP CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 49694165 167289981 /nfs/dbraw/zinc/28/99/81/167289981.db2.gz DZKKDDDFPLHBOB-DTWKUNHWSA-N 2 0 156.273 0.936 20 0 ACADRP CC[NH2+][C@@H]1CC[NH2+]CC1(C)C 34370944 167290842 /nfs/dbraw/zinc/29/08/42/167290842.db2.gz WQXHWNIFQVJVSZ-MRVPVSSYSA-N 2 0 156.273 0.984 20 0 ACADRP CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 49694166 167302086 /nfs/dbraw/zinc/30/20/86/167302086.db2.gz DZKKDDDFPLHBOB-IUCAKERBSA-N 2 0 156.273 0.936 20 0 ACADRP CC[NH2+][C@H]1CC[NH2+]CC1(C)C 34370945 167302227 /nfs/dbraw/zinc/30/22/27/167302227.db2.gz WQXHWNIFQVJVSZ-QMMMGPOBSA-N 2 0 156.273 0.984 20 0 ACADRP CCOC(=O)CC[N@H+](C)CCC[NH3+] 71048780 167331584 /nfs/dbraw/zinc/33/15/84/167331584.db2.gz XQZMOBBMNDZZBP-UHFFFAOYSA-N 2 0 188.271 0.220 20 0 ACADRP CCOC1CC[NH+](CCC[NH3+])CC1 40678443 167383672 /nfs/dbraw/zinc/38/36/72/167383672.db2.gz QYYADZIPRWVZBX-UHFFFAOYSA-N 2 0 186.299 0.836 20 0 ACADRP CCOCCC[N@@H+]1CC[C@H](C[NH3+])C1 11891418 167384606 /nfs/dbraw/zinc/38/46/06/167384606.db2.gz JPSMGPFJFXLBLX-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP CCOCCC[N@@H+]1CC[C@@H](C[NH3+])C1 11891415 167385554 /nfs/dbraw/zinc/38/55/54/167385554.db2.gz JPSMGPFJFXLBLX-JTQLQIEISA-N 2 0 186.299 0.694 20 0 ACADRP CCOCCC[NH+]1CCC([NH3+])CC1 19802547 167385690 /nfs/dbraw/zinc/38/56/90/167385690.db2.gz CNJXFEGLQWFILE-UHFFFAOYSA-N 2 0 186.299 0.836 20 0 ACADRP CCOCCC[N@H+](C)CCC[NH3+] 49805201 167386394 /nfs/dbraw/zinc/38/63/94/167386394.db2.gz HBNYIVBSPZTVEK-UHFFFAOYSA-N 2 0 174.288 0.694 20 0 ACADRP CCOCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49711396 167387474 /nfs/dbraw/zinc/38/74/74/167387474.db2.gz RUCPSNHUSMRJBW-VHSXEESVSA-N 2 0 186.299 0.835 20 0 ACADRP CCOCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 49711394 167387598 /nfs/dbraw/zinc/38/75/98/167387598.db2.gz RUCPSNHUSMRJBW-UWVGGRQHSA-N 2 0 186.299 0.835 20 0 ACADRP CCOCC[NH+]1CCC([NH3+])CC1 35358774 167388794 /nfs/dbraw/zinc/38/87/94/167388794.db2.gz SAZMSEHVGNUVKH-UHFFFAOYSA-N 2 0 172.272 0.446 20 0 ACADRP CC[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 40407911 167474173 /nfs/dbraw/zinc/47/41/73/167474173.db2.gz PFSDAHRTEXBUPK-RNFRBKRXSA-N 2 0 130.235 0.722 20 0 ACADRP CC[C@@H](O)C[NH2+]CCCC[NH+](C)C 45697119 167536888 /nfs/dbraw/zinc/53/68/88/167536888.db2.gz CORDYSQIEPMENI-SNVBAGLBSA-N 2 0 188.315 0.689 20 0 ACADRP C[NH+](C)CCC[NH2+]C1CC1 37478533 167834131 /nfs/dbraw/zinc/83/41/31/167834131.db2.gz MFHQVTHYVRBQGH-UHFFFAOYSA-N 2 0 142.246 0.690 20 0 ACADRP CN(CC[NH3+])[C@@H]1CCC[NH2+]CC1 306976159 167878146 /nfs/dbraw/zinc/87/81/46/167878146.db2.gz AEINZIWCLDPKTE-SECBINFHSA-N 2 0 171.288 0.019 20 0 ACADRP C[NH+]1CCC(C2([NH3+])CC2)CC1 82843701 167900497 /nfs/dbraw/zinc/90/04/97/167900497.db2.gz UUFCQNMUNTZZKA-UHFFFAOYSA-N 2 0 154.257 0.820 20 0 ACADRP CN1CC[N@H+](C)[C@H](C2CC[NH2+]CC2)C1 82384818 167915953 /nfs/dbraw/zinc/91/59/53/167915953.db2.gz VHZSNVUQNLCBHV-NSHDSACASA-N 2 0 197.326 0.232 20 0 ACADRP CNC(=[NH2+])NCC1CC[NH+](C)CC1 52036117 167948710 /nfs/dbraw/zinc/94/87/10/167948710.db2.gz AKLAPUVQUJESEK-UHFFFAOYSA-N 2 0 184.287 0.072 20 0 ACADRP C[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 35240305 168005927 /nfs/dbraw/zinc/00/59/27/168005927.db2.gz KEXJRIODOMAVJI-VHSXEESVSA-N 2 0 186.299 0.299 20 0 ACADRP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 61146817 168006404 /nfs/dbraw/zinc/00/64/04/168006404.db2.gz MFYVFUXWWWGCEN-QWRGUYRKSA-N 2 0 198.310 0.564 20 0 ACADRP C[NH2+]C[C@@H]1CC[N@H+](CC2CC2)C1 53010255 168006755 /nfs/dbraw/zinc/00/67/55/168006755.db2.gz DVJPXDCPRKTUIQ-JTQLQIEISA-N 2 0 168.284 0.938 20 0 ACADRP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 42390682 168007200 /nfs/dbraw/zinc/00/72/00/168007200.db2.gz REGLROYNZZMBOS-QWRGUYRKSA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]C[C@@H]1CC[N@H+](CCCOC)C1 11891874 168007687 /nfs/dbraw/zinc/00/76/87/168007687.db2.gz KBZMLXBADQBRGX-JTQLQIEISA-N 2 0 186.299 0.564 20 0 ACADRP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCOC1 42390686 168013096 /nfs/dbraw/zinc/01/30/96/168013096.db2.gz REGLROYNZZMBOS-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)O)C1 40601581 168013299 /nfs/dbraw/zinc/01/32/99/168013299.db2.gz YQDWMMXSWMNKJO-NXEZZACHSA-N 2 0 186.299 0.299 20 0 ACADRP C[NH2+]C[C@H]1CC[N@H+](CCCOC)C1 11891878 168013752 /nfs/dbraw/zinc/01/37/52/168013752.db2.gz KBZMLXBADQBRGX-SNVBAGLBSA-N 2 0 186.299 0.564 20 0 ACADRP C[NH2+]C[C@H]1CC[N@H+](CC2CC2)C1 53010257 168013770 /nfs/dbraw/zinc/01/37/70/168013770.db2.gz DVJPXDCPRKTUIQ-SNVBAGLBSA-N 2 0 168.284 0.938 20 0 ACADRP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 61146818 168014429 /nfs/dbraw/zinc/01/44/29/168014429.db2.gz MFYVFUXWWWGCEN-MNOVXSKESA-N 2 0 198.310 0.564 20 0 ACADRP C[NH2+][C@@H](C)CC(C)(C)[NH2+]C 98209775 168031157 /nfs/dbraw/zinc/03/11/57/168031157.db2.gz MPWWFSNPRUYAHQ-ZETCQYMHSA-N 2 0 144.262 0.982 20 0 in-vitro ACADRP C[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](C)CC1 43810401 168040821 /nfs/dbraw/zinc/04/08/21/168040821.db2.gz PZJRNNRTLWRBGH-MNOVXSKESA-N 2 0 197.326 0.374 20 0 ACADRP C[NH2+][C@@H]1CCCN(CC(C)(C)[NH3+])C1 306215594 168041217 /nfs/dbraw/zinc/04/12/17/168041217.db2.gz OQZRMRPKPXVUNE-SECBINFHSA-N 2 0 185.315 0.408 20 0 ACADRP C[NH2+][C@@H]1CCN(CC(C)(C)[NH3+])C1 307154896 168041368 /nfs/dbraw/zinc/04/13/68/168041368.db2.gz DJHRHRUBGSZRGK-MRVPVSSYSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](C)CC1 43810405 168041372 /nfs/dbraw/zinc/04/13/72/168041372.db2.gz PZJRNNRTLWRBGH-GHMZBOCLSA-N 2 0 197.326 0.374 20 0 ACADRP C[NH2+][C@@H]1CCCN(C[C@@H](C)[NH3+])C1 306783424 168041445 /nfs/dbraw/zinc/04/14/45/168041445.db2.gz GPUKAIGSJDSSBG-RKDXNWHRSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+][C@@H]1CCCN(C[C@H](C)[NH3+])C1 306783419 168041465 /nfs/dbraw/zinc/04/14/65/168041465.db2.gz GPUKAIGSJDSSBG-DTWKUNHWSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+][C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 307191915 168042546 /nfs/dbraw/zinc/04/25/46/168042546.db2.gz LAETVBXXCROAKN-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 307191918 168042817 /nfs/dbraw/zinc/04/28/17/168042817.db2.gz LAETVBXXCROAKN-WDEREUQCSA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@@H]1CCN(CC2CC[NH2+]CC2)C1 307369872 168043209 /nfs/dbraw/zinc/04/32/09/168043209.db2.gz RLTVBHNDNZWUHJ-LLVKDONJSA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@H](C)CC(C)(C)[NH2+]C 98209776 168048349 /nfs/dbraw/zinc/04/83/49/168048349.db2.gz MPWWFSNPRUYAHQ-SSDOTTSWSA-N 2 0 144.262 0.982 20 0 in-vitro ACADRP C[NH2+][C@H]1CCCN(C[C@H](C)[NH3+])C1 306783421 168056540 /nfs/dbraw/zinc/05/65/40/168056540.db2.gz GPUKAIGSJDSSBG-IUCAKERBSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+][C@H]1CCN(CC2CC[NH2+]CC2)C1 307369873 168056669 /nfs/dbraw/zinc/05/66/69/168056669.db2.gz RLTVBHNDNZWUHJ-NSHDSACASA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@H]1CCCN(C[C@@H](C)[NH3+])C1 306783415 168056789 /nfs/dbraw/zinc/05/67/89/168056789.db2.gz GPUKAIGSJDSSBG-BDAKNGLRSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+][C@H]1CCN(CC(C)(C)[NH3+])C1 307154897 168056964 /nfs/dbraw/zinc/05/69/64/168056964.db2.gz DJHRHRUBGSZRGK-QMMMGPOBSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](C)CC1 43810403 168057610 /nfs/dbraw/zinc/05/76/10/168057610.db2.gz PZJRNNRTLWRBGH-QWRGUYRKSA-N 2 0 197.326 0.374 20 0 ACADRP C[NH2+][C@H]1CCC[C@H]1N1CC[NH+](C)CC1 43810407 168058043 /nfs/dbraw/zinc/05/80/43/168058043.db2.gz PZJRNNRTLWRBGH-WDEREUQCSA-N 2 0 197.326 0.374 20 0 ACADRP C[NH2+][C@H]1CCCN(CC(C)(C)[NH3+])C1 306215595 168058093 /nfs/dbraw/zinc/05/80/93/168058093.db2.gz OQZRMRPKPXVUNE-VIFPVBQESA-N 2 0 185.315 0.408 20 0 ACADRP C[NH2+][C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 307191916 168058838 /nfs/dbraw/zinc/05/88/38/168058838.db2.gz LAETVBXXCROAKN-MNOVXSKESA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 307191917 168060122 /nfs/dbraw/zinc/06/01/22/168060122.db2.gz LAETVBXXCROAKN-QWRGUYRKSA-N 2 0 197.326 0.280 20 0 ACADRP COC1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 51889472 168145827 /nfs/dbraw/zinc/14/58/27/168145827.db2.gz OBNVLJHHRXGQNF-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP COC1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 51889474 168146154 /nfs/dbraw/zinc/14/61/54/168146154.db2.gz OBNVLJHHRXGQNF-JTQLQIEISA-N 2 0 198.310 0.707 20 0 ACADRP COCCCC[N@@H+]1CC[C@@H](C[NH3+])C1 44659244 168152266 /nfs/dbraw/zinc/15/22/66/168152266.db2.gz YAPDEAISPVGOBM-JTQLQIEISA-N 2 0 186.299 0.694 20 0 ACADRP COCCCC[N@@H+]1CC[C@H](C[NH3+])C1 44659242 168152390 /nfs/dbraw/zinc/15/23/90/168152390.db2.gz YAPDEAISPVGOBM-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP COCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 77273237 168154170 /nfs/dbraw/zinc/15/41/70/168154170.db2.gz MLEMDRWKUZIKCM-SNVBAGLBSA-N 2 0 186.299 0.694 20 0 ACADRP COCCC[N@@H+]1CC[C@H](CC[NH3+])C1 77273232 168154177 /nfs/dbraw/zinc/15/41/77/168154177.db2.gz MLEMDRWKUZIKCM-JTQLQIEISA-N 2 0 186.299 0.694 20 0 ACADRP COCCCN(C)CC[NH2+]C(C)C 42691127 168154796 /nfs/dbraw/zinc/15/47/96/168154796.db2.gz NRFJZCRKANQAFV-UHFFFAOYSA-N 2 0 188.315 0.953 20 0 ACADRP COCCC[NH2+]CC1CC[NH2+]CC1 41203579 168155436 /nfs/dbraw/zinc/15/54/36/168155436.db2.gz QJUNJYVGFMTPIV-UHFFFAOYSA-N 2 0 186.299 0.612 20 0 ACADRP COCC[N@H+](C)C1CC[NH2+]CC1 36301406 168157480 /nfs/dbraw/zinc/15/74/80/168157480.db2.gz UOZUNDRVESAZLS-UHFFFAOYSA-N 2 0 172.272 0.317 20 0 ACADRP COCC[N@H+](C)CC1CC[NH2+]CC1 42460232 168157902 /nfs/dbraw/zinc/15/79/02/168157902.db2.gz LSQUVQMUKWSYJZ-UHFFFAOYSA-N 2 0 186.299 0.564 20 0 ACADRP COCC[N@H+](C)CC(C)(C)C[NH3+] 51258770 168158647 /nfs/dbraw/zinc/15/86/47/168158647.db2.gz WXXPKUAQXCQLFM-UHFFFAOYSA-N 2 0 174.288 0.550 20 0 ACADRP COCC[N@H+](C)C1CCC([NH3+])CC1 55144501 168158875 /nfs/dbraw/zinc/15/88/75/168158875.db2.gz COBJNYCSOXLADY-UHFFFAOYSA-N 2 0 186.299 0.835 20 0 ACADRP COCC[N@H+](CCC[NH3+])CC(C)C 42367554 168159520 /nfs/dbraw/zinc/15/95/20/168159520.db2.gz NWWLNQIOWALEKK-UHFFFAOYSA-N 2 0 188.315 0.940 20 0 ACADRP COCC[N@@H+](C1CC[NH2+]CC1)C1CC1 43501183 168160275 /nfs/dbraw/zinc/16/02/75/168160275.db2.gz SQFIBQYWWAXRLM-UHFFFAOYSA-N 2 0 198.310 0.849 20 0 ACADRP COCC[N@H+](C)C[C@@H]1CCC[NH2+]C1 42460235 168160405 /nfs/dbraw/zinc/16/04/05/168160405.db2.gz NILKBRYMIYMNFF-SNVBAGLBSA-N 2 0 186.299 0.564 20 0 ACADRP COCC[N@H+](C)C[C@@H]1CC[NH2+]C1 51889615 168160940 /nfs/dbraw/zinc/16/09/40/168160940.db2.gz JKQCQKAXLIEUNG-SECBINFHSA-N 2 0 172.272 0.174 20 0 ACADRP COCC[NH+]1CCC(CC[NH3+])CC1 42427577 168161045 /nfs/dbraw/zinc/16/10/45/168161045.db2.gz ZKDXVYGVKANUOM-UHFFFAOYSA-N 2 0 186.299 0.694 20 0 ACADRP COCC[N@H+](C)C[C@H]1CCC[NH2+]C1 42460238 168161114 /nfs/dbraw/zinc/16/11/14/168161114.db2.gz NILKBRYMIYMNFF-JTQLQIEISA-N 2 0 186.299 0.564 20 0 ACADRP COCC[N@H+](C)C[C@H]1CC[NH2+]C1 51889617 168161122 /nfs/dbraw/zinc/16/11/22/168161122.db2.gz JKQCQKAXLIEUNG-VIFPVBQESA-N 2 0 172.272 0.174 20 0 ACADRP COCC[N@@H+]1CCC2(CC[NH2+]CC2)C1 82531204 168161527 /nfs/dbraw/zinc/16/15/27/168161527.db2.gz IVHZWXXSSFMFQM-UHFFFAOYSA-N 2 0 198.310 0.708 20 0 ACADRP COCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 49709698 168162446 /nfs/dbraw/zinc/16/24/46/168162446.db2.gz LLUJHUFFIZRCBN-RKDXNWHRSA-N 2 0 172.272 0.444 20 0 ACADRP COCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709672 168162536 /nfs/dbraw/zinc/16/25/36/168162536.db2.gz UKFAZMDFAPUDIN-BDAKNGLRSA-N 2 0 172.272 0.302 20 0 ACADRP 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/nfs/dbraw/zinc/16/38/69/168163869.db2.gz LLUJHUFFIZRCBN-BDAKNGLRSA-N 2 0 172.272 0.444 20 0 ACADRP COCC[N@@H+]1CC[C@@H](CC[NH3+])C1 77265006 168164196 /nfs/dbraw/zinc/16/41/96/168164196.db2.gz XRPREZNITYLITR-SECBINFHSA-N 2 0 172.272 0.304 20 0 ACADRP COCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 20418071 168164444 /nfs/dbraw/zinc/16/44/44/168164444.db2.gz NSZZAWSGNSNXDO-SNVBAGLBSA-N 2 0 184.283 0.318 20 0 ACADRP COCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709700 168164683 /nfs/dbraw/zinc/16/46/83/168164683.db2.gz LLUJHUFFIZRCBN-DTWKUNHWSA-N 2 0 172.272 0.444 20 0 ACADRP COCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306188072 168164795 /nfs/dbraw/zinc/16/47/95/168164795.db2.gz MWKQYZNBAHYBEZ-ZJUUUORDSA-N 2 0 184.283 0.174 20 0 ACADRP COCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306188071 168165003 /nfs/dbraw/zinc/16/50/03/168165003.db2.gz MWKQYZNBAHYBEZ-VHSXEESVSA-N 2 0 184.283 0.174 20 0 ACADRP COCC[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 20523792 168165900 /nfs/dbraw/zinc/16/59/00/168165900.db2.gz PDGACVDKUAMLNN-FGWVZKOKSA-N 2 0 198.310 0.848 20 0 ACADRP COCC[C@@H](C)[N@@H+]1CCC[NH2+]CC1 45044512 168172973 /nfs/dbraw/zinc/17/29/73/168172973.db2.gz VYGMNWUQWICANJ-SNVBAGLBSA-N 2 0 186.299 0.707 20 0 ACADRP COCC[C@@H](C)[NH+]1CCC([NH3+])CC1 45044481 168173538 /nfs/dbraw/zinc/17/35/38/168173538.db2.gz GEMDNQIWWPETKU-SECBINFHSA-N 2 0 186.299 0.835 20 0 ACADRP COCC[C@H](C)[NH+]1CCC([NH3+])CC1 45044479 168173631 /nfs/dbraw/zinc/17/36/31/168173631.db2.gz GEMDNQIWWPETKU-VIFPVBQESA-N 2 0 186.299 0.835 20 0 ACADRP COC[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] 51251362 168180061 /nfs/dbraw/zinc/18/00/61/168180061.db2.gz ZNYHDOMOKOGVSM-SECBINFHSA-N 2 0 188.315 0.938 20 0 ACADRP COC[C@@H](C)[NH+]1CCC(C[NH3+])CC1 53199502 168180425 /nfs/dbraw/zinc/18/04/25/168180425.db2.gz JFCOSTILNXVYGC-SECBINFHSA-N 2 0 186.299 0.692 20 0 ACADRP COC[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 19427190 168180549 /nfs/dbraw/zinc/18/05/49/168180549.db2.gz WPGHBCAGTGVITA-BDAKNGLRSA-N 2 0 172.272 0.302 20 0 ACADRP COC[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 306242296 168180669 /nfs/dbraw/zinc/18/06/69/168180669.db2.gz AGHKGSKUNMSCMU-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP COC[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 34651130 168180724 /nfs/dbraw/zinc/18/07/24/168180724.db2.gz WPGHBCAGTGVITA-RKDXNWHRSA-N 2 0 172.272 0.302 20 0 ACADRP COC[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 306242299 168181970 /nfs/dbraw/zinc/18/19/70/168181970.db2.gz AGHKGSKUNMSCMU-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP COC[C@H](C)[NH+]1CCC(C[NH3+])CC1 53199500 168186873 /nfs/dbraw/zinc/18/68/73/168186873.db2.gz JFCOSTILNXVYGC-VIFPVBQESA-N 2 0 186.299 0.692 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 306242300 168187520 /nfs/dbraw/zinc/18/75/20/168187520.db2.gz AGHKGSKUNMSCMU-QWRGUYRKSA-N 2 0 198.310 0.707 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 19427192 168188304 /nfs/dbraw/zinc/18/83/04/168188304.db2.gz WPGHBCAGTGVITA-IUCAKERBSA-N 2 0 172.272 0.302 20 0 ACADRP COC[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] 51251361 168188325 /nfs/dbraw/zinc/18/83/25/168188325.db2.gz ZNYHDOMOKOGVSM-VIFPVBQESA-N 2 0 188.315 0.938 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 306242301 168188406 /nfs/dbraw/zinc/18/84/06/168188406.db2.gz AGHKGSKUNMSCMU-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP COC[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 34651129 168188794 /nfs/dbraw/zinc/18/87/94/168188794.db2.gz WPGHBCAGTGVITA-DTWKUNHWSA-N 2 0 172.272 0.302 20 0 ACADRP COC[C@H](C)[NH2+][C@H]1CCCN(C)C1 53196548 168189496 /nfs/dbraw/zinc/18/94/96/168189496.db2.gz MCUPZDXBIVVDKP-UWVGGRQHSA-N 2 0 186.299 0.705 20 0 ACADRP COC[C@H](C)[NH2+][C@@H]1CCCN(C)C1 53196544 168190446 /nfs/dbraw/zinc/19/04/46/168190446.db2.gz MCUPZDXBIVVDKP-VHSXEESVSA-N 2 0 186.299 0.705 20 0 ACADRP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH2+]CC1 50372119 168207336 /nfs/dbraw/zinc/20/73/36/168207336.db2.gz BXZWQLJSKCTZHS-GHMZBOCLSA-N 2 0 198.310 0.896 20 0 ACADRP CO[C@H]1CCN(C[C@@H](C)[NH3+])C1 211702984 168216214 /nfs/dbraw/zinc/21/62/14/168216214.db2.gz JAIFCBNBMNCIEQ-SFYZADRCSA-N 2 0 158.245 0.054 20 0 ACADRP CO[C@H]1CCN(C[C@H](C)[NH3+])C1 211702904 168216976 /nfs/dbraw/zinc/21/69/76/168216976.db2.gz JAIFCBNBMNCIEQ-YUMQZZPRSA-N 2 0 158.245 0.054 20 0 ACADRP CO[C@H]1CC[N@@H+](C2CCC([NH3+])CC2)C1 91692422 168217803 /nfs/dbraw/zinc/21/78/03/168217803.db2.gz NJYWMOICVCOYSG-ILDUYXDCSA-N 2 0 198.310 0.977 20 0 ACADRP C[C@@H](C[NH3+])C1(O)CC[NH+](C)CC1 82633886 168341532 /nfs/dbraw/zinc/34/15/32/168341532.db2.gz NLICXFJYIMOUGP-QMMMGPOBSA-N 2 0 172.272 0.038 20 0 ACADRP C[C@@H](CNC(N)=[NH2+])[NH+]1CCCCC1 52020052 168347949 /nfs/dbraw/zinc/34/79/49/168347949.db2.gz FQUKAOHDDPKKHD-QMMMGPOBSA-N 2 0 184.287 0.344 20 0 ACADRP C[C@@H](CNC1CC[NH+](C)CC1)[NH+](C)C 38088982 168348228 /nfs/dbraw/zinc/34/82/28/168348228.db2.gz ZPFUJGAKYUZLEW-JTQLQIEISA-N 2 0 199.342 0.620 20 0 ACADRP C[C@@H](CNC(N)=[NH2+])C[NH+]1CCCCC1 52020119 168348579 /nfs/dbraw/zinc/34/85/79/168348579.db2.gz KBMFWTORDJDXBS-VIFPVBQESA-N 2 0 198.314 0.591 20 0 ACADRP 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168359187 /nfs/dbraw/zinc/35/91/87/168359187.db2.gz URTPFNOXFKBTAU-SSDOTTSWSA-N 2 0 193.250 0.431 20 0 ACADRP C[C@@H]([NH3+])CC(=O)NC1CCC([NH3+])CC1 51694908 168359895 /nfs/dbraw/zinc/35/98/95/168359895.db2.gz WHFLYAXTPBHZOT-AFPNSQJFSA-N 2 0 199.298 0.110 20 0 ACADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH3+] 335605883 168360349 /nfs/dbraw/zinc/36/03/49/168360349.db2.gz AKISUWPHSKNSOW-BDAKNGLRSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@@H]([NH3+])C(C)(C)[NH3+] 34257476 168360573 /nfs/dbraw/zinc/36/05/73/168360573.db2.gz MIKNSPXOIZYKIT-SCSAIBSYSA-N 2 0 102.181 0.071 20 0 ACADRP C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] 335605923 168360647 /nfs/dbraw/zinc/36/06/47/168360647.db2.gz AKISUWPHSKNSOW-RKDXNWHRSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@@H]([NH3+])C1CC[NH+](CC(C)(C)[NH3+])CC1 307515546 168361135 /nfs/dbraw/zinc/36/11/35/168361135.db2.gz PDRDZKIXOIEYQH-SECBINFHSA-N 3 0 199.342 0.783 20 0 ACADRP C[C@@H]([NH3+])CN1CCCC[C@H]1C[NH3+] 306183481 168361489 /nfs/dbraw/zinc/36/14/89/168361489.db2.gz ZCLKYQPKAHRJDX-BDAKNGLRSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@@H]([NH3+])C[NH2+]C1CC1 40408322 168361507 /nfs/dbraw/zinc/36/15/07/168361507.db2.gz ZVYNOWJWZZUJGV-RXMQYKEDSA-N 2 0 114.192 0.086 20 0 ACADRP C[C@@H]([NH3+])C[NH2+]C1CCCC1 40408839 168361564 /nfs/dbraw/zinc/36/15/64/168361564.db2.gz IUCSVZIKJIVHBX-SSDOTTSWSA-N 2 0 142.246 0.866 20 0 ACADRP C[C@@H]([NH3+])CN1CCC([NH+](C)C)CC1 36191993 168361619 /nfs/dbraw/zinc/36/16/19/168361619.db2.gz UYOMHFMHINVYKL-SECBINFHSA-N 2 0 185.315 0.360 20 0 ACADRP C[C@@H]([NH3+])C[NH2+]C[C@@H]1CCCO1 40410290 168361631 /nfs/dbraw/zinc/36/16/31/168361631.db2.gz JRMDGKQJXBGKGL-SFYZADRCSA-N 2 0 158.245 0.102 20 0 ACADRP C[C@@H]([NH3+])C[NH2+]CC1CC1 38433640 168361648 /nfs/dbraw/zinc/36/16/48/168361648.db2.gz BGZWAVVQXRKCJI-ZCFIWIBFSA-N 2 0 128.219 0.333 20 0 ACADRP C[C@@H]([NH3+])C[N@@H+]1CCC2(CC[NH2+]CC2)C1 306670368 168361654 /nfs/dbraw/zinc/36/16/54/168361654.db2.gz LQNPPQUBDIREJA-SNVBAGLBSA-N 3 0 197.326 0.409 20 0 ACADRP C[C@@H]([NH3+])CN1CCCC[C@@H]1C[NH3+] 306183484 168361694 /nfs/dbraw/zinc/36/16/94/168361694.db2.gz ZCLKYQPKAHRJDX-RKDXNWHRSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@@H]([NH3+])CN1CCC([C@@H](C)[NH3+])CC1 306570531 168361842 /nfs/dbraw/zinc/36/18/42/168361842.db2.gz YXLAPOWNHPYQOC-RKDXNWHRSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@H]([NH3+])CN1CC[NH+](C(C)(C)C)CC1 48927499 168361895 /nfs/dbraw/zinc/36/18/95/168361895.db2.gz JJOJGOIQVRCZMS-SNVBAGLBSA-N 2 0 199.342 0.750 20 0 ACADRP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C 37910551 168361931 /nfs/dbraw/zinc/36/19/31/168361931.db2.gz KFLUMKISTBYCBH-HTQZYQBOSA-N 2 0 142.246 0.818 20 0 ACADRP C[C@@H]([NH3+])C[N@@H+]1CCC2(CCOCC2)C1 306367898 168362015 /nfs/dbraw/zinc/36/20/15/168362015.db2.gz APBWNKGHPHDOPS-SNVBAGLBSA-N 2 0 198.310 0.836 20 0 ACADRP C[C@@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 82478010 168362134 /nfs/dbraw/zinc/36/21/34/168362134.db2.gz ZYWRBCDLCVPRNL-SECBINFHSA-N 2 0 185.315 0.360 20 0 ACADRP C[C@@H]([NH3+])CN1CC[C@@](C)(C[NH3+])C1 307686537 168362152 /nfs/dbraw/zinc/36/21/52/168362152.db2.gz CXSAHWSHIXAQJV-BDAKNGLRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])C[NH2+]C(C)(C)C 40398100 168362313 /nfs/dbraw/zinc/36/23/13/168362313.db2.gz RIYFUBHVNKIDAB-ZCFIWIBFSA-N 2 0 130.235 0.722 20 0 ACADRP C[C@@H]([NH3+])CN1CCC[C@H](C[NH3+])C1 306614403 168362406 /nfs/dbraw/zinc/36/24/06/168362406.db2.gz AKQQHVJEWVBTQM-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])CN1CC[NH+](CC2CC2)CC1 42317782 168362415 /nfs/dbraw/zinc/36/24/15/168362415.db2.gz WCRCYOYEZQESAQ-SNVBAGLBSA-N 2 0 197.326 0.361 20 0 ACADRP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C)C1 41066915 168362627 /nfs/dbraw/zinc/36/26/27/168362627.db2.gz JQHMCFYQGIGAFV-HTQZYQBOSA-N 2 0 142.246 0.675 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1CCCOC1 82544429 168362767 /nfs/dbraw/zinc/36/27/67/168362767.db2.gz NALXKZRHALKKRV-ZJUUUORDSA-N 2 0 186.299 0.692 20 0 ACADRP C[C@@H]([NH3+])CC[NH2+]CCCC[NH3+] 6036420 168362896 /nfs/dbraw/zinc/36/28/96/168362896.db2.gz PZSFTBARUSGJTA-MRVPVSSYSA-N 3 0 159.277 0.052 20 0 ACADRP C[C@@H]([NH3+])CN(C)C1CC[NH2+]CC1 306471527 168363053 /nfs/dbraw/zinc/36/30/53/168363053.db2.gz RZIWKMPUHBJSEK-MRVPVSSYSA-N 2 0 171.288 0.017 20 0 ACADRP C[C@@H]([NH3+])CN1CC[C@@]2(CC[NH2+]C2)C1 306319700 168363140 /nfs/dbraw/zinc/36/31/40/168363140.db2.gz BKTIAJKSTZLIDV-NXEZZACHSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@@H]([NH3+])CN1CCC(C[NH3+])CC1 306366989 168363291 /nfs/dbraw/zinc/36/32/91/168363291.db2.gz BJDKNHRPZKNIRJ-MRVPVSSYSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])CN1CCC[C@@H](C[NH3+])C1 306614399 168363344 /nfs/dbraw/zinc/36/33/44/168363344.db2.gz AKQQHVJEWVBTQM-BDAKNGLRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C)CC1CC1 38000544 168363383 /nfs/dbraw/zinc/36/33/83/168363383.db2.gz QSVBCXZNVNVGJJ-SSDOTTSWSA-N 2 0 142.246 0.675 20 0 ACADRP C[C@@H]([NH3+])CN1CC[C@]2(CC[NH2+]C2)C1 306319714 168363425 /nfs/dbraw/zinc/36/34/25/168363425.db2.gz BKTIAJKSTZLIDV-ZJUUUORDSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@@H]([NH3+])CN1CC[NH+](C2CCC2)CC1 306354071 168363479 /nfs/dbraw/zinc/36/34/79/168363479.db2.gz QGQABSXPCYDRCR-SNVBAGLBSA-N 2 0 197.326 0.504 20 0 ACADRP C[C@@H]([NH3+])CN1CC[C@](C)(C[NH3+])C1 307686540 168363581 /nfs/dbraw/zinc/36/35/81/168363581.db2.gz CXSAHWSHIXAQJV-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])CN[C@@H]1CC[NH2+]CC1(C)C 335394244 168364398 /nfs/dbraw/zinc/36/43/98/168364398.db2.gz FWKWNHYQZPUTAD-RKDXNWHRSA-N 2 0 185.315 0.311 20 0 ACADRP C[C@@H]([NH3+])C[NH2+]C[C@H]1CCCO1 40410298 168365016 /nfs/dbraw/zinc/36/50/16/168365016.db2.gz JRMDGKQJXBGKGL-HTQZYQBOSA-N 2 0 158.245 0.102 20 0 ACADRP C[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC1(C)C 335394239 168365032 /nfs/dbraw/zinc/36/50/32/168365032.db2.gz FWKWNHYQZPUTAD-BDAKNGLRSA-N 2 0 185.315 0.311 20 0 ACADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH3+] 336282089 168365719 /nfs/dbraw/zinc/36/57/19/168365719.db2.gz JOKRSDSOGOCOSA-BDAKNGLRSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(C)(C)[NH3+])C1 306525759 168367466 /nfs/dbraw/zinc/36/74/66/168367466.db2.gz RGJOBGXVIIOQQQ-RKDXNWHRSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@H]([NH3+])[C@H]1CCCN(CC(C)(C)[NH3+])C1 307751631 168367578 /nfs/dbraw/zinc/36/75/78/168367578.db2.gz ORWGYXUTJLCICD-ZJUUUORDSA-N 2 0 199.342 0.783 20 0 ACADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC[NH3+])C1 307621980 168367763 /nfs/dbraw/zinc/36/77/63/168367763.db2.gz GLSAYXXKUNKCRX-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])[C@@H]1CCCN(CC(C)(C)[NH3+])C1 307751628 168368113 /nfs/dbraw/zinc/36/81/13/168368113.db2.gz ORWGYXUTJLCICD-NXEZZACHSA-N 2 0 199.342 0.783 20 0 ACADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH3+] 336282093 168368333 /nfs/dbraw/zinc/36/83/33/168368333.db2.gz JOKRSDSOGOCOSA-RKDXNWHRSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@@H]([NH3+])[C@H]1CCCN(CC[NH3+])C1 307621973 168368675 /nfs/dbraw/zinc/36/86/75/168368675.db2.gz GLSAYXXKUNKCRX-BDAKNGLRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]([NH3+])[C@H]1CCN(CC(C)(C)[NH3+])C1 306525756 168368700 /nfs/dbraw/zinc/36/87/00/168368700.db2.gz RGJOBGXVIIOQQQ-BDAKNGLRSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@H]([NH3+])c1ccc(NC(=O)C[NH3+])cc1 306766949 168371127 /nfs/dbraw/zinc/37/11/27/168371127.db2.gz XNYOPSZRHBOGEE-SSDOTTSWSA-N 2 0 193.250 0.604 20 0 ACADRP C[C@@H]([NH2+]CCO)C1CC[NH+](C)CC1 37222096 168381945 /nfs/dbraw/zinc/38/19/45/168381945.db2.gz JJDXTXCSISRTIJ-SECBINFHSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 43325176 168384371 /nfs/dbraw/zinc/38/43/71/168384371.db2.gz PJOGNWODDWTTOA-MXWKQRLJSA-N 2 0 198.310 0.896 20 0 ACADRP C[C@@H]([NH2+][C@H]1CC12CC2)C1C[NH2+]C1 335080483 168385174 /nfs/dbraw/zinc/38/51/74/168385174.db2.gz WYFRZTIMBZXIID-APPZFPTMSA-N 2 0 166.268 0.736 20 0 ACADRP C[C@@H](O)C[N@H+](C)CC(C)(C)C[NH3+] 51840425 168390514 /nfs/dbraw/zinc/39/05/14/168390514.db2.gz SLGPNBORWILFDF-MRVPVSSYSA-N 2 0 174.288 0.284 20 0 ACADRP C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 44531507 168391098 /nfs/dbraw/zinc/39/10/98/168391098.db2.gz KGCWFZQGOZYCSL-RKDXNWHRSA-N 2 0 172.272 0.038 20 0 ACADRP C[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 306546672 168393246 /nfs/dbraw/zinc/39/32/46/168393246.db2.gz BTNSPNWLRKFBLT-MNOVXSKESA-N 2 0 198.310 0.395 20 0 ACADRP C[C@@H](O)C[NH2+]CCC[NH+]1CCCC1 49332450 168394433 /nfs/dbraw/zinc/39/44/33/168394433.db2.gz WYZWNRMZMYITDN-SNVBAGLBSA-N 2 0 186.299 0.443 20 0 ACADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 306546669 168394463 /nfs/dbraw/zinc/39/44/63/168394463.db2.gz BTNSPNWLRKFBLT-GHMZBOCLSA-N 2 0 198.310 0.395 20 0 ACADRP C[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 44518022 168394557 /nfs/dbraw/zinc/39/45/57/168394557.db2.gz BGNUZVARSJYMDC-SECBINFHSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@@H](O)C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 35601444 168394575 /nfs/dbraw/zinc/39/45/75/168394575.db2.gz LRCPEKZMONCWRC-UBJLHIIHSA-N 2 0 198.310 0.582 20 0 ACADRP C[C@@H](O)C[NH2+]CCCC[NH+](C)C 45697080 168394763 /nfs/dbraw/zinc/39/47/63/168394763.db2.gz BQHXTEYKUIRKHC-SECBINFHSA-N 2 0 174.288 0.299 20 0 ACADRP C[C@@H](O)C[NH2+][C@H](C)Cn1ccnc1 49235334 168395620 /nfs/dbraw/zinc/39/56/20/168395620.db2.gz YRXZCIINBHCBLG-RKDXNWHRSA-N 2 0 183.255 0.242 20 0 ACADRP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 44536020 168396065 /nfs/dbraw/zinc/39/60/65/168396065.db2.gz XKPCLNBWQPPPTK-ZJUUUORDSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 44536024 168396476 /nfs/dbraw/zinc/39/64/76/168396476.db2.gz XKPCLNBWQPPPTK-NXEZZACHSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@@H](O)[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 306633626 168398899 /nfs/dbraw/zinc/39/88/99/168398899.db2.gz SCRCSPMQFYSASO-RKDXNWHRSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@@H](O)[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 306633623 168399314 /nfs/dbraw/zinc/39/93/14/168399314.db2.gz SCRCSPMQFYSASO-BDAKNGLRSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@@H]([C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 95829146 168405089 /nfs/dbraw/zinc/40/50/89/168405089.db2.gz WAJCBUWSSLPDAP-QWRGUYRKSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@@H]1CCN(CC[NH3+])[C@@H](C[NH3+])C1 334997844 168432050 /nfs/dbraw/zinc/43/20/50/168432050.db2.gz GACPOYWMUBNIQO-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]1CCN(CC(C)(C)[NH3+])C[C@@H]1C[NH3+] 334822802 168432664 /nfs/dbraw/zinc/43/26/64/168432664.db2.gz WLIWRASMSKGQDH-ZJUUUORDSA-N 2 0 199.342 0.640 20 0 ACADRP C[C@@H]1CCN(CC[NH3+])[C@H](C[NH3+])C1 334997841 168433012 /nfs/dbraw/zinc/43/30/12/168433012.db2.gz GACPOYWMUBNIQO-BDAKNGLRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH3+])CCC1 335024457 168434325 /nfs/dbraw/zinc/43/43/25/168434325.db2.gz OSMSALBGIZLZPO-NXEZZACHSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@@H]1CN(CC(C)(C)[NH3+])CC[C@@H]1[NH3+] 307624258 168446981 /nfs/dbraw/zinc/44/69/81/168446981.db2.gz IJQNYZONOWQLGW-BDAKNGLRSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@H]1CN(CC(C)(C)[NH3+])CC[C@H]1[NH3+] 307624261 168447705 /nfs/dbraw/zinc/44/77/05/168447705.db2.gz IJQNYZONOWQLGW-RKDXNWHRSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@H]1C[NH2+]CCN1C[C@@H]1CCC[NH2+]C1 108343941 168456271 /nfs/dbraw/zinc/45/62/71/168456271.db2.gz NLZIONCJYFJQRP-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]1C[C@@H](N2CC[NH2+]CC2)CC[NH2+]1 73657511 168466984 /nfs/dbraw/zinc/46/69/84/168466984.db2.gz VRDWEYFWNSXMFS-ZJUUUORDSA-N 2 0 183.299 0.032 20 0 ACADRP C[C@@H]1[NH2+]CCN(CCC[NH3+])[C@@H]1C 335449167 168483986 /nfs/dbraw/zinc/48/39/86/168483986.db2.gz WOLCXYGCNDLJEO-DTWKUNHWSA-N 2 0 171.288 0.017 20 0 ACADRP C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH3+] 335605913 168547224 /nfs/dbraw/zinc/54/72/24/168547224.db2.gz AKISUWPHSKNSOW-DTWKUNHWSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@H]([NH3+])CN[C@@H]1CC[NH2+]CC1(C)C 335394242 168548483 /nfs/dbraw/zinc/54/84/83/168548483.db2.gz FWKWNHYQZPUTAD-DTWKUNHWSA-N 2 0 185.315 0.311 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@@H]1C[NH3+] 306183482 168548753 /nfs/dbraw/zinc/54/87/53/168548753.db2.gz ZCLKYQPKAHRJDX-DTWKUNHWSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(C)(C)[NH3+])C1 307751630 168551646 /nfs/dbraw/zinc/55/16/46/168551646.db2.gz ORWGYXUTJLCICD-VHSXEESVSA-N 2 0 199.342 0.783 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCCN(CC[NH3+])C1 307621978 168554000 /nfs/dbraw/zinc/55/40/00/168554000.db2.gz GLSAYXXKUNKCRX-IUCAKERBSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@H]([C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 95829149 168590024 /nfs/dbraw/zinc/59/00/24/168590024.db2.gz WAJCBUWSSLPDAP-GHMZBOCLSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@H]1[C@@H](C)[NH2+]CCN1CCC[NH3+] 335449166 168676353 /nfs/dbraw/zinc/67/63/53/168676353.db2.gz WOLCXYGCNDLJEO-BDAKNGLRSA-N 2 0 171.288 0.017 20 0 ACADRP C[C@]1(CN[C@@H]2CC[NH2+]C2)CCC[NH2+]C1 334873167 168686699 /nfs/dbraw/zinc/68/66/99/168686699.db2.gz HZCLHEBCOAYHRS-MNOVXSKESA-N 2 0 197.326 0.328 20 0 ACADRP FCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306926073 169077724 /nfs/dbraw/zinc/07/77/24/169077724.db2.gz OVRMCNWKLCSFKY-VHSXEESVSA-N 2 0 186.274 0.887 20 0 ACADRP FCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306926074 169077742 /nfs/dbraw/zinc/07/77/42/169077742.db2.gz OVRMCNWKLCSFKY-ZJUUUORDSA-N 2 0 186.274 0.887 20 0 ACADRP FCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306926071 169079051 /nfs/dbraw/zinc/07/90/51/169079051.db2.gz OVRMCNWKLCSFKY-NXEZZACHSA-N 2 0 186.274 0.887 20 0 ACADRP FCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306926072 169079367 /nfs/dbraw/zinc/07/93/67/169079367.db2.gz OVRMCNWKLCSFKY-UWVGGRQHSA-N 2 0 186.274 0.887 20 0 ACADRP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 42821821 169216552 /nfs/dbraw/zinc/21/65/52/169216552.db2.gz GTNRINPZPQLIAD-MNOVXSKESA-N 2 0 198.310 0.836 20 0 ACADRP NC(=[NH2+])[C@@H]1CCC[C@H]1[NH3+] 86456432 169139342 /nfs/dbraw/zinc/13/93/42/169139342.db2.gz VRENIHDHNCMYNP-RFZPGFLSSA-N 2 0 127.191 0.050 20 0 ACADRP NC(=[NH2+])[C@@H]1CCC[C@@H]1[NH3+] 206238702 169139446 /nfs/dbraw/zinc/13/94/46/169139446.db2.gz VRENIHDHNCMYNP-UHNVWZDZSA-N 2 0 127.191 0.050 20 0 ACADRP NC(=[NH2+])c1ccc(CC[NH3+])cc1 28388020 169140745 /nfs/dbraw/zinc/14/07/45/169140745.db2.gz 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/nfs/dbraw/zinc/67/87/58/344678758.db2.gz HCWUHNPVKPVUCR-YUMQZZPRSA-N 2 0 178.239 0.287 20 0 ACADRP CO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 234855783 344729706 /nfs/dbraw/zinc/72/97/06/344729706.db2.gz BDKWGEKYWJUJLQ-LLVKDONJSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 235155608 344734470 /nfs/dbraw/zinc/73/44/70/344734470.db2.gz OVUDETBHGCFJCG-AEJSXWLSSA-N 2 0 186.299 0.569 20 0 ACADRP C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 235566995 344756023 /nfs/dbraw/zinc/75/60/23/344756023.db2.gz CRKVOTPTAUSLBV-GUBZILKMSA-N 2 0 186.299 0.284 20 0 ACADRP Cc1cn2c([nH+]1)NCC[C@@H]2C[NH3+] 235919737 344769660 /nfs/dbraw/zinc/76/96/60/344769660.db2.gz OBQBWASWELDMTA-SSDOTTSWSA-N 2 0 166.228 0.507 20 0 ACADRP Cc1cn2c([nH+]1)N[C@H](C[NH3+])CC2 235919618 344769695 /nfs/dbraw/zinc/76/96/95/344769695.db2.gz XOFGEGSCFJYJIR-ZETCQYMHSA-N 2 0 166.228 0.334 20 0 ACADRP Cc1cn2c([nH+]1)N[C@H]1CC[NH2+]C[C@@H]1C2 236045193 344771782 /nfs/dbraw/zinc/77/17/82/344771782.db2.gz 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/nfs/dbraw/zinc/93/97/41/345939741.db2.gz ODDHBHDPRRDDEP-WCBMZHEXSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@H]1CC[C@@](O)(C(C)(C)C[NH3+])C[NH2+]1 307272795 345939780 /nfs/dbraw/zinc/93/97/80/345939780.db2.gz ODDHBHDPRRDDEP-WPRPVWTQSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@@H]1CC[C@@](O)(C(C)(C)C[NH3+])C[NH2+]1 307272793 345939782 /nfs/dbraw/zinc/93/97/82/345939782.db2.gz ODDHBHDPRRDDEP-SCZZXKLOSA-N 2 0 186.299 0.474 20 0 ACADRP CN1CC[C@@](O)(C[NH2+]C2CCCC2)C1 307302366 345957242 /nfs/dbraw/zinc/95/72/42/345957242.db2.gz VENCWLSBUWWTBI-LLVKDONJSA-N 2 0 198.310 0.585 20 0 ACADRP C[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 307342673 345983203 /nfs/dbraw/zinc/98/32/03/345983203.db2.gz WBFWHVJTBIQRBM-BDAKNGLRSA-N 2 0 172.272 0.038 20 0 ACADRP C[C@H]1[NH2+]CCC[C@]1(O)C(C)(C)C[NH3+] 307489642 346071191 /nfs/dbraw/zinc/07/11/91/346071191.db2.gz FGSGOSYEOLXLKG-PSASIEDQSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@]1(O)C(C)(C)C[NH3+] 307489676 346071196 /nfs/dbraw/zinc/07/11/96/346071196.db2.gz FGSGOSYEOLXLKG-WCBMZHEXSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@H]1C[NH2+]CC[C@]1(O)C1(C[NH3+])CC1 307511779 346083622 /nfs/dbraw/zinc/08/36/22/346083622.db2.gz DMNWVMFOJATZEK-WCBMZHEXSA-N 2 0 184.283 0.086 20 0 ACADRP CC1([NH3+])CC[NH+]([C@H]2CCOC2)CC1 307711350 346197205 /nfs/dbraw/zinc/19/72/05/346197205.db2.gz SXFDVEPRZQDKOM-VIFPVBQESA-N 2 0 184.283 0.589 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCCN(CC(C)(C)[NH3+])C1 307751629 346220859 /nfs/dbraw/zinc/22/08/59/346220859.db2.gz ORWGYXUTJLCICD-UWVGGRQHSA-N 2 0 199.342 0.783 20 0 ACADRP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH3+])CCC1 335024460 346375362 /nfs/dbraw/zinc/37/53/62/346375362.db2.gz OSMSALBGIZLZPO-UWVGGRQHSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@H]([NH3+])CN[C@H]1CC[NH2+]CC1(C)C 335394243 346393786 /nfs/dbraw/zinc/39/37/86/346393786.db2.gz FWKWNHYQZPUTAD-IUCAKERBSA-N 2 0 185.315 0.311 20 0 ACADRP C[C@H]1CCC[C@@H]1[NH2+]CC1C[NH2+]C1 335551984 346404724 /nfs/dbraw/zinc/40/47/24/346404724.db2.gz NAVPKCNXCJMTFL-WPRPVWTQSA-N 2 0 168.284 0.984 20 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CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621784935 347234496 /nfs/dbraw/zinc/23/44/96/347234496.db2.gz WZGJGBWEZXAMIG-ONGXEEELSA-N 2 0 198.310 0.571 20 0 ACADRP C[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 622044330 347235546 /nfs/dbraw/zinc/23/55/46/347235546.db2.gz AWZKJKUJOWZQJG-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP C[N@@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] 629519344 347345579 /nfs/dbraw/zinc/34/55/79/347345579.db2.gz PFOFFWXGKDTJKM-MXWKQRLJSA-N 2 0 197.326 0.550 20 0 ACADRP C[C@H]1C[C@H]1C[NH2+]C1(CO)CC[NH2+]CC1 629546083 347348004 /nfs/dbraw/zinc/34/80/04/347348004.db2.gz OEQBSVCWXJDNSN-UWVGGRQHSA-N 2 0 198.310 0.347 20 0 ACADRP C[C@@H]1C[C@H]1C[NH2+]C1(CO)CC[NH2+]CC1 629546087 347348068 /nfs/dbraw/zinc/34/80/68/347348068.db2.gz OEQBSVCWXJDNSN-ZJUUUORDSA-N 2 0 198.310 0.347 20 0 ACADRP C[C@H]1C[C@@H]1C[NH2+]C1(CO)CC[NH2+]CC1 629546085 347348072 /nfs/dbraw/zinc/34/80/72/347348072.db2.gz OEQBSVCWXJDNSN-VHSXEESVSA-N 2 0 198.310 0.347 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CC[NH2+]C1 629554900 347349985 /nfs/dbraw/zinc/34/99/85/347349985.db2.gz OLWQQJLYACNUTF-AXFHLTTASA-N 2 0 197.326 0.455 20 0 ACADRP CC[N@H+](CCN)CC1CC[NH2+]CC1 629555097 347349986 /nfs/dbraw/zinc/34/99/86/347349986.db2.gz FODBBLAPHYBLKL-UHFFFAOYSA-N 2 0 185.315 0.267 20 0 ACADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccn(C)c1 629647766 347352994 /nfs/dbraw/zinc/35/29/94/347352994.db2.gz IHMGAAWAISUZGR-VIFPVBQESA-N 2 0 181.283 0.852 20 0 ACADRP C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1 629673892 347355877 /nfs/dbraw/zinc/35/58/77/347355877.db2.gz MUKKADHOQYJTIQ-GARJFASQSA-N 2 0 197.326 0.469 20 0 ACADRP C1C[C@@H](C[N@H+]2C[C@H]3COC[C@H]3C2)C[NH2+]1 634688290 347426147 /nfs/dbraw/zinc/42/61/47/347426147.db2.gz NWWOSVZHWDDVOH-MXWKQRLJSA-N 2 0 196.294 0.174 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNC[C@@H]([NH3+])C1CC1 634995828 347434525 /nfs/dbraw/zinc/43/45/25/347434525.db2.gz PUGNEUCHZNRUKM-WDEREUQCSA-N 2 0 199.342 0.544 20 0 ACADRP CC(C)[C@H](C[NH3+])CNC[C@H]([NH3+])C1CC1 634995826 347434595 /nfs/dbraw/zinc/43/45/95/347434595.db2.gz PUGNEUCHZNRUKM-MNOVXSKESA-N 2 0 199.342 0.544 20 0 ACADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC(C)(C)[NH3+] 638947764 347498134 /nfs/dbraw/zinc/49/81/34/347498134.db2.gz WWDCWDTXFIVAPN-JGVFFNPUSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 638262608 347477472 /nfs/dbraw/zinc/47/74/72/347477472.db2.gz PSSNJVAAQYLYGM-QMMMGPOBSA-N 2 0 199.298 0.064 20 0 ACADRP CC(C)([NH3+])CN1CC[C@](C)(C[NH3+])C1 306195940 351905866 /nfs/dbraw/zinc/90/58/66/351905866.db2.gz BINNURFPYZLACA-SNVBAGLBSA-N 2 0 185.315 0.394 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]1NCC[NH+]1CCCC1 643456753 352954603 /nfs/dbraw/zinc/95/46/03/352954603.db2.gz WHJMGBZSSDIRDL-GHMZBOCLSA-N 2 0 197.326 0.552 20 0 ACADRP C[C@@H](C[NH+](C)C)N[C@@H](C)[C@@H]1CCC[NH2+]1 643489231 352964556 /nfs/dbraw/zinc/96/45/56/352964556.db2.gz GATUSHIICOBQSL-DCAQKATOSA-N 2 0 199.342 0.667 20 0 ACADRP 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352971965 /nfs/dbraw/zinc/97/19/65/352971965.db2.gz MCUAQTUEZSBJLZ-QWRGUYRKSA-N 2 0 199.342 0.703 20 0 ACADRP C[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CCCO1 643498530 352971967 /nfs/dbraw/zinc/97/19/67/352971967.db2.gz RCYMKVOJILBOCK-UWVGGRQHSA-N 2 0 186.299 0.753 20 0 ACADRP C[NH2+]CCCN[C@H](C)[C@H]1CCC[NH2+]1 643498617 352971974 /nfs/dbraw/zinc/97/19/74/352971974.db2.gz MDJQWSADOBKPGF-NXEZZACHSA-N 2 0 185.315 0.326 20 0 ACADRP C[NH2+]CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 643498633 352973015 /nfs/dbraw/zinc/97/30/15/352973015.db2.gz OCMMQVVUJFKHAL-OPRDCNLKSA-N 2 0 186.299 0.751 20 0 ACADRP C[NH2+]CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 643498676 352973116 /nfs/dbraw/zinc/97/31/16/352973116.db2.gz XXLFIPGCCISWJQ-WDEREUQCSA-N 2 0 199.342 0.716 20 0 ACADRP C[NH2+]CCN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 643504440 352975192 /nfs/dbraw/zinc/97/51/92/352975192.db2.gz MBFPFQXEYHGCRU-VHSXEESVSA-N 2 0 197.326 0.421 20 0 ACADRP C[NH2+]CCN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 643504439 352975267 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/nfs/dbraw/zinc/86/06/45/409860645.db2.gz VOQILNZGAIVAJE-HLTSFMKQSA-N 2 0 172.272 0.227 20 0 ACADRP C[NH+]1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 238354853 325631935 /nfs/dbraw/zinc/63/19/35/325631935.db2.gz HUJAYOROWVAELT-IUCAKERBSA-N 2 0 154.257 0.548 20 0 ACADRP C[NH+]1C[C@@]2(C)C[NH2+]C[C@]2(C)C1 238349137 325631992 /nfs/dbraw/zinc/63/19/92/325631992.db2.gz HUJAYOROWVAELT-RKDXNWHRSA-N 2 0 154.257 0.548 20 0 ACADRP C[NH2+]C[C@@H](O)CC1(C[NH3+])CCC1 536954107 325670022 /nfs/dbraw/zinc/67/00/22/325670022.db2.gz KHBFEIILTRMRPP-QMMMGPOBSA-N 2 0 172.272 0.086 20 0 ACADRP CC(C)[C@H]1C[NH2+]CCN1C[C@@H](C)[NH3+] 530229190 325665939 /nfs/dbraw/zinc/66/59/39/325665939.db2.gz MNRRFWKZPPTHKV-NXEZZACHSA-N 2 0 185.315 0.263 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC12CC(CO1)C2 530217362 325666057 /nfs/dbraw/zinc/66/60/57/325666057.db2.gz AZUMZPFSIQEUAJ-NKVNRFPTSA-N 2 0 198.310 0.881 20 0 ACADRP CC(C)[C@@H]1C[NH2+]CCN1C[C@H](C)[NH3+] 530229191 325666173 /nfs/dbraw/zinc/66/61/73/325666173.db2.gz MNRRFWKZPPTHKV-UWVGGRQHSA-N 2 0 185.315 0.263 20 0 ACADRP CC(C)[C@H]1C[NH2+]CCN1C[C@H](C)[NH3+] 530229192 325666210 /nfs/dbraw/zinc/66/62/10/325666210.db2.gz MNRRFWKZPPTHKV-VHSXEESVSA-N 2 0 185.315 0.263 20 0 ACADRP CC[NH+]1C[C@]2(C)C[NH2+]C[C@@]2(C)C1 536954371 325670147 /nfs/dbraw/zinc/67/01/47/325670147.db2.gz LBQFQICCQSBRHA-UWVGGRQHSA-N 2 0 168.284 0.938 20 0 ACADRP C[N@H+](CCC[NH3+])CCc1ccncc1 4226738 342988799 /nfs/dbraw/zinc/98/87/99/342988799.db2.gz CBMRCRJFSQPKNV-UHFFFAOYSA-N 2 0 193.294 0.905 20 0 ACADRP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 19471969 343055462 /nfs/dbraw/zinc/05/54/62/343055462.db2.gz JQTZMNYEVFZYSZ-JTQLQIEISA-N 2 0 198.310 0.707 20 0 ACADRP CC(C)[N@@H+](C)C[C@@H](C)[NH3+] 22212708 343080755 /nfs/dbraw/zinc/08/07/55/343080755.db2.gz JGPLGXKAPTVKMX-SSDOTTSWSA-N 2 0 130.235 0.674 20 0 in-vitro ACADRP CC(C)[NH2+]CC1(O)CC[NH+](C)CC1 32007930 343096535 /nfs/dbraw/zinc/09/65/35/343096535.db2.gz NCGQJBRDXBQGNZ-UHFFFAOYSA-N 2 0 186.299 0.441 20 0 ACADRP C[C@H]([NH3+])C(C)(C)[NH3+] 34257474 343114859 /nfs/dbraw/zinc/11/48/59/343114859.db2.gz MIKNSPXOIZYKIT-BYPYZUCNSA-N 2 0 102.181 0.071 20 0 ACADRP [NH3+]CCC1CCN(CC[NH3+])CC1 34330594 343116793 /nfs/dbraw/zinc/11/67/93/343116793.db2.gz GSVWFTWEGUCFQH-UHFFFAOYSA-N 2 0 171.288 0.006 20 0 ACADRP C[C@H]1C[NH2+]C[C@H](C)C1[NH3+] 34370905 343117939 /nfs/dbraw/zinc/11/79/39/343117939.db2.gz XJSUUJDMFDMIGK-WDSKDSINSA-N 2 0 128.219 0.189 20 0 ACADRP CC(C)[NH2+]C[C@H](C)[NH3+] 34582243 343122592 /nfs/dbraw/zinc/12/25/92/343122592.db2.gz RUGMSNPOEXDQLW-LURJTMIESA-N 2 0 116.208 0.332 20 0 ACADRP C[C@@]1([NH3+])C[NH2+]CC12CC2 35000046 343127191 /nfs/dbraw/zinc/12/71/91/343127191.db2.gz SRQMXARNYUNUBM-ZCFIWIBFSA-N 2 0 126.203 0.087 20 0 ACADRP CC(C)[NH2+]C[C@H]1CCC[NH2+]1 35822546 343139723 /nfs/dbraw/zinc/13/97/23/343139723.db2.gz MPYMCBUDLMNOGT-MRVPVSSYSA-N 2 0 142.246 0.736 20 0 ACADRP CC(C)[NH+]1CCN(C[C@H](C)[NH3+])CC1 36170995 343141236 /nfs/dbraw/zinc/14/12/36/343141236.db2.gz YODFBLTZXZNUOE-JTQLQIEISA-N 2 0 185.315 0.360 20 0 ACADRP CC(C)[NH+]1CCN(C[C@@H](C)[NH3+])CC1 36170994 343141264 /nfs/dbraw/zinc/14/12/64/343141264.db2.gz YODFBLTZXZNUOE-SNVBAGLBSA-N 2 0 185.315 0.360 20 0 ACADRP C[N@@H+]1CCC[C@@]1(C)C[NH3+] 36518881 343146816 /nfs/dbraw/zinc/14/68/16/343146816.db2.gz BEGAGOQBISEITR-ZETCQYMHSA-N 2 0 128.219 0.429 20 0 ACADRP C[N@@H+]1CCC[C@]1(C)C[NH3+] 36518879 343146897 /nfs/dbraw/zinc/14/68/97/343146897.db2.gz BEGAGOQBISEITR-SSDOTTSWSA-N 2 0 128.219 0.429 20 0 ACADRP C[NH+](C)CCC[NH2+]CC1CC1 37118314 343160239 /nfs/dbraw/zinc/16/02/39/343160239.db2.gz MPTBCFICWMJUGY-UHFFFAOYSA-N 2 0 156.273 0.938 20 0 ACADRP C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 37692140 343174535 /nfs/dbraw/zinc/17/45/35/343174535.db2.gz AESMNVMLRJMXIM-UHFFFAOYSA-N 2 0 186.299 0.441 20 0 ACADRP CC[NH+]1CCC(C)([NH3+])CC1 37717062 343176711 /nfs/dbraw/zinc/17/67/11/343176711.db2.gz ZVRZABLLSMZMOH-UHFFFAOYSA-N 2 0 142.246 0.820 20 0 ACADRP C[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 37911243 343180354 /nfs/dbraw/zinc/18/03/54/343180354.db2.gz QBTHTPXBGUDRRR-NSHDSACASA-N 2 0 197.326 0.376 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C)CC1CC1 38000543 343183059 /nfs/dbraw/zinc/18/30/59/343183059.db2.gz QSVBCXZNVNVGJJ-ZETCQYMHSA-N 2 0 142.246 0.675 20 0 ACADRP CCC[NH2+]CC(C)(C)[NH3+] 39249722 343208373 /nfs/dbraw/zinc/20/83/73/343208373.db2.gz CBAWVZZTVWKUSC-UHFFFAOYSA-N 2 0 130.235 0.723 20 0 ACADRP CC(C)[NH2+]C[C@@H](C)[NH3+] 40398218 343217309 /nfs/dbraw/zinc/21/73/09/343217309.db2.gz RUGMSNPOEXDQLW-ZCFIWIBFSA-N 2 0 116.208 0.332 20 0 ACADRP CC(C)[NH2+]C[C@@H]1CCC[NH2+]1 40398192 343217319 /nfs/dbraw/zinc/21/73/19/343217319.db2.gz MPYMCBUDLMNOGT-QMMMGPOBSA-N 2 0 142.246 0.736 20 0 ACADRP C[C@H]([NH3+])C[NH2+]C(C)(C)C 40398098 343217460 /nfs/dbraw/zinc/21/74/60/343217460.db2.gz RIYFUBHVNKIDAB-LURJTMIESA-N 2 0 130.235 0.722 20 0 ACADRP C[NH2+]CC1([NH3+])CCCC1 40409178 343217733 /nfs/dbraw/zinc/21/77/33/343217733.db2.gz ROTGIOILURTPEX-UHFFFAOYSA-N 2 0 128.219 0.477 20 0 ACADRP C[C@H]([NH3+])C[NH2+]C1CC1 40408318 343217946 /nfs/dbraw/zinc/21/79/46/343217946.db2.gz ZVYNOWJWZZUJGV-YFKPBYRVSA-N 2 0 114.192 0.086 20 0 ACADRP C[C@H]([NH3+])C[NH2+]C1CCCC1 40408835 343217963 /nfs/dbraw/zinc/21/79/63/343217963.db2.gz IUCSVZIKJIVHBX-ZETCQYMHSA-N 2 0 142.246 0.866 20 0 ACADRP C[C@H]1CC[N@H+](CCC[NH3+])C1 40717019 343221617 /nfs/dbraw/zinc/22/16/17/343221617.db2.gz IPHJNMHOLSTWLX-QMMMGPOBSA-N 2 0 142.246 0.677 20 0 ACADRP C[N@@H+]1CCCN(CC(C)(C)[NH3+])CC1 40925834 343224010 /nfs/dbraw/zinc/22/40/10/343224010.db2.gz BAOJZAPJLVEOGB-UHFFFAOYSA-N 2 0 185.315 0.361 20 0 ACADRP C[NH+](C)C1CCN(CC(C)(C)[NH3+])CC1 40925993 343224074 /nfs/dbraw/zinc/22/40/74/343224074.db2.gz RBDGEDBCESXCCE-UHFFFAOYSA-N 2 0 199.342 0.750 20 0 ACADRP CN(CC(C)(C)[NH3+])C1CC1 40925866 343224284 /nfs/dbraw/zinc/22/42/84/343224284.db2.gz XXQIMEYBHUGFHU-UHFFFAOYSA-N 2 0 142.246 0.818 20 0 ACADRP C[N@H+](C[C@@H]1CCOC1)C1CC[NH2+]CC1 41046046 343226630 /nfs/dbraw/zinc/22/66/30/343226630.db2.gz JPTFWORAIDNOEE-JTQLQIEISA-N 2 0 198.310 0.707 20 0 ACADRP C[N@H+](C[C@H]1CCOC1)C1CC[NH2+]CC1 41046047 343226767 /nfs/dbraw/zinc/22/67/67/343226767.db2.gz JPTFWORAIDNOEE-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 41066916 343230490 /nfs/dbraw/zinc/23/04/90/343230490.db2.gz JQHMCFYQGIGAFV-JGVFFNPUSA-N 2 0 142.246 0.675 20 0 ACADRP C[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 42278935 343239478 /nfs/dbraw/zinc/23/94/78/343239478.db2.gz ZDVBGVVCMDGVQJ-NSHDSACASA-N 2 0 197.326 0.233 20 0 ACADRP C[C@H]([NH3+])C(=O)Nc1cccc(C[NH3+])c1 50285683 343281043 /nfs/dbraw/zinc/28/10/43/343281043.db2.gz URTPFNOXFKBTAU-ZETCQYMHSA-N 2 0 193.250 0.431 20 0 ACADRP CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 51691818 343291603 /nfs/dbraw/zinc/29/16/03/343291603.db2.gz SWQYDYDSCKZTCR-QMMMGPOBSA-N 2 0 196.298 0.214 20 0 ACADRP CNC(=[NH2+])NC[C@H]1CC[N@@H+](C(C)C)C1 51691834 343291690 /nfs/dbraw/zinc/29/16/90/343291690.db2.gz OGLQGAAJJYJFOL-SECBINFHSA-N 2 0 198.314 0.460 20 0 ACADRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC)C1 51691807 343291761 /nfs/dbraw/zinc/29/17/61/343291761.db2.gz OSCLTZODZHNOLB-MRVPVSSYSA-N 2 0 184.287 0.072 20 0 ACADRP CNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 51691820 343291831 /nfs/dbraw/zinc/29/18/31/343291831.db2.gz SWQYDYDSCKZTCR-MRVPVSSYSA-N 2 0 196.298 0.214 20 0 ACADRP CC[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 51694895 343292154 /nfs/dbraw/zinc/29/21/54/343292154.db2.gz FPFYOLRCFYXNSE-HACHORDNSA-N 2 0 199.298 0.110 20 0 ACADRP CC[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 51694897 343292186 /nfs/dbraw/zinc/29/21/86/343292186.db2.gz FPFYOLRCFYXNSE-AMDVSUOASA-N 2 0 199.298 0.110 20 0 ACADRP CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 51782931 343293055 /nfs/dbraw/zinc/29/30/55/343293055.db2.gz SVNRFWFRTFOJAM-NSHDSACASA-N 2 0 197.326 0.376 20 0 ACADRP CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 51782929 343293173 /nfs/dbraw/zinc/29/31/73/343293173.db2.gz SVNRFWFRTFOJAM-LLVKDONJSA-N 2 0 197.326 0.376 20 0 ACADRP CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCCC1 52020059 343298211 /nfs/dbraw/zinc/29/82/11/343298211.db2.gz BHEIMDLQEVBXEO-SECBINFHSA-N 2 0 198.314 0.605 20 0 ACADRP C[C@H](CNC(N)=[NH2+])C[NH+]1CCCCC1 52020121 343298189 /nfs/dbraw/zinc/29/81/89/343298189.db2.gz KBMFWTORDJDXBS-SECBINFHSA-N 2 0 198.314 0.591 20 0 ACADRP C[C@H](CNC(N)=[NH2+])[NH+]1CCCCC1 52020054 343298191 /nfs/dbraw/zinc/29/81/91/343298191.db2.gz FQUKAOHDDPKKHD-MRVPVSSYSA-N 2 0 184.287 0.344 20 0 ACADRP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 52042198 343299124 /nfs/dbraw/zinc/29/91/24/343299124.db2.gz PNFRMAOGIHFJLE-VIFPVBQESA-N 2 0 198.314 0.460 20 0 ACADRP CC(C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 52042199 343299258 /nfs/dbraw/zinc/29/92/58/343299258.db2.gz PNFRMAOGIHFJLE-SECBINFHSA-N 2 0 198.314 0.460 20 0 ACADRP C[NH+](C)CC(C)(C)CNC(N)=[NH2+] 53278613 343314025 /nfs/dbraw/zinc/31/40/25/343314025.db2.gz WPUBIUHYLHINGD-UHFFFAOYSA-N 2 0 172.276 0.057 20 0 ACADRP [NH3+]CCC[NH+]1CCC(CCO)CC1 59339979 343344017 /nfs/dbraw/zinc/34/40/17/343344017.db2.gz GKVINAFHJXHVDS-UHFFFAOYSA-N 2 0 186.299 0.430 20 0 ACADRP C[NH2+]CC(C)(C)C[NH3+] 60080455 343350562 /nfs/dbraw/zinc/35/05/62/343350562.db2.gz RHVOQYGAPIWRIQ-UHFFFAOYSA-N 2 0 116.208 0.191 20 0 in-vitro ACADRP [NH3+]CC[C@@H]1CCCN(CC[NH3+])C1 60163032 343351415 /nfs/dbraw/zinc/35/14/15/343351415.db2.gz QBKKHPZZBIPVIV-VIFPVBQESA-N 2 0 171.288 0.006 20 0 ACADRP [NH3+]CC[C@H]1CCCN(CC[NH3+])C1 60163029 343351448 /nfs/dbraw/zinc/35/14/48/343351448.db2.gz QBKKHPZZBIPVIV-SECBINFHSA-N 2 0 171.288 0.006 20 0 ACADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCOC1 61146791 343354909 /nfs/dbraw/zinc/35/49/09/343354909.db2.gz WXGRUSPLFGOHNL-OUAUKWLOSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCOC1 61146793 343355103 /nfs/dbraw/zinc/35/51/03/343355103.db2.gz WXGRUSPLFGOHNL-VWYCJHECSA-N 2 0 198.310 0.835 20 0 ACADRP C[N@@H+](CC1CCC1)C[C@H](O)C[NH3+] 61455927 343356869 /nfs/dbraw/zinc/35/68/69/343356869.db2.gz BXOJCCUCPPFORC-SECBINFHSA-N 2 0 172.272 0.038 20 0 ACADRP C[N@@H+](CC1CCC1)C[C@@H](O)C[NH3+] 61455929 343356941 /nfs/dbraw/zinc/35/69/41/343356941.db2.gz BXOJCCUCPPFORC-VIFPVBQESA-N 2 0 172.272 0.038 20 0 ACADRP COCCC[N@H+](C)CC(C)(C)C[NH3+] 62035372 343370352 /nfs/dbraw/zinc/37/03/52/343370352.db2.gz YCXMJUGGDKIZIR-UHFFFAOYSA-N 2 0 188.315 0.940 20 0 ACADRP C[C@H]1CC[C@@H](N2CC[NH+](C)CC2)C[NH2+]1 62948571 343387283 /nfs/dbraw/zinc/38/72/83/343387283.db2.gz ISTGZHPAICDVPU-WDEREUQCSA-N 2 0 197.326 0.374 20 0 ACADRP C[C@@H]1CC[C@@H](N2CC[NH+](C)CC2)C[NH2+]1 62948570 343387372 /nfs/dbraw/zinc/38/73/72/343387372.db2.gz ISTGZHPAICDVPU-GHMZBOCLSA-N 2 0 197.326 0.374 20 0 ACADRP C[C@H]1CC[C@H](N2CC[NH+](C)CC2)C[NH2+]1 62948569 343387436 /nfs/dbraw/zinc/38/74/36/343387436.db2.gz ISTGZHPAICDVPU-QWRGUYRKSA-N 2 0 197.326 0.374 20 0 ACADRP C[C@@H]1CC[C@H](N2CC[NH+](C)CC2)C[NH2+]1 62948568 343387448 /nfs/dbraw/zinc/38/74/48/343387448.db2.gz ISTGZHPAICDVPU-MNOVXSKESA-N 2 0 197.326 0.374 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCC2)C1 62979168 343389450 /nfs/dbraw/zinc/38/94/50/343389450.db2.gz YECANGSENAPVNI-QWRGUYRKSA-N 2 0 197.326 0.504 20 0 ACADRP OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 63200158 343406065 /nfs/dbraw/zinc/40/60/65/343406065.db2.gz YVHAILMKRXIIBJ-NSHDSACASA-N 2 0 198.310 0.443 20 0 ACADRP OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 63200156 343406086 /nfs/dbraw/zinc/40/60/86/343406086.db2.gz YVHAILMKRXIIBJ-LLVKDONJSA-N 2 0 198.310 0.443 20 0 ACADRP C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63196206 343406119 /nfs/dbraw/zinc/40/61/19/343406119.db2.gz OVUDETBHGCFJCG-IVZWLZJFSA-N 2 0 186.299 0.569 20 0 ACADRP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 69606368 343426203 /nfs/dbraw/zinc/42/62/03/343426203.db2.gz WIMPYKLBRLTVOJ-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 69606367 343426231 /nfs/dbraw/zinc/42/62/31/343426231.db2.gz WIMPYKLBRLTVOJ-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]CC1CC[NH+]([C@H]2CCOC2)CC1 69606397 343426241 /nfs/dbraw/zinc/42/62/41/343426241.db2.gz JCTJJPHOESHNAL-NSHDSACASA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]CC1CC[NH+]([C@@H]2CCOC2)CC1 69606395 343426445 /nfs/dbraw/zinc/42/64/45/343426445.db2.gz JCTJJPHOESHNAL-LLVKDONJSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCOC2)CC1 69625330 343427414 /nfs/dbraw/zinc/42/74/14/343427414.db2.gz ACJIDXJWMPZPET-MWLCHTKSSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCOC2)CC1 69625336 343427601 /nfs/dbraw/zinc/42/76/01/343427601.db2.gz ACJIDXJWMPZPET-KOLCDFICSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@H]1C[NH2+]CC[C@@H]1[NH+](C)C 70024236 343467318 /nfs/dbraw/zinc/46/73/18/343467318.db2.gz FZVOPHDUSUCYND-YUMQZZPRSA-N 2 0 142.246 0.546 20 0 in-vitro ACADRP C[C@H]1C[NH2+]CC[C@H]1[NH+](C)C 70024239 343467563 /nfs/dbraw/zinc/46/75/63/343467563.db2.gz FZVOPHDUSUCYND-JGVFFNPUSA-N 2 0 142.246 0.546 20 0 in-vitro ACADRP C[C@H]1C[NH2+]CC[C@H]1N1CC[NH+](C)CC1 70045480 343468923 /nfs/dbraw/zinc/46/89/23/343468923.db2.gz KVKJXZHVOYPJIT-WDEREUQCSA-N 2 0 197.326 0.232 20 0 ACADRP C[C@H]1C[NH2+]CC[C@@H]1N1CC[NH+](C)CC1 70045477 343469287 /nfs/dbraw/zinc/46/92/87/343469287.db2.gz KVKJXZHVOYPJIT-QWRGUYRKSA-N 2 0 197.326 0.232 20 0 ACADRP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70069913 343473935 /nfs/dbraw/zinc/47/39/35/343473935.db2.gz JQLJRGNBYYRNPN-VHSXEESVSA-N 2 0 184.283 0.446 20 0 ACADRP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1 70069912 343473988 /nfs/dbraw/zinc/47/39/88/343473988.db2.gz JQLJRGNBYYRNPN-NXEZZACHSA-N 2 0 184.283 0.446 20 0 ACADRP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 70533199 343489241 /nfs/dbraw/zinc/48/92/41/343489241.db2.gz LOJKGISZGPLSDB-DTWKUNHWSA-N 2 0 170.256 0.056 20 0 ACADRP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 70533200 343489251 /nfs/dbraw/zinc/48/92/51/343489251.db2.gz LOJKGISZGPLSDB-RKDXNWHRSA-N 2 0 170.256 0.056 20 0 ACADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2)C1 70968764 343545568 /nfs/dbraw/zinc/54/55/68/343545568.db2.gz BCSIRZKXLPPADR-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2)C1 70968768 343545731 /nfs/dbraw/zinc/54/57/31/343545731.db2.gz BCSIRZKXLPPADR-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP [NH3+]C1CCC([NH2+][C@H]2CCOC2)CC1 70969196 343545782 /nfs/dbraw/zinc/54/57/82/343545782.db2.gz HPCSYQDGOJDVPW-RTBKNWGFSA-N 2 0 184.283 0.635 20 0 ACADRP CC[N@H+](CCC[NH3+])CCC(=O)OC 71048373 343549268 /nfs/dbraw/zinc/54/92/68/343549268.db2.gz VGBCYVDVKFMYAM-UHFFFAOYSA-N 2 0 188.271 0.220 20 0 ACADRP COC(=O)CCC[N@H+](C)CCC[NH3+] 71048573 343549805 /nfs/dbraw/zinc/54/98/05/343549805.db2.gz XVZYDBMYXQWFKQ-UHFFFAOYSA-N 2 0 188.271 0.220 20 0 ACADRP COC(=O)[C@H](C)C[N@H+](C)CCC[NH3+] 71048880 343549824 /nfs/dbraw/zinc/54/98/24/343549824.db2.gz YDFMXBODTLTAOL-MRVPVSSYSA-N 2 0 188.271 0.076 20 0 ACADRP COC(=O)[C@@H](C)C[N@H+](C)CCC[NH3+] 71048878 343550010 /nfs/dbraw/zinc/55/00/10/343550010.db2.gz YDFMXBODTLTAOL-QMMMGPOBSA-N 2 0 188.271 0.076 20 0 ACADRP CC1C[NH+](C2CC[NH2+]CC2)C1 75824264 343578243 /nfs/dbraw/zinc/57/82/43/343578243.db2.gz MUQXCHGLMDDJBI-UHFFFAOYSA-N 2 0 154.257 0.690 20 0 ACADRP COC[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 81066173 343592864 /nfs/dbraw/zinc/59/28/64/343592864.db2.gz UIWDJBVVZMROSE-JTQLQIEISA-N 2 0 198.310 0.707 20 0 ACADRP COC[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 81066169 343592961 /nfs/dbraw/zinc/59/29/61/343592961.db2.gz UIWDJBVVZMROSE-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP [NH3+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21 82058242 343594788 /nfs/dbraw/zinc/59/47/88/343594788.db2.gz DLBUBZZQHRMYHC-HLTSFMKQSA-N 2 0 154.257 0.866 20 0 ACADRP [NH3+][C@@H]1CC[NH2+][C@H]2CCCC[C@H]21 82058240 343594895 /nfs/dbraw/zinc/59/48/95/343594895.db2.gz DLBUBZZQHRMYHC-YIZRAAEISA-N 2 0 154.257 0.866 20 0 ACADRP [NH3+][C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]12 82058239 343595020 /nfs/dbraw/zinc/59/50/20/343595020.db2.gz DLBUBZZQHRMYHC-DJLDLDEBSA-N 2 0 154.257 0.866 20 0 ACADRP [NH3+][C@@H]1CC[NH2+][C@@H]2CCCC[C@H]12 82058241 343595070 /nfs/dbraw/zinc/59/50/70/343595070.db2.gz DLBUBZZQHRMYHC-IWSPIJDZSA-N 2 0 154.257 0.866 20 0 ACADRP C[N@@H+]1CCO[C@H](C2CC[NH2+]CC2)C1 82393032 343600137 /nfs/dbraw/zinc/60/01/37/343600137.db2.gz CMOBWZSGVKNUMD-JTQLQIEISA-N 2 0 184.283 0.317 20 0 ACADRP C[N@@H+]1CCO[C@@H](C2CC[NH2+]CC2)C1 82393033 343600327 /nfs/dbraw/zinc/60/03/27/343600327.db2.gz CMOBWZSGVKNUMD-SNVBAGLBSA-N 2 0 184.283 0.317 20 0 ACADRP C[NH+](C)CCC1([NH3+])CC1 82411201 343603219 /nfs/dbraw/zinc/60/32/19/343603219.db2.gz DPSHPOMNJARTJZ-UHFFFAOYSA-N 2 0 128.219 0.429 20 0 ACADRP C[N@@H+](CC1CCCC1)C[C@@H](O)C[NH3+] 82492146 343604994 /nfs/dbraw/zinc/60/49/94/343604994.db2.gz XRIKHGHUFDYUNF-JTQLQIEISA-N 2 0 186.299 0.428 20 0 ACADRP C[N@@H+](CC1CCCC1)C[C@H](O)C[NH3+] 82492144 343605092 /nfs/dbraw/zinc/60/50/92/343605092.db2.gz XRIKHGHUFDYUNF-SNVBAGLBSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CC1 82560531 343606447 /nfs/dbraw/zinc/60/64/47/343606447.db2.gz WMXHCDXOKJTPPA-YUMQZZPRSA-N 2 0 154.257 0.594 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC1 82560530 343606467 /nfs/dbraw/zinc/60/64/67/343606467.db2.gz WMXHCDXOKJTPPA-SFYZADRCSA-N 2 0 154.257 0.594 20 0 ACADRP CC(C)[C@@H]1CC[N@H+](CCN)C1 82845728 343613299 /nfs/dbraw/zinc/61/32/99/343613299.db2.gz FDLHDWOXBFKAND-SECBINFHSA-N 2 0 156.273 0.923 20 0 in-vitro ACADRP CC(C)[C@H]1CC[N@H+](CCN)C1 82845734 343613365 /nfs/dbraw/zinc/61/33/65/343613365.db2.gz FDLHDWOXBFKAND-VIFPVBQESA-N 2 0 156.273 0.923 20 0 in-vitro ACADRP C[NH2+]CCCN1CC[NH2+]C[C@@H]1C(C)C 83343288 343618691 /nfs/dbraw/zinc/61/86/91/343618691.db2.gz UIYNCQHMGBXHMH-LLVKDONJSA-N 2 0 199.342 0.526 20 0 ACADRP C[NH2+]CCCN1CC[NH2+]C[C@H]1C(C)C 83343287 343618800 /nfs/dbraw/zinc/61/88/00/343618800.db2.gz UIYNCQHMGBXHMH-NSHDSACASA-N 2 0 199.342 0.526 20 0 ACADRP CCOCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 83825802 343625017 /nfs/dbraw/zinc/62/50/17/343625017.db2.gz SKVMGEYZSYGKFB-GHMZBOCLSA-N 2 0 198.310 0.564 20 0 ACADRP CCOCCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 83825801 343625102 /nfs/dbraw/zinc/62/51/02/343625102.db2.gz SKVMGEYZSYGKFB-PHIMTYICSA-N 2 0 198.310 0.564 20 0 ACADRP C[NH2+][C@@H]1CCC[C@H]1C[NH3+] 84213858 343631535 /nfs/dbraw/zinc/63/15/35/343631535.db2.gz OYIBFYBOBALVIS-NKWVEPMBSA-N 2 0 128.219 0.333 20 0 ACADRP C[NH2+][C@H]1CCC[C@H]1C[NH3+] 84213859 343631583 /nfs/dbraw/zinc/63/15/83/343631583.db2.gz OYIBFYBOBALVIS-BQBZGAKWSA-N 2 0 128.219 0.333 20 0 ACADRP C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 84214712 343631660 /nfs/dbraw/zinc/63/16/60/343631660.db2.gz QTTMOEDONWOFKK-HTQZYQBOSA-N 2 0 142.246 0.723 20 0 ACADRP C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 84214713 343631715 /nfs/dbraw/zinc/63/17/15/343631715.db2.gz QTTMOEDONWOFKK-SFYZADRCSA-N 2 0 142.246 0.723 20 0 ACADRP C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 84214714 343631723 /nfs/dbraw/zinc/63/17/23/343631723.db2.gz QTTMOEDONWOFKK-JGVFFNPUSA-N 2 0 142.246 0.723 20 0 ACADRP C[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84213857 343631766 /nfs/dbraw/zinc/63/17/66/343631766.db2.gz OYIBFYBOBALVIS-RQJHMYQMSA-N 2 0 128.219 0.333 20 0 ACADRP C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84213856 343631811 /nfs/dbraw/zinc/63/18/11/343631811.db2.gz OYIBFYBOBALVIS-RNFRBKRXSA-N 2 0 128.219 0.333 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC1 84217186 343631972 /nfs/dbraw/zinc/63/19/72/343631972.db2.gz NNQHXEFOWCIOIT-CBAPKCEASA-N 2 0 154.257 0.866 20 0 ACADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1CC1 84217185 343632119 /nfs/dbraw/zinc/63/21/19/343632119.db2.gz NNQHXEFOWCIOIT-APPZFPTMSA-N 2 0 154.257 0.866 20 0 ACADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CC1 84217182 343632188 /nfs/dbraw/zinc/63/21/88/343632188.db2.gz NNQHXEFOWCIOIT-VXNVDRBHSA-N 2 0 154.257 0.866 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CC1 84217184 343632255 /nfs/dbraw/zinc/63/22/55/343632255.db2.gz NNQHXEFOWCIOIT-IONNQARKSA-N 2 0 154.257 0.866 20 0 ACADRP C[NH+](C)C1(CC[NH3+])CCC1 84327756 343634220 /nfs/dbraw/zinc/63/42/20/343634220.db2.gz KYDNRJCURXCCTO-UHFFFAOYSA-N 2 0 142.246 0.820 20 0 ACADRP C[NH+](C)C1(CC[NH3+])CCOCC1 84338088 343634652 /nfs/dbraw/zinc/63/46/52/343634652.db2.gz VWELCQJXWCXLLL-UHFFFAOYSA-N 2 0 172.272 0.446 20 0 ACADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCO1 84384468 343635736 /nfs/dbraw/zinc/63/57/36/343635736.db2.gz AEPWRUJBMZBOOL-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP CC(C)[NH2+]CC[C@H]1CC[NH2+]C1 84384959 343635876 /nfs/dbraw/zinc/63/58/76/343635876.db2.gz KPDLAPOHOKIKJV-SECBINFHSA-N 2 0 156.273 0.984 20 0 ACADRP C[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 84384779 343635935 /nfs/dbraw/zinc/63/59/35/343635935.db2.gz GXHAWGDLQRGMNB-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP C[NH+](C)[C@H]1CCCN(CC(C)(C)[NH3+])C1 84420482 343636252 /nfs/dbraw/zinc/63/62/52/343636252.db2.gz QOXAJYCCRQDUSV-JTQLQIEISA-N 2 0 199.342 0.750 20 0 ACADRP C[NH+](C)[C@@H]1CCCN(CC(C)(C)[NH3+])C1 84420485 343636308 /nfs/dbraw/zinc/63/63/08/343636308.db2.gz QOXAJYCCRQDUSV-SNVBAGLBSA-N 2 0 199.342 0.750 20 0 ACADRP C[C@@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 84419571 343636491 /nfs/dbraw/zinc/63/64/91/343636491.db2.gz DCVBNIYBWYKHLR-ZJUUUORDSA-N 2 0 185.315 0.360 20 0 ACADRP CC(C)[NH+]1CCC(NC2C[NH2+]C2)CC1 84416604 343636502 /nfs/dbraw/zinc/63/65/02/343636502.db2.gz OWGWMXXIIXJMHR-UHFFFAOYSA-N 2 0 197.326 0.421 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 84419568 343636624 /nfs/dbraw/zinc/63/66/24/343636624.db2.gz DCVBNIYBWYKHLR-UWVGGRQHSA-N 2 0 185.315 0.360 20 0 ACADRP C1CC1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 85283505 343642137 /nfs/dbraw/zinc/64/21/37/343642137.db2.gz SVPLBTOVVIPQBL-QWRGUYRKSA-N 2 0 180.295 0.938 20 0 ACADRP COC[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85282207 343642142 /nfs/dbraw/zinc/64/21/42/343642142.db2.gz MOEGMNCSMRRVNO-IVZWLZJFSA-N 2 0 184.283 0.173 20 0 ACADRP COC[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282205 343642150 /nfs/dbraw/zinc/64/21/50/343642150.db2.gz MOEGMNCSMRRVNO-LPEHRKFASA-N 2 0 184.283 0.173 20 0 ACADRP C1CC1C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282245 343642155 /nfs/dbraw/zinc/64/21/55/343642155.db2.gz OSOJRBXXAPYBNY-AOOOYVTPSA-N 2 0 166.268 0.548 20 0 ACADRP C1CC(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85283321 343642184 /nfs/dbraw/zinc/64/21/84/343642184.db2.gz HNBRJSUVZCJINQ-PHIMTYICSA-N 2 0 180.295 0.938 20 0 ACADRP C1CC1CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85283501 343642192 /nfs/dbraw/zinc/64/21/92/343642192.db2.gz SVPLBTOVVIPQBL-PHIMTYICSA-N 2 0 180.295 0.938 20 0 ACADRP C1CC1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 85283503 343642240 /nfs/dbraw/zinc/64/22/40/343642240.db2.gz SVPLBTOVVIPQBL-GHMZBOCLSA-N 2 0 180.295 0.938 20 0 ACADRP COC[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282206 343642354 /nfs/dbraw/zinc/64/23/54/343642354.db2.gz MOEGMNCSMRRVNO-BBBLOLIVSA-N 2 0 184.283 0.173 20 0 ACADRP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H]1C 86008498 343648593 /nfs/dbraw/zinc/64/85/93/343648593.db2.gz DPMZEXAHUKFJAL-DTORHVGOSA-N 2 0 156.273 0.923 20 0 ACADRP C[C@H]1C[NH+](CCC[NH3+])C[C@@H]1C 86008500 343648904 /nfs/dbraw/zinc/64/89/04/343648904.db2.gz DPMZEXAHUKFJAL-IUCAKERBSA-N 2 0 156.273 0.923 20 0 ACADRP Cc1cc(NC(=O)C2([NH3+])CC2)ccn1 86114008 343649212 /nfs/dbraw/zinc/64/92/12/343649212.db2.gz UIZSJXDFWILNOX-UHFFFAOYSA-N 2 0 191.234 0.820 20 0 ACADRP Cc1cc(NC(=O)[C@@H](C)[NH3+])ccn1 86113991 343649303 /nfs/dbraw/zinc/64/93/03/343649303.db2.gz SZXZIXXIJFUDLP-SSDOTTSWSA-N 2 0 179.223 0.676 20 0 ACADRP CC(C)[NH2+][C@@H]1CCC[C@H]1[NH3+] 86678318 343653278 /nfs/dbraw/zinc/65/32/78/343653278.db2.gz GUPDXLZWXPCFBL-HTQZYQBOSA-N 2 0 142.246 0.864 20 0 ACADRP CC(C)[NH2+][C@H]1CCC[C@H]1[NH3+] 86678320 343653289 /nfs/dbraw/zinc/65/32/89/343653289.db2.gz GUPDXLZWXPCFBL-SFYZADRCSA-N 2 0 142.246 0.864 20 0 ACADRP CC(C)[NH2+][C@H]1CCC[C@@H]1[NH3+] 86678317 343653346 /nfs/dbraw/zinc/65/33/46/343653346.db2.gz GUPDXLZWXPCFBL-YUMQZZPRSA-N 2 0 142.246 0.864 20 0 ACADRP CC(C)[NH2+][C@@H]1CCC[C@@H]1[NH3+] 86678315 343653450 /nfs/dbraw/zinc/65/34/50/343653450.db2.gz GUPDXLZWXPCFBL-JGVFFNPUSA-N 2 0 142.246 0.864 20 0 ACADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 86726416 343653775 /nfs/dbraw/zinc/65/37/75/343653775.db2.gz YGLVNTCMZRXSKT-APPZFPTMSA-N 2 0 154.257 0.736 20 0 ACADRP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 86726412 343653925 /nfs/dbraw/zinc/65/39/25/343653925.db2.gz YGLVNTCMZRXSKT-VXNVDRBHSA-N 2 0 154.257 0.736 20 0 ACADRP CC(C)C[NH2+][C@@H]1CC[NH2+]C1 86724294 343653985 /nfs/dbraw/zinc/65/39/85/343653985.db2.gz CCFWUJOLGVQMRO-MRVPVSSYSA-N 2 0 142.246 0.594 20 0 ACADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 86726411 343654015 /nfs/dbraw/zinc/65/40/15/343654015.db2.gz YGLVNTCMZRXSKT-IONNQARKSA-N 2 0 154.257 0.736 20 0 ACADRP CC(C)[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 86725995 343654026 /nfs/dbraw/zinc/65/40/26/343654026.db2.gz WNPCXOXZXODRTH-BDAKNGLRSA-N 2 0 156.273 0.982 20 0 ACADRP C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCOC1 86701714 343654050 /nfs/dbraw/zinc/65/40/50/343654050.db2.gz SAZODYGLKXVEJX-NSHDSACASA-N 2 0 198.310 0.707 20 0 ACADRP C1CCC([NH2+][C@H]2CC[NH2+]C2)C1 86724320 343654058 /nfs/dbraw/zinc/65/40/58/343654058.db2.gz XTNWPUVCFRKTNZ-VIFPVBQESA-N 2 0 154.257 0.881 20 0 ACADRP C[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 86726414 343654117 /nfs/dbraw/zinc/65/41/17/343654117.db2.gz YGLVNTCMZRXSKT-CBAPKCEASA-N 2 0 154.257 0.736 20 0 ACADRP C1CCC([NH2+][C@@H]2CC[NH2+]C2)C1 86724316 343654150 /nfs/dbraw/zinc/65/41/50/343654150.db2.gz XTNWPUVCFRKTNZ-SECBINFHSA-N 2 0 154.257 0.881 20 0 ACADRP CC(C)[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86725992 343654165 /nfs/dbraw/zinc/65/41/65/343654165.db2.gz WNPCXOXZXODRTH-DTWKUNHWSA-N 2 0 156.273 0.982 20 0 ACADRP CC[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1 86729111 343654172 /nfs/dbraw/zinc/65/41/72/343654172.db2.gz FHFLGFMNRGDBSO-GHMZBOCLSA-N 2 0 197.326 0.422 20 0 ACADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC1 86701712 343654217 /nfs/dbraw/zinc/65/42/17/343654217.db2.gz SAZODYGLKXVEJX-LLVKDONJSA-N 2 0 198.310 0.707 20 0 ACADRP CC(C)[C@H](C)[NH2+][C@H]1CC[NH2+]C1 86725997 343654245 /nfs/dbraw/zinc/65/42/45/343654245.db2.gz WNPCXOXZXODRTH-IUCAKERBSA-N 2 0 156.273 0.982 20 0 ACADRP CC(C)[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86725989 343654251 /nfs/dbraw/zinc/65/42/51/343654251.db2.gz WNPCXOXZXODRTH-RKDXNWHRSA-N 2 0 156.273 0.982 20 0 ACADRP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C2)C1 86729109 343654281 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198.310 0.443 20 0 ACADRP [NH3+]CC1CC[NH+](CCF)CC1 87774525 343663985 /nfs/dbraw/zinc/66/39/85/343663985.db2.gz LKVQQHAYTDWZSH-UHFFFAOYSA-N 2 0 160.236 0.627 20 0 ACADRP Cc1nc(NCC[NH+](C)C)cc(N)[nH+]1 87807368 343664845 /nfs/dbraw/zinc/66/48/45/343664845.db2.gz BVHJIWCSYXGFJF-UHFFFAOYSA-N 2 0 195.270 0.341 20 0 ACADRP C[N@@H+]1CCC[C@H]2C[NH+](CCO)CC[C@@H]21 88091294 343667129 /nfs/dbraw/zinc/66/71/29/343667129.db2.gz FXAIBQFFOASGAE-QWRGUYRKSA-N 2 0 198.310 0.395 20 0 ACADRP CC(C)[NH2+]CC1([NH3+])CCC1 88051835 343667335 /nfs/dbraw/zinc/66/73/35/343667335.db2.gz DYACOOJPWGCBHL-UHFFFAOYSA-N 2 0 142.246 0.866 20 0 ACADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCO)CC[C@@H]21 88091295 343667412 /nfs/dbraw/zinc/66/74/12/343667412.db2.gz FXAIBQFFOASGAE-MNOVXSKESA-N 2 0 198.310 0.395 20 0 ACADRP C1CO[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 88287762 343669779 /nfs/dbraw/zinc/66/97/79/343669779.db2.gz MSXNBSNKYIQFPO-MXWKQRLJSA-N 2 0 196.294 0.317 20 0 ACADRP CC(C)OCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 88287888 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C[C@H]([NH3+])CN1CC[NH2+][C@@H](C)[C@@H]1C 141203182 344004310 /nfs/dbraw/zinc/00/43/10/344004310.db2.gz BMPGTWDLUAKXGP-CIUDSAMLSA-N 2 0 171.288 0.016 20 0 ACADRP C[C@@H]([NH3+])CN1CC[NH2+]CC1(C)C 141215319 344004641 /nfs/dbraw/zinc/00/46/41/344004641.db2.gz AIIOTCRDVCNWJV-MRVPVSSYSA-N 2 0 171.288 0.017 20 0 ACADRP CC(C)([NH3+])CN1CC[NH2+]C(C)(C)C1 141216453 344004802 /nfs/dbraw/zinc/00/48/02/344004802.db2.gz IGMZEUKPTRWJTO-UHFFFAOYSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@H]([NH3+])CN1CC[NH2+]CC1(C)C 141215506 344004815 /nfs/dbraw/zinc/00/48/15/344004815.db2.gz AIIOTCRDVCNWJV-QMMMGPOBSA-N 2 0 171.288 0.017 20 0 ACADRP C[N@@H+]1C[C@H]2C[NH+](CC3CC3)C[C@H]2C1 141946925 344009226 /nfs/dbraw/zinc/00/92/26/344009226.db2.gz NPKCMBDDVYYJBS-PHIMTYICSA-N 2 0 180.295 0.890 20 0 ACADRP CC(C)[NH2+]C1CCN(CCO)CC1 144918756 344030355 /nfs/dbraw/zinc/03/03/55/344030355.db2.gz RSVGLBWKFCBLRG-UHFFFAOYSA-N 2 0 186.299 0.441 20 0 ACADRP [NH3+][C@@H]1CCCC[C@H]1NC1CC[NH2+]CC1 145099412 344031506 /nfs/dbraw/zinc/03/15/06/344031506.db2.gz DTSPFEJBCJTEOL-GHMZBOCLSA-N 2 0 197.326 0.598 20 0 ACADRP [NH3+][C@@]12CCCC[C@@H]1C[NH2+]C2 146904399 344042705 /nfs/dbraw/zinc/04/27/05/344042705.db2.gz CAIDONUSMPDGKG-HTQZYQBOSA-N 2 0 140.230 0.477 20 0 ACADRP C[C@@H](C[NH3+])[C@@]1(O)C[C@@H](C)[N@H+](C)C1 148224667 344051612 /nfs/dbraw/zinc/05/16/12/344051612.db2.gz VWMSOXUBEYSWQY-DJLDLDEBSA-N 2 0 172.272 0.036 20 0 ACADRP CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 149345800 344064515 /nfs/dbraw/zinc/06/45/15/344064515.db2.gz MCCJQHKDVOVRAT-VIFPVBQESA-N 2 0 156.273 0.890 20 0 ACADRP CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 149346005 344064745 /nfs/dbraw/zinc/06/47/45/344064745.db2.gz MCCJQHKDVOVRAT-SECBINFHSA-N 2 0 156.273 0.890 20 0 ACADRP C[C@H]1CC[C@@H](C[NH+]2CCC([NH3+])CC2)O1 149745044 344070709 /nfs/dbraw/zinc/07/07/09/344070709.db2.gz AYEXBXHMMPUIJE-ONGXEEELSA-N 2 0 198.310 0.977 20 0 ACADRP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C[NH3+])C2)O1 149752273 344070744 /nfs/dbraw/zinc/07/07/44/344070744.db2.gz BZCDTXDHGKQJKA-GMTAPVOTSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H](C[NH3+])C2)O1 149752632 344070901 /nfs/dbraw/zinc/07/09/01/344070901.db2.gz BZCDTXDHGKQJKA-MXWKQRLJSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@@H]1CC[C@@H](C[NH+]2CCC([NH3+])CC2)O1 149744837 344071002 /nfs/dbraw/zinc/07/10/02/344071002.db2.gz AYEXBXHMMPUIJE-KOLCDFICSA-N 2 0 198.310 0.977 20 0 ACADRP C[C@H]1CC[C@H](C[NH+]2CCC([NH3+])CC2)O1 149744651 344071018 /nfs/dbraw/zinc/07/10/18/344071018.db2.gz AYEXBXHMMPUIJE-GXSJLCMTSA-N 2 0 198.310 0.977 20 0 ACADRP C[C@@H]1CC[C@H](C[NH+]2CCC([NH3+])CC2)O1 149744470 344071054 /nfs/dbraw/zinc/07/10/54/344071054.db2.gz AYEXBXHMMPUIJE-MWLCHTKSSA-N 2 0 198.310 0.977 20 0 ACADRP C[C@@H]1CC[C@@H](C[N@H+](C)CCC[NH3+])O1 149794643 344071307 /nfs/dbraw/zinc/07/13/07/344071307.db2.gz LVYVYNHGXATKON-ZJUUUORDSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@H]1CC[C@@H](C[N@H+](C)CCC[NH3+])O1 149794882 344071466 /nfs/dbraw/zinc/07/14/66/344071466.db2.gz LVYVYNHGXATKON-UWVGGRQHSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@H]1CC[C@H](C[N@H+](C)CCC[NH3+])O1 149794447 344071716 /nfs/dbraw/zinc/07/17/16/344071716.db2.gz LVYVYNHGXATKON-VHSXEESVSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@@H]1CC[C@H](C[N@H+](C)CCC[NH3+])O1 149794237 344071779 /nfs/dbraw/zinc/07/17/79/344071779.db2.gz LVYVYNHGXATKON-NXEZZACHSA-N 2 0 186.299 0.835 20 0 ACADRP C[NH2+][C@H]1CCN(CC(C)(C)O)C1 150163939 344077797 /nfs/dbraw/zinc/07/77/97/344077797.db2.gz FCWVWJLPKDMMGX-QMMMGPOBSA-N 2 0 172.272 0.051 20 0 ACADRP C[NH2+][C@@H]1CCN(CC(C)(C)O)C1 150164151 344077954 /nfs/dbraw/zinc/07/79/54/344077954.db2.gz FCWVWJLPKDMMGX-MRVPVSSYSA-N 2 0 172.272 0.051 20 0 ACADRP OCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 155834444 344080432 /nfs/dbraw/zinc/08/04/32/344080432.db2.gz ICZBPWIKCCVJGS-NXEZZACHSA-N 2 0 184.283 0.195 20 0 ACADRP OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 155834792 344080525 /nfs/dbraw/zinc/08/05/25/344080525.db2.gz ICZBPWIKCCVJGS-UWVGGRQHSA-N 2 0 184.283 0.195 20 0 ACADRP OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 155834670 344080544 /nfs/dbraw/zinc/08/05/44/344080544.db2.gz ICZBPWIKCCVJGS-VHSXEESVSA-N 2 0 184.283 0.195 20 0 ACADRP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)C1 156537275 344089932 /nfs/dbraw/zinc/08/99/32/344089932.db2.gz JQHMCFYQGIGAFV-YUMQZZPRSA-N 2 0 142.246 0.675 20 0 ACADRP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C 156536500 344090009 /nfs/dbraw/zinc/09/00/09/344090009.db2.gz KFLUMKISTBYCBH-JGVFFNPUSA-N 2 0 142.246 0.818 20 0 ACADRP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C 156536626 344090235 /nfs/dbraw/zinc/09/02/35/344090235.db2.gz KFLUMKISTBYCBH-YUMQZZPRSA-N 2 0 142.246 0.818 20 0 ACADRP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H](C)C1 156545549 344090714 /nfs/dbraw/zinc/09/07/14/344090714.db2.gz YESPPRWBLULMKT-YIZRAAEISA-N 2 0 156.273 0.921 20 0 ACADRP C[C@H]([NH3+])C[NH+]1C[C@@H](C)[C@H](C)C1 156545794 344090684 /nfs/dbraw/zinc/09/06/84/344090684.db2.gz YESPPRWBLULMKT-HLTSFMKQSA-N 2 0 156.273 0.921 20 0 ACADRP C[C@H]([NH3+])C[NH+]1C[C@H](C)[C@@H](C)C1 156545667 344090964 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/nfs/dbraw/zinc/14/65/34/344146534.db2.gz OODBXAOCHUFXCW-DTWKUNHWSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(C)(C)O)C1 159503571 344146603 /nfs/dbraw/zinc/14/66/03/344146603.db2.gz OODBXAOCHUFXCW-RKDXNWHRSA-N 2 0 186.299 0.426 20 0 ACADRP OC[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 159489522 344146641 /nfs/dbraw/zinc/14/66/41/344146641.db2.gz PJPNNHVQGJADMF-NSHDSACASA-N 2 0 198.310 0.300 20 0 ACADRP C1C[NH2+]CC[C@@H]([NH2+][C@H]2CCOC2)C1 160693512 344174568 /nfs/dbraw/zinc/17/45/68/344174568.db2.gz SZQSKLJRSZFHAR-UWVGGRQHSA-N 2 0 184.283 0.507 20 0 ACADRP C1C[NH2+]CC[C@H]([NH2+][C@H]2CCOC2)C1 160693652 344174605 /nfs/dbraw/zinc/17/46/05/344174605.db2.gz SZQSKLJRSZFHAR-ZJUUUORDSA-N 2 0 184.283 0.507 20 0 ACADRP CC(C)(C[NH3+])[C@@]1(O)CCC[NH2+]CC1 160713101 344174862 /nfs/dbraw/zinc/17/48/62/344174862.db2.gz FDPQLPVEQHKHIE-SNVBAGLBSA-N 2 0 186.299 0.476 20 0 ACADRP CC(C)(C[NH3+])[C@]1(O)CCC[NH2+]CC1 160712982 344174954 /nfs/dbraw/zinc/17/49/54/344174954.db2.gz 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ACADRP CC1(C)C[NH2+]CC[C@]1(O)CC[NH3+] 300774838 344995598 /nfs/dbraw/zinc/99/55/98/344995598.db2.gz RXQZSIBVWMLKCH-SECBINFHSA-N 2 0 172.272 0.086 20 0 ACADRP CC1(C)C[NH2+]CC[C@@]1(O)CC[NH3+] 300774840 344995642 /nfs/dbraw/zinc/99/56/42/344995642.db2.gz RXQZSIBVWMLKCH-VIFPVBQESA-N 2 0 172.272 0.086 20 0 ACADRP C[C@H](C[NH3+])[C@]1(O)CC[NH2+]CC1(C)C 300904000 345011367 /nfs/dbraw/zinc/01/13/67/345011367.db2.gz WIPPJVWHRLHMLZ-PSASIEDQSA-N 2 0 186.299 0.332 20 0 ACADRP C[N@H+](CCCF)CCOCC[NH3+] 301047984 345033971 /nfs/dbraw/zinc/03/39/71/345033971.db2.gz QBNHFSZFYCUKII-UHFFFAOYSA-N 2 0 178.251 0.253 20 0 ACADRP C[C@@H]([NH3+])CN1CCCOC(C)(C)C1 306160512 345051032 /nfs/dbraw/zinc/05/10/32/345051032.db2.gz FRHAXQQAHVICQY-SECBINFHSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]([NH3+])[C@H](C)C1 306176411 345066925 /nfs/dbraw/zinc/06/69/25/345066925.db2.gz NVPIYADKPSDYSO-HRDYMLBCSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([NH3+])[C@H](C)C1 306176413 345066938 /nfs/dbraw/zinc/06/69/38/345066938.db2.gz NVPIYADKPSDYSO-VGMNWLOBSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]([NH3+])[C@@H](C)C1 306176415 345066969 /nfs/dbraw/zinc/06/69/69/345066969.db2.gz NVPIYADKPSDYSO-XHNCKOQMSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([NH3+])[C@@H](C)C1 306176409 345067331 /nfs/dbraw/zinc/06/73/31/345067331.db2.gz NVPIYADKPSDYSO-CIUDSAMLSA-N 2 0 171.288 0.003 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@H]1C[NH3+] 306183483 345074757 /nfs/dbraw/zinc/07/47/57/345074757.db2.gz ZCLKYQPKAHRJDX-IUCAKERBSA-N 2 0 171.288 0.147 20 0 ACADRP CC[N@@H+]1CC[C@@](O)(C(C)(C)C[NH3+])C1 306214639 345105672 /nfs/dbraw/zinc/10/56/72/345105672.db2.gz NGXFEBFGVPSSBT-JTQLQIEISA-N 2 0 186.299 0.428 20 0 ACADRP CC[N@@H+]1CC[C@](O)(C(C)(C)C[NH3+])C1 306214640 345105959 /nfs/dbraw/zinc/10/59/59/345105959.db2.gz NGXFEBFGVPSSBT-SNVBAGLBSA-N 2 0 186.299 0.428 20 0 ACADRP O[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH2+]CC1 306229514 345122957 /nfs/dbraw/zinc/12/29/57/345122957.db2.gz GUKBQNOCZVKIQG-GHMZBOCLSA-N 2 0 198.310 0.489 20 0 ACADRP C[C@]1(C[N@@H+]2CC[C@@H](O)C2)CC[NH2+]C1 306231881 345125374 /nfs/dbraw/zinc/12/53/74/345125374.db2.gz IFCOGDANUVEAQQ-ZJUUUORDSA-N 2 0 184.283 0.053 20 0 ACADRP [NH3+]CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306233947 345126945 /nfs/dbraw/zinc/12/69/45/345126945.db2.gz NASRETCXDNOLGR-GUBZILKMSA-N 2 0 183.299 0.004 20 0 ACADRP [NH3+]CCN1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306233945 345126995 /nfs/dbraw/zinc/12/69/95/345126995.db2.gz NASRETCXDNOLGR-AEJSXWLSSA-N 2 0 183.299 0.004 20 0 ACADRP [NH3+]CCN1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306233949 345127116 /nfs/dbraw/zinc/12/71/16/345127116.db2.gz NASRETCXDNOLGR-IVZWLZJFSA-N 2 0 183.299 0.004 20 0 ACADRP [NH3+]CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306233952 345127159 /nfs/dbraw/zinc/12/71/59/345127159.db2.gz NASRETCXDNOLGR-LPEHRKFASA-N 2 0 183.299 0.004 20 0 ACADRP C[C@H]1C[C@H](O)C[N@@H+]1CCn1ccnc1 306257500 345148096 /nfs/dbraw/zinc/14/80/96/345148096.db2.gz YTVAKTGEWIXHLJ-UWVGGRQHSA-N 2 0 195.266 0.338 20 0 ACADRP C[C@H]1C[C@@H](O)C[N@@H+]1CCn1ccnc1 306257501 345148235 /nfs/dbraw/zinc/14/82/35/345148235.db2.gz YTVAKTGEWIXHLJ-VHSXEESVSA-N 2 0 195.266 0.338 20 0 ACADRP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CNCCO1 306259114 345149798 /nfs/dbraw/zinc/14/97/98/345149798.db2.gz ZLRVZTUDRJWIHQ-ZJUUUORDSA-N 2 0 198.310 0.753 20 0 ACADRP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CNCCO1 306259113 345150031 /nfs/dbraw/zinc/15/00/31/345150031.db2.gz ZLRVZTUDRJWIHQ-VHSXEESVSA-N 2 0 198.310 0.753 20 0 ACADRP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CNCCO1 306259112 345150061 /nfs/dbraw/zinc/15/00/61/345150061.db2.gz ZLRVZTUDRJWIHQ-UWVGGRQHSA-N 2 0 198.310 0.753 20 0 ACADRP CC1(C)CC[C@H]1[NH2+]C[C@H]1CNCCO1 306259111 345150129 /nfs/dbraw/zinc/15/01/29/345150129.db2.gz ZLRVZTUDRJWIHQ-NXEZZACHSA-N 2 0 198.310 0.753 20 0 ACADRP CC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 306261357 345151679 /nfs/dbraw/zinc/15/16/79/345151679.db2.gz VYPUMABAJPNJPI-UWVGGRQHSA-N 2 0 180.295 0.938 20 0 ACADRP CC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 306261356 345151713 /nfs/dbraw/zinc/15/17/13/345151713.db2.gz VYPUMABAJPNJPI-NXEZZACHSA-N 2 0 180.295 0.938 20 0 ACADRP CC1(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CC1 306261355 345151837 /nfs/dbraw/zinc/15/18/37/345151837.db2.gz VYPUMABAJPNJPI-AOOOYVTPSA-N 2 0 180.295 0.938 20 0 ACADRP C1C[C@H]2C[N@@H+](CC3CC3)C[C@H]2C[NH2+]1 306263351 345153674 /nfs/dbraw/zinc/15/36/74/345153674.db2.gz CMGGQQIINKTKCZ-WDEREUQCSA-N 2 0 180.295 0.938 20 0 ACADRP C1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C[NH2+]1 306263349 345153842 /nfs/dbraw/zinc/15/38/42/345153842.db2.gz CMGGQQIINKTKCZ-MNOVXSKESA-N 2 0 180.295 0.938 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@]2(CC[NH2+]C2)C1 306319704 345197528 /nfs/dbraw/zinc/19/75/28/345197528.db2.gz BKTIAJKSTZLIDV-UWVGGRQHSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@]2(CC[NH2+]C2)C1 306319709 345197537 /nfs/dbraw/zinc/19/75/37/345197537.db2.gz BKTIAJKSTZLIDV-VHSXEESVSA-N 2 0 183.299 0.019 20 0 ACADRP CN(CC(C)(C)[NH3+])C1CC[NH2+]CC1 306326579 345204406 /nfs/dbraw/zinc/20/44/06/345204406.db2.gz XAXPINGZEDFSAL-UHFFFAOYSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]2[NH2+]CC[C@H]2C1 306328487 345206000 /nfs/dbraw/zinc/20/60/00/345206000.db2.gz NORXJHQBPHKOQB-LPEHRKFASA-N 2 0 183.299 0.017 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]2[NH2+]CC[C@@H]2C1 306328485 345206099 /nfs/dbraw/zinc/20/60/99/345206099.db2.gz NORXJHQBPHKOQB-IVZWLZJFSA-N 2 0 183.299 0.017 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306328482 345206175 /nfs/dbraw/zinc/20/61/75/345206175.db2.gz NORXJHQBPHKOQB-AEJSXWLSSA-N 2 0 183.299 0.017 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]2[NH2+]CC[C@H]2C1 306328484 345206278 /nfs/dbraw/zinc/20/62/78/345206278.db2.gz NORXJHQBPHKOQB-GUBZILKMSA-N 2 0 183.299 0.017 20 0 ACADRP C[C@@H]([NH3+])CN1CCC(C)([NH3+])CC1 306334996 345211040 /nfs/dbraw/zinc/21/10/40/345211040.db2.gz GDTNKANHNOQTPF-MRVPVSSYSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@H]([NH3+])CN1CCC(C)([NH3+])CC1 306335001 345211108 /nfs/dbraw/zinc/21/11/08/345211108.db2.gz GDTNKANHNOQTPF-QMMMGPOBSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@H]([NH3+])CN1CC[NH+](C2CCC2)CC1 306354070 345226010 /nfs/dbraw/zinc/22/60/10/345226010.db2.gz QGQABSXPCYDRCR-JTQLQIEISA-N 2 0 197.326 0.504 20 0 ACADRP CC(C)([NH3+])CN1CCC(C)([NH3+])CC1 306359398 345229860 /nfs/dbraw/zinc/22/98/60/345229860.db2.gz CIZPKYAMAFXAOD-UHFFFAOYSA-N 2 0 185.315 0.537 20 0 ACADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCO)C2)C1 306362917 345233003 /nfs/dbraw/zinc/23/30/03/345233003.db2.gz VORHBRWXHRUDRG-NSHDSACASA-N 2 0 198.310 0.396 20 0 ACADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCO)C2)C1 306362916 345233106 /nfs/dbraw/zinc/23/31/06/345233106.db2.gz VORHBRWXHRUDRG-LLVKDONJSA-N 2 0 198.310 0.396 20 0 ACADRP [NH3+]C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 306366904 345236166 /nfs/dbraw/zinc/23/61/66/345236166.db2.gz BDLAVVFJPCRTGZ-SNVBAGLBSA-N 2 0 197.326 0.409 20 0 ACADRP C[C@H]([NH3+])CN1CCC(C[NH3+])CC1 306366990 345236232 /nfs/dbraw/zinc/23/62/32/345236232.db2.gz BJDKNHRPZKNIRJ-QMMMGPOBSA-N 2 0 171.288 0.004 20 0 ACADRP [NH3+]C1CCN(C[C@H]2CCC[NH2+]C2)CC1 306366900 345236281 /nfs/dbraw/zinc/23/62/81/345236281.db2.gz BDLAVVFJPCRTGZ-JTQLQIEISA-N 2 0 197.326 0.409 20 0 ACADRP C[C@]1(C[N@@H+]2CC[C@H](O)C2)CC[NH2+]C1 306367157 345236843 /nfs/dbraw/zinc/23/68/43/345236843.db2.gz IFCOGDANUVEAQQ-UWVGGRQHSA-N 2 0 184.283 0.053 20 0 ACADRP [NH3+][C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 306375799 345242586 /nfs/dbraw/zinc/24/25/86/345242586.db2.gz YARPRZGLVJVQDU-VHSXEESVSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@@H]([NH3+])C(=O)N(C)C1CCC([NH3+])CC1 306375303 345242726 /nfs/dbraw/zinc/24/27/26/345242726.db2.gz XOZJCHNWEWXUNI-AFPNSQJFSA-N 2 0 199.298 0.062 20 0 ACADRP [NH3+]CC1([C@]2(O)CCC[NH2+]CC2)CC1 306417104 345275114 /nfs/dbraw/zinc/27/51/14/345275114.db2.gz SLZOGDBIGRKCHE-JTQLQIEISA-N 2 0 184.283 0.230 20 0 ACADRP [NH3+]CC1([C@@]2(O)CCC[NH2+]CC2)CC1 306417106 345275366 /nfs/dbraw/zinc/27/53/66/345275366.db2.gz SLZOGDBIGRKCHE-SNVBAGLBSA-N 2 0 184.283 0.230 20 0 ACADRP C[C@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)[NH3+] 306421303 345278177 /nfs/dbraw/zinc/27/81/77/345278177.db2.gz YYNKFEUAAPKPAF-IUCAKERBSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)[NH3+] 306421302 345278437 /nfs/dbraw/zinc/27/84/37/345278437.db2.gz YYNKFEUAAPKPAF-DTWKUNHWSA-N 2 0 186.299 0.426 20 0 ACADRP FCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 306422685 345279523 /nfs/dbraw/zinc/27/95/23/345279523.db2.gz ATNKBLMHKZFIKB-IUCAKERBSA-N 2 0 172.247 0.640 20 0 ACADRP FCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 306422682 345279704 /nfs/dbraw/zinc/27/97/04/345279704.db2.gz ATNKBLMHKZFIKB-BDAKNGLRSA-N 2 0 172.247 0.640 20 0 ACADRP FCCN1CC[C@H]2[NH2+]CC[C@H]2C1 306422683 345280119 /nfs/dbraw/zinc/28/01/19/345280119.db2.gz ATNKBLMHKZFIKB-DTWKUNHWSA-N 2 0 172.247 0.640 20 0 ACADRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] 306423209 345280315 /nfs/dbraw/zinc/28/03/15/345280315.db2.gz BAZKVTULMMTRGM-CIUDSAMLSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] 306423214 345280498 /nfs/dbraw/zinc/28/04/98/345280498.db2.gz BAZKVTULMMTRGM-XHNCKOQMSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] 306423210 345280541 /nfs/dbraw/zinc/28/05/41/345280541.db2.gz BAZKVTULMMTRGM-HRDYMLBCSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] 306423212 345280649 /nfs/dbraw/zinc/28/06/49/345280649.db2.gz BAZKVTULMMTRGM-VGMNWLOBSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])CN1CC[NH2+][C@@H](C)[C@H]1C 306423956 345280820 /nfs/dbraw/zinc/28/08/20/345280820.db2.gz BMPGTWDLUAKXGP-XHNCKOQMSA-N 2 0 171.288 0.016 20 0 ACADRP C[C@H]([NH3+])CN1CC[NH2+][C@H](C)[C@@H]1C 306423958 345280964 /nfs/dbraw/zinc/28/09/64/345280964.db2.gz BMPGTWDLUAKXGP-YIZRAAEISA-N 2 0 171.288 0.016 20 0 ACADRP C[C@H]([NH3+])CN1CC[NH2+][C@H](C)[C@H]1C 306423954 345281138 /nfs/dbraw/zinc/28/11/38/345281138.db2.gz BMPGTWDLUAKXGP-DJLDLDEBSA-N 2 0 171.288 0.016 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 306428822 345285848 /nfs/dbraw/zinc/28/58/48/345285848.db2.gz AGYCIRZVHPGEKS-IWSPIJDZSA-N 2 0 199.298 0.110 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 306428821 345285886 /nfs/dbraw/zinc/28/58/86/345285886.db2.gz AGYCIRZVHPGEKS-HRDYMLBCSA-N 2 0 199.298 0.110 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 306428820 345285892 /nfs/dbraw/zinc/28/58/92/345285892.db2.gz AGYCIRZVHPGEKS-DJLDLDEBSA-N 2 0 199.298 0.110 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 306428823 345286121 /nfs/dbraw/zinc/28/61/21/345286121.db2.gz AGYCIRZVHPGEKS-XHNCKOQMSA-N 2 0 199.298 0.110 20 0 ACADRP C[C@H]([NH3+])CN1CCCOC(C)(C)C1 306437906 345298421 /nfs/dbraw/zinc/29/84/21/345298421.db2.gz FRHAXQQAHVICQY-VIFPVBQESA-N 2 0 186.299 0.835 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H]2CC[N@H+](C)C[C@H]2C1 306441453 345302014 /nfs/dbraw/zinc/30/20/14/345302014.db2.gz SREBOIMVEDUKGB-AXFHLTTASA-N 3 0 197.326 0.217 20 0 ACADRP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1O 306463769 345324024 /nfs/dbraw/zinc/32/40/24/345324024.db2.gz ISIKTDVAYSXDQC-RKDXNWHRSA-N 2 0 186.299 0.426 20 0 ACADRP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1O 306463767 345324169 /nfs/dbraw/zinc/32/41/69/345324169.db2.gz ISIKTDVAYSXDQC-IUCAKERBSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@H]([NH3+])CN(C)C1CC[NH2+]CC1 306471528 345334688 /nfs/dbraw/zinc/33/46/88/345334688.db2.gz RZIWKMPUHBJSEK-QMMMGPOBSA-N 2 0 171.288 0.017 20 0 ACADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306476109 345341477 /nfs/dbraw/zinc/34/14/77/345341477.db2.gz XQIOOHKUYXDECK-AEJSXWLSSA-N 2 0 184.283 0.051 20 0 ACADRP C[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306476111 345341490 /nfs/dbraw/zinc/34/14/90/345341490.db2.gz XQIOOHKUYXDECK-IVZWLZJFSA-N 2 0 184.283 0.051 20 0 ACADRP C[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306476112 345341661 /nfs/dbraw/zinc/34/16/61/345341661.db2.gz XQIOOHKUYXDECK-LPEHRKFASA-N 2 0 184.283 0.051 20 0 ACADRP C[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306476110 345341680 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ACADRP C[C@@H]1CCC[C@@]1(C[NH3+])C1(O)C[NH2+]C1 306660758 345525183 /nfs/dbraw/zinc/52/51/83/345525183.db2.gz NFHDRPFARPQTSC-BDAKNGLRSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@H]1CCC[C@@]1(C[NH3+])C1(O)C[NH2+]C1 306660760 345525269 /nfs/dbraw/zinc/52/52/69/345525269.db2.gz NFHDRPFARPQTSC-IUCAKERBSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@H]1CCC[C@]1(C[NH3+])C1(O)C[NH2+]C1 306660759 345525423 /nfs/dbraw/zinc/52/54/23/345525423.db2.gz NFHDRPFARPQTSC-DTWKUNHWSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@@H]1CCC[C@]1(C[NH3+])C1(O)C[NH2+]C1 306660761 345525464 /nfs/dbraw/zinc/52/54/64/345525464.db2.gz NFHDRPFARPQTSC-RKDXNWHRSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@H](C[NH3+])[C@]1(O)CCC[NH2+][C@@H]1C 306666837 345529588 /nfs/dbraw/zinc/52/95/88/345529588.db2.gz ABNUXUKJTQPJRK-IWSPIJDZSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@@]1(O)[C@H](C)C[NH3+] 306666828 345529341 /nfs/dbraw/zinc/52/93/41/345529341.db2.gz ABNUXUKJTQPJRK-HRDYMLBCSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@]1(O)[C@H](C)C[NH3+] 306666845 345529531 /nfs/dbraw/zinc/52/95/31/345529531.db2.gz ABNUXUKJTQPJRK-VGMNWLOBSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@H](C[NH3+])[C@@]1(O)CCC[NH2+][C@@H]1C 306666819 345529675 /nfs/dbraw/zinc/52/96/75/345529675.db2.gz ABNUXUKJTQPJRK-HLTSFMKQSA-N 2 0 172.272 0.084 20 0 ACADRP [NH3+]C1CC[NH+](CC2CC[NH2+]CC2)CC1 306668513 345530904 /nfs/dbraw/zinc/53/09/04/345530904.db2.gz KHRCHKJBGFGTGV-UHFFFAOYSA-N 3 0 197.326 0.409 20 0 ACADRP CC(C)([NH3+])CC(=O)N1CCC[C@H]([NH3+])C1 306668216 345530972 /nfs/dbraw/zinc/53/09/72/345530972.db2.gz KEKICAKVFAIJHL-QMMMGPOBSA-N 2 0 199.298 0.064 20 0 ACADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 306668215 345530996 /nfs/dbraw/zinc/53/09/96/345530996.db2.gz KEKICAKVFAIJHL-MRVPVSSYSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@H]([NH3+])C[N@@H+]1CCC2(CC[NH2+]CC2)C1 306670367 345532544 /nfs/dbraw/zinc/53/25/44/345532544.db2.gz LQNPPQUBDIREJA-JTQLQIEISA-N 3 0 197.326 0.409 20 0 ACADRP CC[C@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1 306674743 345536946 /nfs/dbraw/zinc/53/69/46/345536946.db2.gz QYRFMCISJAKVPP-QMMMGPOBSA-N 2 0 199.298 0.064 20 0 ACADRP CC1(C)CN(CC[NH3+])CCCO1 306693149 345551371 /nfs/dbraw/zinc/55/13/71/345551371.db2.gz QXGJSTNRPGBSPK-UHFFFAOYSA-N 2 0 172.272 0.446 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 306701863 345556301 /nfs/dbraw/zinc/55/63/01/345556301.db2.gz ZKLXXHMTIYCOCT-AEJSXWLSSA-N 2 0 183.299 0.160 20 0 ACADRP C[C@@H]([NH3+])CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 306701864 345556486 /nfs/dbraw/zinc/55/64/86/345556486.db2.gz ZKLXXHMTIYCOCT-BBBLOLIVSA-N 2 0 183.299 0.160 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCF)C1 306709910 345562759 /nfs/dbraw/zinc/56/27/59/345562759.db2.gz SNYBJEOYKOYZNE-HTQZYQBOSA-N 2 0 160.236 0.815 20 0 ACADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCF)C1 306709912 345562928 /nfs/dbraw/zinc/56/29/28/345562928.db2.gz SNYBJEOYKOYZNE-JGVFFNPUSA-N 2 0 160.236 0.815 20 0 ACADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCF)C1 306710375 345563549 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/nfs/dbraw/zinc/58/06/73/345580673.db2.gz RZPTZCDDNLVDQV-GARJFASQSA-N 2 0 198.310 0.441 20 0 ACADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306732422 345580749 /nfs/dbraw/zinc/58/07/49/345580749.db2.gz RZPTZCDDNLVDQV-VWYCJHECSA-N 2 0 198.310 0.441 20 0 ACADRP CC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306732415 345580790 /nfs/dbraw/zinc/58/07/90/345580790.db2.gz RZPTZCDDNLVDQV-DCAQKATOSA-N 2 0 198.310 0.441 20 0 ACADRP CC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306732420 345580827 /nfs/dbraw/zinc/58/08/27/345580827.db2.gz RZPTZCDDNLVDQV-OUAUKWLOSA-N 2 0 198.310 0.441 20 0 ACADRP CN(Cc1ccnn1C)C1CC([NH3+])C1 306742523 345586843 /nfs/dbraw/zinc/58/68/43/345586843.db2.gz VYMINEZPPWFFSF-UHFFFAOYSA-N 2 0 194.282 0.342 20 0 ACADRP C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 306748173 345589836 /nfs/dbraw/zinc/58/98/36/345589836.db2.gz GSTPDAIPCKJTJN-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP C[N@H+](CC1CC[NH2+]CC1)C1CC(O)C1 306760436 345596519 /nfs/dbraw/zinc/59/65/19/345596519.db2.gz XXKPCKNKSVBMPE-UHFFFAOYSA-N 2 0 198.310 0.441 20 0 ACADRP C[C@H]([NH3+])c1ccc(NC(=O)C[NH3+])cc1 306766950 345601663 /nfs/dbraw/zinc/60/16/63/345601663.db2.gz XNYOPSZRHBOGEE-ZETCQYMHSA-N 2 0 193.250 0.604 20 0 ACADRP [NH3+]C1CCN(C[C@@H]2CC[NH2+]C2)CC1 306791191 345616891 /nfs/dbraw/zinc/61/68/91/345616891.db2.gz WQEFQVVUCRUSEV-SECBINFHSA-N 2 0 183.299 0.019 20 0 ACADRP [NH3+]C1CCN(C[C@H]2CC[NH2+]C2)CC1 306791192 345616926 /nfs/dbraw/zinc/61/69/26/345616926.db2.gz WQEFQVVUCRUSEV-VIFPVBQESA-N 2 0 183.299 0.019 20 0 ACADRP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1CC[NH2+]C1 306888336 345684605 /nfs/dbraw/zinc/68/46/05/345684605.db2.gz VTKNQZARWNGDBN-MXWKQRLJSA-N 2 0 197.326 0.265 20 0 ACADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1CC[NH2+]C1 306888337 345684662 /nfs/dbraw/zinc/68/46/62/345684662.db2.gz VTKNQZARWNGDBN-OUAUKWLOSA-N 2 0 197.326 0.265 20 0 ACADRP C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1CC[NH2+]C1 306888338 345684720 /nfs/dbraw/zinc/68/47/20/345684720.db2.gz VTKNQZARWNGDBN-VWYCJHECSA-N 2 0 197.326 0.265 20 0 ACADRP C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1CC[NH2+]C1 306888335 345684871 /nfs/dbraw/zinc/68/48/71/345684871.db2.gz VTKNQZARWNGDBN-GMTAPVOTSA-N 2 0 197.326 0.265 20 0 ACADRP C[N@@H+]1C[C@@H]2CN(CC(C)(C)[NH3+])C[C@@H]2C1 306891103 345687621 /nfs/dbraw/zinc/68/76/21/345687621.db2.gz ZUMBIFHDENGCJT-AOOOYVTPSA-N 2 0 197.326 0.217 20 0 ACADRP C[C@]1(CN2CCC([NH3+])CC2)CC[NH2+]C1 306927205 345702622 /nfs/dbraw/zinc/70/26/22/345702622.db2.gz SMVNSJXTHRWQCI-NSHDSACASA-N 2 0 197.326 0.409 20 0 ACADRP C[C@@H](C[NH3+])[C@@]1(O)CC[C@@H](C)[NH2+]C1 306961456 345720649 /nfs/dbraw/zinc/72/06/49/345720649.db2.gz BQAZIHZGYQRFLD-DJLDLDEBSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@@H]1CC[C@@](O)([C@H](C)C[NH3+])C[NH2+]1 306962003 345721038 /nfs/dbraw/zinc/72/10/38/345721038.db2.gz BQAZIHZGYQRFLD-HLTSFMKQSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@@H]1CC[C@](O)([C@H](C)C[NH3+])C[NH2+]1 306962004 345721216 /nfs/dbraw/zinc/72/12/16/345721216.db2.gz BQAZIHZGYQRFLD-IWSPIJDZSA-N 2 0 172.272 0.084 20 0 ACADRP C[C@@H](C[NH3+])[C@]1(O)CC[C@@H](C)[NH2+]C1 306962005 345721365 /nfs/dbraw/zinc/72/13/65/345721365.db2.gz BQAZIHZGYQRFLD-YIZRAAEISA-N 2 0 172.272 0.084 20 0 ACADRP CN(CC[NH3+])[C@H]1CCC[NH2+]CC1 306976162 345729636 /nfs/dbraw/zinc/72/96/36/345729636.db2.gz AEINZIWCLDPKTE-VIFPVBQESA-N 2 0 171.288 0.019 20 0 ACADRP [NH3+]CC[C@]1(O)CC[C@H]2C[NH2+]C[C@H]2C1 306985793 345735366 /nfs/dbraw/zinc/73/53/66/345735366.db2.gz WTHIOFDEQGKIKQ-IVZWLZJFSA-N 2 0 184.283 0.086 20 0 ACADRP [NH3+]CC[C@]1(O)CC[C@@H]2C[NH2+]C[C@H]2C1 306985796 345735408 /nfs/dbraw/zinc/73/54/08/345735408.db2.gz WTHIOFDEQGKIKQ-OPRDCNLKSA-N 2 0 184.283 0.086 20 0 ACADRP [NH3+]CC[C@]1(O)CC[C@H]2C[NH2+]C[C@@H]2C1 306985795 345735455 /nfs/dbraw/zinc/73/54/55/345735455.db2.gz WTHIOFDEQGKIKQ-LPEHRKFASA-N 2 0 184.283 0.086 20 0 ACADRP [NH3+]CC[C@]1(O)CC[C@@H]2C[NH2+]C[C@@H]2C1 306985794 345735479 /nfs/dbraw/zinc/73/54/79/345735479.db2.gz WTHIOFDEQGKIKQ-KXUCPTDWSA-N 2 0 184.283 0.086 20 0 ACADRP CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 307004315 345746267 /nfs/dbraw/zinc/74/62/67/345746267.db2.gz DFJKOXVVPUKBAY-VHSXEESVSA-N 2 0 168.284 0.938 20 0 ACADRP CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307004317 345746354 /nfs/dbraw/zinc/74/63/54/345746354.db2.gz DFJKOXVVPUKBAY-ZJUUUORDSA-N 2 0 168.284 0.938 20 0 ACADRP CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 307004312 345746382 /nfs/dbraw/zinc/74/63/82/345746382.db2.gz DFJKOXVVPUKBAY-UWVGGRQHSA-N 2 0 168.284 0.938 20 0 ACADRP CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307004310 345746390 /nfs/dbraw/zinc/74/63/90/345746390.db2.gz DFJKOXVVPUKBAY-NXEZZACHSA-N 2 0 168.284 0.938 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]([NH3+])C[C@@H]1C 307082020 345799180 /nfs/dbraw/zinc/79/91/80/345799180.db2.gz PSXFPEASBCDQPO-XHNCKOQMSA-N 2 0 171.288 0.145 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([NH3+])C[C@H]1C 307082021 345799320 /nfs/dbraw/zinc/79/93/20/345799320.db2.gz PSXFPEASBCDQPO-YIZRAAEISA-N 2 0 171.288 0.145 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]([NH3+])C[C@H]1C 307082019 345799445 /nfs/dbraw/zinc/79/94/45/345799445.db2.gz PSXFPEASBCDQPO-DJLDLDEBSA-N 2 0 171.288 0.145 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]([NH3+])C[C@@H]1C 307082018 345799503 /nfs/dbraw/zinc/79/95/03/345799503.db2.gz PSXFPEASBCDQPO-CIUDSAMLSA-N 2 0 171.288 0.145 20 0 ACADRP CC[C@H](C)[N@@H+]1CCCO[C@@H](CN)C1 307094587 345806508 /nfs/dbraw/zinc/80/65/08/345806508.db2.gz FIFAQLHSMISEGF-UWVGGRQHSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH3+] 307146604 345839850 /nfs/dbraw/zinc/83/98/50/345839850.db2.gz HGIUBMLAKHXULU-VQVTYTSYSA-N 2 0 128.219 0.332 20 0 ACADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH3+] 307146602 345839973 /nfs/dbraw/zinc/83/99/73/345839973.db2.gz HGIUBMLAKHXULU-QYNIQEEDSA-N 2 0 128.219 0.332 20 0 ACADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH3+] 307146601 345840020 /nfs/dbraw/zinc/84/00/20/345840020.db2.gz HGIUBMLAKHXULU-FSDSQADBSA-N 2 0 128.219 0.332 20 0 ACADRP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] 307146599 345840038 /nfs/dbraw/zinc/84/00/38/345840038.db2.gz HGIUBMLAKHXULU-DSYKOEDSSA-N 2 0 128.219 0.332 20 0 ACADRP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 307183110 345871608 /nfs/dbraw/zinc/87/16/08/345871608.db2.gz PABVCPSDOKDBIA-VIFPVBQESA-N 2 0 194.282 0.499 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCN(Cc2cc[nH]n2)C1 307195763 345881357 /nfs/dbraw/zinc/88/13/57/345881357.db2.gz RWMXBMAWYKXPBG-IUCAKERBSA-N 2 0 194.282 0.579 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2cc[nH]n2)C1 307195762 345881391 /nfs/dbraw/zinc/88/13/91/345881391.db2.gz RWMXBMAWYKXPBG-DTWKUNHWSA-N 2 0 194.282 0.579 20 0 ACADRP C[C@]1(CN2CC[C@H](C[NH3+])C2)CC[NH2+]C1 307211287 345893906 /nfs/dbraw/zinc/89/39/06/345893906.db2.gz SRJWYQZEVQPOKO-MNOVXSKESA-N 2 0 197.326 0.267 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCN(Cc2ccon2)C1 307224055 345902282 /nfs/dbraw/zinc/90/22/82/345902282.db2.gz RYOHGWNWUYVLET-IUCAKERBSA-N 2 0 195.266 0.844 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccon2)C1 307224054 345902521 /nfs/dbraw/zinc/90/25/21/345902521.db2.gz RYOHGWNWUYVLET-DTWKUNHWSA-N 2 0 195.266 0.844 20 0 ACADRP COCCN1C[C@@H]([NH3+])C[C@H]1C 307275400 345941433 /nfs/dbraw/zinc/94/14/33/345941433.db2.gz QWHQIDMIMMETCL-SFYZADRCSA-N 2 0 158.245 0.054 20 0 ACADRP COCCN1C[C@H]([NH3+])C[C@H]1C 307275398 345941504 /nfs/dbraw/zinc/94/15/04/345941504.db2.gz QWHQIDMIMMETCL-HTQZYQBOSA-N 2 0 158.245 0.054 20 0 ACADRP COCCN1C[C@@H]([NH3+])C[C@@H]1C 307275401 345941520 /nfs/dbraw/zinc/94/15/20/345941520.db2.gz QWHQIDMIMMETCL-YUMQZZPRSA-N 2 0 158.245 0.054 20 0 ACADRP COCCN1C[C@H]([NH3+])C[C@@H]1C 307275399 345941600 /nfs/dbraw/zinc/94/16/00/345941600.db2.gz QWHQIDMIMMETCL-JGVFFNPUSA-N 2 0 158.245 0.054 20 0 ACADRP CN(Cc1ccno1)C1CC([NH3+])C1 307295029 345952537 /nfs/dbraw/zinc/95/25/37/345952537.db2.gz CVWVBTBSXKBUQG-UHFFFAOYSA-N 2 0 181.239 0.596 20 0 ACADRP CN1CC[C@](O)(C[NH2+]C2CCCC2)C1 307302376 345957168 /nfs/dbraw/zinc/95/71/68/345957168.db2.gz VENCWLSBUWWTBI-NSHDSACASA-N 2 0 198.310 0.585 20 0 ACADRP C1COCC[C@@H](N[C@H]2CC[NH2+]C2)C1 307336066 345978863 /nfs/dbraw/zinc/97/88/63/345978863.db2.gz NNHJPKIXIVNPSU-UWVGGRQHSA-N 2 0 184.283 0.507 20 0 ACADRP C1COCC[C@@H](N[C@@H]2CC[NH2+]C2)C1 307336067 345978897 /nfs/dbraw/zinc/97/88/97/345978897.db2.gz NNHJPKIXIVNPSU-VHSXEESVSA-N 2 0 184.283 0.507 20 0 ACADRP C1COCC[C@H](N[C@@H]2CC[NH2+]C2)C1 307336065 345979080 /nfs/dbraw/zinc/97/90/80/345979080.db2.gz NNHJPKIXIVNPSU-NXEZZACHSA-N 2 0 184.283 0.507 20 0 ACADRP C1COCC[C@H](N[C@H]2CC[NH2+]C2)C1 307336068 345979173 /nfs/dbraw/zinc/97/91/73/345979173.db2.gz NNHJPKIXIVNPSU-ZJUUUORDSA-N 2 0 184.283 0.507 20 0 ACADRP C[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 307342676 345983195 /nfs/dbraw/zinc/98/31/95/345983195.db2.gz WBFWHVJTBIQRBM-RKDXNWHRSA-N 2 0 172.272 0.038 20 0 ACADRP CN(CCF)C1CC([NH3+])C1 307446580 346045424 /nfs/dbraw/zinc/04/54/24/346045424.db2.gz PKLOHEBRFOSJQI-UHFFFAOYSA-N 2 0 146.209 0.377 20 0 ACADRP CN(CC[NH3+])C1C[C@@H]2CC[C@H](C1)[NH2+]2 307456371 346051649 /nfs/dbraw/zinc/05/16/49/346051649.db2.gz DNCBEJNEJIOUTR-ULKQDVFKSA-N 2 0 183.299 0.160 20 0 ACADRP C[C@H]1[NH2+]CCC[C@@]1(O)C(C)(C)C[NH3+] 307489654 346071011 /nfs/dbraw/zinc/07/10/11/346071011.db2.gz FGSGOSYEOLXLKG-SCZZXKLOSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@@]1(O)C(C)(C)C[NH3+] 307489697 346071285 /nfs/dbraw/zinc/07/12/85/346071285.db2.gz FGSGOSYEOLXLKG-WPRPVWTQSA-N 2 0 186.299 0.474 20 0 ACADRP C[C@@H]1C[NH2+]CC[C@]1(O)C1(C[NH3+])CC1 307511777 346083145 /nfs/dbraw/zinc/08/31/45/346083145.db2.gz DMNWVMFOJATZEK-PSASIEDQSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@H]1C[NH2+]CC[C@@]1(O)C1(C[NH3+])CC1 307511780 346083484 /nfs/dbraw/zinc/08/34/84/346083484.db2.gz DMNWVMFOJATZEK-WPRPVWTQSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@@H]1C[NH2+]CC[C@@]1(O)C1(C[NH3+])CC1 307511778 346083489 /nfs/dbraw/zinc/08/34/89/346083489.db2.gz DMNWVMFOJATZEK-SCZZXKLOSA-N 2 0 184.283 0.086 20 0 ACADRP C[C@H]([NH3+])C1CC[NH+](CC(C)(C)[NH3+])CC1 307515547 346085846 /nfs/dbraw/zinc/08/58/46/346085846.db2.gz PDRDZKIXOIEYQH-VIFPVBQESA-N 3 0 199.342 0.783 20 0 ACADRP C[N@@H+]1CCC[C@](O)(C2(C[NH3+])CC2)C1 307526485 346092097 /nfs/dbraw/zinc/09/20/97/346092097.db2.gz JYRUUKXSUZUTSB-SNVBAGLBSA-N 2 0 184.283 0.182 20 0 ACADRP C[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CC2)C1 307526484 346092121 /nfs/dbraw/zinc/09/21/21/346092121.db2.gz JYRUUKXSUZUTSB-JTQLQIEISA-N 2 0 184.283 0.182 20 0 ACADRP Cc1ncn(CC2C[NH2+]C2)c1C 307534088 346096927 /nfs/dbraw/zinc/09/69/27/346096927.db2.gz BFNCGQCFGWUBII-UHFFFAOYSA-N 2 0 165.240 0.719 20 0 ACADRP C[C@H]1[NH2+]CCC[C@]1(O)C1(C[NH3+])CC1 307574665 346122597 /nfs/dbraw/zinc/12/25/97/346122597.db2.gz IFQIENFUKGCDTL-PSASIEDQSA-N 2 0 184.283 0.228 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@]1(O)C1(C[NH3+])CC1 307574669 346122623 /nfs/dbraw/zinc/12/26/23/346122623.db2.gz IFQIENFUKGCDTL-WCBMZHEXSA-N 2 0 184.283 0.228 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@@]1(O)C1(C[NH3+])CC1 307574671 346122635 /nfs/dbraw/zinc/12/26/35/346122635.db2.gz IFQIENFUKGCDTL-WPRPVWTQSA-N 2 0 184.283 0.228 20 0 ACADRP C[C@H]1[NH2+]CCC[C@@]1(O)C1(C[NH3+])CC1 307574667 346122677 /nfs/dbraw/zinc/12/26/77/346122677.db2.gz IFQIENFUKGCDTL-SCZZXKLOSA-N 2 0 184.283 0.228 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCCN(CC[NH3+])C1 307621975 346153042 /nfs/dbraw/zinc/15/30/42/346153042.db2.gz GLSAYXXKUNKCRX-DTWKUNHWSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@H]1CN(CC(C)(C)[NH3+])CC[C@@H]1[NH3+] 307624260 346154108 /nfs/dbraw/zinc/15/41/08/346154108.db2.gz IJQNYZONOWQLGW-IUCAKERBSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]1CN(CC(C)(C)[NH3+])CC[C@H]1[NH3+] 307624259 346154340 /nfs/dbraw/zinc/15/43/40/346154340.db2.gz IJQNYZONOWQLGW-DTWKUNHWSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]1C[C@H](C[NH3+])CN1CC(C)(C)[NH3+] 307633118 346159170 /nfs/dbraw/zinc/15/91/70/346159170.db2.gz QTAPXCUVLIWGGO-DTWKUNHWSA-N 3 0 185.315 0.393 20 0 ACADRP C[C@H]1C[C@@H](C[NH3+])CN1CC(C)(C)[NH3+] 307633119 346159571 /nfs/dbraw/zinc/15/95/71/346159571.db2.gz QTAPXCUVLIWGGO-IUCAKERBSA-N 3 0 185.315 0.393 20 0 ACADRP CC1(C)[C@H]2C[N@H+](CCC[NH3+])C[C@H]21 307638609 346162120 /nfs/dbraw/zinc/16/21/20/346162120.db2.gz YJCJKXBJCPCXOL-DTORHVGOSA-N 2 0 168.284 0.923 20 0 ACADRP C[NH+]1CCC(O)(C2(C[NH3+])CC2)CC1 307657383 346168241 /nfs/dbraw/zinc/16/82/41/346168241.db2.gz BJPIXAACJLLPTK-UHFFFAOYSA-N 2 0 184.283 0.182 20 0 ACADRP C[C@H]1C[C@](O)(C2(C[NH3+])CC2)C[N@@H+]1C 307667885 346173339 /nfs/dbraw/zinc/17/33/39/346173339.db2.gz PODLMXAOBJEIDR-WCBMZHEXSA-N 2 0 184.283 0.180 20 0 ACADRP C[C@@H]1C[C@@](O)(C2(C[NH3+])CC2)C[N@@H+]1C 307667884 346173361 /nfs/dbraw/zinc/17/33/61/346173361.db2.gz PODLMXAOBJEIDR-SCZZXKLOSA-N 2 0 184.283 0.180 20 0 ACADRP C[C@H]1C[C@@](O)(C2(C[NH3+])CC2)C[N@@H+]1C 307667886 346173448 /nfs/dbraw/zinc/17/34/48/346173448.db2.gz PODLMXAOBJEIDR-WPRPVWTQSA-N 2 0 184.283 0.180 20 0 ACADRP C[C@@H]1C[C@](O)(C2(C[NH3+])CC2)C[N@@H+]1C 307667883 346173490 /nfs/dbraw/zinc/17/34/90/346173490.db2.gz PODLMXAOBJEIDR-PSASIEDQSA-N 2 0 184.283 0.180 20 0 ACADRP C[NH2+]C1CCN(CC(C)(C)[NH3+])CC1 307683693 346181462 /nfs/dbraw/zinc/18/14/62/346181462.db2.gz UXJRKIIKMNBISX-UHFFFAOYSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@](C)(C[NH3+])C1 307686539 346183351 /nfs/dbraw/zinc/18/33/51/346183351.db2.gz CXSAHWSHIXAQJV-IUCAKERBSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@](C)(C[NH3+])C1 307686538 346183386 /nfs/dbraw/zinc/18/33/86/346183386.db2.gz CXSAHWSHIXAQJV-DTWKUNHWSA-N 2 0 171.288 0.004 20 0 ACADRP CC1([NH3+])CC[NH+]([C@@H]2CCOC2)CC1 307711349 346197172 /nfs/dbraw/zinc/19/71/72/346197172.db2.gz SXFDVEPRZQDKOM-SECBINFHSA-N 2 0 184.283 0.589 20 0 ACADRP C[NH+](C)C[C@@H](O)CC1(C[NH3+])CCC1 308196297 346268272 /nfs/dbraw/zinc/26/82/72/346268272.db2.gz MVFPEXVJRARCRB-VIFPVBQESA-N 2 0 186.299 0.428 20 0 ACADRP C[NH+](C)C[C@H](O)CC1(C[NH3+])CCC1 308196296 346268527 /nfs/dbraw/zinc/26/85/27/346268527.db2.gz MVFPEXVJRARCRB-SECBINFHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@H]([NH3+])CCNC(=O)CC1([NH3+])CCC1 309019515 346319833 /nfs/dbraw/zinc/31/98/33/346319833.db2.gz 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334869025 346368456 /nfs/dbraw/zinc/36/84/56/346368456.db2.gz OAQMXXPFTFHFES-UHFFFAOYSA-N 3 0 197.326 0.408 20 0 ACADRP C[C@H]1CCNC[C@@H]1[NH2+]CC1CC1 334866060 346368500 /nfs/dbraw/zinc/36/85/00/346368500.db2.gz VXUYQGOVRAOGAZ-WPRPVWTQSA-N 2 0 168.284 0.984 20 0 ACADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 334888632 346368802 /nfs/dbraw/zinc/36/88/02/346368802.db2.gz IJYRRQUQCJYDOP-MNOVXSKESA-N 2 0 198.310 0.659 20 0 ACADRP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 334888630 346368861 /nfs/dbraw/zinc/36/88/61/346368861.db2.gz IJYRRQUQCJYDOP-GHMZBOCLSA-N 2 0 198.310 0.659 20 0 ACADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 334888636 346368946 /nfs/dbraw/zinc/36/89/46/346368946.db2.gz IJYRRQUQCJYDOP-WDEREUQCSA-N 2 0 198.310 0.659 20 0 ACADRP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 334888633 346369302 /nfs/dbraw/zinc/36/93/02/346369302.db2.gz IJYRRQUQCJYDOP-QWRGUYRKSA-N 2 0 198.310 0.659 20 0 ACADRP CN(CC[NH3+])C(=O)C1([NH3+])CCCCC1 334959621 346371150 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335605917 346408448 /nfs/dbraw/zinc/40/84/48/346408448.db2.gz AKISUWPHSKNSOW-IUCAKERBSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH3+] 336282091 346451683 /nfs/dbraw/zinc/45/16/83/346451683.db2.gz JOKRSDSOGOCOSA-DTWKUNHWSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH3+] 336282092 346451900 /nfs/dbraw/zinc/45/19/00/346451900.db2.gz JOKRSDSOGOCOSA-IUCAKERBSA-N 2 0 199.298 0.064 20 0 ACADRP CC(C)([NH3+])C[NH2+]CC1=CCCOC1 379737070 346528970 /nfs/dbraw/zinc/52/89/70/346528970.db2.gz QHDCEFMNPTZXLD-UHFFFAOYSA-N 2 0 184.283 0.660 20 0 ACADRP C[C@@H](C[NH3+])C[NH2+]CC1=CCCOC1 379734293 346529272 /nfs/dbraw/zinc/52/92/72/346529272.db2.gz CSXUXHOWMRWJEF-VIFPVBQESA-N 2 0 184.283 0.518 20 0 ACADRP C[C@@H]1OCC[C@H]1C[N@H+](C)CCC[NH3+] 382066722 346532265 /nfs/dbraw/zinc/53/22/65/346532265.db2.gz QUSMTZYROIAYGB-UWVGGRQHSA-N 2 0 186.299 0.692 20 0 ACADRP C[C@H]1OCC[C@@H]1C[N@H+](C)CCC[NH3+] 382066721 346532349 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0 186.299 0.738 20 0 ACADRP C[C@H](CCCCO)[NH2+][C@@H]1CC[NH2+]C1 398578541 346596245 /nfs/dbraw/zinc/59/62/45/346596245.db2.gz KQLUKWVKFNHRPS-NXEZZACHSA-N 2 0 186.299 0.489 20 0 ACADRP C[C@@H](CCCCO)[NH2+][C@@H]1CC[NH2+]C1 398578543 346596672 /nfs/dbraw/zinc/59/66/72/346596672.db2.gz KQLUKWVKFNHRPS-VHSXEESVSA-N 2 0 186.299 0.489 20 0 ACADRP CC1(CO)CC[NH+](CCC[NH3+])CC1 402936228 346633519 /nfs/dbraw/zinc/63/35/19/346633519.db2.gz VJFPJHUVKIKBPG-UHFFFAOYSA-N 2 0 186.299 0.430 20 0 ACADRP CC1(C)[C@@H]([NH2+][C@H]2CCOC2)C[C@H]1[NH3+] 405289390 346662669 /nfs/dbraw/zinc/66/26/69/346662669.db2.gz INEMZYKHPRVUFP-YIZRAAEISA-N 2 0 184.283 0.491 20 0 ACADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H]1CCOC1 405289384 346662930 /nfs/dbraw/zinc/66/29/30/346662930.db2.gz INEMZYKHPRVUFP-DJLDLDEBSA-N 2 0 184.283 0.491 20 0 ACADRP CC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405378492 346664683 /nfs/dbraw/zinc/66/46/83/346664683.db2.gz IIZHEISFBWYYRH-NKWVEPMBSA-N 2 0 142.246 0.722 20 0 ACADRP CC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405378491 346664900 /nfs/dbraw/zinc/66/49/00/346664900.db2.gz IIZHEISFBWYYRH-BQBZGAKWSA-N 2 0 142.246 0.722 20 0 ACADRP CC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405378493 346664979 /nfs/dbraw/zinc/66/49/79/346664979.db2.gz IIZHEISFBWYYRH-RNFRBKRXSA-N 2 0 142.246 0.722 20 0 ACADRP CC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405378494 346664983 /nfs/dbraw/zinc/66/49/83/346664983.db2.gz IIZHEISFBWYYRH-RQJHMYQMSA-N 2 0 142.246 0.722 20 0 ACADRP [NH3+]CCN1CCC[C@@H](CF)C1 409429784 346689277 /nfs/dbraw/zinc/68/92/77/346689277.db2.gz PGCIUXTUPQPPIO-QMMMGPOBSA-N 2 0 160.236 0.627 20 0 ACADRP [NH3+]CCN1CCC[C@H](CF)C1 409429783 346689311 /nfs/dbraw/zinc/68/93/11/346689311.db2.gz PGCIUXTUPQPPIO-MRVPVSSYSA-N 2 0 160.236 0.627 20 0 ACADRP [NH3+]CCN1CC[C@H](CF)C1 409430655 346690756 /nfs/dbraw/zinc/69/07/56/346690756.db2.gz QZDFIMRQMVCNDO-SSDOTTSWSA-N 2 0 146.209 0.237 20 0 ACADRP [NH3+]CCN1CC[C@@H](CF)C1 409430659 346691129 /nfs/dbraw/zinc/69/11/29/346691129.db2.gz QZDFIMRQMVCNDO-ZETCQYMHSA-N 2 0 146.209 0.237 20 0 ACADRP [NH3+]CCC[N@@H+]1CC[C@@H](CF)C1 409431083 346691398 /nfs/dbraw/zinc/69/13/98/346691398.db2.gz RTLIYSUWZAONNK-QMMMGPOBSA-N 2 0 160.236 0.627 20 0 ACADRP [NH3+]CCC[N@@H+]1CC[C@H](CF)C1 409431082 346691495 /nfs/dbraw/zinc/69/14/95/346691495.db2.gz RTLIYSUWZAONNK-MRVPVSSYSA-N 2 0 160.236 0.627 20 0 ACADRP [NH3+]CCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 409433302 346695941 /nfs/dbraw/zinc/69/59/41/346695941.db2.gz MLMNENORIQGDOT-WDEREUQCSA-N 2 0 198.310 0.430 20 0 ACADRP C[NH2+]C[C@@H](O)CC1(C[NH3+])CCCC1 536956445 346712839 /nfs/dbraw/zinc/71/28/39/346712839.db2.gz XKJRYZGNOMZFHU-VIFPVBQESA-N 2 0 186.299 0.476 20 0 ACADRP C[NH2+]C[C@H](O)CC1(C[NH3+])CCCC1 536956442 346712962 /nfs/dbraw/zinc/71/29/62/346712962.db2.gz XKJRYZGNOMZFHU-SECBINFHSA-N 2 0 186.299 0.476 20 0 ACADRP NC1=[NH+]CCC12CC[NH2+]CC2 584624164 346732424 /nfs/dbraw/zinc/73/24/24/346732424.db2.gz CXNPFUNWCMPQNW-UHFFFAOYSA-N 2 0 153.229 0.327 20 0 ACADRP C[NH2+][C@@H]1CCCC[C@@H]1C(N)=[NH2+] 584880691 346747790 /nfs/dbraw/zinc/74/77/90/346747790.db2.gz ANCWURFWTBHVEZ-NKWVEPMBSA-N 2 0 155.245 0.701 20 0 ACADRP C[NH2+][C@H]1CCCC[C@H]1C(N)=[NH2+] 584880694 346747818 /nfs/dbraw/zinc/74/78/18/346747818.db2.gz ANCWURFWTBHVEZ-RQJHMYQMSA-N 2 0 155.245 0.701 20 0 ACADRP C[NH2+][C@@H]1CCCC[C@H]1C(N)=[NH2+] 584880693 346747883 /nfs/dbraw/zinc/74/78/83/346747883.db2.gz ANCWURFWTBHVEZ-RNFRBKRXSA-N 2 0 155.245 0.701 20 0 ACADRP NC(=[NH2+])c1ccc2c(c1)C[NH2+]CC2 584880663 346747892 /nfs/dbraw/zinc/74/78/92/346747892.db2.gz AKAWVMUCDBUREQ-UHFFFAOYSA-N 2 0 175.235 0.616 20 0 ACADRP C[NH2+][C@H]1CCCC[C@@H]1C(N)=[NH2+] 584880682 346747918 /nfs/dbraw/zinc/74/79/18/346747918.db2.gz ANCWURFWTBHVEZ-BQBZGAKWSA-N 2 0 155.245 0.701 20 0 ACADRP C[NH2+][C@H]1CCC[C@@H]1C(N)=[NH2+] 584881391 346748349 /nfs/dbraw/zinc/74/83/49/346748349.db2.gz RGYYBPIPYCPTBW-WDSKDSINSA-N 2 0 141.218 0.310 20 0 ACADRP C[NH2+][C@H]1CCC[C@H]1C(N)=[NH2+] 584881390 346748396 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MSUBFORLJQUUMC-MRVPVSSYSA-N 2 0 186.303 0.446 20 0 ACADRP C1CC(CSC2C[NH2+]C2)CC[NH2+]1 592175311 346828372 /nfs/dbraw/zinc/82/83/72/346828372.db2.gz OCWGDLRQEKUSHD-UHFFFAOYSA-N 2 0 186.324 0.691 20 0 ACADRP CSCC[NH2+][C@H]1CCC[C@H]1[NH3+] 596652455 346879159 /nfs/dbraw/zinc/87/91/59/346879159.db2.gz URHHNDMLFJYFEG-SFYZADRCSA-N 2 0 174.313 0.819 20 0 ACADRP CSCC[NH2+][C@@H]1CCC[C@H]1[NH3+] 596652453 346879399 /nfs/dbraw/zinc/87/93/99/346879399.db2.gz URHHNDMLFJYFEG-HTQZYQBOSA-N 2 0 174.313 0.819 20 0 ACADRP CSCC[NH2+][C@@H](C)C1C[NH2+]C1 596651046 346879441 /nfs/dbraw/zinc/87/94/41/346879441.db2.gz OFCNPYLLJVDUSR-ZETCQYMHSA-N 2 0 174.313 0.547 20 0 ACADRP CSCC[NH2+][C@H]1CCC[C@@H]1[NH3+] 596652456 346879499 /nfs/dbraw/zinc/87/94/99/346879499.db2.gz URHHNDMLFJYFEG-YUMQZZPRSA-N 2 0 174.313 0.819 20 0 ACADRP CSCC[NH2+][C@H](C)C1C[NH2+]C1 596651045 346879529 /nfs/dbraw/zinc/87/95/29/346879529.db2.gz OFCNPYLLJVDUSR-SSDOTTSWSA-N 2 0 174.313 0.547 20 0 ACADRP CSCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] 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/nfs/dbraw/zinc/23/66/90/347236690.db2.gz NMQPRTAGHFADNK-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@H]([NH3+])CC[NH2+]C1CCC(O)CC1 622044483 347236728 /nfs/dbraw/zinc/23/67/28/347236728.db2.gz HPRZBSALJPORLS-IDKOKCKLSA-N 2 0 186.299 0.617 20 0 ACADRP C[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 622044947 347237197 /nfs/dbraw/zinc/23/71/97/347237197.db2.gz YIKIBXAZEKDZBK-SGIHWFKDSA-N 2 0 186.299 0.879 20 0 ACADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CCCO1 622045173 347237236 /nfs/dbraw/zinc/23/72/36/347237236.db2.gz FTHTTZXLYDRZFN-LPEHRKFASA-N 2 0 186.299 0.881 20 0 ACADRP C[C@H]([NH3+])CCN[C@H](C)[C@H]1CCC[NH2+]1 622044964 347237270 /nfs/dbraw/zinc/23/72/70/347237270.db2.gz YUVUNHNEBLXCFW-IVZWLZJFSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])CCN[C@@H](C)[C@H]1CCC[NH2+]1 622044965 347237274 /nfs/dbraw/zinc/23/72/74/347237274.db2.gz YUVUNHNEBLXCFW-LPEHRKFASA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)O[C@H]1C 622044945 347237293 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623758063 347263296 /nfs/dbraw/zinc/26/32/96/347263296.db2.gz NVLQTFCKXWJXTN-SNVBAGLBSA-N 2 0 184.283 0.053 20 0 ACADRP CC(C)C[NH2+]CCN1CC[C@@H](O)C1 623756781 347263572 /nfs/dbraw/zinc/26/35/72/347263572.db2.gz FQYXYLZYUOHBFU-SNVBAGLBSA-N 2 0 186.299 0.299 20 0 ACADRP C[NH2+]CCOCC[N@H+](C)CCCF 629571127 347351856 /nfs/dbraw/zinc/35/18/56/347351856.db2.gz QFXLTJQURDESBV-UHFFFAOYSA-N 2 0 192.278 0.514 20 0 ACADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOCC1 629407521 347342851 /nfs/dbraw/zinc/34/28/51/347342851.db2.gz CHHMKTWMJQHGSM-HBNTYKKESA-N 2 0 198.310 0.896 20 0 ACADRP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCOCC1 629407520 347342857 /nfs/dbraw/zinc/34/28/57/347342857.db2.gz CHHMKTWMJQHGSM-GARJFASQSA-N 2 0 198.310 0.896 20 0 ACADRP COC1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 629409932 347344124 /nfs/dbraw/zinc/34/41/24/347344124.db2.gz YZMLIKUYCWSHLL-HSOILSAZSA-N 2 0 198.310 0.896 20 0 ACADRP C[C@H](NC[C@H]1CCC[N@@H+]1C)C1C[NH2+]C1 629517971 347344901 /nfs/dbraw/zinc/34/49/01/347344901.db2.gz 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NYSLIFFKLJINAD-JTQLQIEISA-N 2 0 187.331 0.416 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN(C)C1CC([NH3+])C1 634994608 347433724 /nfs/dbraw/zinc/43/37/24/347433724.db2.gz IUIFXKYQQRELTF-WHXUTIOJSA-N 2 0 199.342 0.639 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNC[C@H]1CCC[NH2+]1 634995205 347433732 /nfs/dbraw/zinc/43/37/32/347433732.db2.gz YBMCCLYOGFHXCK-WDEREUQCSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@H](C[NH3+])CNC[C@@H]1CCC[NH2+]1 634995203 347433746 /nfs/dbraw/zinc/43/37/46/347433746.db2.gz YBMCCLYOGFHXCK-MNOVXSKESA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@H](C[NH3+])CNC1CC[NH2+]CC1 634994426 347433817 /nfs/dbraw/zinc/43/38/17/347433817.db2.gz CLMTXBZDFOTZHD-SNVBAGLBSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNCC(C)(C)[NH3+] 634995181 347433826 /nfs/dbraw/zinc/43/38/26/347433826.db2.gz XROSTGJIAAMQKF-VIFPVBQESA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNC1CC[NH2+]CC1 634994425 347433887 /nfs/dbraw/zinc/43/38/87/347433887.db2.gz CLMTXBZDFOTZHD-JTQLQIEISA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@H](C[NH3+])CNCC(C)(C)[NH3+] 634995180 347433908 /nfs/dbraw/zinc/43/39/08/347433908.db2.gz XROSTGJIAAMQKF-SECBINFHSA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@H]1CC[NH2+]C1 634995519 347434252 /nfs/dbraw/zinc/43/42/52/347434252.db2.gz HEMLMJBIMAMBFF-ZJUUUORDSA-N 2 0 185.315 0.169 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CC[NH2+]C1 634995517 347434291 /nfs/dbraw/zinc/43/42/91/347434291.db2.gz HEMLMJBIMAMBFF-UWVGGRQHSA-N 2 0 185.315 0.169 20 0 ACADRP CC[C@H]([NH3+])CNC[C@H](C[NH3+])C(C)C 634995681 347434324 /nfs/dbraw/zinc/43/43/24/347434324.db2.gz MBJJRPOHRCWEOL-UWVGGRQHSA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@H](C[NH3+])CN1C[C@@H]([NH3+])[C@H](C)C1 634995296 347434345 /nfs/dbraw/zinc/43/43/45/347434345.db2.gz ZYUIBQJNPGSCMQ-GMTAPVOTSA-N 2 0 199.342 0.496 20 0 ACADRP CC(C)[C@H](C[NH3+])CNC[C@@H]([NH3+])C1CC1 634995825 347434387 /nfs/dbraw/zinc/43/43/87/347434387.db2.gz PUGNEUCHZNRUKM-GHMZBOCLSA-N 2 0 199.342 0.544 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNC[C@H]([NH3+])C1CC1 634995827 347434398 /nfs/dbraw/zinc/43/43/98/347434398.db2.gz PUGNEUCHZNRUKM-QWRGUYRKSA-N 2 0 199.342 0.544 20 0 ACADRP CC(C)[C@H](C[NH3+])CNCC1([NH3+])CCC1 634995308 347434436 /nfs/dbraw/zinc/43/44/36/347434436.db2.gz AJLBUDIWEYXLEF-SNVBAGLBSA-N 2 0 199.342 0.688 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 634995739 347434451 /nfs/dbraw/zinc/43/44/51/347434451.db2.gz NKLRAFVWOQLSPD-ZNSHCXBVSA-N 2 0 197.326 0.025 20 0 ACADRP CC[C@H]([NH3+])CNC[C@@H](C[NH3+])C(C)C 634995683 347434463 /nfs/dbraw/zinc/43/44/63/347434463.db2.gz MBJJRPOHRCWEOL-ZJUUUORDSA-N 2 0 187.331 0.544 20 0 ACADRP CC[C@@H]([NH3+])CNC[C@H](C[NH3+])C(C)C 634995682 347434483 /nfs/dbraw/zinc/43/44/83/347434483.db2.gz MBJJRPOHRCWEOL-VHSXEESVSA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN(C)C1C[NH2+]C1 634995294 347434520 /nfs/dbraw/zinc/43/45/20/347434520.db2.gz ZXRBHRWDVKNQGE-VIFPVBQESA-N 2 0 185.315 0.121 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21 634995737 347434539 /nfs/dbraw/zinc/43/45/39/347434539.db2.gz NKLRAFVWOQLSPD-UKKRHICBSA-N 2 0 197.326 0.025 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNCC1([NH3+])CCC1 634995307 347434600 /nfs/dbraw/zinc/43/46/00/347434600.db2.gz AJLBUDIWEYXLEF-JTQLQIEISA-N 2 0 199.342 0.688 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CC[NH2+]C1 634995516 347434695 /nfs/dbraw/zinc/43/46/95/347434695.db2.gz HEMLMJBIMAMBFF-NXEZZACHSA-N 2 0 185.315 0.169 20 0 ACADRP CC[C@@H]([NH3+])CNC[C@@H](C[NH3+])C(C)C 634995680 347434683 /nfs/dbraw/zinc/43/46/83/347434683.db2.gz MBJJRPOHRCWEOL-NXEZZACHSA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CC[NH2+]C1 634995518 347434687 /nfs/dbraw/zinc/43/46/87/347434687.db2.gz HEMLMJBIMAMBFF-VHSXEESVSA-N 2 0 185.315 0.169 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNC[C@@H](C)C[NH3+] 634996050 347435067 /nfs/dbraw/zinc/43/50/67/347435067.db2.gz YAZKMSGRTLOBPU-UWVGGRQHSA-N 2 0 187.331 0.402 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@@H]1CCC[NH2+]C1 634995971 347435121 /nfs/dbraw/zinc/43/51/21/347435121.db2.gz VGMUPTARIBTJDW-GHMZBOCLSA-N 2 0 199.342 0.559 20 0 ACADRP CCN(CC[NH3+])C[C@H](C[NH3+])C(C)C 634997018 347435127 /nfs/dbraw/zinc/43/51/27/347435127.db2.gz BDDZKPCQFFWREB-JTQLQIEISA-N 2 0 187.331 0.498 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@H](C)CC[NH3+] 634995851 347435146 /nfs/dbraw/zinc/43/51/46/347435146.db2.gz QUJCXGCCVPABIL-ZJUUUORDSA-N 2 0 187.331 0.544 20 0 ACADRP C[NH2+]C[C@H](C)NC[C@@H](C[NH3+])C(C)C 634997724 347435179 /nfs/dbraw/zinc/43/51/79/347435179.db2.gz RAQIAFYWKQVGPV-VHSXEESVSA-N 2 0 187.331 0.415 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@@H](C)CC[NH3+] 634995849 347435187 /nfs/dbraw/zinc/43/51/87/347435187.db2.gz QUJCXGCCVPABIL-UWVGGRQHSA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@H](C[NH3+])CNC[C@@H](C)C[NH3+] 634996051 347435193 /nfs/dbraw/zinc/43/51/93/347435193.db2.gz YAZKMSGRTLOBPU-VHSXEESVSA-N 2 0 187.331 0.402 20 0 ACADRP CC(C)[C@H](C[NH3+])CNC[C@H](C)C[NH3+] 634996049 347435231 /nfs/dbraw/zinc/43/52/31/347435231.db2.gz YAZKMSGRTLOBPU-NXEZZACHSA-N 2 0 187.331 0.402 20 0 ACADRP CCN(CC[NH3+])C[C@@H](C[NH3+])C(C)C 634997019 347435225 /nfs/dbraw/zinc/43/52/25/347435225.db2.gz BDDZKPCQFFWREB-SNVBAGLBSA-N 2 0 187.331 0.498 20 0 ACADRP C[NH2+]C[C@@H](C)NC[C@H](C[NH3+])C(C)C 634997725 347435270 /nfs/dbraw/zinc/43/52/70/347435270.db2.gz RAQIAFYWKQVGPV-ZJUUUORDSA-N 2 0 187.331 0.415 20 0 ACADRP CC(C)[C@H](C[NH3+])CN(C)CC[NH3+] 634996340 347435283 /nfs/dbraw/zinc/43/52/83/347435283.db2.gz HKNCVDVWUTVPKC-SECBINFHSA-N 2 0 173.304 0.108 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN(C)CC[NH3+] 634996341 347435285 /nfs/dbraw/zinc/43/52/85/347435285.db2.gz HKNCVDVWUTVPKC-VIFPVBQESA-N 2 0 173.304 0.108 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@H](C)C[NH3+] 634995931 347435301 /nfs/dbraw/zinc/43/53/01/347435301.db2.gz ULKMIFLXYFSGFW-RKDXNWHRSA-N 2 0 173.304 0.154 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@H](C)CC[NH3+] 634995848 347435353 /nfs/dbraw/zinc/43/53/53/347435353.db2.gz QUJCXGCCVPABIL-NXEZZACHSA-N 2 0 187.331 0.544 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@H](C)C[NH3+] 634995930 347435363 /nfs/dbraw/zinc/43/53/63/347435363.db2.gz ULKMIFLXYFSGFW-BDAKNGLRSA-N 2 0 173.304 0.154 20 0 ACADRP C[NH2+]C[C@H](C)NC[C@H](C[NH3+])C(C)C 634997723 347435368 /nfs/dbraw/zinc/43/53/68/347435368.db2.gz RAQIAFYWKQVGPV-UWVGGRQHSA-N 2 0 187.331 0.415 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@H]1CCC[NH2+]C1 634995973 347435372 /nfs/dbraw/zinc/43/53/72/347435372.db2.gz VGMUPTARIBTJDW-QWRGUYRKSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@@H](C)CC[NH3+] 634995850 347435414 /nfs/dbraw/zinc/43/54/14/347435414.db2.gz QUJCXGCCVPABIL-VHSXEESVSA-N 2 0 187.331 0.544 20 0 ACADRP C[NH2+]C[C@@H](C)NC[C@@H](C[NH3+])C(C)C 634997722 347435454 /nfs/dbraw/zinc/43/54/54/347435454.db2.gz RAQIAFYWKQVGPV-NXEZZACHSA-N 2 0 187.331 0.415 20 0 ACADRP CC(C)[C@@H](C[NH3+])CNC[C@H](C)C[NH3+] 634996052 347435645 /nfs/dbraw/zinc/43/56/45/347435645.db2.gz YAZKMSGRTLOBPU-ZJUUUORDSA-N 2 0 187.331 0.402 20 0 ACADRP CC(C)[C@@H](C[NH3+])CN[C@@H]1CCC[NH2+]C1 634995974 347435684 /nfs/dbraw/zinc/43/56/84/347435684.db2.gz VGMUPTARIBTJDW-WDEREUQCSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@H](C[NH3+])CN[C@H]1CCC[NH2+]C1 634995972 347435738 /nfs/dbraw/zinc/43/57/38/347435738.db2.gz VGMUPTARIBTJDW-MNOVXSKESA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)([NH3+])CN1C[C@@H]2CC[C@H](C1)[NH2+]2 635002042 347436578 /nfs/dbraw/zinc/43/65/78/347436578.db2.gz HUKSWZYFTNYNCO-DTORHVGOSA-N 2 0 183.299 0.160 20 0 ACADRP CC(C)OCC[NH2+][C@H](C)C1C[NH2+]C1 635013776 347436932 /nfs/dbraw/zinc/43/69/32/347436932.db2.gz VQGFKPLVJRBRFF-SECBINFHSA-N 2 0 186.299 0.609 20 0 ACADRP CC(C)OCC[NH2+][C@@H](C)C1C[NH2+]C1 635013777 347437326 /nfs/dbraw/zinc/43/73/26/347437326.db2.gz VQGFKPLVJRBRFF-VIFPVBQESA-N 2 0 186.299 0.609 20 0 ACADRP C[C@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 638411916 347480942 /nfs/dbraw/zinc/48/09/42/347480942.db2.gz STDIYBOOOBURFW-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP CCN(CC[NH3+])C(=O)C1([NH3+])CCCC1 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347499272 /nfs/dbraw/zinc/49/92/72/347499272.db2.gz WHFLYAXTPBHZOT-IWSPIJDZSA-N 2 0 199.298 0.110 20 0 ACADRP CC(C)([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 639023642 347499311 /nfs/dbraw/zinc/49/93/11/347499311.db2.gz XVHHRSUOPSNXJV-ZKCHVHJHSA-N 2 0 199.298 0.110 20 0 ACADRP CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 639021242 347499326 /nfs/dbraw/zinc/49/93/26/347499326.db2.gz FPFYOLRCFYXNSE-CIUDSAMLSA-N 2 0 199.298 0.110 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH3+])CC1 639030192 347499507 /nfs/dbraw/zinc/49/95/07/347499507.db2.gz FPFYOLRCFYXNSE-IWSPIJDZSA-N 2 0 199.298 0.110 20 0 ACADRP CC(=O)C[N@H+](C)CCCn1ccnc1 639551781 347523161 /nfs/dbraw/zinc/52/31/61/347523161.db2.gz OINWRCAJZUSAGW-UHFFFAOYSA-N 2 0 195.266 0.794 20 0 ACADRP COC[C@H](C)[NH2+]Cc1cnc(C)n1C 641789944 347584255 /nfs/dbraw/zinc/58/42/55/347584255.db2.gz AJVDNEGEPDFDRR-QMMMGPOBSA-N 2 0 197.282 0.853 20 0 ACADRP C[C@H]([NH3+])CN[C@@H]1C[C@H]([NH3+])C1(C)C 641801705 347584883 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/nfs/dbraw/zinc/58/52/49/347585249.db2.gz MEFZBPDBDBULCR-DTWKUNHWSA-N 2 0 185.315 0.311 20 0 ACADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CC[NH2+]C1 641802487 347585524 /nfs/dbraw/zinc/58/55/24/347585524.db2.gz LSRLYORDKKMZHU-OPRDCNLKSA-N 2 0 197.326 0.311 20 0 ACADRP C[NH2+]CCCN[C@H]1C[C@@H]([NH3+])C1(C)C 641802512 347585567 /nfs/dbraw/zinc/58/55/67/347585567.db2.gz MEFZBPDBDBULCR-BDAKNGLRSA-N 2 0 185.315 0.311 20 0 ACADRP CC1(C)[C@@H](NC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] 641802485 347585618 /nfs/dbraw/zinc/58/56/18/347585618.db2.gz LSRLYORDKKMZHU-BBBLOLIVSA-N 2 0 197.326 0.311 20 0 ACADRP C[NH2+]CCCN[C@@H]1C[C@@H]([NH3+])C1(C)C 641802515 347585650 /nfs/dbraw/zinc/58/56/50/347585650.db2.gz MEFZBPDBDBULCR-RKDXNWHRSA-N 2 0 185.315 0.311 20 0 ACADRP CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CC[NH2+]C1 641802486 347585719 /nfs/dbraw/zinc/58/57/19/347585719.db2.gz LSRLYORDKKMZHU-IVZWLZJFSA-N 2 0 197.326 0.311 20 0 ACADRP C[NH2+]CCCN[C@H]1C[C@H]([NH3+])C1(C)C 641802514 347585800 /nfs/dbraw/zinc/58/58/00/347585800.db2.gz MEFZBPDBDBULCR-IUCAKERBSA-N 2 0 185.315 0.311 20 0 ACADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 19471967 351391510 /nfs/dbraw/zinc/39/15/10/351391510.db2.gz JQTZMNYEVFZYSZ-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@@H]1C[NH2+]C[C@@H](C)C1[NH3+] 34370907 351438727 /nfs/dbraw/zinc/43/87/27/351438727.db2.gz XJSUUJDMFDMIGK-PHDIDXHHSA-N 2 0 128.219 0.189 20 0 ACADRP CC[C@@H](C)N1CCO[C@H](C[NH3+])C1 34679633 351444428 /nfs/dbraw/zinc/44/44/28/351444428.db2.gz HTNAVRGLXJMJFN-RKDXNWHRSA-N 2 0 172.272 0.444 20 0 ACADRP C[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 35776936 351454090 /nfs/dbraw/zinc/45/40/90/351454090.db2.gz QAHOESLYJIUUGL-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP CC(C)(O)C[N@@H+]1CCC[NH2+]CC1 37692138 351471178 /nfs/dbraw/zinc/47/11/78/351471178.db2.gz HPCILEAHOLQLPA-UHFFFAOYSA-N 2 0 172.272 0.053 20 0 in-vitro ACADRP O[C@@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]CC1 37689483 351471344 /nfs/dbraw/zinc/47/13/44/351471344.db2.gz LLFAWNFRHCPMIU-NXEZZACHSA-N 2 0 184.283 0.195 20 0 ACADRP COCCC[NH+]1CCC(C[NH3+])CC1 37753909 351474077 /nfs/dbraw/zinc/47/40/77/351474077.db2.gz QQXVTBFJTRLXPH-UHFFFAOYSA-N 2 0 186.299 0.694 20 0 ACADRP C[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 37911242 351475220 /nfs/dbraw/zinc/47/52/20/351475220.db2.gz QBTHTPXBGUDRRR-LLVKDONJSA-N 2 0 197.326 0.376 20 0 ACADRP C[C@@H]1CC[N@H+](CCC[NH3+])C1 40717018 351510909 /nfs/dbraw/zinc/51/09/09/351510909.db2.gz IPHJNMHOLSTWLX-MRVPVSSYSA-N 2 0 142.246 0.677 20 0 ACADRP C[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 42278932 351521408 /nfs/dbraw/zinc/52/14/08/351521408.db2.gz ZDVBGVVCMDGVQJ-LLVKDONJSA-N 2 0 197.326 0.233 20 0 ACADRP CC(C)CC[N@H+](C)C[C@@H](O)C[NH3+] 42456787 351522056 /nfs/dbraw/zinc/52/20/56/351522056.db2.gz KDHNWFCRNBVXEB-VIFPVBQESA-N 2 0 174.288 0.284 20 0 ACADRP CC(C)CC[N@H+](C)C[C@H](O)C[NH3+] 42456785 351522762 /nfs/dbraw/zinc/52/27/62/351522762.db2.gz KDHNWFCRNBVXEB-SECBINFHSA-N 2 0 174.288 0.284 20 0 ACADRP [NH3+]CCSCC1CC[NH2+]CC1 43498273 351529503 /nfs/dbraw/zinc/52/95/03/351529503.db2.gz ZVSHPZPHDILCHR-UHFFFAOYSA-N 2 0 174.313 0.678 20 0 ACADRP CC(C)(O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 44531495 351539782 /nfs/dbraw/zinc/53/97/82/351539782.db2.gz NNTWWRVWFKZSHH-VIFPVBQESA-N 2 0 186.299 0.428 20 0 ACADRP CC(C)(O)C[NH+]1CCC(C[NH3+])CC1 44514520 351539875 /nfs/dbraw/zinc/53/98/75/351539875.db2.gz SGEGEKSQBBRNFC-UHFFFAOYSA-N 2 0 186.299 0.428 20 0 ACADRP CC(C)(O)C[N@@H+]1CCC[C@H](C[NH3+])C1 44531493 351540034 /nfs/dbraw/zinc/54/00/34/351540034.db2.gz NNTWWRVWFKZSHH-SECBINFHSA-N 2 0 186.299 0.428 20 0 ACADRP c1cc(N[C@@H]2CC[NH2+]C2)cc[nH+]1 52093736 351562128 /nfs/dbraw/zinc/56/21/28/351562128.db2.gz RAZXEYCDJIGHHQ-SECBINFHSA-N 2 0 163.224 0.855 20 0 ACADRP c1cc(N[C@H]2CC[NH2+]C2)cc[nH+]1 52093737 351562273 /nfs/dbraw/zinc/56/22/73/351562273.db2.gz RAZXEYCDJIGHHQ-VIFPVBQESA-N 2 0 163.224 0.855 20 0 ACADRP CC(C)([NH3+])C[NH2+]C1CCC1 52212491 351564514 /nfs/dbraw/zinc/56/45/14/351564514.db2.gz LVBQGXSISDUJGO-UHFFFAOYSA-N 2 0 142.246 0.866 20 0 ACADRP C[C@@H]1C[NH2+]CC[C@@H]1N1CC[NH+](C)CC1 70045476 351601869 /nfs/dbraw/zinc/60/18/69/351601869.db2.gz KVKJXZHVOYPJIT-MNOVXSKESA-N 2 0 197.326 0.232 20 0 ACADRP C[C@@H]1C[NH2+]CC[C@H]1[NH+](C)C 70024237 351601874 /nfs/dbraw/zinc/60/18/74/351601874.db2.gz FZVOPHDUSUCYND-HTQZYQBOSA-N 2 0 142.246 0.546 20 0 in-vitro ACADRP C[C@@H]1C[NH2+]CC[C@H]1N1CC[NH+](C)CC1 70045479 351601951 /nfs/dbraw/zinc/60/19/51/351601951.db2.gz KVKJXZHVOYPJIT-GHMZBOCLSA-N 2 0 197.326 0.232 20 0 ACADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH+](C)C 70024234 351601997 /nfs/dbraw/zinc/60/19/97/351601997.db2.gz FZVOPHDUSUCYND-SFYZADRCSA-N 2 0 142.246 0.546 20 0 in-vitro ACADRP CC(C)([NH3+])CCN1CC[NH2+]CC1 81215621 351631974 /nfs/dbraw/zinc/63/19/74/351631974.db2.gz ARPUAKAWAJCIAP-UHFFFAOYSA-N 2 0 171.288 0.019 20 0 ACADRP [NH3+]C1CN(c2cc[nH+]cc2)C1 82593224 351640072 /nfs/dbraw/zinc/64/00/72/351640072.db2.gz GQRAQGJDVBARGL-UHFFFAOYSA-N 2 0 149.197 0.229 20 0 ACADRP O[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 82703717 351641706 /nfs/dbraw/zinc/64/17/06/351641706.db2.gz BKFCTWDQAXSQOD-NSHDSACASA-N 2 0 198.310 0.443 20 0 ACADRP O[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 83574150 351646489 /nfs/dbraw/zinc/64/64/89/351646489.db2.gz BKFCTWDQAXSQOD-LLVKDONJSA-N 2 0 198.310 0.443 20 0 ACADRP [NH3+]CC1CN(c2cc[nH+]cc2)C1 84987462 351651427 /nfs/dbraw/zinc/65/14/27/351651427.db2.gz FTMXZTBVCQYPRN-UHFFFAOYSA-N 2 0 163.224 0.477 20 0 ACADRP c1cc(NC2C[NH2+]C2)cc[nH+]1 85256804 351652962 /nfs/dbraw/zinc/65/29/62/351652962.db2.gz NQTWTFRKFPLPIX-UHFFFAOYSA-N 2 0 149.197 0.465 20 0 ACADRP C[C@@H]1C[N@H+](CC(C)(C)O)CC[C@@H]1[NH3+] 86886188 351657620 /nfs/dbraw/zinc/65/76/20/351657620.db2.gz LQIDAPZLRVFNBR-BDAKNGLRSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@H]1C[N@H+](CC(C)(C)O)CC[C@@H]1[NH3+] 86886192 351657770 /nfs/dbraw/zinc/65/77/70/351657770.db2.gz LQIDAPZLRVFNBR-IUCAKERBSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@@H]([C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 95829148 351673935 /nfs/dbraw/zinc/67/39/35/351673935.db2.gz WAJCBUWSSLPDAP-WDEREUQCSA-N 2 0 197.326 0.422 20 0 ACADRP C[C@@H]1OCC[C@H]1[NH2+]CCC[NH+](C)C 96033472 351678137 /nfs/dbraw/zinc/67/81/37/351678137.db2.gz FBZQYCNCJHAIKU-VHSXEESVSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@@H]1OCC[C@@H]1[NH2+]CCC[NH+](C)C 96033474 351678578 /nfs/dbraw/zinc/67/85/78/351678578.db2.gz FBZQYCNCJHAIKU-UWVGGRQHSA-N 2 0 186.299 0.705 20 0 ACADRP C[C@@H]1C[NH2+]CC2(CC2)C[NH2+]1 97758521 351684168 /nfs/dbraw/zinc/68/41/68/351684168.db2.gz USOOMPJLYFCIKO-SSDOTTSWSA-N 2 0 140.230 0.348 20 0 ACADRP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCN1 108344036 351720849 /nfs/dbraw/zinc/72/08/49/351720849.db2.gz JBFNMXGQUACMOT-SNVBAGLBSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[NH2+]1 108344025 351720925 /nfs/dbraw/zinc/72/09/25/351720925.db2.gz NPZNSPAFBGEFIV-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1 108344104 351720947 /nfs/dbraw/zinc/72/09/47/351720947.db2.gz PEXCGHVWEFTQSR-MNOVXSKESA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]1CNCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 108344015 351721045 /nfs/dbraw/zinc/72/10/45/351721045.db2.gz GBGNLAUFMCFHNS-MNOVXSKESA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]1CN(CC(C)(C)[NH3+])CC[NH2+]1 108333968 351721135 /nfs/dbraw/zinc/72/11/35/351721135.db2.gz QHHRZOAOHZFVNU-MRVPVSSYSA-N 2 0 171.288 0.017 20 0 ACADRP C[C@@H]1CNCC[N@@H+]1CC1CC[NH2+]CC1 108343953 351721197 /nfs/dbraw/zinc/72/11/97/351721197.db2.gz PQVZRWPEHFQVRL-SNVBAGLBSA-N 2 0 197.326 0.280 20 0 ACADRP [NH3+][C@]12CCCC[C@@H]1C[NH2+]C2 108491619 351721754 /nfs/dbraw/zinc/72/17/54/351721754.db2.gz CAIDONUSMPDGKG-SFYZADRCSA-N 2 0 140.230 0.477 20 0 ACADRP [NH3+][C@H]1CCC[C@@]12CCC[C@H]2[NH3+] 108491489 351721930 /nfs/dbraw/zinc/72/19/30/351721930.db2.gz BNILUWOCEPQBHS-HRDYMLBCSA-N 2 0 154.257 0.995 20 0 ACADRP C[C@@H]1C[N@H+](CCC[NH3+])CCS1 123260815 351728914 /nfs/dbraw/zinc/72/89/14/351728914.db2.gz UVOPBUVTZSYQSS-MRVPVSSYSA-N 2 0 174.313 0.773 20 0 ACADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(C)(C)O 126949832 351731576 /nfs/dbraw/zinc/73/15/76/351731576.db2.gz SLJDPTKKBAOKEG-BDAKNGLRSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(C)(C)O 126949445 351731633 /nfs/dbraw/zinc/73/16/33/351731633.db2.gz SLJDPTKKBAOKEG-RKDXNWHRSA-N 2 0 186.299 0.426 20 0 ACADRP CC(C)(O)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 130636033 351736035 /nfs/dbraw/zinc/73/60/35/351736035.db2.gz VNLGMHUTKVNIIC-ZJUUUORDSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@H]1CN(CCC[NH3+])C[C@@H](C)[NH2+]1 143999349 351747572 /nfs/dbraw/zinc/74/75/72/351747572.db2.gz DCMSEBJANHAWIS-DTORHVGOSA-N 2 0 171.288 0.017 20 0 ACADRP COCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 164642554 351765464 /nfs/dbraw/zinc/76/54/64/351765464.db2.gz AEABOVUBAVCYRO-UWVGGRQHSA-N 2 0 186.299 0.550 20 0 ACADRP COCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 164642426 351765934 /nfs/dbraw/zinc/76/59/34/351765934.db2.gz AEABOVUBAVCYRO-ZJUUUORDSA-N 2 0 186.299 0.550 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222920912 351794759 /nfs/dbraw/zinc/79/47/59/351794759.db2.gz VRMLXPLCIHQPOR-DJLDLDEBSA-N 2 0 172.272 0.227 20 0 ACADRP C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 222920850 351794778 /nfs/dbraw/zinc/79/47/78/351794778.db2.gz VRMLXPLCIHQPOR-IWSPIJDZSA-N 2 0 172.272 0.227 20 0 ACADRP C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 222920969 351794789 /nfs/dbraw/zinc/79/47/89/351794789.db2.gz VRMLXPLCIHQPOR-HLTSFMKQSA-N 2 0 172.272 0.227 20 0 ACADRP C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 222921024 351794798 /nfs/dbraw/zinc/79/47/98/351794798.db2.gz VRMLXPLCIHQPOR-YIZRAAEISA-N 2 0 172.272 0.227 20 0 ACADRP C1CC([NH2+][C@@H]2CCSC2)CC[NH2+]1 231347289 351811767 /nfs/dbraw/zinc/81/17/67/351811767.db2.gz IHOPPSRABCKTQJ-SECBINFHSA-N 2 0 186.324 0.834 20 0 ACADRP c1cn2c([nH+]1)NC[C@H]1C[NH2+]CC[C@@H]12 232455090 351814840 /nfs/dbraw/zinc/81/48/40/351814840.db2.gz ACIYWVMMLJAWIA-SFYZADRCSA-N 2 0 178.239 0.459 20 0 ACADRP C[NH2+]C[C@H](C)[C@H]1CCCC[NH2+]1 238312285 351820064 /nfs/dbraw/zinc/82/00/64/351820064.db2.gz HLNLZFOGAQHTOJ-DTWKUNHWSA-N 2 0 156.273 0.984 20 0 ACADRP C[NH2+]C[C@H](C)[C@@H]1CCCC[NH2+]1 238312248 351820357 /nfs/dbraw/zinc/82/03/57/351820357.db2.gz HLNLZFOGAQHTOJ-IUCAKERBSA-N 2 0 156.273 0.984 20 0 ACADRP C[NH2+]C[C@@H](C)[C@@H]1CCCC[NH2+]1 238355139 351820880 /nfs/dbraw/zinc/82/08/80/351820880.db2.gz HLNLZFOGAQHTOJ-BDAKNGLRSA-N 2 0 156.273 0.984 20 0 ACADRP C[N@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 238354872 351820911 /nfs/dbraw/zinc/82/09/11/351820911.db2.gz HUJAYOROWVAELT-DTORHVGOSA-N 2 0 154.257 0.548 20 0 ACADRP C[NH2+]C[C@@H](C)[C@H]1CCCC[NH2+]1 238355220 351820992 /nfs/dbraw/zinc/82/09/92/351820992.db2.gz HLNLZFOGAQHTOJ-RKDXNWHRSA-N 2 0 156.273 0.984 20 0 ACADRP CC[N@@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2)C1 250224728 351831369 /nfs/dbraw/zinc/83/13/69/351831369.db2.gz FHFLGFMNRGDBSO-WDEREUQCSA-N 2 0 197.326 0.422 20 0 ACADRP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2)C1 250224726 351831436 /nfs/dbraw/zinc/83/14/36/351831436.db2.gz FHFLGFMNRGDBSO-QWRGUYRKSA-N 2 0 197.326 0.422 20 0 ACADRP CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 250345360 351831885 /nfs/dbraw/zinc/83/18/85/351831885.db2.gz QJPWMYOOXIVHFE-YUMQZZPRSA-N 2 0 142.246 0.675 20 0 ACADRP C1CCC([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 251410886 351834649 /nfs/dbraw/zinc/83/46/49/351834649.db2.gz QYINBWLSEQIIII-MYJAWHEDSA-N 2 0 166.268 0.736 20 0 ACADRP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 250420020 351832257 /nfs/dbraw/zinc/83/22/57/351832257.db2.gz PDSPKHUGJPDDCW-QWRGUYRKSA-N 2 0 198.310 0.707 20 0 ACADRP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 250420015 351832286 /nfs/dbraw/zinc/83/22/86/351832286.db2.gz PDSPKHUGJPDDCW-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 251323635 351834411 /nfs/dbraw/zinc/83/44/11/351834411.db2.gz OKJLWCXRTNHKAL-WDEREUQCSA-N 2 0 198.310 0.443 20 0 ACADRP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 251473697 351834858 /nfs/dbraw/zinc/83/48/58/351834858.db2.gz WBYDWPLBRRNQHB-WDEREUQCSA-N 2 0 198.310 0.694 20 0 ACADRP C[C@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 251527299 351834891 /nfs/dbraw/zinc/83/48/91/351834891.db2.gz AEPWRUJBMZBOOL-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)CCO1 251527289 351834931 /nfs/dbraw/zinc/83/49/31/351834931.db2.gz AEPWRUJBMZBOOL-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 251644148 351835506 /nfs/dbraw/zinc/83/55/06/351835506.db2.gz GBGNLAUFMCFHNS-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 251661714 351835572 /nfs/dbraw/zinc/83/55/72/351835572.db2.gz GXHAWGDLQRGMNB-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H]1CNCC[N@@H+]1CC[C@H]1CC[NH2+]C1 251644150 351835626 /nfs/dbraw/zinc/83/56/26/351835626.db2.gz GBGNLAUFMCFHNS-WDEREUQCSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@H]1C[N@H+](CC(C)(C)O)CC[C@H]1[NH3+] 251757558 351836208 /nfs/dbraw/zinc/83/62/08/351836208.db2.gz LQIDAPZLRVFNBR-DTWKUNHWSA-N 2 0 186.299 0.426 20 0 ACADRP C[C@@H]1C[N@H+](CC(C)(C)O)CC[C@H]1[NH3+] 251757560 351836218 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C[C@H]([NH3+])C[N@@H+]1CC[C@H]2C[C@H]2C1 575500012 352404789 /nfs/dbraw/zinc/40/47/89/352404789.db2.gz PORJRNHHFCKLJK-CIUDSAMLSA-N 2 0 154.257 0.675 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575545124 352620912 /nfs/dbraw/zinc/62/09/12/352620912.db2.gz ZRAHIUVURDNMKC-ZNSHCXBVSA-N 2 0 180.295 0.936 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575545121 352620950 /nfs/dbraw/zinc/62/09/50/352620950.db2.gz ZRAHIUVURDNMKC-VPOLOUISSA-N 2 0 180.295 0.936 20 0 ACADRP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](CC1CC1)C2 575549100 352633695 /nfs/dbraw/zinc/63/36/95/352633695.db2.gz HJUKLYRNCMCBLO-MNOVXSKESA-N 2 0 180.295 0.938 20 0 ACADRP C[C@@]12C[NH2+]C[C@@H]1CN(CCF)C2 575550426 352638137 /nfs/dbraw/zinc/63/81/37/352638137.db2.gz RYBOAXWBQOBKFK-BDAKNGLRSA-N 2 0 172.247 0.497 20 0 ACADRP C[C@H](O)C[NH+]1CCC(C)([NH3+])CC1 575569599 352721094 /nfs/dbraw/zinc/72/10/94/352721094.db2.gz PWSRGBZZKKKIQL-QMMMGPOBSA-N 2 0 172.272 0.180 20 0 ACADRP 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643061773 352935889 /nfs/dbraw/zinc/93/58/89/352935889.db2.gz UTJQZVWSRHGAKV-WDEREUQCSA-N 2 0 197.326 0.552 20 0 ACADRP [NH3+]CCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 643061766 352935938 /nfs/dbraw/zinc/93/59/38/352935938.db2.gz UTJQZVWSRHGAKV-GHMZBOCLSA-N 2 0 197.326 0.552 20 0 ACADRP [NH3+]CCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 643061772 352936002 /nfs/dbraw/zinc/93/60/02/352936002.db2.gz UTJQZVWSRHGAKV-QWRGUYRKSA-N 2 0 197.326 0.552 20 0 ACADRP CN(CC[NH3+])CCC[NH+]1CCCCC1 643081352 352937962 /nfs/dbraw/zinc/93/79/62/352937962.db2.gz NUQOPUVGZVNYKU-UHFFFAOYSA-N 2 0 199.342 0.753 20 0 ACADRP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])CN1CCC[NH3+] 643427649 352950834 /nfs/dbraw/zinc/95/08/34/352950834.db2.gz JPEUDWUSJVGTBO-VWYCJHECSA-N 2 0 199.342 0.640 20 0 ACADRP C[C@@H]1C[C@@H](C)N(CCC[NH3+])C[C@@H]1C[NH3+] 643427647 352950905 /nfs/dbraw/zinc/95/09/05/352950905.db2.gz JPEUDWUSJVGTBO-MXWKQRLJSA-N 2 0 199.342 0.640 20 0 ACADRP C[C@H]1C[C@@H](C)[C@H](C[NH3+])CN1CCC[NH3+] 643427648 352951138 /nfs/dbraw/zinc/95/11/38/352951138.db2.gz JPEUDWUSJVGTBO-OUAUKWLOSA-N 2 0 199.342 0.640 20 0 ACADRP C[C@@H]1C[C@@H](C)N(CCC[NH3+])C[C@H]1C[NH3+] 643427646 352951411 /nfs/dbraw/zinc/95/14/11/352951411.db2.gz JPEUDWUSJVGTBO-GMTAPVOTSA-N 2 0 199.342 0.640 20 0 ACADRP C[C@H]1C[C@@H](C)[C@H](C[NH3+])CN1CC[NH3+] 643441010 352951758 /nfs/dbraw/zinc/95/17/58/352951758.db2.gz DTEFSKVQCARWNW-KXUCPTDWSA-N 2 0 185.315 0.250 20 0 ACADRP C[C@@H]1C[C@@H](C)N(CC[NH3+])C[C@@H]1C[NH3+] 643441009 352951765 /nfs/dbraw/zinc/95/17/65/352951765.db2.gz DTEFSKVQCARWNW-BBBLOLIVSA-N 2 0 185.315 0.250 20 0 ACADRP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])CN1CC[NH3+] 643441012 352951768 /nfs/dbraw/zinc/95/17/68/352951768.db2.gz DTEFSKVQCARWNW-UTLUCORTSA-N 2 0 185.315 0.250 20 0 ACADRP C[C@@H]1C[C@@H](C)N(CC[NH3+])C[C@H]1C[NH3+] 643441011 352951783 /nfs/dbraw/zinc/95/17/83/352951783.db2.gz DTEFSKVQCARWNW-OPRDCNLKSA-N 2 0 185.315 0.250 20 0 ACADRP CCC[C@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 643452387 352951785 /nfs/dbraw/zinc/95/17/85/352951785.db2.gz OUJKTTCOFVOFGR-BBBLOLIVSA-N 2 0 188.315 0.863 20 0 ACADRP COC[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 643451597 352951831 /nfs/dbraw/zinc/95/18/31/352951831.db2.gz UQCBHXPWRWYVHV-OPRDCNLKSA-N 2 0 188.315 0.984 20 0 ACADRP CCC[C@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643452389 352951850 /nfs/dbraw/zinc/95/18/50/352951850.db2.gz OUJKTTCOFVOFGR-UTLUCORTSA-N 2 0 188.315 0.863 20 0 ACADRP CCC[C@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643452386 352951865 /nfs/dbraw/zinc/95/18/65/352951865.db2.gz OUJKTTCOFVOFGR-AEJSXWLSSA-N 2 0 188.315 0.863 20 0 ACADRP CCC[C@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 643452388 352951925 /nfs/dbraw/zinc/95/19/25/352951925.db2.gz OUJKTTCOFVOFGR-GUBZILKMSA-N 2 0 188.315 0.863 20 0 ACADRP COC[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 643451596 352951943 /nfs/dbraw/zinc/95/19/43/352951943.db2.gz UQCBHXPWRWYVHV-KXUCPTDWSA-N 2 0 188.315 0.984 20 0 ACADRP COC[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 643451595 352951947 /nfs/dbraw/zinc/95/19/47/352951947.db2.gz UQCBHXPWRWYVHV-BBBLOLIVSA-N 2 0 188.315 0.984 20 0 ACADRP COC[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 643451598 352952064 /nfs/dbraw/zinc/95/20/64/352952064.db2.gz UQCBHXPWRWYVHV-UTLUCORTSA-N 2 0 188.315 0.984 20 0 ACADRP C[C@@H](NC[C@@H](C)[NH+](C)C)[C@H]1CCC[NH2+]1 643454687 352953483 /nfs/dbraw/zinc/95/34/83/352953483.db2.gz QXIMTVXZQAWNAS-GMTAPVOTSA-N 2 0 199.342 0.667 20 0 ACADRP C[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[NH+](C)C 643454686 352953642 /nfs/dbraw/zinc/95/36/42/352953642.db2.gz QXIMTVXZQAWNAS-AXFHLTTASA-N 2 0 199.342 0.667 20 0 ACADRP C[C@@H](NC[C@@H](C)[NH+](C)C)[C@@H]1CCC[NH2+]1 643454689 352953746 /nfs/dbraw/zinc/95/37/46/352953746.db2.gz QXIMTVXZQAWNAS-MXWKQRLJSA-N 2 0 199.342 0.667 20 0 ACADRP C[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[NH+](C)C 643454688 352953773 /nfs/dbraw/zinc/95/37/73/352953773.db2.gz QXIMTVXZQAWNAS-HBNTYKKESA-N 2 0 199.342 0.667 20 0 ACADRP COCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] 643455658 352954143 /nfs/dbraw/zinc/95/41/43/352954143.db2.gz VVFQJGCUXSESAS-UWVGGRQHSA-N 2 0 186.299 0.882 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC[NH+](C)C 643455634 352954206 /nfs/dbraw/zinc/95/42/06/352954206.db2.gz PIWBYASQSZREKG-GHMZBOCLSA-N 2 0 199.342 0.526 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H]1NCC[NH+]1CCCC1 643456754 352954241 /nfs/dbraw/zinc/95/42/41/352954241.db2.gz WHJMGBZSSDIRDL-MNOVXSKESA-N 2 0 197.326 0.552 20 0 ACADRP C[C@H]1CC[NH2+]C[C@@H]1NCCC[NH+](C)C 643455636 352954320 /nfs/dbraw/zinc/95/43/20/352954320.db2.gz PIWBYASQSZREKG-QWRGUYRKSA-N 2 0 199.342 0.526 20 0 ACADRP COCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] 643455657 352954385 /nfs/dbraw/zinc/95/43/85/352954385.db2.gz VVFQJGCUXSESAS-NXEZZACHSA-N 2 0 186.299 0.882 20 0 ACADRP C[C@H]1CC[NH2+]C[C@H]1NCCC[NH+](C)C 643455637 352954396 /nfs/dbraw/zinc/95/43/96/352954396.db2.gz PIWBYASQSZREKG-WDEREUQCSA-N 2 0 199.342 0.526 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@@H]1NCCC[NH+](C)C 643455635 352954429 /nfs/dbraw/zinc/95/44/29/352954429.db2.gz PIWBYASQSZREKG-MNOVXSKESA-N 2 0 199.342 0.526 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NCC[NH+]1CCCC1 643456709 352954444 /nfs/dbraw/zinc/95/44/44/352954444.db2.gz LLVAYJSLSDPJNV-QWRGUYRKSA-N 2 0 199.342 0.798 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NCC[NH+]1CCCC1 643456707 352954666 /nfs/dbraw/zinc/95/46/66/352954666.db2.gz LLVAYJSLSDPJNV-GHMZBOCLSA-N 2 0 199.342 0.798 20 0 ACADRP [NH3+][C@H]1CCC[C@@H]1NCC[NH+]1CCCC1 643456755 352954716 /nfs/dbraw/zinc/95/47/16/352954716.db2.gz WHJMGBZSSDIRDL-QWRGUYRKSA-N 2 0 197.326 0.552 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCC[NH+]1CCCC1 643456708 352954766 /nfs/dbraw/zinc/95/47/66/352954766.db2.gz LLVAYJSLSDPJNV-MNOVXSKESA-N 2 0 199.342 0.798 20 0 ACADRP COCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] 643455659 352954781 /nfs/dbraw/zinc/95/47/81/352954781.db2.gz VVFQJGCUXSESAS-VHSXEESVSA-N 2 0 186.299 0.882 20 0 ACADRP COCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] 643455660 352954824 /nfs/dbraw/zinc/95/48/24/352954824.db2.gz VVFQJGCUXSESAS-ZJUUUORDSA-N 2 0 186.299 0.882 20 0 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C[C@H]([NH2+]C[C@@H](C)CO)[C@@H]1CCC[NH2+]1 643472119 352959653 /nfs/dbraw/zinc/95/96/53/352959653.db2.gz SDVZVDBKPNSRNU-UTLUCORTSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643472118 352959718 /nfs/dbraw/zinc/95/97/18/352959718.db2.gz SDVZVDBKPNSRNU-OPRDCNLKSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@H]([NH2+]C[C@@H](C)CO)[C@H]1CCC[NH2+]1 643472117 352959748 /nfs/dbraw/zinc/95/97/48/352959748.db2.gz SDVZVDBKPNSRNU-KXUCPTDWSA-N 2 0 186.299 0.345 20 0 ACADRP C[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643472116 352959965 /nfs/dbraw/zinc/95/99/65/352959965.db2.gz SDVZVDBKPNSRNU-BBBLOLIVSA-N 2 0 186.299 0.345 20 0 ACADRP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[NH2+]C1 643486687 352963550 /nfs/dbraw/zinc/96/35/50/352963550.db2.gz VWGHXJJMPHZBHF-GHMZBOCLSA-N 2 0 199.342 0.668 20 0 ACADRP CC[NH+](CC)[C@H](C)CN[C@H]1CC[NH2+]C1 643486688 352963653 /nfs/dbraw/zinc/96/36/53/352963653.db2.gz VWGHXJJMPHZBHF-MNOVXSKESA-N 2 0 199.342 0.668 20 0 ACADRP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])OC 643489934 352964069 /nfs/dbraw/zinc/96/40/69/352964069.db2.gz STBVAWRWJIKIRC-KXUCPTDWSA-N 2 0 186.299 0.881 20 0 ACADRP CC[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])OC 643489933 352964111 /nfs/dbraw/zinc/96/41/11/352964111.db2.gz STBVAWRWJIKIRC-BBBLOLIVSA-N 2 0 186.299 0.881 20 0 ACADRP C[C@@H](C[NH+](C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 643489232 352964381 /nfs/dbraw/zinc/96/43/81/352964381.db2.gz GATUSHIICOBQSL-GARJFASQSA-N 2 0 199.342 0.667 20 0 ACADRP C[C@@H](C[NH+](C)C)N[C@H](C)[C@H]1CCC[NH2+]1 643489233 352964397 /nfs/dbraw/zinc/96/43/97/352964397.db2.gz GATUSHIICOBQSL-HBNTYKKESA-N 2 0 199.342 0.667 20 0 ACADRP C[C@@H](C[NH+](C)C)N[C@H](C)[C@@H]1CCC[NH2+]1 643489230 352964485 /nfs/dbraw/zinc/96/44/85/352964485.db2.gz GATUSHIICOBQSL-AXFHLTTASA-N 2 0 199.342 0.667 20 0 ACADRP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])OC 643489935 352964573 /nfs/dbraw/zinc/96/45/73/352964573.db2.gz STBVAWRWJIKIRC-OPRDCNLKSA-N 2 0 186.299 0.881 20 0 ACADRP CC[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])OC 643489936 352964696 /nfs/dbraw/zinc/96/46/96/352964696.db2.gz STBVAWRWJIKIRC-UTLUCORTSA-N 2 0 186.299 0.881 20 0 ACADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCO1 643492175 352966517 /nfs/dbraw/zinc/96/65/17/352966517.db2.gz WNEZNJDWPCHEIS-MXWKQRLJSA-N 2 0 198.310 0.882 20 0 ACADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCO1 643492173 352966586 /nfs/dbraw/zinc/96/65/86/352966586.db2.gz WNEZNJDWPCHEIS-GMTAPVOTSA-N 2 0 198.310 0.882 20 0 ACADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 643493578 352966968 /nfs/dbraw/zinc/96/69/68/352966968.db2.gz KFMUEIFGUMCILB-VLEAKVRGSA-N 2 0 198.310 0.759 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 643493579 352966997 /nfs/dbraw/zinc/96/69/97/352966997.db2.gz KFMUEIFGUMCILB-YTWAJWBKSA-N 2 0 198.310 0.759 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 643493577 352967300 /nfs/dbraw/zinc/96/73/00/352967300.db2.gz KFMUEIFGUMCILB-LMLFDSFASA-N 2 0 198.310 0.759 20 0 ACADRP 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C[NH2+]CCCN[C@@H]1CCCC[C@@H]1C[NH3+] 643498613 352971902 /nfs/dbraw/zinc/97/19/02/352971902.db2.gz MCUAQTUEZSBJLZ-GHMZBOCLSA-N 2 0 199.342 0.703 20 0 ACADRP C[NH2+]CCC[NH2+][C@@H](C)[C@H](C)OC 643498397 352971912 /nfs/dbraw/zinc/97/19/12/352971912.db2.gz VCCATQLTOBMONH-IUCAKERBSA-N 2 0 174.288 0.609 20 0 ACADRP C[NH2+]CCC[NH2+][C@H](C)[C@H]1CCCO1 643498529 352972013 /nfs/dbraw/zinc/97/20/13/352972013.db2.gz RCYMKVOJILBOCK-NXEZZACHSA-N 2 0 186.299 0.753 20 0 ACADRP C[NH2+]CCC[NH2+][C@H](C)[C@H](C)OC 643498395 352972061 /nfs/dbraw/zinc/97/20/61/352972061.db2.gz VCCATQLTOBMONH-BDAKNGLRSA-N 2 0 174.288 0.609 20 0 ACADRP C[NH2+]CCCN[C@@H](C)[C@H]1CCC[NH2+]1 643498619 352972068 /nfs/dbraw/zinc/97/20/68/352972068.db2.gz MDJQWSADOBKPGF-VHSXEESVSA-N 2 0 185.315 0.326 20 0 ACADRP C[NH2+]CCC[NH2+][C@H](C)[C@@H]1CCCO1 643498532 352972083 /nfs/dbraw/zinc/97/20/83/352972083.db2.gz RCYMKVOJILBOCK-ZJUUUORDSA-N 2 0 186.299 0.753 20 0 ACADRP C[NH2+]CCCN[C@H](C)[C@@H]1CCC[NH2+]1 643498620 352972130 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ACADRP C[C@H](N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[NH2+]1 643499893 352974349 /nfs/dbraw/zinc/97/43/49/352974349.db2.gz YDDJOBUAZRFSMW-DCAQKATOSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@H](N[C@H]1CC[NH2+]C1)[C@H]1CCCC[NH2+]1 643499894 352974353 /nfs/dbraw/zinc/97/43/53/352974353.db2.gz YDDJOBUAZRFSMW-GARJFASQSA-N 2 0 197.326 0.469 20 0 ACADRP C[NH2+]CCN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 643504441 352975077 /nfs/dbraw/zinc/97/50/77/352975077.db2.gz MBFPFQXEYHGCRU-ZJUUUORDSA-N 2 0 197.326 0.421 20 0 ACADRP C[NH2+]CCN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 643504438 352975225 /nfs/dbraw/zinc/97/52/25/352975225.db2.gz MBFPFQXEYHGCRU-NXEZZACHSA-N 2 0 197.326 0.421 20 0 ACADRP C[NH2+]CCN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C 643504481 352975709 /nfs/dbraw/zinc/97/57/09/352975709.db2.gz WXGJMIWTQTZNCX-GXSJLCMTSA-N 2 0 197.326 0.278 20 0 ACADRP C[NH2+]CCN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C 643504483 352975936 /nfs/dbraw/zinc/97/59/36/352975936.db2.gz WXGJMIWTQTZNCX-MWLCHTKSSA-N 2 0 197.326 0.278 20 0 ACADRP C[NH2+]CCN[C@H]1C[N@@H+](C2CC2)C[C@@H]1C 643504484 352975950 /nfs/dbraw/zinc/97/59/50/352975950.db2.gz WXGJMIWTQTZNCX-ONGXEEELSA-N 2 0 197.326 0.278 20 0 ACADRP C[NH2+]CCN[C@H]1C[N@@H+](C2CC2)C[C@H]1C 643504482 352976206 /nfs/dbraw/zinc/97/62/06/352976206.db2.gz WXGJMIWTQTZNCX-KOLCDFICSA-N 2 0 197.326 0.278 20 0 ACADRP C[NH2+]CCN[C@H](C)[C@@H]1CCCC[NH2+]1 643504627 352976598 /nfs/dbraw/zinc/97/65/98/352976598.db2.gz QJKUVKXOPBOJDD-ZJUUUORDSA-N 2 0 185.315 0.326 20 0 ACADRP C[NH2+]CCN[C@@H](C)[C@H]1CCCC[NH2+]1 643504626 352976740 /nfs/dbraw/zinc/97/67/40/352976740.db2.gz QJKUVKXOPBOJDD-VHSXEESVSA-N 2 0 185.315 0.326 20 0 ACADRP C[NH2+]CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 643504625 352976762 /nfs/dbraw/zinc/97/67/62/352976762.db2.gz QJKUVKXOPBOJDD-UWVGGRQHSA-N 2 0 185.315 0.326 20 0 ACADRP CC[C@@H](NCC[NH2+]C)[C@@H]1CCC[NH2+]1 643504629 352976821 /nfs/dbraw/zinc/97/68/21/352976821.db2.gz ROBFEPUYQVWGBL-ZJUUUORDSA-N 2 0 185.315 0.326 20 0 ACADRP CC[C@H](NCC[NH2+]C)[C@@H]1CCC[NH2+]1 643504628 352977019 /nfs/dbraw/zinc/97/70/19/352977019.db2.gz ROBFEPUYQVWGBL-UWVGGRQHSA-N 2 0 185.315 0.326 20 0 ACADRP C[NH2+]CCN[C@H](C)[C@H]1CCCC[NH2+]1 643504624 352977120 /nfs/dbraw/zinc/97/71/20/352977120.db2.gz QJKUVKXOPBOJDD-NXEZZACHSA-N 2 0 185.315 0.326 20 0 ACADRP CC[NH2+]CCN[C@@H]1CC[NH2+]CC[C@H]1C 643505640 352978600 /nfs/dbraw/zinc/97/86/00/352978600.db2.gz NGKGWYLFDNSOIC-GHMZBOCLSA-N 2 0 199.342 0.574 20 0 ACADRP CC[NH2+]CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 643505634 352978612 /nfs/dbraw/zinc/97/86/12/352978612.db2.gz MCTURPDUSNAEFD-QWRGUYRKSA-N 2 0 199.342 0.716 20 0 ACADRP CC[NH2+]CCN[C@H](C)[C@@H]1CCCC[NH2+]1 643505633 352978615 /nfs/dbraw/zinc/97/86/15/352978615.db2.gz MCTURPDUSNAEFD-MNOVXSKESA-N 2 0 199.342 0.716 20 0 ACADRP CC[NH2+]CCN[C@@H]1CCCCC[C@H]1[NH3+] 643505576 352978618 /nfs/dbraw/zinc/97/86/18/352978618.db2.gz GAJRAYFWRLFVHQ-GHMZBOCLSA-N 2 0 199.342 0.846 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 643505931 352978622 /nfs/dbraw/zinc/97/86/22/352978622.db2.gz DZZQYVVKALYSAI-AXFHLTTASA-N 2 0 197.326 0.455 20 0 ACADRP CC[NH2+]CCN[C@@H](C)[C@H]1CCC[NH2+]1 643505582 352978633 /nfs/dbraw/zinc/97/86/33/352978633.db2.gz GCLRNRZCSOILKF-VHSXEESVSA-N 2 0 185.315 0.326 20 0 ACADRP CC[NH2+]CCN[C@H]1CCCCC[C@H]1[NH3+] 643505577 352978662 /nfs/dbraw/zinc/97/86/62/352978662.db2.gz GAJRAYFWRLFVHQ-MNOVXSKESA-N 2 0 199.342 0.846 20 0 ACADRP CC[NH2+]CCN[C@@H]1C[NH2+]CC[C@H]1C 643505616 352978693 /nfs/dbraw/zinc/97/86/93/352978693.db2.gz JVHDNGDJWKAZHT-NXEZZACHSA-N 2 0 185.315 0.184 20 0 ACADRP CC[NH2+]CCN[C@H]1CCCC[C@H]1C[NH3+] 643505614 352978722 /nfs/dbraw/zinc/97/87/22/352978722.db2.gz JPEFXTJOTYWFAT-QWRGUYRKSA-N 2 0 199.342 0.703 20 0 ACADRP CC[NH2+]CCN[C@H]1CCCCC[C@@H]1[NH3+] 643505578 352978736 /nfs/dbraw/zinc/97/87/36/352978736.db2.gz GAJRAYFWRLFVHQ-QWRGUYRKSA-N 2 0 199.342 0.846 20 0 ACADRP CC[NH2+]CCN[C@@H]1CC[NH2+]CC[C@@H]1C 643505643 352978750 /nfs/dbraw/zinc/97/87/50/352978750.db2.gz NGKGWYLFDNSOIC-WDEREUQCSA-N 2 0 199.342 0.574 20 0 ACADRP CC[NH2+]CCN[C@H]1C[NH2+]CC[C@H]1C 643505619 352978765 /nfs/dbraw/zinc/97/87/65/352978765.db2.gz JVHDNGDJWKAZHT-ZJUUUORDSA-N 2 0 185.315 0.184 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 643505934 352978767 /nfs/dbraw/zinc/97/87/67/352978767.db2.gz DZZQYVVKALYSAI-HBNTYKKESA-N 2 0 197.326 0.455 20 0 ACADRP CC[NH2+]CCN[C@H]1CC[NH2+]CC[C@H]1C 643505641 352978775 /nfs/dbraw/zinc/97/87/75/352978775.db2.gz NGKGWYLFDNSOIC-MNOVXSKESA-N 2 0 199.342 0.574 20 0 ACADRP CC[NH2+]CCN[C@@H]1CCCCC[C@@H]1[NH3+] 643505579 352978791 /nfs/dbraw/zinc/97/87/91/352978791.db2.gz GAJRAYFWRLFVHQ-WDEREUQCSA-N 2 0 199.342 0.846 20 0 ACADRP CC[NH2+]CCN[C@H]1C[NH2+]CC[C@@H]1C 643505617 352978932 /nfs/dbraw/zinc/97/89/32/352978932.db2.gz JVHDNGDJWKAZHT-UWVGGRQHSA-N 2 0 185.315 0.184 20 0 ACADRP CC[NH2+]CCN[C@@H](C)[C@H]1CCCC[NH2+]1 643505635 352978954 /nfs/dbraw/zinc/97/89/54/352978954.db2.gz MCTURPDUSNAEFD-WDEREUQCSA-N 2 0 199.342 0.716 20 0 ACADRP CC[NH2+]CCN[C@@H](C)[C@@H]1CCC[NH2+]1 643505581 352978959 /nfs/dbraw/zinc/97/89/59/352978959.db2.gz GCLRNRZCSOILKF-UWVGGRQHSA-N 2 0 185.315 0.326 20 0 ACADRP CC[NH2+]CCN[C@H](CC)[C@@H]1CCC[NH2+]1 643505556 352979016 /nfs/dbraw/zinc/97/90/16/352979016.db2.gz BXEIFXODEGQXAZ-MNOVXSKESA-N 2 0 199.342 0.716 20 0 ACADRP CC[NH2+]CCN[C@H](C)[C@H]1CCC[NH2+]1 643505580 352979029 /nfs/dbraw/zinc/97/90/29/352979029.db2.gz GCLRNRZCSOILKF-NXEZZACHSA-N 2 0 185.315 0.326 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]1 643505932 352979042 /nfs/dbraw/zinc/97/90/42/352979042.db2.gz DZZQYVVKALYSAI-DCAQKATOSA-N 2 0 197.326 0.455 20 0 ACADRP CC[NH2+]CCN[C@@H]1CCCC[C@H]1C[NH3+] 643505615 352979087 /nfs/dbraw/zinc/97/90/87/352979087.db2.gz JPEFXTJOTYWFAT-WDEREUQCSA-N 2 0 199.342 0.703 20 0 ACADRP CC[NH2+]CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 643505557 352979135 /nfs/dbraw/zinc/97/91/35/352979135.db2.gz BXEIFXODEGQXAZ-QWRGUYRKSA-N 2 0 199.342 0.716 20 0 ACADRP CC[NH2+]CCN[C@H]1CC[NH2+]CC[C@@H]1C 643505642 352979225 /nfs/dbraw/zinc/97/92/25/352979225.db2.gz NGKGWYLFDNSOIC-QWRGUYRKSA-N 2 0 199.342 0.574 20 0 ACADRP CC[NH2+]CCN[C@@H]1CCCC[C@@H]1C[NH3+] 643505612 352979234 /nfs/dbraw/zinc/97/92/34/352979234.db2.gz JPEFXTJOTYWFAT-GHMZBOCLSA-N 2 0 199.342 0.703 20 0 ACADRP CC[NH2+]CCN[C@H](C)[C@H]1CCCC[NH2+]1 643505632 352979252 /nfs/dbraw/zinc/97/92/52/352979252.db2.gz MCTURPDUSNAEFD-GHMZBOCLSA-N 2 0 199.342 0.716 20 0 ACADRP CC[NH2+]CCN[C@H]1CCCC[C@@H]1C[NH3+] 643505613 352979265 /nfs/dbraw/zinc/97/92/65/352979265.db2.gz JPEFXTJOTYWFAT-MNOVXSKESA-N 2 0 199.342 0.703 20 0 ACADRP CC[NH2+]CCN[C@@H]1C[NH2+]CC[C@@H]1C 643505618 352979282 /nfs/dbraw/zinc/97/92/82/352979282.db2.gz JVHDNGDJWKAZHT-VHSXEESVSA-N 2 0 185.315 0.184 20 0 ACADRP CC[NH2+]CCN[C@H](C)[C@@H]1CCC[NH2+]1 643505583 352979298 /nfs/dbraw/zinc/97/92/98/352979298.db2.gz GCLRNRZCSOILKF-ZJUUUORDSA-N 2 0 185.315 0.326 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[NH2+]1 643505933 352979326 /nfs/dbraw/zinc/97/93/26/352979326.db2.gz DZZQYVVKALYSAI-GARJFASQSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[NH2+]1 643506279 352979608 /nfs/dbraw/zinc/97/96/08/352979608.db2.gz QVBOJJJUVSIDHY-MXWKQRLJSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 643506071 352979624 /nfs/dbraw/zinc/97/96/24/352979624.db2.gz JWVUDKFISHPUKU-AXFHLTTASA-N 2 0 197.326 0.469 20 0 ACADRP C[C@@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 643506078 352979663 /nfs/dbraw/zinc/97/96/63/352979663.db2.gz JWVUDKFISHPUKU-VWYCJHECSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 643506073 352979678 /nfs/dbraw/zinc/97/96/78/352979678.db2.gz JWVUDKFISHPUKU-GARJFASQSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[NH2+]1 643506281 352979704 /nfs/dbraw/zinc/97/97/04/352979704.db2.gz QVBOJJJUVSIDHY-VWYCJHECSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[NH2+]1 643506280 352979724 /nfs/dbraw/zinc/97/97/24/352979724.db2.gz QVBOJJJUVSIDHY-OUAUKWLOSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[NH2+]1 643506182 352979767 /nfs/dbraw/zinc/97/97/67/352979767.db2.gz NGWAUVVKZRXTSW-GHMZBOCLSA-N 3 0 199.342 0.846 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[NH2+]1 643506185 352979837 /nfs/dbraw/zinc/97/98/37/352979837.db2.gz NGWAUVVKZRXTSW-WDEREUQCSA-N 3 0 199.342 0.846 20 0 ACADRP C[C@@H](NC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 643506076 352979871 /nfs/dbraw/zinc/97/98/71/352979871.db2.gz JWVUDKFISHPUKU-MXWKQRLJSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@H](NC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1 643506072 352979886 /nfs/dbraw/zinc/97/98/86/352979886.db2.gz JWVUDKFISHPUKU-DCAQKATOSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[NH2+]1 643506184 352979957 /nfs/dbraw/zinc/97/99/57/352979957.db2.gz NGWAUVVKZRXTSW-QWRGUYRKSA-N 3 0 199.342 0.846 20 0 ACADRP C[C@H](NC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 643506075 352980136 /nfs/dbraw/zinc/98/01/36/352980136.db2.gz JWVUDKFISHPUKU-HBNTYKKESA-N 2 0 197.326 0.469 20 0 ACADRP C[C@@H](NC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 643506074 352980289 /nfs/dbraw/zinc/98/02/89/352980289.db2.gz JWVUDKFISHPUKU-GMTAPVOTSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[NH2+]1 643506278 352980359 /nfs/dbraw/zinc/98/03/59/352980359.db2.gz QVBOJJJUVSIDHY-GMTAPVOTSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@@H](NC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]1 643506077 352980384 /nfs/dbraw/zinc/98/03/84/352980384.db2.gz JWVUDKFISHPUKU-OUAUKWLOSA-N 2 0 197.326 0.469 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[NH2+]1 643506183 352980386 /nfs/dbraw/zinc/98/03/86/352980386.db2.gz NGWAUVVKZRXTSW-MNOVXSKESA-N 3 0 199.342 0.846 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]CCNC1CC1 643508131 352980551 /nfs/dbraw/zinc/98/05/51/352980551.db2.gz MYMCQGYPXAHHSK-JTQLQIEISA-N 2 0 199.342 0.846 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+]CCNC1CC1 643508132 352980650 /nfs/dbraw/zinc/98/06/50/352980650.db2.gz MYMCQGYPXAHHSK-SNVBAGLBSA-N 2 0 199.342 0.846 20 0 ACADRP C[C@H](NCC[NH2+]C1CC1)[C@H]1CCC[NH2+]1 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COYAMIVYVOCQCY-QWRGUYRKSA-N 2 0 199.342 0.703 20 0 ACADRP CCC[NH2+]CCN[C@H]1CCC[C@@H]1C[NH3+] 643515104 352986852 /nfs/dbraw/zinc/98/68/52/352986852.db2.gz COYAMIVYVOCQCY-MNOVXSKESA-N 2 0 199.342 0.703 20 0 ACADRP CCC[NH2+]CCN[C@@H]1CCC[C@H]1C[NH3+] 643515106 352986874 /nfs/dbraw/zinc/98/68/74/352986874.db2.gz COYAMIVYVOCQCY-WDEREUQCSA-N 2 0 199.342 0.703 20 0 ACADRP CCC[NH2+]CCN[C@@H](C)[C@H]1CCC[NH2+]1 643515102 352986886 /nfs/dbraw/zinc/98/68/86/352986886.db2.gz CNRWIYGVFGUYNO-WDEREUQCSA-N 2 0 199.342 0.716 20 0 ACADRP C[C@H]1CC[NH2+]C[C@H]1N[C@H]1CCC[NH2+]C1 643515702 352987197 /nfs/dbraw/zinc/98/71/97/352987197.db2.gz SQRYDPVOVLCJEH-GARJFASQSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[NH2+]C1 643515701 352987669 /nfs/dbraw/zinc/98/76/69/352987669.db2.gz SQRYDPVOVLCJEH-DCAQKATOSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC[NH2+]C1 643523485 352991678 /nfs/dbraw/zinc/99/16/78/352991678.db2.gz SQRYDPVOVLCJEH-HBNTYKKESA-N 2 0 197.326 0.326 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643529947 352997482 /nfs/dbraw/zinc/99/74/82/352997482.db2.gz ORDBKHCNLJGKLX-OUAUKWLOSA-N 2 0 199.342 0.701 20 0 ACADRP CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1C[NH3+] 643529946 352997503 /nfs/dbraw/zinc/99/75/03/352997503.db2.gz ORDBKHCNLJGKLX-MXWKQRLJSA-N 2 0 199.342 0.701 20 0 ACADRP CC[NH2+][C@H](C)CN[C@H]1C[NH2+]CC[C@H]1C 643529944 352997559 /nfs/dbraw/zinc/99/75/59/352997559.db2.gz OLPQDVLVCXVRCD-MXWKQRLJSA-N 2 0 199.342 0.572 20 0 ACADRP CC[NH2+][C@H](C)CN[C@@H](C)[C@H]1CCC[NH2+]1 643529774 352997587 /nfs/dbraw/zinc/99/75/87/352997587.db2.gz DHQRBHKDFGHJDE-OUAUKWLOSA-N 2 0 199.342 0.715 20 0 ACADRP CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1C[NH3+] 643529948 352997575 /nfs/dbraw/zinc/99/75/75/352997575.db2.gz ORDBKHCNLJGKLX-VWYCJHECSA-N 2 0 199.342 0.701 20 0 ACADRP CC[NH2+][C@H](C)CN[C@@H]1C[NH2+]CC[C@H]1C 643529942 352997722 /nfs/dbraw/zinc/99/77/22/352997722.db2.gz OLPQDVLVCXVRCD-GMTAPVOTSA-N 2 0 199.342 0.572 20 0 ACADRP CC[NH2+][C@H](C)CN[C@@H]1C[NH2+]CC[C@@H]1C 643529943 352997767 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643533463 353000236 /nfs/dbraw/zinc/00/02/36/353000236.db2.gz CVUKEBHIEIZNGB-FBDQPXRJSA-N 2 0 196.294 0.361 20 0 ACADRP COC[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C 643533298 353000266 /nfs/dbraw/zinc/00/02/66/353000266.db2.gz FFZXBJSZSUIGLM-YTWAJWBKSA-N 2 0 198.310 0.465 20 0 ACADRP COC[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533493 353000279 /nfs/dbraw/zinc/00/02/79/353000279.db2.gz ICBRGQORNLAEPM-YTWAJWBKSA-N 2 0 196.294 0.219 20 0 ACADRP COC[C@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533494 353000325 /nfs/dbraw/zinc/00/03/25/353000325.db2.gz ICBRGQORNLAEPM-ZRUFSTJUSA-N 2 0 196.294 0.219 20 0 ACADRP CC[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533609 353000342 /nfs/dbraw/zinc/00/03/42/353000342.db2.gz XJTLNACIWFBAGC-YTWAJWBKSA-N 2 0 180.295 0.982 20 0 ACADRP COC[C@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C(C)C 643533299 353000366 /nfs/dbraw/zinc/00/03/66/353000366.db2.gz FFZXBJSZSUIGLM-ZRUFSTJUSA-N 2 0 198.310 0.465 20 0 ACADRP C1CC1C([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533547 353000378 /nfs/dbraw/zinc/00/03/78/353000378.db2.gz PHCWGGXRYPINME-IAZYJMLFSA-N 2 0 192.306 0.982 20 0 ACADRP CO[C@H](C)[C@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533580 353000386 /nfs/dbraw/zinc/00/03/86/353000386.db2.gz SQYNOLMXKIUOPV-SQXHDICFSA-N 2 0 184.283 0.217 20 0 ACADRP C[C@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 643533306 353000400 /nfs/dbraw/zinc/00/04/00/353000400.db2.gz GHOCBBUXMXFCBE-BEYHFKMWSA-N 2 0 166.268 0.592 20 0 ACADRP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[NH2+]C[C@H]1O 643531599 353000432 /nfs/dbraw/zinc/00/04/32/353000432.db2.gz SGUYHWKWZAGPPP-CHWFTXMASA-N 2 0 198.310 0.345 20 0 ACADRP C[C@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCCO1 643533465 353000441 /nfs/dbraw/zinc/00/04/41/353000441.db2.gz CVUKEBHIEIZNGB-QUARPLMYSA-N 2 0 196.294 0.361 20 0 ACADRP CO[C@@H](C)[C@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643538930 353000679 /nfs/dbraw/zinc/00/06/79/353000679.db2.gz SQYNOLMXKIUOPV-RXKWGBCNSA-N 2 0 184.283 0.217 20 0 ACADRP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643534210 353000704 /nfs/dbraw/zinc/00/07/04/353000704.db2.gz OIMJXNZBLQTUIB-UVOCVTCTSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@H]1C 643533954 353000709 /nfs/dbraw/zinc/00/07/09/353000709.db2.gz IROZMNJHOBVRFM-LBWRMUMUSA-N 2 0 180.295 0.838 20 0 ACADRP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643538929 353000713 /nfs/dbraw/zinc/00/07/13/353000713.db2.gz SQYNOLMXKIUOPV-KGDYZURWSA-N 2 0 184.283 0.217 20 0 ACADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)O1 643534518 353000757 /nfs/dbraw/zinc/00/07/57/353000757.db2.gz WVTXOQYVTZAQNB-FJCSBZGASA-N 2 0 196.294 0.360 20 0 ACADRP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1C 643533952 353000761 /nfs/dbraw/zinc/00/07/61/353000761.db2.gz IROZMNJHOBVRFM-FJCSBZGASA-N 2 0 180.295 0.838 20 0 ACADRP CC[C@H]1CC[C@@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643539117 353000765 /nfs/dbraw/zinc/00/07/65/353000765.db2.gz OIMJXNZBLQTUIB-QUARPLMYSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1C[C@H]1C 643534653 353000770 /nfs/dbraw/zinc/00/07/70/353000770.db2.gz ZLFXBRAFWWUVKJ-HDKHJMDYSA-N 2 0 180.295 0.838 20 0 ACADRP C[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCO1 643539091 353000819 /nfs/dbraw/zinc/00/08/19/353000819.db2.gz CVUKEBHIEIZNGB-NZFPMDFQSA-N 2 0 196.294 0.361 20 0 ACADRP CC1(C)CC[C@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533959 353000823 /nfs/dbraw/zinc/00/08/23/353000823.db2.gz IRQXIENFLTYODW-RGOKHQFPSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1O[C@H](C)C[C@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643539134 353000872 /nfs/dbraw/zinc/00/08/72/353000872.db2.gz WVTXOQYVTZAQNB-JXVKQMKBSA-N 2 0 196.294 0.360 20 0 ACADRP CC[C@H]1CC[C@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643539116 353000902 /nfs/dbraw/zinc/00/09/02/353000902.db2.gz OIMJXNZBLQTUIB-FBDQPXRJSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)O1 643539135 353000919 /nfs/dbraw/zinc/00/09/19/353000919.db2.gz WVTXOQYVTZAQNB-RJRBEDEGSA-N 2 0 196.294 0.360 20 0 ACADRP CC1(C)CC[C@@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643533958 353000939 /nfs/dbraw/zinc/00/09/39/353000939.db2.gz IRQXIENFLTYODW-QCLAVDOMSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643534520 353000956 /nfs/dbraw/zinc/00/09/56/353000956.db2.gz WVTXOQYVTZAQNB-LBWRMUMUSA-N 2 0 196.294 0.360 20 0 ACADRP CC[C@@H]1CC[C@H]1[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643534209 353000969 /nfs/dbraw/zinc/00/09/69/353000969.db2.gz OIMJXNZBLQTUIB-NZFPMDFQSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@@H]([NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCCO1 643539092 353000975 /nfs/dbraw/zinc/00/09/75/353000975.db2.gz CVUKEBHIEIZNGB-UVOCVTCTSA-N 2 0 196.294 0.361 20 0 ACADRP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21 643534657 353000980 /nfs/dbraw/zinc/00/09/80/353000980.db2.gz ZLFXBRAFWWUVKJ-UUFBCVLASA-N 2 0 180.295 0.838 20 0 ACADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 643542339 353003002 /nfs/dbraw/zinc/00/30/02/353003002.db2.gz OZUSMPXMUHEWHX-KOLCDFICSA-N 2 0 198.310 0.753 20 0 ACADRP CC[C@@H]([NH3+])CN[C@@H](C)[C@H]1CCCC[NH2+]1 643540693 353003094 /nfs/dbraw/zinc/00/30/94/353003094.db2.gz AEXPGLRFHIYNHX-HBNTYKKESA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@@H]([NH3+])CN[C@H](CC)[C@@H]1CCC[NH2+]1 643540717 353003113 /nfs/dbraw/zinc/00/31/13/353003113.db2.gz DYKVWUVWPCRLRG-MXWKQRLJSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H](NC[C@H]([NH3+])CC)[C@@H]1CCC[NH2+]1 643540718 353003117 /nfs/dbraw/zinc/00/31/17/353003117.db2.gz DYKVWUVWPCRLRG-VWYCJHECSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H]([NH3+])CN[C@@H](C)[C@@H]1CCCC[NH2+]1 643540690 353003157 /nfs/dbraw/zinc/00/31/57/353003157.db2.gz AEXPGLRFHIYNHX-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H]([NH3+])CN[C@@H]1CCCCC[C@H]1[NH3+] 643540710 353003169 /nfs/dbraw/zinc/00/31/69/353003169.db2.gz BUUZOGLJERKLEJ-HBNTYKKESA-N 2 0 199.342 0.973 20 0 ACADRP CC[C@H]([NH3+])CN[C@@H](CC)[C@@H]1CCC[NH2+]1 643540716 353003185 /nfs/dbraw/zinc/00/31/85/353003185.db2.gz DYKVWUVWPCRLRG-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@H]([NH3+])CN[C@H](CC)[C@@H]1CCC[NH2+]1 643540715 353003213 /nfs/dbraw/zinc/00/32/13/353003213.db2.gz DYKVWUVWPCRLRG-AXFHLTTASA-N 2 0 199.342 0.844 20 0 ACADRP CC[C@@H]([NH3+])CN[C@H](C)[C@H]1CCCC[NH2+]1 643540692 353003241 /nfs/dbraw/zinc/00/32/41/353003241.db2.gz AEXPGLRFHIYNHX-GMTAPVOTSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 643542338 353003288 /nfs/dbraw/zinc/00/32/88/353003288.db2.gz OZUSMPXMUHEWHX-GXSJLCMTSA-N 2 0 198.310 0.753 20 0 ACADRP CC[C@H]([NH3+])CN[C@H]1CCCCC[C@H]1[NH3+] 643540707 353003360 /nfs/dbraw/zinc/00/33/60/353003360.db2.gz BUUZOGLJERKLEJ-AXFHLTTASA-N 2 0 199.342 0.973 20 0 ACADRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 643542340 353003408 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/nfs/dbraw/zinc/00/87/06/353008706.db2.gz YSOLOUZPCLVZCT-OPRDCNLKSA-N 2 0 186.299 0.881 20 0 ACADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH3+] 19272271 371623999 /nfs/dbraw/zinc/62/39/99/371623999.db2.gz KEDJCXIQWLOGKO-NSHDSACASA-N 2 0 194.278 0.438 20 0 ACADRP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH3+] 19272273 371624312 /nfs/dbraw/zinc/62/43/12/371624312.db2.gz KEDJCXIQWLOGKO-LLVKDONJSA-N 2 0 194.278 0.438 20 0 ACADRP CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 205042069 371705781 /nfs/dbraw/zinc/70/57/81/371705781.db2.gz QJPWMYOOXIVHFE-JGVFFNPUSA-N 2 0 142.246 0.675 20 0 ACADRP C[N@@H+]1CCCN([C@H]2CCC[C@@H]2[NH3+])CC1 238856196 371731366 /nfs/dbraw/zinc/73/13/66/371731366.db2.gz VHYJFJACQXFBDM-QWRGUYRKSA-N 2 0 197.326 0.504 20 0 in-vitro ACADRP C[N@@H+]1CCCN([C@@H]2CCC[C@H]2[NH3+])CC1 238856194 371731460 /nfs/dbraw/zinc/73/14/60/371731460.db2.gz VHYJFJACQXFBDM-GHMZBOCLSA-N 2 0 197.326 0.504 20 0 in-vitro ACADRP C[N@@H+]1CCCN([C@H]2CCC[C@H]2[NH3+])CC1 238856195 371731583 /nfs/dbraw/zinc/73/15/83/371731583.db2.gz VHYJFJACQXFBDM-MNOVXSKESA-N 2 0 197.326 0.504 20 0 in-vitro ACADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC2)C1 250663238 371735113 /nfs/dbraw/zinc/73/51/13/371735113.db2.gz QUQMZNAFEKBVHU-BBBLOLIVSA-N 2 0 184.283 0.635 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCOC2)C1 250663240 371735422 /nfs/dbraw/zinc/73/54/22/371735422.db2.gz QUQMZNAFEKBVHU-UTLUCORTSA-N 2 0 184.283 0.635 20 0 ACADRP C[C@H]1C[NH2+]C[C@@H](C)[C@@H]1[NH3+] 256011067 371738856 /nfs/dbraw/zinc/73/88/56/371738856.db2.gz XJSUUJDMFDMIGK-ZMONIFLSSA-N 2 0 128.219 0.189 20 0 ACADRP C[C@@]1(C[N@@H+]2CC[C@H](CO)C2)CC[NH2+]C1 306510396 371758843 /nfs/dbraw/zinc/75/88/43/371758843.db2.gz KYVAIGYUUUYQKE-WDEREUQCSA-N 2 0 198.310 0.300 20 0 ACADRP C[C@@H]1CC[N@H+](C)CCN1CC(C)(C)[NH3+] 306511019 371758913 /nfs/dbraw/zinc/75/89/13/371758913.db2.gz MCXZVPJFALYNBC-SNVBAGLBSA-N 2 0 199.342 0.750 20 0 ACADRP CC(C)([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 307137391 371773034 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/nfs/dbraw/zinc/64/94/82/375649482.db2.gz OFFJOXNPNFNZOK-DCAQKATOSA-N 3 0 197.326 0.394 20 0 ACADRP CN(CCC[NH3+])CC(C)(C)C[NH3+] 647505240 375649500 /nfs/dbraw/zinc/64/95/00/375649500.db2.gz MXAGLBGVKYLVKP-UHFFFAOYSA-N 2 0 173.304 0.252 20 0 ACADRP C[C@H]1C[C@H](C[NH3+])CN1CCC[NH3+] 647508105 375649522 /nfs/dbraw/zinc/64/95/22/375649522.db2.gz HRRJFGJGTLFNOX-DTWKUNHWSA-N 2 0 171.288 0.004 20 0 ACADRP C[NH2+]CCC1CC[NH+](CCC[NH3+])CC1 647509968 375649541 /nfs/dbraw/zinc/64/95/41/375649541.db2.gz PTQWTJCIWGMPFK-UHFFFAOYSA-N 3 0 199.342 0.657 20 0 ACADRP C[C@H]1C[C@@H](C[NH3+])CN1CCC[NH3+] 647508106 375649574 /nfs/dbraw/zinc/64/95/74/375649574.db2.gz HRRJFGJGTLFNOX-IUCAKERBSA-N 2 0 171.288 0.004 20 0 ACADRP CC(C)[C@@H]([NH3+])CCN(C)CCC[NH3+] 647505935 375649620 /nfs/dbraw/zinc/64/96/20/375649620.db2.gz RJQDZTSSYZIQLP-JTQLQIEISA-N 2 0 187.331 0.640 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCCN(CCC[NH3+])C1 647496528 375649634 /nfs/dbraw/zinc/64/96/34/375649634.db2.gz RAZIOFINKTZSEO-UWVGGRQHSA-N 2 0 185.315 0.394 20 0 ACADRP C[C@@H]1C[C@H](C[NH3+])CN1CCC[NH3+] 647508107 375649648 /nfs/dbraw/zinc/64/96/48/375649648.db2.gz HRRJFGJGTLFNOX-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]1CCCN(CCC[NH3+])[C@H]1C[NH3+] 647496765 375649673 /nfs/dbraw/zinc/64/96/73/375649673.db2.gz PBDICUMUQKMDIZ-ZJUUUORDSA-N 2 0 185.315 0.394 20 0 ACADRP CC[C@H]1CN(CCC[NH3+])CC[C@@H]1[NH3+] 647497602 375649695 /nfs/dbraw/zinc/64/96/95/375649695.db2.gz NNHKIYCMOZQULL-UWVGGRQHSA-N 2 0 185.315 0.394 20 0 ACADRP C[C@H]1C[C@@H](C[N@H+](C)CCC[NH3+])CC[NH2+]1 647497029 375649757 /nfs/dbraw/zinc/64/97/57/375649757.db2.gz WXCGFTKWKLCKLO-QWRGUYRKSA-N 3 0 199.342 0.655 20 0 ACADRP CC1([NH3+])CCN(CCC[NH3+])CC1 647530779 375651442 /nfs/dbraw/zinc/65/14/42/375651442.db2.gz FGVZZJKUPZSLCP-UHFFFAOYSA-N 2 0 171.288 0.148 20 0 ACADRP [NH3+]CCCN1CC[C@H]2CC[NH2+][C@@H]2C1 647534941 375653075 /nfs/dbraw/zinc/65/30/75/375653075.db2.gz ZCSNNZULMJFJTO-NXEZZACHSA-N 2 0 183.299 0.019 20 0 ACADRP 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197.326 0.184 20 0 ACADRP C1CNC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 647546468 375655760 /nfs/dbraw/zinc/65/57/60/375655760.db2.gz LKDOKPFVKJGUAC-WDEREUQCSA-N 2 0 197.326 0.328 20 0 ACADRP CN(CCC[NH3+])C1(C[NH3+])CCC1 647545185 375655797 /nfs/dbraw/zinc/65/57/97/375655797.db2.gz QVQKTOFDRVUAFH-UHFFFAOYSA-N 2 0 171.288 0.148 20 0 ACADRP C1CC[C@H](CN[C@@H]2CCC[NH2+]C2)[NH2+]C1 647546376 375655844 /nfs/dbraw/zinc/65/58/44/375655844.db2.gz HUJJKPXZUSVJEL-GHMZBOCLSA-N 2 0 197.326 0.470 20 0 ACADRP NC[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 647546522 375655855 /nfs/dbraw/zinc/65/58/55/375655855.db2.gz NRQIKVJXPIAVCY-NSHDSACASA-N 2 0 197.326 0.313 20 0 ACADRP CC(C)([NH3+])CNCC1([NH3+])CCCCC1 647546170 375655908 /nfs/dbraw/zinc/65/59/08/375655908.db2.gz CEZLPHKBJFVFBO-UHFFFAOYSA-N 2 0 199.342 0.975 20 0 ACADRP CC(C)([NH3+])C[NH2+]CC1CC[NH2+]CC1 647546459 375655973 /nfs/dbraw/zinc/65/59/73/375655973.db2.gz KZZPSGSMCDLQMS-UHFFFAOYSA-N 3 0 185.315 0.313 20 0 ACADRP CCC([NH3+])(CC)CNCC(C)(C)[NH3+] 647546241 375655985 /nfs/dbraw/zinc/65/59/85/375655985.db2.gz GOKCAWSBZGCMHS-UHFFFAOYSA-N 2 0 187.331 0.831 20 0 ACADRP CNCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 647546447 375656009 /nfs/dbraw/zinc/65/60/09/375656009.db2.gz KRRSYPWLVYXPPM-GARJFASQSA-N 2 0 197.326 0.184 20 0 ACADRP CC(C)[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 647546412 375656033 /nfs/dbraw/zinc/65/60/33/375656033.db2.gz JEXOUTNMEGUAFN-ZJUUUORDSA-N 2 0 185.315 0.311 20 0 ACADRP CC(C)C[C@@H](C[NH3+])N[C@H]1CCC[NH2+]C1 647546482 375656060 /nfs/dbraw/zinc/65/60/60/375656060.db2.gz MDNBUKJPPCALAX-QWRGUYRKSA-N 2 0 199.342 0.701 20 0 ACADRP C1CNC[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 647546467 375656065 /nfs/dbraw/zinc/65/60/65/375656065.db2.gz LKDOKPFVKJGUAC-QWRGUYRKSA-N 2 0 197.326 0.328 20 0 ACADRP CC(C)C[C@@H](C[NH3+])N[C@@H]1CCC[NH2+]C1 647546481 375656097 /nfs/dbraw/zinc/65/60/97/375656097.db2.gz MDNBUKJPPCALAX-MNOVXSKESA-N 2 0 199.342 0.701 20 0 ACADRP C1CC[C@H](CN[C@H]2CCC[NH2+]C2)[NH2+]C1 647546380 375656103 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FWIVCMNCIFBQRC-VIFPVBQESA-N 3 0 187.331 0.831 20 0 ACADRP CCC[NH2+]CC[NH2+]CC1CC[NH2+]CC1 647547132 375658380 /nfs/dbraw/zinc/65/83/80/375658380.db2.gz OKXROLLBACNXKK-UHFFFAOYSA-N 3 0 199.342 0.575 20 0 ACADRP CC(C)([NH3+])C[NH2+]CC1(C)CC[NH2+]CC1 647546868 375658427 /nfs/dbraw/zinc/65/84/27/375658427.db2.gz FOHDPOBTZLPEJU-UHFFFAOYSA-N 3 0 199.342 0.703 20 0 ACADRP CC(C)([NH3+])CN[C@H]1CCC[NH2+]CC1 647547063 375658469 /nfs/dbraw/zinc/65/84/69/375658469.db2.gz MHSGEEAWROLOKG-VIFPVBQESA-N 2 0 185.315 0.455 20 0 ACADRP CCC[NH2+]CCN[C@@H]1CCC[NH2+]C1 647546850 375658546 /nfs/dbraw/zinc/65/85/46/375658546.db2.gz DPEANEFADMEIBS-SNVBAGLBSA-N 2 0 185.315 0.328 20 0 ACADRP CC(C)([NH3+])CN[C@@H](CC[NH3+])C(F)F 647547036 375658654 /nfs/dbraw/zinc/65/86/54/375658654.db2.gz LNJAASHISRMNEH-LURJTMIESA-N 2 0 195.257 0.296 20 0 ACADRP C1C[NH2+]CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 647547042 375658659 /nfs/dbraw/zinc/65/86/59/375658659.db2.gz LXRJCRBHHRNIAO-QWRGUYRKSA-N 2 0 197.326 0.470 20 0 ACADRP 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647547924 375660600 /nfs/dbraw/zinc/66/06/00/375660600.db2.gz LNLYQPWVDMUUME-NSHDSACASA-N 2 0 197.326 0.470 20 0 ACADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCNC1 647548151 375660657 /nfs/dbraw/zinc/66/06/57/375660657.db2.gz WRGMOZGPFFXWNH-VHSXEESVSA-N 2 0 185.315 0.455 20 0 ACADRP CC(C)([NH3+])C[NH2+][C@H]1CC[C@H](C[NH3+])C1 647548004 375660781 /nfs/dbraw/zinc/66/07/81/375660781.db2.gz QWMBWYQWYGVGIN-IUCAKERBSA-N 3 0 185.315 0.441 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+]CC1CC[NH2+]CC1 647547738 375660830 /nfs/dbraw/zinc/66/08/30/375660830.db2.gz BDHDEELDIPXZDX-SNVBAGLBSA-N 3 0 199.342 0.703 20 0 ACADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2)C1 647547799 375660926 /nfs/dbraw/zinc/66/09/26/375660926.db2.gz FLDKPBBQGVTCHI-GMTAPVOTSA-N 2 0 197.326 0.455 20 0 ACADRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCNC2)C1 647547802 375661001 /nfs/dbraw/zinc/66/10/01/375661001.db2.gz FLDKPBBQGVTCHI-VWYCJHECSA-N 2 0 197.326 0.455 20 0 ACADRP CC(C)([NH3+])CNC[C@@H]([NH3+])C1CC1 647547507 375661017 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/nfs/dbraw/zinc/66/12/02/375661202.db2.gz YKBHXCUECUSQLV-IUCAKERBSA-N 2 0 171.288 0.065 20 0 ACADRP CC(C)([NH3+])CNC[C@@H]1C[C@H](F)C[NH2+]1 647547857 375661218 /nfs/dbraw/zinc/66/12/18/375661218.db2.gz IGVVQTXEUCAWQC-YUMQZZPRSA-N 2 0 189.278 0.013 20 0 ACADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 647548005 375661227 /nfs/dbraw/zinc/66/12/27/375661227.db2.gz QWMBWYQWYGVGIN-RKDXNWHRSA-N 3 0 185.315 0.441 20 0 ACADRP CC(C)([NH3+])CNCCC[NH2+]C1CC1 647548014 375661243 /nfs/dbraw/zinc/66/12/43/375661243.db2.gz RESNBBPMDBQHPL-UHFFFAOYSA-N 2 0 185.315 0.455 20 0 ACADRP CC(C)([NH3+])C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 647548003 375661320 /nfs/dbraw/zinc/66/13/20/375661320.db2.gz QWMBWYQWYGVGIN-DTWKUNHWSA-N 3 0 185.315 0.441 20 0 ACADRP C[C@@H](CCC[NH3+])[NH2+]CC1CC[NH2+]CC1 647547737 375661357 /nfs/dbraw/zinc/66/13/57/375661357.db2.gz BDHDEELDIPXZDX-JTQLQIEISA-N 3 0 199.342 0.703 20 0 ACADRP CC[C@@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 647547538 375661367 /nfs/dbraw/zinc/66/13/67/375661367.db2.gz YKBHXCUECUSQLV-RKDXNWHRSA-N 2 0 171.288 0.065 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCNC1 647548149 375661371 /nfs/dbraw/zinc/66/13/71/375661371.db2.gz WRGMOZGPFFXWNH-NXEZZACHSA-N 2 0 185.315 0.455 20 0 ACADRP CC[C@H]([NH3+])CN[C@@H]1CCC[NH2+]C1 647547536 375661384 /nfs/dbraw/zinc/66/13/84/375661384.db2.gz YKBHXCUECUSQLV-DTWKUNHWSA-N 2 0 171.288 0.065 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCNC1 647548152 375661405 /nfs/dbraw/zinc/66/14/05/375661405.db2.gz WRGMOZGPFFXWNH-ZJUUUORDSA-N 2 0 185.315 0.455 20 0 ACADRP C(CN[C@@H]1CCC[NH2+]C1)C[NH2+]C1CC1 647547923 375661417 /nfs/dbraw/zinc/66/14/17/375661417.db2.gz LNLYQPWVDMUUME-LLVKDONJSA-N 2 0 197.326 0.470 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)[NH3+] 647547941 375661425 /nfs/dbraw/zinc/66/14/25/375661425.db2.gz MNLLSABZNYFUDM-MRVPVSSYSA-N 3 0 173.304 0.441 20 0 ACADRP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)[NH3+] 647547942 375661433 /nfs/dbraw/zinc/66/14/33/375661433.db2.gz MNLLSABZNYFUDM-QMMMGPOBSA-N 3 0 173.304 0.441 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)NC1CC[NH2+]CC1 647552394 375661878 /nfs/dbraw/zinc/66/18/78/375661878.db2.gz YPOABSBSFPDORP-DTWKUNHWSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[NH2+]CC1 647552060 375661887 /nfs/dbraw/zinc/66/18/87/375661887.db2.gz DEDXQJOSZVBECI-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)N[C@H]1CC[NH2+]C1 647552288 375661929 /nfs/dbraw/zinc/66/19/29/375661929.db2.gz PCEJOPWPMYDXLK-YIZRAAEISA-N 2 0 171.288 0.064 20 0 ACADRP C[NH2+]CCCN(C)C[C@@H]1CCC[NH2+]C1 647552156 375661937 /nfs/dbraw/zinc/66/19/37/375661937.db2.gz JDEYVBCECYKCCW-LLVKDONJSA-N 2 0 199.342 0.527 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 647552062 375661948 /nfs/dbraw/zinc/66/19/48/375661948.db2.gz DEDXQJOSZVBECI-HBNTYKKESA-N 2 0 199.342 0.844 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCCC[NH3+] 647552178 375661971 /nfs/dbraw/zinc/66/19/71/375661971.db2.gz KOCRWMLPGHPQLP-SFYZADRCSA-N 2 0 159.277 0.051 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)NCCC[NH3+] 647552177 375662017 /nfs/dbraw/zinc/66/20/17/375662017.db2.gz KOCRWMLPGHPQLP-JGVFFNPUSA-N 2 0 159.277 0.051 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 647552335 375662044 /nfs/dbraw/zinc/66/20/44/375662044.db2.gz SJCGHAILHPNHAD-VHSXEESVSA-N 3 0 199.342 0.701 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCC(C)(C)[NH3+] 647552339 375662060 /nfs/dbraw/zinc/66/20/60/375662060.db2.gz SKLNCJAHAJHNSW-SFYZADRCSA-N 2 0 173.304 0.439 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CC1CC[NH2+]CC1 647552336 375662089 /nfs/dbraw/zinc/66/20/89/375662089.db2.gz SJCGHAILHPNHAD-ZJUUUORDSA-N 3 0 199.342 0.701 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CC[NH2+]CC1 647552334 375662124 /nfs/dbraw/zinc/66/21/24/375662124.db2.gz SJCGHAILHPNHAD-UWVGGRQHSA-N 3 0 199.342 0.701 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cncn1C 647552091 375662271 /nfs/dbraw/zinc/66/22/71/375662271.db2.gz FMGNUHTUMNIADD-BDAKNGLRSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)[NH3+] 647552337 375662283 /nfs/dbraw/zinc/66/22/83/375662283.db2.gz SKLNCJAHAJHNSW-HTQZYQBOSA-N 2 0 173.304 0.439 20 0 ACADRP C[NH2+]CCC[N@H+](C)CC1CC[NH2+]CC1 647552307 375662313 /nfs/dbraw/zinc/66/23/13/375662313.db2.gz QHLZJWMWBDXIPK-UHFFFAOYSA-N 3 0 199.342 0.527 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CC[NH2+]CC1 647552333 375662407 /nfs/dbraw/zinc/66/24/07/375662407.db2.gz SJCGHAILHPNHAD-NXEZZACHSA-N 3 0 199.342 0.701 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C1CCC([NH3+])CC1 647552290 375662422 /nfs/dbraw/zinc/66/24/22/375662422.db2.gz PGUJKENJVBQIOB-MFQSTILNSA-N 3 0 199.342 0.972 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cncn1C 647552093 375662454 /nfs/dbraw/zinc/66/24/54/375662454.db2.gz FMGNUHTUMNIADD-IUCAKERBSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1cncn1C 647552092 375662499 /nfs/dbraw/zinc/66/24/99/375662499.db2.gz FMGNUHTUMNIADD-DTWKUNHWSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NCC(C)(C)[NH3+] 647552340 375662518 /nfs/dbraw/zinc/66/25/18/375662518.db2.gz SKLNCJAHAJHNSW-YUMQZZPRSA-N 2 0 173.304 0.439 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NC1CC[NH2+]CC1 647552393 375662631 /nfs/dbraw/zinc/66/26/31/375662631.db2.gz YPOABSBSFPDORP-BDAKNGLRSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[NH2+]C1 647552287 375662641 /nfs/dbraw/zinc/66/26/41/375662641.db2.gz PCEJOPWPMYDXLK-CIUDSAMLSA-N 2 0 171.288 0.064 20 0 ACADRP C[NH2+]CCCN(C)CC(C)(C)[NH3+] 647552401 375662760 /nfs/dbraw/zinc/66/27/60/375662760.db2.gz YSJUMWVMZZLZJN-UHFFFAOYSA-N 2 0 173.304 0.265 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 647552289 375662795 /nfs/dbraw/zinc/66/27/95/375662795.db2.gz PGUJKENJVBQIOB-IZUQBHJASA-N 3 0 199.342 0.972 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NC1CC[NH2+]CC1 647552396 375662806 /nfs/dbraw/zinc/66/28/06/375662806.db2.gz YPOABSBSFPDORP-RKDXNWHRSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)N[C@H]1CCC[NH2+]CC1 647552059 375662851 /nfs/dbraw/zinc/66/28/51/375662851.db2.gz DEDXQJOSZVBECI-AXFHLTTASA-N 2 0 199.342 0.844 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCC([NH3+])CC1 647552292 375662945 /nfs/dbraw/zinc/66/29/45/375662945.db2.gz PGUJKENJVBQIOB-SAAXCQNUSA-N 3 0 199.342 0.972 20 0 ACADRP C[NH2+]CCCN(C)C[C@H]1CCC[NH2+]C1 647552157 375662959 /nfs/dbraw/zinc/66/29/59/375662959.db2.gz JDEYVBCECYKCCW-NSHDSACASA-N 2 0 199.342 0.527 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NCCC[NH3+] 647552179 375662991 /nfs/dbraw/zinc/66/29/91/375662991.db2.gz KOCRWMLPGHPQLP-YUMQZZPRSA-N 2 0 159.277 0.051 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 647552291 375663019 /nfs/dbraw/zinc/66/30/19/375663019.db2.gz PGUJKENJVBQIOB-NKVNRFPTSA-N 3 0 199.342 0.972 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NC1CC[NH2+]CC1 647552395 375663049 /nfs/dbraw/zinc/66/30/49/375663049.db2.gz YPOABSBSFPDORP-IUCAKERBSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[NH2+]CC1 647552061 375663060 /nfs/dbraw/zinc/66/30/60/375663060.db2.gz DEDXQJOSZVBECI-GARJFASQSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NCCC[NH3+] 647552176 375663085 /nfs/dbraw/zinc/66/30/85/375663085.db2.gz KOCRWMLPGHPQLP-HTQZYQBOSA-N 2 0 159.277 0.051 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)N[C@H]1CCC[NH2+]C1 647552403 375663305 /nfs/dbraw/zinc/66/33/05/375663305.db2.gz YZXGNQWSZAUOKO-GUBZILKMSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccnn1C 647552786 375663325 /nfs/dbraw/zinc/66/33/25/375663325.db2.gz XAHFKNWHILQBOC-RKDXNWHRSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)N[C@H]1CCC[NH2+]C1 647552402 375663350 /nfs/dbraw/zinc/66/33/50/375663350.db2.gz YZXGNQWSZAUOKO-AEJSXWLSSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[NH2+]C1 647552405 375663359 /nfs/dbraw/zinc/66/33/59/375663359.db2.gz YZXGNQWSZAUOKO-LPEHRKFASA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccnn1C 647552785 375663407 /nfs/dbraw/zinc/66/34/07/375663407.db2.gz XAHFKNWHILQBOC-IUCAKERBSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1ccnn1C 647552783 375663460 /nfs/dbraw/zinc/66/34/60/375663460.db2.gz XAHFKNWHILQBOC-BDAKNGLRSA-N 2 0 196.298 0.636 20 0 ACADRP Cc1n[nH]cc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] 647552602 375663563 /nfs/dbraw/zinc/66/35/63/375663563.db2.gz KLPCXOQBPKKHSU-HTQZYQBOSA-N 2 0 196.298 0.934 20 0 ACADRP Cc1n[nH]cc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 647552604 375663699 /nfs/dbraw/zinc/66/36/99/375663699.db2.gz KLPCXOQBPKKHSU-SFYZADRCSA-N 2 0 196.298 0.934 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnn(C)c1 647552550 375663815 /nfs/dbraw/zinc/66/38/15/375663815.db2.gz GBOVECBNOGMIID-RKDXNWHRSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cnn(C)c1 647552547 375663838 /nfs/dbraw/zinc/66/38/38/375663838.db2.gz GBOVECBNOGMIID-BDAKNGLRSA-N 2 0 196.298 0.636 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CCC[NH2+]C1 647552404 375663910 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0.280 20 0 ACADRP C[NH2+]CCCN(C)C1(C[NH3+])CCC1 647985254 375681949 /nfs/dbraw/zinc/68/19/49/375681949.db2.gz HAMCQTYQTRDSSK-UHFFFAOYSA-N 2 0 185.315 0.409 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 647984604 375681959 /nfs/dbraw/zinc/68/19/59/375681959.db2.gz RHAGJKXSJWDDIQ-JTQLQIEISA-N 2 0 197.326 0.409 20 0 ACADRP C[NH2+]CCCN1CCC[C@H]2C[NH2+]C[C@H]21 647987656 375681964 /nfs/dbraw/zinc/68/19/64/375681964.db2.gz OMZLJLABLSUIJB-WDEREUQCSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@@H]([NH3+])CN[C@@H](C[NH3+])C(C)(C)C 647988118 375681968 /nfs/dbraw/zinc/68/19/68/375681968.db2.gz QHVIEMIXKBWJNQ-SFYZADRCSA-N 2 0 173.304 0.297 20 0 ACADRP C[C@H]([NH3+])CN(C)C1(C[NH3+])CCC1 647985304 375681974 /nfs/dbraw/zinc/68/19/74/375681974.db2.gz YNSWADNZSZDFAV-QMMMGPOBSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]2CC[NH2+][C@H]2C1 647987580 375681997 /nfs/dbraw/zinc/68/19/97/375681997.db2.gz GJUUWGACBKETJU-GUBZILKMSA-N 2 0 183.299 0.017 20 0 ACADRP C[NH2+]CCCN[C@H]1CC[NH2+]CC1(C)C 647988017 375682000 /nfs/dbraw/zinc/68/20/00/375682000.db2.gz GMUMCPCHUIGGRJ-JTQLQIEISA-N 2 0 199.342 0.574 20 0 ACADRP C[NH2+]CCCN[C@H]1[C@H](C)[NH2+]CC[C@H]1C 647988071 375682012 /nfs/dbraw/zinc/68/20/12/375682012.db2.gz LVBYVVNVTOWOMX-OUAUKWLOSA-N 2 0 199.342 0.572 20 0 ACADRP C[C@H]([NH3+])CN[C@@H](C[NH3+])C(C)(C)C 647988119 375682018 /nfs/dbraw/zinc/68/20/18/375682018.db2.gz QHVIEMIXKBWJNQ-YUMQZZPRSA-N 2 0 173.304 0.297 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H]2CC[NH2+][C@@H]2C1 647987582 375682030 /nfs/dbraw/zinc/68/20/30/375682030.db2.gz GJUUWGACBKETJU-LPEHRKFASA-N 2 0 183.299 0.017 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982670 375682046 /nfs/dbraw/zinc/68/20/46/375682046.db2.gz UXPUAKRWTKMUHN-IDKOKCKLSA-N 2 0 183.299 0.017 20 0 ACADRP C[C@@H]([NH3+])CN[C@H](C[NH3+])C(C)(C)C 647988116 375682061 /nfs/dbraw/zinc/68/20/61/375682061.db2.gz QHVIEMIXKBWJNQ-HTQZYQBOSA-N 2 0 173.304 0.297 20 0 ACADRP C[C@@H]([NH3+])CN1CCC[C@H]2C[NH2+]C[C@H]21 647987574 375682069 /nfs/dbraw/zinc/68/20/69/375682069.db2.gz DZWMSPSUZCWHFA-KXUCPTDWSA-N 2 0 183.299 0.017 20 0 ACADRP CN(C[C@@H]1CC[NH2+]C1)C1(C[NH3+])CCC1 647984605 375682083 /nfs/dbraw/zinc/68/20/83/375682083.db2.gz RHAGJKXSJWDDIQ-SNVBAGLBSA-N 2 0 197.326 0.409 20 0 ACADRP [NH3+]CCN[C@H](C[NH3+])C1CCCCC1 647987980 375682107 /nfs/dbraw/zinc/68/21/07/375682107.db2.gz BAIIIRFSWFTAEF-SNVBAGLBSA-N 2 0 185.315 0.442 20 0 ACADRP C[NH2+]CCCN1CC[C@H]2CC[NH2+][C@H]2C1 647987745 375682121 /nfs/dbraw/zinc/68/21/21/375682121.db2.gz WFCRSGYVVNXSIF-MNOVXSKESA-N 2 0 197.326 0.280 20 0 ACADRP CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CC[NH2+]C1 647988122 375682138 /nfs/dbraw/zinc/68/21/38/375682138.db2.gz RHECQDWBYUKIKZ-NXEZZACHSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC[NH2+]C1 647988123 375682176 /nfs/dbraw/zinc/68/21/76/375682176.db2.gz RHECQDWBYUKIKZ-UWVGGRQHSA-N 2 0 199.342 0.559 20 0 ACADRP C[C@H]1C[NH2+][C@H](C)CN1C[C@H]1CC[NH2+]C1 647987670 375682203 /nfs/dbraw/zinc/68/22/03/375682203.db2.gz PELDUZVQEFHFKQ-VWYCJHECSA-N 2 0 197.326 0.278 20 0 ACADRP C[NH2+]CCCN[C@H](C[NH3+])C(C)(C)C 647988082 375682211 /nfs/dbraw/zinc/68/22/11/375682211.db2.gz MNJZTUXMMVHRKN-SECBINFHSA-N 2 0 187.331 0.559 20 0 ACADRP C[NH2+]CCCN1CC[C@H]2CC[NH2+][C@@H]2C1 647987744 375682220 /nfs/dbraw/zinc/68/22/20/375682220.db2.gz WFCRSGYVVNXSIF-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H]2C[NH2+]C[C@H]21 647987575 375682227 /nfs/dbraw/zinc/68/22/27/375682227.db2.gz DZWMSPSUZCWHFA-LPEHRKFASA-N 2 0 183.299 0.017 20 0 ACADRP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@H](C)C[NH2+]1 647987668 375682240 /nfs/dbraw/zinc/68/22/40/375682240.db2.gz PELDUZVQEFHFKQ-MXWKQRLJSA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]([NH3+])CN(C)C1(C[NH3+])CCC1 647985303 375682283 /nfs/dbraw/zinc/68/22/83/375682283.db2.gz YNSWADNZSZDFAV-MRVPVSSYSA-N 2 0 171.288 0.147 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H]2CC[NH2+][C@@H]2C1 647987581 375682290 /nfs/dbraw/zinc/68/22/90/375682290.db2.gz GJUUWGACBKETJU-IVZWLZJFSA-N 2 0 183.299 0.017 20 0 ACADRP C[NH2+]CCCN(C)C1CC([NH3+])C1 647982634 375682328 /nfs/dbraw/zinc/68/23/28/375682328.db2.gz KXOJMCCYVUWATJ-UHFFFAOYSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+]CCCN[C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 647988070 375682352 /nfs/dbraw/zinc/68/23/52/375682352.db2.gz LVBYVVNVTOWOMX-HBNTYKKESA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]CCCN1CC[C@@H]2CC[NH2+][C@H]2C1 647987746 375682365 /nfs/dbraw/zinc/68/23/65/375682365.db2.gz WFCRSGYVVNXSIF-QWRGUYRKSA-N 2 0 197.326 0.280 20 0 ACADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982642 375682461 /nfs/dbraw/zinc/68/24/61/375682461.db2.gz MOJQJXNUJAMKOF-WHXUTIOJSA-N 3 0 197.326 0.408 20 0 ACADRP C[C@H]([NH3+])CN[C@H](C[NH3+])C(C)(C)C 647988117 375682497 /nfs/dbraw/zinc/68/24/97/375682497.db2.gz QHVIEMIXKBWJNQ-JGVFFNPUSA-N 2 0 173.304 0.297 20 0 ACADRP C[NH2+]CCCN[C@@H]1CC[NH2+]CC1(C)C 647988018 375682507 /nfs/dbraw/zinc/68/25/07/375682507.db2.gz GMUMCPCHUIGGRJ-SNVBAGLBSA-N 2 0 199.342 0.574 20 0 ACADRP CC[C@H](C)[C@H](C)[NH2+]CCOCC[NH3+] 647992254 375683211 /nfs/dbraw/zinc/68/32/11/375683211.db2.gz YBOATFPGQXQCJI-UWVGGRQHSA-N 2 0 188.315 0.986 20 0 ACADRP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@H]1CCCOC1 647992281 375683219 /nfs/dbraw/zinc/68/32/19/375683219.db2.gz ZXTTVOIRZPGPQY-GUBZILKMSA-N 2 0 186.299 0.738 20 0 ACADRP C[C@H]([NH3+])CN[C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 647988154 375683261 /nfs/dbraw/zinc/68/32/61/375683261.db2.gz VNSPEIOFBDFXKV-AXTSPUMRSA-N 2 0 185.315 0.310 20 0 ACADRP CC[N@@H+]1C[C@H](C)N(C[C@H](C)[NH3+])C[C@@H]1C 647989060 375683268 /nfs/dbraw/zinc/68/32/68/375683268.db2.gz CMQRLNRWRQWKTQ-DCAQKATOSA-N 2 0 199.342 0.748 20 0 ACADRP C[C@H]([NH3+])CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C 647988153 375683313 /nfs/dbraw/zinc/68/33/13/375683313.db2.gz VNSPEIOFBDFXKV-AATLWQCWSA-N 2 0 185.315 0.310 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C)[N@H+](C)C[C@@H]1C 647989131 375683360 /nfs/dbraw/zinc/68/33/60/375683360.db2.gz NGWCWXGVIYLVFY-GUBZILKMSA-N 2 0 185.315 0.358 20 0 ACADRP CC[C@@H](C)[C@H](C)[NH2+]CCOCC[NH3+] 647992256 375683435 /nfs/dbraw/zinc/68/34/35/375683435.db2.gz YBOATFPGQXQCJI-ZJUUUORDSA-N 2 0 188.315 0.986 20 0 ACADRP C[NH2+]CCCN1C[C@@H](C)[N@H+](C)C[C@@H]1C 647989096 375683505 /nfs/dbraw/zinc/68/35/05/375683505.db2.gz HNVFFQQFTLFLAF-MNOVXSKESA-N 2 0 199.342 0.620 20 0 ACADRP C[NH2+]CCC[NH2+][C@@H](C)Cn1cccn1 647991637 375683550 /nfs/dbraw/zinc/68/35/50/375683550.db2.gz VFCQGMBGHRHUGN-JTQLQIEISA-N 2 0 196.298 0.471 20 0 ACADRP C[C@H]([NH3+])CN[C@H](C[NH3+])C1CCCCC1 647988158 375683594 /nfs/dbraw/zinc/68/35/94/375683594.db2.gz WBUXVBKFVJTFFY-GXSJLCMTSA-N 2 0 199.342 0.831 20 0 ACADRP C[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1CCCOC1 647992282 375683609 /nfs/dbraw/zinc/68/36/09/375683609.db2.gz ZXTTVOIRZPGPQY-IVZWLZJFSA-N 2 0 186.299 0.738 20 0 ACADRP CC[N@@H+]1C[C@H](C)N(C[C@H](C)[NH3+])C[C@H]1C 647989059 375683619 /nfs/dbraw/zinc/68/36/19/375683619.db2.gz CMQRLNRWRQWKTQ-AXFHLTTASA-N 2 0 199.342 0.748 20 0 ACADRP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)[NH3+] 647991604 375683662 /nfs/dbraw/zinc/68/36/62/375683662.db2.gz RAHZRTVTPXDLFD-BDAKNGLRSA-N 2 0 182.271 0.208 20 0 ACADRP CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC[NH2+]C1 647988125 375683691 /nfs/dbraw/zinc/68/36/91/375683691.db2.gz RHECQDWBYUKIKZ-ZJUUUORDSA-N 2 0 199.342 0.559 20 0 ACADRP C[C@H]([NH3+])CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 647988155 375683707 /nfs/dbraw/zinc/68/37/07/375683707.db2.gz VNSPEIOFBDFXKV-UTINFBMNSA-N 2 0 185.315 0.310 20 0 ACADRP CC[C@@H](C)[C@@H](C)[NH2+]CCOCC[NH3+] 647992253 375683764 /nfs/dbraw/zinc/68/37/64/375683764.db2.gz YBOATFPGQXQCJI-NXEZZACHSA-N 2 0 188.315 0.986 20 0 ACADRP CC[C@H](C)[C@@H](C)[NH2+]CCOCC[NH3+] 647992255 375683768 /nfs/dbraw/zinc/68/37/68/375683768.db2.gz YBOATFPGQXQCJI-VHSXEESVSA-N 2 0 188.315 0.986 20 0 ACADRP CC[N@@H+]1C[C@H](C)N(C[C@@H](C)[NH3+])C[C@H]1C 647989061 375683776 /nfs/dbraw/zinc/68/37/76/375683776.db2.gz CMQRLNRWRQWKTQ-MXWKQRLJSA-N 2 0 199.342 0.748 20 0 ACADRP C[NH2+]CCC[NH2+][C@H](C)Cn1cccn1 647991638 375683815 /nfs/dbraw/zinc/68/38/15/375683815.db2.gz VFCQGMBGHRHUGN-SNVBAGLBSA-N 2 0 196.298 0.471 20 0 ACADRP C[NH2+]CCCN1C[C@@H](C)[N@H+](C)C[C@H]1C 647989095 375683892 /nfs/dbraw/zinc/68/38/92/375683892.db2.gz HNVFFQQFTLFLAF-GHMZBOCLSA-N 2 0 199.342 0.620 20 0 ACADRP C[NH2+]CCCN1C[C@H](C)[N@H+](C)C[C@@H]1C 647989097 375683925 /nfs/dbraw/zinc/68/39/25/375683925.db2.gz HNVFFQQFTLFLAF-QWRGUYRKSA-N 2 0 199.342 0.620 20 0 ACADRP CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CC[NH2+]C1 647988124 375683971 /nfs/dbraw/zinc/68/39/71/375683971.db2.gz RHECQDWBYUKIKZ-VHSXEESVSA-N 2 0 199.342 0.559 20 0 ACADRP C[C@H]([NH3+])CN[C@H]1[C@H](C)[NH2+]CC[C@H]1C 647988156 375683994 /nfs/dbraw/zinc/68/39/94/375683994.db2.gz VNSPEIOFBDFXKV-XFWSIPNHSA-N 2 0 185.315 0.310 20 0 ACADRP C[C@H]([NH3+])C[NH2+][C@@H](C)Cn1cccn1 647991606 375683997 /nfs/dbraw/zinc/68/39/97/375683997.db2.gz RAHZRTVTPXDLFD-IUCAKERBSA-N 2 0 182.271 0.208 20 0 ACADRP C[C@@H]([NH3+])CN[C@H](C[NH3+])C1CCCCC1 647988160 375684010 /nfs/dbraw/zinc/68/40/10/375684010.db2.gz WBUXVBKFVJTFFY-MWLCHTKSSA-N 2 0 199.342 0.831 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C)[N@H+](C)C[C@H]1C 647989133 375684054 /nfs/dbraw/zinc/68/40/54/375684054.db2.gz NGWCWXGVIYLVFY-LPEHRKFASA-N 2 0 185.315 0.358 20 0 ACADRP C[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CCCOC1 647992280 375684067 /nfs/dbraw/zinc/68/40/67/375684067.db2.gz ZXTTVOIRZPGPQY-AEJSXWLSSA-N 2 0 186.299 0.738 20 0 ACADRP C[C@@H]([NH3+])C[NH2+][C@H](C)Cn1cccn1 647991607 375684074 /nfs/dbraw/zinc/68/40/74/375684074.db2.gz RAHZRTVTPXDLFD-RKDXNWHRSA-N 2 0 182.271 0.208 20 0 ACADRP C[C@H]([NH3+])C[NH2+][C@H](C)Cn1cccn1 647991605 375684086 /nfs/dbraw/zinc/68/40/86/375684086.db2.gz RAHZRTVTPXDLFD-DTWKUNHWSA-N 2 0 182.271 0.208 20 0 ACADRP C[C@@H]([NH3+])CN[C@@H](C[NH3+])C1CCCCC1 647988159 375684100 /nfs/dbraw/zinc/68/41/00/375684100.db2.gz WBUXVBKFVJTFFY-KOLCDFICSA-N 2 0 199.342 0.831 20 0 ACADRP C[C@H]([NH3+])CN1C[C@@H](C)[N@H+](C)C[C@@H]1C 647989130 375684110 /nfs/dbraw/zinc/68/41/10/375684110.db2.gz NGWCWXGVIYLVFY-AEJSXWLSSA-N 2 0 185.315 0.358 20 0 ACADRP CC[N@@H+]1C[C@H](C)N(C[C@@H](C)[NH3+])C[C@@H]1C 647989062 375684139 /nfs/dbraw/zinc/68/41/39/375684139.db2.gz CMQRLNRWRQWKTQ-VWYCJHECSA-N 2 0 199.342 0.748 20 0 ACADRP C[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1CCCOC1 647992283 375684188 /nfs/dbraw/zinc/68/41/88/375684188.db2.gz ZXTTVOIRZPGPQY-LPEHRKFASA-N 2 0 186.299 0.738 20 0 ACADRP C[C@H]([NH3+])CN[C@@H](C[NH3+])C1CCCCC1 647988161 375684209 /nfs/dbraw/zinc/68/42/09/375684209.db2.gz WBUXVBKFVJTFFY-ONGXEEELSA-N 2 0 199.342 0.831 20 0 ACADRP C[NH2+]CCCN1C[C@H](C)[N@H+](C)C[C@H]1C 647989098 375684250 /nfs/dbraw/zinc/68/42/50/375684250.db2.gz HNVFFQQFTLFLAF-WDEREUQCSA-N 2 0 199.342 0.620 20 0 ACADRP C[C@H]([NH3+])CN1C[C@@H](C)[N@H+](C)C[C@H]1C 647989132 375684332 /nfs/dbraw/zinc/68/43/32/375684332.db2.gz NGWCWXGVIYLVFY-IVZWLZJFSA-N 2 0 185.315 0.358 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 647992849 375685017 /nfs/dbraw/zinc/68/50/17/375685017.db2.gz ADWHJZSULIVFSA-RCWTZXSCSA-N 2 0 199.342 0.639 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H](C)[C@@H](C[NH3+])C1 647992678 375684961 /nfs/dbraw/zinc/68/49/61/375684961.db2.gz ZICYRHPNYPPRCK-GUBZILKMSA-N 2 0 185.315 0.250 20 0 ACADRP CN(CC[NH3+])CCC1CC[NH2+]CC1 647992582 375684967 /nfs/dbraw/zinc/68/49/67/375684967.db2.gz QBVFMMTXNYTSDN-UHFFFAOYSA-N 2 0 185.315 0.267 20 0 ACADRP C[NH2+]CCCN(C)C[C@H]1CC[NH2+]C1 647992486 375684998 /nfs/dbraw/zinc/68/49/98/375684998.db2.gz FXOOYSVMBQWBMY-JTQLQIEISA-N 2 0 185.315 0.137 20 0 ACADRP C[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1[NH3+] 647995300 375685006 /nfs/dbraw/zinc/68/50/06/375685006.db2.gz MWTRZFNLQSPOEJ-DJLDLDEBSA-N 2 0 171.288 0.193 20 0 ACADRP C[NH2+]CCCN1CC[C@H](C)[C@H](C[NH3+])C1 647992491 375685029 /nfs/dbraw/zinc/68/50/29/375685029.db2.gz FXYHGJAPZZHQLN-WDEREUQCSA-N 2 0 199.342 0.513 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 647995259 375685045 /nfs/dbraw/zinc/68/50/45/375685045.db2.gz JQRYQVZZRMDQEX-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@H](C)[C@H](C[NH3+])C1 647992680 375685056 /nfs/dbraw/zinc/68/50/56/375685056.db2.gz ZICYRHPNYPPRCK-LPEHRKFASA-N 2 0 185.315 0.250 20 0 ACADRP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@@H]1CC[NH2+]C1 647997596 375685069 /nfs/dbraw/zinc/68/50/69/375685069.db2.gz RLLVLHZPPCEASP-MXWKQRLJSA-N 2 0 198.310 0.441 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H](C)[C@H](C[NH3+])C1 647992679 375685122 /nfs/dbraw/zinc/68/51/22/375685122.db2.gz ZICYRHPNYPPRCK-KXUCPTDWSA-N 2 0 185.315 0.250 20 0 ACADRP CN(CC[NH3+])CCCC1CC[NH2+]CC1 647992656 375685378 /nfs/dbraw/zinc/68/53/78/375685378.db2.gz XLDNGWULDMKNOX-UHFFFAOYSA-N 2 0 199.342 0.657 20 0 ACADRP C[C@@H]1CC[C@H](O)C[N@@H+]1C[C@H]1CC[NH2+]C1 647997598 375685401 /nfs/dbraw/zinc/68/54/01/375685401.db2.gz RLLVLHZPPCEASP-VWYCJHECSA-N 2 0 198.310 0.441 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 647992850 375685455 /nfs/dbraw/zinc/68/54/55/375685455.db2.gz ADWHJZSULIVFSA-YTWAJWBKSA-N 2 0 199.342 0.639 20 0 ACADRP C[NH2+]CCCN1CC[C@H](C)[C@@H](C[NH3+])C1 647992490 375685469 /nfs/dbraw/zinc/68/54/69/375685469.db2.gz FXYHGJAPZZHQLN-QWRGUYRKSA-N 2 0 199.342 0.513 20 0 ACADRP C[NH2+]CCCN[C@@H]1CCCC[C@H]1[NH3+] 647995223 375685487 /nfs/dbraw/zinc/68/54/87/375685487.db2.gz GTJJMXKEFZLFPG-NXEZZACHSA-N 2 0 185.315 0.455 20 0 ACADRP C[C@@H]([NH3+])CN[C@@H]1CCCC[C@H]1[NH3+] 647995301 375685498 /nfs/dbraw/zinc/68/54/98/375685498.db2.gz MWTRZFNLQSPOEJ-IWSPIJDZSA-N 2 0 171.288 0.193 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H](C)[C@@H](C[NH3+])C1 647992681 375685735 /nfs/dbraw/zinc/68/57/35/375685735.db2.gz ZICYRHPNYPPRCK-UTLUCORTSA-N 2 0 185.315 0.250 20 0 ACADRP C[NH2+]CCCN(C)C[C@@H]1CC[NH2+]C1 647992487 375685749 /nfs/dbraw/zinc/68/57/49/375685749.db2.gz FXOOYSVMBQWBMY-SNVBAGLBSA-N 2 0 185.315 0.137 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 647992848 375685781 /nfs/dbraw/zinc/68/57/81/375685781.db2.gz ADWHJZSULIVFSA-NAKRPEOUSA-N 2 0 199.342 0.639 20 0 ACADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CC[NH2+]C1 647997597 375685801 /nfs/dbraw/zinc/68/58/01/375685801.db2.gz RLLVLHZPPCEASP-OUAUKWLOSA-N 2 0 198.310 0.441 20 0 ACADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CC[NH2+]C1 647995386 375685812 /nfs/dbraw/zinc/68/58/12/375685812.db2.gz SQTKZHRLUHOJHS-HBNTYKKESA-N 2 0 197.326 0.455 20 0 ACADRP C[NH2+]CCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 647992489 375685880 /nfs/dbraw/zinc/68/58/80/375685880.db2.gz FXYHGJAPZZHQLN-MNOVXSKESA-N 2 0 199.342 0.513 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 647992847 375685907 /nfs/dbraw/zinc/68/59/07/375685907.db2.gz ADWHJZSULIVFSA-MMWGEVLESA-N 2 0 199.342 0.639 20 0 ACADRP [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CC[NH2+]C1 647995385 375685924 /nfs/dbraw/zinc/68/59/24/375685924.db2.gz SQTKZHRLUHOJHS-GMTAPVOTSA-N 2 0 197.326 0.455 20 0 ACADRP C[NH2+]CCCN1CC[C@@H](C)[C@H](C[NH3+])C1 647992488 375685935 /nfs/dbraw/zinc/68/59/35/375685935.db2.gz FXYHGJAPZZHQLN-GHMZBOCLSA-N 2 0 199.342 0.513 20 0 ACADRP C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CC[NH2+]C1 647997595 375685947 /nfs/dbraw/zinc/68/59/47/375685947.db2.gz RLLVLHZPPCEASP-GMTAPVOTSA-N 2 0 198.310 0.441 20 0 ACADRP C[C@@H]([NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 648147114 375697798 /nfs/dbraw/zinc/69/77/98/375697798.db2.gz PSSNJVAAQYLYGM-MRVPVSSYSA-N 2 0 199.298 0.064 20 0 ACADRP CC[C@H]([NH3+])CNC(=O)C1([NH3+])CCCC1 648145313 375697847 /nfs/dbraw/zinc/69/78/47/375697847.db2.gz BJAZIRDGJRXDEV-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP CN(C(=O)CCC[NH3+])C1(C[NH3+])CCC1 648147086 375697924 /nfs/dbraw/zinc/69/79/24/375697924.db2.gz MHWXMKBLPKLTGO-UHFFFAOYSA-N 2 0 199.298 0.065 20 0 ACADRP [NH3+]CC(=O)Nc1ccc2c(c1)C[NH2+]C2 648147025 375697944 /nfs/dbraw/zinc/69/79/44/375697944.db2.gz YKAAHDFZUHPPGY-UHFFFAOYSA-N 2 0 191.234 0.187 20 0 ACADRP C[NH2+]Cc1ccc(NC(=O)C[NH3+])cc1 648146261 375698184 /nfs/dbraw/zinc/69/81/84/375698184.db2.gz OOWDBJIMQDSANH-UHFFFAOYSA-N 2 0 193.250 0.303 20 0 ACADRP CC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 648147063 375698283 /nfs/dbraw/zinc/69/82/83/375698283.db2.gz FLYHCVSFXGEQAT-QMMMGPOBSA-N 2 0 199.298 0.064 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCC1 648147216 375698483 /nfs/dbraw/zinc/69/84/83/375698483.db2.gz FLYHCVSFXGEQAT-MRVPVSSYSA-N 2 0 199.298 0.064 20 0 ACADRP CC[C@@H]([NH3+])CNC(=O)C1([NH3+])CCCC1 648145312 375698642 /nfs/dbraw/zinc/69/86/42/375698642.db2.gz BJAZIRDGJRXDEV-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1([NH3+])CCC1 648190159 375702734 /nfs/dbraw/zinc/70/27/34/375702734.db2.gz CKWKPLHCFLNHHV-HTQZYQBOSA-N 2 0 199.298 0.110 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1([NH3+])CCC1 648190162 375702745 /nfs/dbraw/zinc/70/27/45/375702745.db2.gz CKWKPLHCFLNHHV-YUMQZZPRSA-N 2 0 199.298 0.110 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)NC(=O)C1([NH3+])CCC1 648190160 375702792 /nfs/dbraw/zinc/70/27/92/375702792.db2.gz CKWKPLHCFLNHHV-JGVFFNPUSA-N 2 0 199.298 0.110 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NC(=O)C1([NH3+])CCC1 648190161 375702807 /nfs/dbraw/zinc/70/28/07/375702807.db2.gz CKWKPLHCFLNHHV-SFYZADRCSA-N 2 0 199.298 0.110 20 0 ACADRP CCOCC[NH+]1CCC(C[NH3+])CC1 35359017 409315502 /nfs/dbraw/zinc/31/55/02/409315502.db2.gz PEXDHABSBFGJHW-UHFFFAOYSA-N 2 0 186.299 0.694 20 0 ACADRP CCOCCN1CCC[C@@H]1C[NH3+] 35359018 409316306 /nfs/dbraw/zinc/31/63/06/409316306.db2.gz YTCAIVZAJFGJCQ-SECBINFHSA-N 2 0 172.272 0.446 20 0 ACADRP CCOCC[N@@H+]1CC[C@H](C[NH3+])C1 36229805 409317639 /nfs/dbraw/zinc/31/76/39/409317639.db2.gz MWCVXNOXBFMKSP-SECBINFHSA-N 2 0 172.272 0.304 20 0 ACADRP CCOCC[N@@H+]1CC[C@@H](C[NH3+])C1 36229806 409317722 /nfs/dbraw/zinc/31/77/22/409317722.db2.gz MWCVXNOXBFMKSP-VIFPVBQESA-N 2 0 172.272 0.304 20 0 ACADRP CCOCC[N@H+](C)C1CC[NH2+]CC1 36300726 409318724 /nfs/dbraw/zinc/31/87/24/409318724.db2.gz GVHBJEZAPQIZRX-UHFFFAOYSA-N 2 0 186.299 0.707 20 0 ACADRP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH3+] 37172846 409323926 /nfs/dbraw/zinc/32/39/26/409323926.db2.gz XKGQCQICBMHYHW-RKDXNWHRSA-N 2 0 174.288 0.284 20 0 ACADRP CCCCC[N@H+](C)C[C@H](O)C[NH3+] 37165490 409324451 /nfs/dbraw/zinc/32/44/51/409324451.db2.gz CNMWYRBQXHSILF-SECBINFHSA-N 2 0 174.288 0.428 20 0 ACADRP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] 37109942 409326087 /nfs/dbraw/zinc/32/60/87/409326087.db2.gz GMCWGZMJOMIRJF-HTQZYQBOSA-N 2 0 160.261 0.036 20 0 ACADRP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] 37109943 409326460 /nfs/dbraw/zinc/32/64/60/409326460.db2.gz GMCWGZMJOMIRJF-JGVFFNPUSA-N 2 0 160.261 0.036 20 0 ACADRP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH3+] 37172847 409326699 /nfs/dbraw/zinc/32/66/99/409326699.db2.gz XKGQCQICBMHYHW-DTWKUNHWSA-N 2 0 174.288 0.284 20 0 ACADRP CCCCC[N@H+](C)C[C@@H](O)C[NH3+] 37165492 409326872 /nfs/dbraw/zinc/32/68/72/409326872.db2.gz CNMWYRBQXHSILF-VIFPVBQESA-N 2 0 174.288 0.428 20 0 ACADRP CC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 37482571 409331220 /nfs/dbraw/zinc/33/12/20/409331220.db2.gz UROJFAYLRZZOJV-NSHDSACASA-N 2 0 199.342 0.622 20 0 ACADRP CCC[N@H+](CC)CCN1CC[NH2+]CC1 37482565 409331338 /nfs/dbraw/zinc/33/13/38/409331338.db2.gz LIZLNTPFYITFEY-UHFFFAOYSA-N 2 0 199.342 0.624 20 0 ACADRP CC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 37482570 409331730 /nfs/dbraw/zinc/33/17/30/409331730.db2.gz UROJFAYLRZZOJV-LLVKDONJSA-N 2 0 199.342 0.622 20 0 ACADRP CCC[N@H+](C)CCN1CC[NH2+]CC1 37482568 409331741 /nfs/dbraw/zinc/33/17/41/409331741.db2.gz RDZHIVROYBPNIK-UHFFFAOYSA-N 2 0 185.315 0.233 20 0 ACADRP CC(C)[N@H+](C)CCN1CC[NH2+]CC1 37482549 409331882 /nfs/dbraw/zinc/33/18/82/409331882.db2.gz NSRCVKQKPYOTNP-UHFFFAOYSA-N 2 0 185.315 0.232 20 0 ACADRP CC(C)C[N@H+](C)CCN1CC[NH2+]CC1 37482569 409331925 /nfs/dbraw/zinc/33/19/25/409331925.db2.gz LHXRUNXCLBCWFO-UHFFFAOYSA-N 2 0 199.342 0.479 20 0 ACADRP CCCC[N@H+](C)CCN1CC[NH2+]CC1 37482546 409332152 /nfs/dbraw/zinc/33/21/52/409332152.db2.gz DHDIZMPUEMSHGJ-UHFFFAOYSA-N 2 0 199.342 0.624 20 0 ACADRP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 37904447 409339251 /nfs/dbraw/zinc/33/92/51/409339251.db2.gz PUKMAMRNQHRGSQ-ZJUUUORDSA-N 2 0 198.310 0.441 20 0 ACADRP C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 37904449 409339978 /nfs/dbraw/zinc/33/99/78/409339978.db2.gz PUKMAMRNQHRGSQ-NXEZZACHSA-N 2 0 198.310 0.441 20 0 ACADRP C[N@H+](CCN1CC[NH2+]CC1)CC1CC1 37925761 409340003 /nfs/dbraw/zinc/34/00/03/409340003.db2.gz HWHXGNGLSVNKNL-UHFFFAOYSA-N 2 0 197.326 0.233 20 0 ACADRP C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 37904446 409340098 /nfs/dbraw/zinc/34/00/98/409340098.db2.gz PUKMAMRNQHRGSQ-UWVGGRQHSA-N 2 0 198.310 0.441 20 0 ACADRP C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 37904448 409340888 /nfs/dbraw/zinc/34/08/88/409340888.db2.gz PUKMAMRNQHRGSQ-VHSXEESVSA-N 2 0 198.310 0.441 20 0 ACADRP C1CO[C@@H](C[NH2+]CC2CC[NH2+]CC2)C1 40410160 409342829 /nfs/dbraw/zinc/34/28/29/409342829.db2.gz POVTWYVYYSDFCO-LLVKDONJSA-N 2 0 198.310 0.755 20 0 ACADRP CC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 40408219 409343432 /nfs/dbraw/zinc/34/34/32/409343432.db2.gz VHAQAPGLLKYUKL-SNVBAGLBSA-N 2 0 185.315 0.280 20 0 ACADRP CC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 40408223 409343726 /nfs/dbraw/zinc/34/37/26/409343726.db2.gz VHAQAPGLLKYUKL-JTQLQIEISA-N 2 0 185.315 0.280 20 0 ACADRP C[N@H+](CCC[NH3+])C[C@H]1CCOC1 41045960 409346790 /nfs/dbraw/zinc/34/67/90/409346790.db2.gz QDGIKCCAGDTCMV-SECBINFHSA-N 2 0 172.272 0.304 20 0 ACADRP C[N@H+](CCC[NH3+])C[C@@H]1CCOC1 41045959 409346860 /nfs/dbraw/zinc/34/68/60/409346860.db2.gz QDGIKCCAGDTCMV-VIFPVBQESA-N 2 0 172.272 0.304 20 0 ACADRP C[C@H]([NH3+])CN1CC[NH+](CC2CC2)CC1 42317778 409350203 /nfs/dbraw/zinc/35/02/03/409350203.db2.gz WCRCYOYEZQESAQ-JTQLQIEISA-N 2 0 197.326 0.361 20 0 ACADRP CCC[N@H+](CC)C[C@@](C)(O)C[NH2+]C 652336913 409351805 /nfs/dbraw/zinc/35/18/05/409351805.db2.gz OFZPCYBVCHZTAA-JTQLQIEISA-N 2 0 188.315 0.689 20 0 ACADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C)C1 652337446 409351832 /nfs/dbraw/zinc/35/18/32/409351832.db2.gz MJILGSZZAFPGIW-ZJUUUORDSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@@H]1CCCN(CC[NH3+])[C@@H]1CC[NH3+] 652356152 409351855 /nfs/dbraw/zinc/35/18/55/409351855.db2.gz 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HQUQKYCHEJHYJO-SECBINFHSA-N 2 0 172.272 0.053 20 0 ACADRP OCC1([NH2+]C[C@@H]2CC[NH2+]C2)CCCC1 652344306 409352929 /nfs/dbraw/zinc/35/29/29/409352929.db2.gz KOXHSFIHTHMYHL-SNVBAGLBSA-N 2 0 198.310 0.491 20 0 ACADRP CCCC[N@H+](C)C[C@](C)(O)C[NH2+]C 652335996 409352970 /nfs/dbraw/zinc/35/29/70/409352970.db2.gz XJCYIVDWGAWQOP-SNVBAGLBSA-N 2 0 188.315 0.689 20 0 ACADRP C[C@H]([NH3+])CN1CCC[C@H](C)[C@H]1CC[NH3+] 652356104 409353050 /nfs/dbraw/zinc/35/30/50/409353050.db2.gz SAZBPGQPMIFSOJ-GARJFASQSA-N 2 0 199.342 0.783 20 0 ACADRP C[NH2+]C[C@](C)(O)C[NH+]1CCCC1 652335803 409353135 /nfs/dbraw/zinc/35/31/35/409353135.db2.gz HQUQKYCHEJHYJO-VIFPVBQESA-N 2 0 172.272 0.053 20 0 ACADRP CCC[N@H+](CC)C[C@](C)(O)C[NH2+]C 652336914 409353213 /nfs/dbraw/zinc/35/32/13/409353213.db2.gz OFZPCYBVCHZTAA-SNVBAGLBSA-N 2 0 188.315 0.689 20 0 ACADRP CCCC[N@H+](C)C[C@@](C)(O)C[NH2+]C 652335995 409353411 /nfs/dbraw/zinc/35/34/11/409353411.db2.gz XJCYIVDWGAWQOP-JTQLQIEISA-N 2 0 188.315 0.689 20 0 ACADRP 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0 198.310 0.761 20 0 ACADRP C[C@@H](C[NH+](C)C)N[C@H]1CCC[C@H]([NH3+])C1 130335138 409483686 /nfs/dbraw/zinc/48/36/86/409483686.db2.gz QWCFOSQJSLCEEW-DCAQKATOSA-N 2 0 199.342 0.796 20 0 ACADRP C[NH2+]CCC[N@H+](C)CCCCOC 131068165 409484010 /nfs/dbraw/zinc/48/40/10/409484010.db2.gz NMMIWDWSJXJZPV-UHFFFAOYSA-N 2 0 188.315 0.954 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 131114714 409484606 /nfs/dbraw/zinc/48/46/06/409484606.db2.gz RIIFZMWQJMINCN-ZJUUUORDSA-N 2 0 198.310 0.761 20 0 ACADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 131114070 409484707 /nfs/dbraw/zinc/48/47/07/409484707.db2.gz RIIFZMWQJMINCN-VHSXEESVSA-N 2 0 198.310 0.761 20 0 ACADRP C[C@H](CCO)[NH2+][C@H]1CCC[C@H]([NH3+])C1 132419588 409489116 /nfs/dbraw/zinc/48/91/16/409489116.db2.gz SLXOGKSCUFXXLY-UTLUCORTSA-N 2 0 186.299 0.617 20 0 ACADRP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 132419203 409489252 /nfs/dbraw/zinc/48/92/52/409489252.db2.gz SLXOGKSCUFXXLY-KXUCPTDWSA-N 2 0 186.299 0.617 20 0 ACADRP COCC[C@@H](C)[N@H+](C)CCC[NH3+] 133210085 409494315 /nfs/dbraw/zinc/49/43/15/409494315.db2.gz UFPKXPAJRVXTTB-SECBINFHSA-N 2 0 174.288 0.692 20 0 ACADRP COCC[C@H](C)[N@H+](C)CCC[NH3+] 133209878 409494603 /nfs/dbraw/zinc/49/46/03/409494603.db2.gz UFPKXPAJRVXTTB-VIFPVBQESA-N 2 0 174.288 0.692 20 0 ACADRP CC[NH+]1CCC([NH2+]C/C=C\CO)CC1 658133116 409508369 /nfs/dbraw/zinc/50/83/69/409508369.db2.gz PHNOLIRBNZIMJW-ARJAWSKDSA-N 2 0 198.310 0.609 20 0 ACADRP CC[NH+]1CCC([NH2+]C/C=C/CO)CC1 658133117 409508802 /nfs/dbraw/zinc/50/88/02/409508802.db2.gz PHNOLIRBNZIMJW-ONEGZZNKSA-N 2 0 198.310 0.609 20 0 ACADRP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 218405507 409514894 /nfs/dbraw/zinc/51/48/94/409514894.db2.gz GTNRINPZPQLIAD-QWRGUYRKSA-N 2 0 198.310 0.836 20 0 ACADRP COCC[NH+]1CCC(C)([NH3+])CC1 218873908 409514980 /nfs/dbraw/zinc/51/49/80/409514980.db2.gz VMIAUQPQOHHGBM-UHFFFAOYSA-N 2 0 172.272 0.446 20 0 ACADRP CCOCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 219808463 409516232 /nfs/dbraw/zinc/51/62/32/409516232.db2.gz ZJXJPOLUQGYDKQ-UWVGGRQHSA-N 2 0 186.299 0.692 20 0 ACADRP CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 219372427 409516546 /nfs/dbraw/zinc/51/65/46/409516546.db2.gz BUKJRELAJJUGLN-BBBLOLIVSA-N 2 0 186.299 0.617 20 0 ACADRP COCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219796421 409517433 /nfs/dbraw/zinc/51/74/33/409517433.db2.gz WVOMXEWCLHOOQY-VHSXEESVSA-N 2 0 186.299 0.692 20 0 ACADRP CCOCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219808402 409517566 /nfs/dbraw/zinc/51/75/66/409517566.db2.gz ZJXJPOLUQGYDKQ-VHSXEESVSA-N 2 0 186.299 0.692 20 0 ACADRP CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 219372346 409517870 /nfs/dbraw/zinc/51/78/70/409517870.db2.gz BUKJRELAJJUGLN-OPRDCNLKSA-N 2 0 186.299 0.617 20 0 ACADRP [NH3+]C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 300363716 409531884 /nfs/dbraw/zinc/53/18/84/409531884.db2.gz XLUKKMBTOBMKAR-QWRGUYRKSA-N 2 0 198.310 0.694 20 0 ACADRP COC[C@H](C)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049265 409533366 /nfs/dbraw/zinc/53/33/66/409533366.db2.gz RBQPWJKQSOOPDO-OPRDCNLKSA-N 2 0 186.299 0.548 20 0 ACADRP [NH3+]C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 300363717 409533638 /nfs/dbraw/zinc/53/36/38/409533638.db2.gz XLUKKMBTOBMKAR-WDEREUQCSA-N 2 0 198.310 0.694 20 0 ACADRP CC(C)[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 300922813 409540239 /nfs/dbraw/zinc/54/02/39/409540239.db2.gz UQMAYHNWUFYREF-AXFHLTTASA-N 2 0 198.310 0.155 20 0 ACADRP CC(C)[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 300922821 409540365 /nfs/dbraw/zinc/54/03/65/409540365.db2.gz UQMAYHNWUFYREF-OUAUKWLOSA-N 2 0 198.310 0.155 20 0 ACADRP CC(C)[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 300922816 409540790 /nfs/dbraw/zinc/54/07/90/409540790.db2.gz UQMAYHNWUFYREF-GARJFASQSA-N 2 0 198.310 0.155 20 0 ACADRP CC(C)[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 300922818 409541246 /nfs/dbraw/zinc/54/12/46/409541246.db2.gz UQMAYHNWUFYREF-GMTAPVOTSA-N 2 0 198.310 0.155 20 0 ACADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] 306185996 409544625 /nfs/dbraw/zinc/54/46/25/409544625.db2.gz BAZKVTULMMTRGM-IWSPIJDZSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] 306185995 409545919 /nfs/dbraw/zinc/54/59/19/409545919.db2.gz BAZKVTULMMTRGM-HLTSFMKQSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](C)[NH3+] 306185994 409546233 /nfs/dbraw/zinc/54/62/33/409546233.db2.gz BAZKVTULMMTRGM-DJLDLDEBSA-N 2 0 199.298 0.062 20 0 ACADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](C)[NH3+] 306185997 409546256 /nfs/dbraw/zinc/54/62/56/409546256.db2.gz BAZKVTULMMTRGM-YIZRAAEISA-N 2 0 199.298 0.062 20 0 ACADRP C[NH2+]Cc1cccc(NC(=O)C[NH3+])c1 306284705 409550694 /nfs/dbraw/zinc/55/06/94/409550694.db2.gz JPYKNLTZKHVLIW-UHFFFAOYSA-N 2 0 193.250 0.303 20 0 ACADRP C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 306316984 409558091 /nfs/dbraw/zinc/55/80/91/409558091.db2.gz HLHCOAXJKJYQPG-IWSPIJDZSA-N 2 0 199.298 0.110 20 0 ACADRP CC(C)[C@@H](C)[NH2+]C[C@H](C)[NH3+] 306315247 409558104 /nfs/dbraw/zinc/55/81/04/409558104.db2.gz FVESMVLQJKZNQS-JGVFFNPUSA-N 2 0 144.262 0.968 20 0 ACADRP CC(C)[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 306315243 409558581 /nfs/dbraw/zinc/55/85/81/409558581.db2.gz FVESMVLQJKZNQS-HTQZYQBOSA-N 2 0 144.262 0.968 20 0 ACADRP CC(C)[C@H](C)[NH2+]C[C@H](C)[NH3+] 306315254 409558634 /nfs/dbraw/zinc/55/86/34/409558634.db2.gz FVESMVLQJKZNQS-YUMQZZPRSA-N 2 0 144.262 0.968 20 0 ACADRP CC(C)[C@H](C)[NH2+]C[C@@H](C)[NH3+] 306315250 409558647 /nfs/dbraw/zinc/55/86/47/409558647.db2.gz FVESMVLQJKZNQS-SFYZADRCSA-N 2 0 144.262 0.968 20 0 ACADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCOC1 306398693 409565453 /nfs/dbraw/zinc/56/54/53/409565453.db2.gz JQIZKYQAYTVTCE-GMTAPVOTSA-N 2 0 198.310 0.882 20 0 ACADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1 306398694 409565769 /nfs/dbraw/zinc/56/57/69/409565769.db2.gz JQIZKYQAYTVTCE-HBNTYKKESA-N 2 0 198.310 0.882 20 0 ACADRP CN(CC(C)(C)[NH3+])[C@@H]1CC[NH2+]C1 306424240 409567348 /nfs/dbraw/zinc/56/73/48/409567348.db2.gz GANMRQGZUZPQJI-MRVPVSSYSA-N 2 0 171.288 0.017 20 0 ACADRP CN(CC(C)(C)[NH3+])[C@H]1CC[NH2+]C1 306424241 409567861 /nfs/dbraw/zinc/56/78/61/409567861.db2.gz GANMRQGZUZPQJI-QMMMGPOBSA-N 2 0 171.288 0.017 20 0 ACADRP [NH3+]CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 306512172 409573505 /nfs/dbraw/zinc/57/35/05/409573505.db2.gz OZUBVHQYMITTKB-UWVGGRQHSA-N 2 0 183.299 0.006 20 0 ACADRP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[C@@H]1[NH3+] 306510605 409573555 /nfs/dbraw/zinc/57/35/55/409573555.db2.gz LEYDYAROSGODGH-BBBLOLIVSA-N 2 0 185.315 0.393 20 0 ACADRP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[C@H]1[NH3+] 306510606 409573628 /nfs/dbraw/zinc/57/36/28/409573628.db2.gz LEYDYAROSGODGH-IVZWLZJFSA-N 2 0 185.315 0.393 20 0 ACADRP CC[C@@H]1CN(C[C@@H](C)[NH3+])CC[C@H]1[NH3+] 306510607 409573715 /nfs/dbraw/zinc/57/37/15/409573715.db2.gz LEYDYAROSGODGH-OPRDCNLKSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@]1(C[N@@H+]2CC[C@@H](CO)C2)CC[NH2+]C1 306510393 409573800 /nfs/dbraw/zinc/57/38/00/409573800.db2.gz KYVAIGYUUUYQKE-GHMZBOCLSA-N 2 0 198.310 0.300 20 0 ACADRP CC[C@@H]1CN(C[C@H](C)[NH3+])CC[C@@H]1[NH3+] 306510604 409573830 /nfs/dbraw/zinc/57/38/30/409573830.db2.gz LEYDYAROSGODGH-AEJSXWLSSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@H]([NH3+])CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 306689148 409582709 /nfs/dbraw/zinc/58/27/09/409582709.db2.gz KKKFFKINPAMHRY-XWLWVQCSSA-N 2 0 197.326 0.393 20 0 ACADRP C[C@H]([NH3+])CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 306689146 409582797 /nfs/dbraw/zinc/58/27/97/409582797.db2.gz KKKFFKINPAMHRY-NAKRPEOUSA-N 2 0 197.326 0.393 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 306689145 409583629 /nfs/dbraw/zinc/58/36/29/409583629.db2.gz KKKFFKINPAMHRY-MMWGEVLESA-N 2 0 197.326 0.393 20 0 ACADRP C[C@H]([NH3+])CN1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 306689147 409584060 /nfs/dbraw/zinc/58/40/60/409584060.db2.gz KKKFFKINPAMHRY-UKKRHICBSA-N 2 0 197.326 0.393 20 0 ACADRP C[C@H]1CCCN(CC[NH3+])[C@@H]1C[NH3+] 306764298 409589383 /nfs/dbraw/zinc/58/93/83/409589383.db2.gz VJCDEJFUPUAFAT-DTWKUNHWSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]1CCCN(CC[NH3+])[C@@H]1C[NH3+] 306764303 409589967 /nfs/dbraw/zinc/58/99/67/409589967.db2.gz VJCDEJFUPUAFAT-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@@H]1CCCN(CC[NH3+])[C@H]1C[NH3+] 306764295 409591101 /nfs/dbraw/zinc/59/11/01/409591101.db2.gz VJCDEJFUPUAFAT-BDAKNGLRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@H]1CCCN(CC[NH3+])[C@H]1C[NH3+] 306764300 409591250 /nfs/dbraw/zinc/59/12/50/409591250.db2.gz VJCDEJFUPUAFAT-IUCAKERBSA-N 2 0 171.288 0.004 20 0 ACADRP FCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 306858558 409598934 /nfs/dbraw/zinc/59/89/34/409598934.db2.gz CKZHZPFRKDWZRD-IVZWLZJFSA-N 2 0 186.274 0.934 20 0 ACADRP FCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 306858560 409599012 /nfs/dbraw/zinc/59/90/12/409599012.db2.gz CKZHZPFRKDWZRD-LPEHRKFASA-N 2 0 186.274 0.934 20 0 ACADRP FCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306858559 409599380 /nfs/dbraw/zinc/59/93/80/409599380.db2.gz CKZHZPFRKDWZRD-KXUCPTDWSA-N 2 0 186.274 0.934 20 0 ACADRP FCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 306858561 409599407 /nfs/dbraw/zinc/59/94/07/409599407.db2.gz CKZHZPFRKDWZRD-OPRDCNLKSA-N 2 0 186.274 0.934 20 0 ACADRP C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307003590 409609884 /nfs/dbraw/zinc/60/98/84/409609884.db2.gz DMAOUGOCSDLQRU-ZRUFSTJUSA-N 2 0 198.310 0.345 20 0 ACADRP C[NH2+][C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 307082768 409611885 /nfs/dbraw/zinc/61/18/85/409611885.db2.gz JYXXRYMKVLWENF-QWRGUYRKSA-N 2 0 197.326 0.280 20 0 ACADRP CC1(C)C[NH2+]CCN1C[C@H]1CC[NH2+]C1 307060108 409612119 /nfs/dbraw/zinc/61/21/19/409612119.db2.gz CXWHTSDSVBDBFG-JTQLQIEISA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 307082771 409612347 /nfs/dbraw/zinc/61/23/47/409612347.db2.gz JYXXRYMKVLWENF-WDEREUQCSA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 307082765 409612355 /nfs/dbraw/zinc/61/23/55/409612355.db2.gz JYXXRYMKVLWENF-MNOVXSKESA-N 2 0 197.326 0.280 20 0 ACADRP CC1(C)C[NH2+]CCN1C[C@@H]1CC[NH2+]C1 307060109 409613396 /nfs/dbraw/zinc/61/33/96/409613396.db2.gz CXWHTSDSVBDBFG-SNVBAGLBSA-N 2 0 197.326 0.280 20 0 ACADRP C[NH2+][C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 307082763 409613871 /nfs/dbraw/zinc/61/38/71/409613871.db2.gz JYXXRYMKVLWENF-GHMZBOCLSA-N 2 0 197.326 0.280 20 0 ACADRP CC1([NH3+])CCN(C[C@@H]2CC[NH2+]C2)CC1 307100774 409617870 /nfs/dbraw/zinc/61/78/70/409617870.db2.gz TYGDSSCTXMASAS-SNVBAGLBSA-N 2 0 197.326 0.409 20 0 ACADRP CC1([NH3+])CCN(C[C@H]2CC[NH2+]C2)CC1 307100773 409617971 /nfs/dbraw/zinc/61/79/71/409617971.db2.gz TYGDSSCTXMASAS-JTQLQIEISA-N 2 0 197.326 0.409 20 0 ACADRP NCc1noc(C2(C[NH3+])CCCC2)n1 307137386 409619514 /nfs/dbraw/zinc/61/95/14/409619514.db2.gz XBKMDBMFHXJSTB-UHFFFAOYSA-N 2 0 196.254 0.299 20 0 ACADRP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H]1[NH3+] 307138409 409619747 /nfs/dbraw/zinc/61/97/47/409619747.db2.gz ZPMJAZTURKFPTM-OUAUKWLOSA-N 3 0 197.326 0.265 20 0 ACADRP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H]1[NH3+] 307138407 409620252 /nfs/dbraw/zinc/62/02/52/409620252.db2.gz ZPMJAZTURKFPTM-GMTAPVOTSA-N 3 0 197.326 0.265 20 0 ACADRP CC(C)([NH3+])CN1CC[C@H]2CC[NH2+][C@@H]2C1 307153626 409620420 /nfs/dbraw/zinc/62/04/20/409620420.db2.gz UIFLWHZTIDUGSO-NXEZZACHSA-N 2 0 197.326 0.408 20 0 ACADRP CC(C)([NH3+])CN1CC[C@@H]2CC[NH2+][C@H]2C1 307153635 409620876 /nfs/dbraw/zinc/62/08/76/409620876.db2.gz UIFLWHZTIDUGSO-UWVGGRQHSA-N 2 0 197.326 0.408 20 0 ACADRP CC(C)([NH3+])CN1CC[C@@H]2CC[NH2+][C@@H]2C1 307153639 409621349 /nfs/dbraw/zinc/62/13/49/409621349.db2.gz UIFLWHZTIDUGSO-VHSXEESVSA-N 2 0 197.326 0.408 20 0 ACADRP CC(C)([NH3+])CN1CC[C@H]2CC[NH2+][C@H]2C1 307153646 409622436 /nfs/dbraw/zinc/62/24/36/409622436.db2.gz UIFLWHZTIDUGSO-ZJUUUORDSA-N 2 0 197.326 0.408 20 0 ACADRP [NH3+]C[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 307203749 409626895 /nfs/dbraw/zinc/62/68/95/409626895.db2.gz HKQAHDOBDLHHNZ-MNOVXSKESA-N 2 0 197.326 0.409 20 0 ACADRP C[C@]1(C[NH3+])CCN(C[C@@H]2CC[NH2+]C2)C1 307196547 409627031 /nfs/dbraw/zinc/62/70/31/409627031.db2.gz UDEAKGPBZFSNHO-GHMZBOCLSA-N 2 0 197.326 0.267 20 0 ACADRP [NH3+]C[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 307203748 409627048 /nfs/dbraw/zinc/62/70/48/409627048.db2.gz HKQAHDOBDLHHNZ-GHMZBOCLSA-N 2 0 197.326 0.409 20 0 ACADRP C[C@@]1(C[NH3+])CCN(C[C@@H]2CC[NH2+]C2)C1 307196548 409627052 /nfs/dbraw/zinc/62/70/52/409627052.db2.gz UDEAKGPBZFSNHO-MNOVXSKESA-N 2 0 197.326 0.267 20 0 ACADRP [NH3+]C[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 307203751 409627123 /nfs/dbraw/zinc/62/71/23/409627123.db2.gz HKQAHDOBDLHHNZ-WDEREUQCSA-N 2 0 197.326 0.409 20 0 ACADRP C[C@]1(C[NH3+])CCN(C[C@H]2CC[NH2+]C2)C1 307196550 409627162 /nfs/dbraw/zinc/62/71/62/409627162.db2.gz UDEAKGPBZFSNHO-WDEREUQCSA-N 2 0 197.326 0.267 20 0 ACADRP C[C@@]1(C[NH3+])CCN(C[C@H]2CC[NH2+]C2)C1 307196549 409627188 /nfs/dbraw/zinc/62/71/88/409627188.db2.gz UDEAKGPBZFSNHO-QWRGUYRKSA-N 2 0 197.326 0.267 20 0 ACADRP [NH3+]C[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 307203750 409627229 /nfs/dbraw/zinc/62/72/29/409627229.db2.gz HKQAHDOBDLHHNZ-QWRGUYRKSA-N 2 0 197.326 0.409 20 0 ACADRP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[C@H]1[NH3+] 307258001 409629729 /nfs/dbraw/zinc/62/97/29/409629729.db2.gz BTGUWWKZQTYURJ-NXEZZACHSA-N 2 0 199.342 0.783 20 0 ACADRP CC[C@H]1CN(CC(C)(C)[NH3+])CC[C@H]1[NH3+] 307258024 409629996 /nfs/dbraw/zinc/62/99/96/409629996.db2.gz BTGUWWKZQTYURJ-VHSXEESVSA-N 2 0 199.342 0.783 20 0 ACADRP CC[C@H]1CN(CC(C)(C)[NH3+])CC[C@@H]1[NH3+] 307258013 409630231 /nfs/dbraw/zinc/63/02/31/409630231.db2.gz BTGUWWKZQTYURJ-UWVGGRQHSA-N 2 0 199.342 0.783 20 0 ACADRP CC[C@@H]1CN(CC(C)(C)[NH3+])CC[C@@H]1[NH3+] 307258035 409630583 /nfs/dbraw/zinc/63/05/83/409630583.db2.gz BTGUWWKZQTYURJ-ZJUUUORDSA-N 2 0 199.342 0.783 20 0 ACADRP COC[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 307281065 409632100 /nfs/dbraw/zinc/63/21/00/409632100.db2.gz GTQWBLCGXBAERG-SECBINFHSA-N 2 0 186.299 0.835 20 0 ACADRP COC[C@H](C)[NH+]1CCC(C)([NH3+])CC1 307281070 409632251 /nfs/dbraw/zinc/63/22/51/409632251.db2.gz GTQWBLCGXBAERG-VIFPVBQESA-N 2 0 186.299 0.835 20 0 ACADRP CN(CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 307365873 409637975 /nfs/dbraw/zinc/63/79/75/409637975.db2.gz KFZNIVNSHUJSJH-NSHDSACASA-N 2 0 197.326 0.280 20 0 ACADRP CN(CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 307365872 409639028 /nfs/dbraw/zinc/63/90/28/409639028.db2.gz KFZNIVNSHUJSJH-LLVKDONJSA-N 2 0 197.326 0.280 20 0 ACADRP C[C@H]1CN(C[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 307395321 409640741 /nfs/dbraw/zinc/64/07/41/409640741.db2.gz NKWHALYUTIOGHR-AXFHLTTASA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 307395322 409641618 /nfs/dbraw/zinc/64/16/18/409641618.db2.gz NKWHALYUTIOGHR-GMTAPVOTSA-N 2 0 197.326 0.278 20 0 ACADRP C[C@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 307395324 409641676 /nfs/dbraw/zinc/64/16/76/409641676.db2.gz NKWHALYUTIOGHR-OUAUKWLOSA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@@H](C)[NH2+]1 307395323 409642115 /nfs/dbraw/zinc/64/21/15/409642115.db2.gz NKWHALYUTIOGHR-MXWKQRLJSA-N 2 0 197.326 0.278 20 0 ACADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@H]1C 307459569 409647520 /nfs/dbraw/zinc/64/75/20/409647520.db2.gz AMYPYUKCOGBJIC-HLTSFMKQSA-N 2 0 199.298 0.062 20 0 ACADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@@H]1C 307459566 409648073 /nfs/dbraw/zinc/64/80/73/409648073.db2.gz AMYPYUKCOGBJIC-CIUDSAMLSA-N 2 0 199.298 0.062 20 0 ACADRP CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C 307459575 409648190 /nfs/dbraw/zinc/64/81/90/409648190.db2.gz AMYPYUKCOGBJIC-YIZRAAEISA-N 2 0 199.298 0.062 20 0 ACADRP [NH3+]C[C@H]1CCCN1C[C@H]1CC[NH2+]C1 307456102 409648890 /nfs/dbraw/zinc/64/88/90/409648890.db2.gz XVXPXLJUFKUZFC-VHSXEESVSA-N 2 0 183.299 0.019 20 0 ACADRP CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C[C@H]1C 307459572 409648909 /nfs/dbraw/zinc/64/89/09/409648909.db2.gz AMYPYUKCOGBJIC-VGMNWLOBSA-N 2 0 199.298 0.062 20 0 ACADRP [NH3+]C[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 307456088 409648985 /nfs/dbraw/zinc/64/89/85/409648985.db2.gz XVXPXLJUFKUZFC-NXEZZACHSA-N 2 0 183.299 0.019 20 0 ACADRP C[C@@H]1[NH2+]CCN(C[C@H]2CC[NH2+]C2)[C@H]1C 307632945 409662605 /nfs/dbraw/zinc/66/26/05/409662605.db2.gz QKUWGYSURLGXGT-DCAQKATOSA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)C1 307624849 409662862 /nfs/dbraw/zinc/66/28/62/409662862.db2.gz IYAJSNHDJOBYPT-CHWFTXMASA-N 2 0 198.310 0.345 20 0 ACADRP C[C@@H]1[NH2+]CCN(C[C@@H]2CC[NH2+]C2)[C@H]1C 307632946 409662998 /nfs/dbraw/zinc/66/29/98/409662998.db2.gz QKUWGYSURLGXGT-GARJFASQSA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]1[NH2+]CCN(C[C@H]2CC[NH2+]C2)[C@@H]1C 307632944 409663370 /nfs/dbraw/zinc/66/33/70/409663370.db2.gz QKUWGYSURLGXGT-AXFHLTTASA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]1[NH2+]CCN(C[C@@H]2CC[NH2+]C2)[C@@H]1C 307632947 409663526 /nfs/dbraw/zinc/66/35/26/409663526.db2.gz QKUWGYSURLGXGT-HBNTYKKESA-N 2 0 197.326 0.278 20 0 ACADRP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] 307753368 409669063 /nfs/dbraw/zinc/66/90/63/409669063.db2.gz VNOWDBDYWOZTBD-MXWKQRLJSA-N 2 0 197.326 0.265 20 0 ACADRP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1[NH3+] 307753369 409669700 /nfs/dbraw/zinc/66/97/00/409669700.db2.gz VNOWDBDYWOZTBD-OUAUKWLOSA-N 2 0 197.326 0.265 20 0 ACADRP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@@H]1[NH3+] 307753370 409670166 /nfs/dbraw/zinc/67/01/66/409670166.db2.gz VNOWDBDYWOZTBD-VWYCJHECSA-N 2 0 197.326 0.265 20 0 ACADRP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1[NH3+] 307753367 409670656 /nfs/dbraw/zinc/67/06/56/409670656.db2.gz VNOWDBDYWOZTBD-GMTAPVOTSA-N 2 0 197.326 0.265 20 0 ACADRP [NH3+]C1(C[NH2+]CCCF)CCC1 307879945 409672726 /nfs/dbraw/zinc/67/27/26/409672726.db2.gz QONRFRLVWJZCFZ-UHFFFAOYSA-N 2 0 160.236 0.817 20 0 ACADRP C[C@@H](C[NH3+])C[NH2+][C@H](C)C1CC1 307855825 409672778 /nfs/dbraw/zinc/67/27/78/409672778.db2.gz CJEQXFTUQOGGOF-JGVFFNPUSA-N 2 0 156.273 0.969 20 0 ACADRP C[C@@H](C[NH3+])C[NH2+][C@@H](C)C1CC1 307855828 409673726 /nfs/dbraw/zinc/67/37/26/409673726.db2.gz CJEQXFTUQOGGOF-YUMQZZPRSA-N 2 0 156.273 0.969 20 0 ACADRP C[C@H]([NH2+]C[C@H](C)C[NH3+])C1CC1 307855827 409674192 /nfs/dbraw/zinc/67/41/92/409674192.db2.gz CJEQXFTUQOGGOF-SFYZADRCSA-N 2 0 156.273 0.969 20 0 ACADRP CC[C@@H]1CN(CC[NH3+])CC[C@H]1[NH3+] 307759872 409674199 /nfs/dbraw/zinc/67/41/99/409674199.db2.gz UHAJGNLGQUEFFM-RKDXNWHRSA-N 2 0 171.288 0.004 20 0 ACADRP C[C@H](C[NH3+])C[NH2+][C@H](C)C1CC1 307855824 409674345 /nfs/dbraw/zinc/67/43/45/409674345.db2.gz CJEQXFTUQOGGOF-HTQZYQBOSA-N 2 0 156.273 0.969 20 0 ACADRP CC[C@H]1CN(CC[NH3+])CC[C@H]1[NH3+] 307759870 409674438 /nfs/dbraw/zinc/67/44/38/409674438.db2.gz UHAJGNLGQUEFFM-DTWKUNHWSA-N 2 0 171.288 0.004 20 0 ACADRP CC[C@H]1CN(CC[NH3+])CC[C@@H]1[NH3+] 307759871 409674620 /nfs/dbraw/zinc/67/46/20/409674620.db2.gz UHAJGNLGQUEFFM-IUCAKERBSA-N 2 0 171.288 0.004 20 0 ACADRP C[NH2+]CCCN(C)Cc1cn[nH]c1 308125152 409683456 /nfs/dbraw/zinc/68/34/56/409683456.db2.gz AJQICKYTZMLBQC-UHFFFAOYSA-N 2 0 182.271 0.451 20 0 ACADRP CCCCCN(CCO)C[C@H](C)[NH3+] 308562679 409736901 /nfs/dbraw/zinc/73/69/01/409736901.db2.gz GEWSGKPDOFSVSQ-JTQLQIEISA-N 2 0 188.315 0.818 20 0 ACADRP CC[N@H+](C)C[C@H](O)Cn1ccnc1 308212852 409698614 /nfs/dbraw/zinc/69/86/14/409698614.db2.gz XIKHCUVORZZCCQ-VIFPVBQESA-N 2 0 183.255 0.196 20 0 ACADRP CC[N@H+](C)C[C@@H](O)Cn1ccnc1 308212850 409701337 /nfs/dbraw/zinc/70/13/37/409701337.db2.gz XIKHCUVORZZCCQ-SECBINFHSA-N 2 0 183.255 0.196 20 0 ACADRP C[NH2+]CCC[N@H+](C)C1(COC)CC1 662298623 409709661 /nfs/dbraw/zinc/70/96/61/409709661.db2.gz PYUCZLNWNZBHTC-UHFFFAOYSA-N 2 0 186.299 0.707 20 0 ACADRP CCCCN(CCO)C[C@H](C)[NH3+] 308313620 409710419 /nfs/dbraw/zinc/71/04/19/409710419.db2.gz URCHITQAXFVAKC-VIFPVBQESA-N 2 0 174.288 0.428 20 0 ACADRP COCC1([N@H+](C)C[C@@H]2CC[NH2+]C2)CC1 662299358 409710580 /nfs/dbraw/zinc/71/05/80/409710580.db2.gz YVAGSMZBOXJDGI-SNVBAGLBSA-N 2 0 198.310 0.707 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]2OCC[C@@H]21 662297702 409710663 /nfs/dbraw/zinc/71/06/63/409710663.db2.gz IQMLCIDEIYWPJI-QWRGUYRKSA-N 2 0 198.310 0.849 20 0 ACADRP C[N@@H+](CC1CC=CC1)C[C@@H](O)C[NH3+] 662276897 409712375 /nfs/dbraw/zinc/71/23/75/409712375.db2.gz MWBDZIXRDHTZJQ-JTQLQIEISA-N 2 0 184.283 0.204 20 0 ACADRP C[N@H+](CC(C)(C)[NH3+])CC(C)(C)O 662292820 409710805 /nfs/dbraw/zinc/71/08/05/409710805.db2.gz ABLWBIVUKMWNOE-UHFFFAOYSA-N 2 0 174.288 0.426 20 0 ACADRP CN(C[C@@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662293515 409710925 /nfs/dbraw/zinc/71/09/25/409710925.db2.gz STCSSQKOIYBBHE-SECBINFHSA-N 2 0 185.315 0.265 20 0 ACADRP CCCCN(CCO)C[C@@H](C)[NH3+] 308313619 409711170 /nfs/dbraw/zinc/71/11/70/409711170.db2.gz URCHITQAXFVAKC-SECBINFHSA-N 2 0 174.288 0.428 20 0 ACADRP C[N@@H+](CC1CC=CC1)C[C@H](O)C[NH3+] 662276898 409711405 /nfs/dbraw/zinc/71/14/05/409711405.db2.gz MWBDZIXRDHTZJQ-SNVBAGLBSA-N 2 0 184.283 0.204 20 0 ACADRP OCC1([NH2+]CCCF)CC[NH2+]CC1 662286988 409711436 /nfs/dbraw/zinc/71/14/36/409711436.db2.gz ORGATECSQWXVIK-UHFFFAOYSA-N 2 0 190.262 0.050 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662293516 409711593 /nfs/dbraw/zinc/71/15/93/409711593.db2.gz STCSSQKOIYBBHE-VIFPVBQESA-N 2 0 185.315 0.265 20 0 ACADRP CC(C)=CCC[N@@H+](C)C[C@@H](O)C[NH3+] 662275969 409712073 /nfs/dbraw/zinc/71/20/73/409712073.db2.gz GGFNHUINGNFPMP-JTQLQIEISA-N 2 0 186.299 0.594 20 0 ACADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662295290 409712655 /nfs/dbraw/zinc/71/26/55/409712655.db2.gz PCDXDEWKJHYHRF-SNVBAGLBSA-N 3 0 199.342 0.655 20 0 ACADRP COCC1([N@H+](C)C[C@H]2CC[NH2+]C2)CC1 662299357 409712259 /nfs/dbraw/zinc/71/22/59/409712259.db2.gz YVAGSMZBOXJDGI-JTQLQIEISA-N 2 0 198.310 0.707 20 0 ACADRP CC(C)=CCC[N@@H+](C)C[C@H](O)C[NH3+] 662275970 409712312 /nfs/dbraw/zinc/71/23/12/409712312.db2.gz GGFNHUINGNFPMP-SNVBAGLBSA-N 2 0 186.299 0.594 20 0 ACADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662295289 409712521 /nfs/dbraw/zinc/71/25/21/409712521.db2.gz PCDXDEWKJHYHRF-JTQLQIEISA-N 3 0 199.342 0.655 20 0 ACADRP CCCC[NH2+]C1(CO)CC[NH2+]CC1 662286695 409712559 /nfs/dbraw/zinc/71/25/59/409712559.db2.gz XPUHAPCPTULHQD-UHFFFAOYSA-N 2 0 186.299 0.491 20 0 ACADRP OCC1([NH2+]CC2CCC2)CC[NH2+]CC1 662284409 409712674 /nfs/dbraw/zinc/71/26/74/409712674.db2.gz MXDXXIJQHBDTMP-UHFFFAOYSA-N 2 0 198.310 0.491 20 0 ACADRP CC(C)[C@H]([NH3+])CCN(C)CC[NH3+] 308360018 409713894 /nfs/dbraw/zinc/71/38/94/409713894.db2.gz DBHKWAZPGALLRA-SECBINFHSA-N 2 0 173.304 0.250 20 0 ACADRP C[NH2+]CCCNCC1([NH3+])CCC1 308373019 409713908 /nfs/dbraw/zinc/71/39/08/409713908.db2.gz LXVLZUBQDNLSBO-UHFFFAOYSA-N 2 0 171.288 0.067 20 0 ACADRP [NH3+]CCOCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 662315962 409713971 /nfs/dbraw/zinc/71/39/71/409713971.db2.gz RQGXAXDYEAQAFI-NXEZZACHSA-N 2 0 184.283 0.304 20 0 ACADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 662315355 409714392 /nfs/dbraw/zinc/71/43/92/409714392.db2.gz MMXDONWKIRROIW-MXWKQRLJSA-N 2 0 198.310 0.299 20 0 ACADRP C[NH2+]CCCN1CCC([NH3+])CC1 308389541 409714723 /nfs/dbraw/zinc/71/47/23/409714723.db2.gz XDCTWPKHOHVHJL-UHFFFAOYSA-N 2 0 171.288 0.019 20 0 ACADRP CC(C)[C@@H]([NH3+])CCN(C)CC[NH3+] 308360025 409714843 /nfs/dbraw/zinc/71/48/43/409714843.db2.gz DBHKWAZPGALLRA-VIFPVBQESA-N 2 0 173.304 0.250 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 662315343 409715230 /nfs/dbraw/zinc/71/52/30/409715230.db2.gz LZCKUOFPFBLLDZ-NXEZZACHSA-N 2 0 168.284 0.938 20 0 ACADRP C[C@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C[NH3+] 662316201 409715371 /nfs/dbraw/zinc/71/53/71/409715371.db2.gz WOXRQJXFRMWFHR-UTLUCORTSA-N 2 0 185.315 0.393 20 0 ACADRP C[C@@H]([NH3+])CN1CC[C@@H](C)C[C@H]1C[NH3+] 662316199 409715575 /nfs/dbraw/zinc/71/55/75/409715575.db2.gz WOXRQJXFRMWFHR-BBBLOLIVSA-N 2 0 185.315 0.393 20 0 ACADRP C[NH2+]CCCN1CC[C@@H](C)C[C@H]1C[NH3+] 662315124 409715738 /nfs/dbraw/zinc/71/57/38/409715738.db2.gz LLRXPWXRFPEAJH-MNOVXSKESA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2C[C@H]2C1 662315354 409716566 /nfs/dbraw/zinc/71/65/66/409716566.db2.gz MMXDONWKIRROIW-DCAQKATOSA-N 2 0 198.310 0.299 20 0 ACADRP [NH3+]CCOCC[N@@H+]1CC[C@H]2C[C@H]2C1 662315963 409716847 /nfs/dbraw/zinc/71/68/47/409716847.db2.gz RQGXAXDYEAQAFI-UWVGGRQHSA-N 2 0 184.283 0.304 20 0 ACADRP C[C@@H]1CCC[N@H+](CCN)[C@@H]1CCC[NH3+] 662317295 409717490 /nfs/dbraw/zinc/71/74/90/409717490.db2.gz PPWUMQSGOHKWOU-GHMZBOCLSA-N 2 0 199.342 0.785 20 0 ACADRP C[N@H+](CCC[NH3+])CC1=CCSC1 662326805 409717805 /nfs/dbraw/zinc/71/78/05/409717805.db2.gz CMJIIAFFWCQWAA-UHFFFAOYSA-N 2 0 186.324 0.940 20 0 ACADRP CCC[C@H]1C[NH2+]CCN1CC[NH3+] 308404369 409717864 /nfs/dbraw/zinc/71/78/64/409717864.db2.gz KPVWUYDLXAKIOX-VIFPVBQESA-N 2 0 171.288 0.019 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@H]2C[C@H]2C1 662315344 409717938 /nfs/dbraw/zinc/71/79/38/409717938.db2.gz LZCKUOFPFBLLDZ-UWVGGRQHSA-N 2 0 168.284 0.938 20 0 ACADRP CCC[C@@H]1C[NH2+]CCN1CC[NH3+] 308404368 409719707 /nfs/dbraw/zinc/71/97/07/409719707.db2.gz KPVWUYDLXAKIOX-SECBINFHSA-N 2 0 171.288 0.019 20 0 ACADRP C[C@H]([NH3+])CN[C@](C)(C[NH3+])C1CC1 308425647 409721892 /nfs/dbraw/zinc/72/18/92/409721892.db2.gz WLBKAYVKFQKNCA-IONNQARKSA-N 2 0 171.288 0.051 20 0 ACADRP C[C@@H]([NH3+])CN(C)CC[NH+]1CCCCC1 308456992 409722209 /nfs/dbraw/zinc/72/22/09/409722209.db2.gz DJMFDVASMDTURN-LLVKDONJSA-N 2 0 199.342 0.751 20 0 ACADRP C[C@@H]([NH3+])CN[C@](C)(C[NH3+])C1CC1 308425653 409722329 /nfs/dbraw/zinc/72/23/29/409722329.db2.gz WLBKAYVKFQKNCA-VXNVDRBHSA-N 2 0 171.288 0.051 20 0 ACADRP C[C@H]([NH3+])CN(C)CC[NH+]1CCCCC1 308456994 409722437 /nfs/dbraw/zinc/72/24/37/409722437.db2.gz DJMFDVASMDTURN-NSHDSACASA-N 2 0 199.342 0.751 20 0 ACADRP C[C@H]([NH3+])CN[C@@](C)(C[NH3+])C1CC1 308425643 409722741 /nfs/dbraw/zinc/72/27/41/409722741.db2.gz WLBKAYVKFQKNCA-CBAPKCEASA-N 2 0 171.288 0.051 20 0 ACADRP C[C@@H]([NH3+])CN[C@@](C)(C[NH3+])C1CC1 308425638 409724598 /nfs/dbraw/zinc/72/45/98/409724598.db2.gz WLBKAYVKFQKNCA-APPZFPTMSA-N 2 0 171.288 0.051 20 0 ACADRP CC(C)(C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O 308503205 409725989 /nfs/dbraw/zinc/72/59/89/409725989.db2.gz BLFNOYYNNQIPEB-RKDXNWHRSA-N 2 0 186.299 0.202 20 0 ACADRP CC[N@H+](C)C[C@@H](O)Cn1ccnc1C 308481318 409726394 /nfs/dbraw/zinc/72/63/94/409726394.db2.gz LNJCXFFDTHHWDW-SNVBAGLBSA-N 2 0 197.282 0.504 20 0 ACADRP C[NH2+]CCCN(C)CC(C)(C)C[NH3+] 308493203 409726630 /nfs/dbraw/zinc/72/66/30/409726630.db2.gz APRBXTPGBXUYPF-UHFFFAOYSA-N 2 0 187.331 0.513 20 0 ACADRP C[NH2+]CCCN1CCC(C)([NH3+])CC1 308495334 409727213 /nfs/dbraw/zinc/72/72/13/409727213.db2.gz BUGIZGWLJXPGBF-UHFFFAOYSA-N 2 0 185.315 0.409 20 0 ACADRP COCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 308495318 409727346 /nfs/dbraw/zinc/72/73/46/409727346.db2.gz BTXKOIJGMIPUIE-QWRGUYRKSA-N 2 0 198.310 0.694 20 0 ACADRP CC[N@H+](C)C[C@H](O)Cn1ccnc1C 308481317 409727402 /nfs/dbraw/zinc/72/74/02/409727402.db2.gz LNJCXFFDTHHWDW-JTQLQIEISA-N 2 0 197.282 0.504 20 0 ACADRP CC[C@H](C)C[NH2+]C[C@H]1C[NH2+]C[C@H]1O 308518719 409729916 /nfs/dbraw/zinc/72/99/16/409729916.db2.gz PTHZLLSYTFTQJO-LPEHRKFASA-N 2 0 186.299 0.202 20 0 ACADRP C[NH2+]CCCN1CC[C@@H]([NH3+])C[C@H]1C 308559013 409732490 /nfs/dbraw/zinc/73/24/90/409732490.db2.gz CXVVQNLWQCOIIY-NXEZZACHSA-N 2 0 185.315 0.408 20 0 ACADRP C[NH2+]CCCN1CC[C@@H]([NH3+])C[C@@H]1C 308559015 409732990 /nfs/dbraw/zinc/73/29/90/409732990.db2.gz CXVVQNLWQCOIIY-VHSXEESVSA-N 2 0 185.315 0.408 20 0 ACADRP C[NH2+]CCCN1CC[C@H]([NH3+])C[C@@H]1C 308559014 409733589 /nfs/dbraw/zinc/73/35/89/409733589.db2.gz CXVVQNLWQCOIIY-UWVGGRQHSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@H](CN)[N@H+](C)CC1CC[NH2+]CC1 308557333 409734273 /nfs/dbraw/zinc/73/42/73/409734273.db2.gz BVRYWNGXJUZKSH-SECBINFHSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H](CN)[N@H+](C)CC1CC[NH2+]CC1 308557335 409734357 /nfs/dbraw/zinc/73/43/57/409734357.db2.gz BVRYWNGXJUZKSH-VIFPVBQESA-N 2 0 185.315 0.265 20 0 ACADRP C[NH2+]CCC[NH+]1CCC(C[NH3+])CC1 308587280 409737196 /nfs/dbraw/zinc/73/71/96/409737196.db2.gz SQKAAADQSADVSU-UHFFFAOYSA-N 3 0 185.315 0.267 20 0 ACADRP C[NH2+]CCCN1CC[C@H]([NH3+])C[C@H]1C 308559016 409737518 /nfs/dbraw/zinc/73/75/18/409737518.db2.gz CXVVQNLWQCOIIY-ZJUUUORDSA-N 2 0 185.315 0.408 20 0 ACADRP CCCCCN(CCO)C[C@@H](C)[NH3+] 308562680 409737842 /nfs/dbraw/zinc/73/78/42/409737842.db2.gz GEWSGKPDOFSVSQ-SNVBAGLBSA-N 2 0 188.315 0.818 20 0 ACADRP C[C@@H]([NH3+])CN1CCCC[C@H]1CC[NH3+] 308591614 409739005 /nfs/dbraw/zinc/73/90/05/409739005.db2.gz VSJQYGUMCHWJPX-ZJUUUORDSA-N 2 0 185.315 0.537 20 0 ACADRP CCC[C@@H]1C[NH2+]CCN1C[C@H](C)[NH3+] 308600652 409739962 /nfs/dbraw/zinc/73/99/62/409739962.db2.gz APQFYFVFBQWLGE-VHSXEESVSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@H](C[NH3+])N(C)C[C@@H]1CCC[NH2+]C1 308591683 409739994 /nfs/dbraw/zinc/73/99/94/409739994.db2.gz VVSMFJFCCJSVEO-NXEZZACHSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H]([NH3+])CN1CCCC[C@@H]1CC[NH3+] 308591611 409740145 /nfs/dbraw/zinc/74/01/45/409740145.db2.gz VSJQYGUMCHWJPX-NXEZZACHSA-N 2 0 185.315 0.537 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@@H]1CC[NH3+] 308591613 409740205 /nfs/dbraw/zinc/74/02/05/409740205.db2.gz VSJQYGUMCHWJPX-VHSXEESVSA-N 2 0 185.315 0.537 20 0 ACADRP CCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 308599323 409740230 /nfs/dbraw/zinc/74/02/30/409740230.db2.gz AZJNCTWWCBSRPO-GHMZBOCLSA-N 2 0 198.310 0.707 20 0 ACADRP CCC[C@H]1C[NH2+]CCN1C[C@H](C)[NH3+] 308600651 409740671 /nfs/dbraw/zinc/74/06/71/409740671.db2.gz APQFYFVFBQWLGE-UWVGGRQHSA-N 2 0 185.315 0.408 20 0 ACADRP CCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 308599325 409740773 /nfs/dbraw/zinc/74/07/73/409740773.db2.gz AZJNCTWWCBSRPO-QWRGUYRKSA-N 2 0 198.310 0.707 20 0 ACADRP CCOCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 308599324 409740863 /nfs/dbraw/zinc/74/08/63/409740863.db2.gz AZJNCTWWCBSRPO-MNOVXSKESA-N 2 0 198.310 0.707 20 0 ACADRP C[C@H]([NH3+])CN1CCCC[C@H]1CC[NH3+] 308591612 409740963 /nfs/dbraw/zinc/74/09/63/409740963.db2.gz VSJQYGUMCHWJPX-UWVGGRQHSA-N 2 0 185.315 0.537 20 0 ACADRP C[C@H](C[NH3+])N(C)C[C@H]1CCC[NH2+]C1 308591853 409740989 /nfs/dbraw/zinc/74/09/89/409740989.db2.gz VVSMFJFCCJSVEO-ZJUUUORDSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H](C[NH3+])N(C)C[C@@H]1CCC[NH2+]C1 308591851 409741097 /nfs/dbraw/zinc/74/10/97/409741097.db2.gz VVSMFJFCCJSVEO-VHSXEESVSA-N 2 0 185.315 0.265 20 0 ACADRP CCOCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 308599328 409741118 /nfs/dbraw/zinc/74/11/18/409741118.db2.gz AZJNCTWWCBSRPO-WDEREUQCSA-N 2 0 198.310 0.707 20 0 ACADRP CCC[C@H]1C[NH2+]CCN1C[C@@H](C)[NH3+] 308600654 409741229 /nfs/dbraw/zinc/74/12/29/409741229.db2.gz APQFYFVFBQWLGE-ZJUUUORDSA-N 2 0 185.315 0.408 20 0 ACADRP C[C@@H](C[NH3+])N(C)C[C@H]1CCC[NH2+]C1 308591684 409741464 /nfs/dbraw/zinc/74/14/64/409741464.db2.gz VVSMFJFCCJSVEO-UWVGGRQHSA-N 2 0 185.315 0.265 20 0 ACADRP CCC[C@@H]1C[NH2+]CCN1C[C@@H](C)[NH3+] 308600648 409741559 /nfs/dbraw/zinc/74/15/59/409741559.db2.gz APQFYFVFBQWLGE-NXEZZACHSA-N 2 0 185.315 0.408 20 0 ACADRP CN(C[C@@H](O)C[NH2+]CC1CC1)C1CC1 308645914 409742688 /nfs/dbraw/zinc/74/26/88/409742688.db2.gz HIDPKCJBTZEVKF-NSHDSACASA-N 2 0 198.310 0.441 20 0 ACADRP C[N@H+](CCCCCO)CC(C)(C)[NH3+] 308633744 409743878 /nfs/dbraw/zinc/74/38/78/409743878.db2.gz BVDPCPAUFFUOGC-UHFFFAOYSA-N 2 0 188.315 0.818 20 0 ACADRP C[NH2+]C[C@H]1CCCN1CC(C)(C)[NH3+] 308645874 409744018 /nfs/dbraw/zinc/74/40/18/409744018.db2.gz HOYJGPJTZCKSIO-SECBINFHSA-N 2 0 185.315 0.408 20 0 ACADRP CN(C[C@H](O)C[NH2+]CC1CC1)C1CC1 308645913 409744213 /nfs/dbraw/zinc/74/42/13/409744213.db2.gz HIDPKCJBTZEVKF-LLVKDONJSA-N 2 0 198.310 0.441 20 0 ACADRP C[NH2+]C[C@@H]1CCCN1CC(C)(C)[NH3+] 308645875 409744418 /nfs/dbraw/zinc/74/44/18/409744418.db2.gz HOYJGPJTZCKSIO-VIFPVBQESA-N 2 0 185.315 0.408 20 0 ACADRP C[NH2+]C[C@H]1CCN(CC(C)(C)[NH3+])C1 308644223 409744617 /nfs/dbraw/zinc/74/46/17/409744617.db2.gz GPPXJAVCXHBLMN-SECBINFHSA-N 3 0 185.315 0.265 20 0 ACADRP C[NH2+]C[C@@H]1CCN(CC(C)(C)[NH3+])C1 308644228 409745149 /nfs/dbraw/zinc/74/51/49/409745149.db2.gz GPPXJAVCXHBLMN-VIFPVBQESA-N 3 0 185.315 0.265 20 0 ACADRP CN(C[C@H](O)C[NH2+]C1CCC1)C1CC1 308652761 409746008 /nfs/dbraw/zinc/74/60/08/409746008.db2.gz LIEZIZHXAPVYKY-LLVKDONJSA-N 2 0 198.310 0.584 20 0 ACADRP CCOCC[NH+]1CCC(C)([NH3+])CC1 308658649 409746946 /nfs/dbraw/zinc/74/69/46/409746946.db2.gz PBFZFCSYXKOUNZ-UHFFFAOYSA-N 2 0 186.299 0.836 20 0 ACADRP CN(C[C@@H](O)C[NH2+]C1CCC1)C1CC1 308652762 409747057 /nfs/dbraw/zinc/74/70/57/409747057.db2.gz LIEZIZHXAPVYKY-NSHDSACASA-N 2 0 198.310 0.584 20 0 ACADRP CN(CC(C)(C)[NH3+])C(=O)C1([NH3+])CCC1 662605380 409747406 /nfs/dbraw/zinc/74/74/06/409747406.db2.gz NLJUDXZAVGEFGL-UHFFFAOYSA-N 2 0 199.298 0.064 20 0 ACADRP [NH3+]CCCC(=O)NCC1([NH3+])CCCC1 662648814 409748483 /nfs/dbraw/zinc/74/84/83/409748483.db2.gz KGTPVVRKHCOMFL-UHFFFAOYSA-N 2 0 199.298 0.113 20 0 ACADRP CC(C)([NH3+])C(=O)NCC1([NH3+])CCCC1 662649390 409749192 /nfs/dbraw/zinc/74/91/92/409749192.db2.gz NZWGVPFETRWRFN-UHFFFAOYSA-N 2 0 199.298 0.111 20 0 ACADRP C[NH2+]C[C@@H]1CCCN(C[C@H](C)[NH3+])C1 308663072 409749243 /nfs/dbraw/zinc/74/92/43/409749243.db2.gz RCBQSCVBOUSTMQ-UWVGGRQHSA-N 2 0 185.315 0.265 20 0 ACADRP CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 662649717 409749276 /nfs/dbraw/zinc/74/92/76/409749276.db2.gz RCVLIJPXQTUURG-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP C[NH2+]C[C@@H]1CCCN(C[C@@H](C)[NH3+])C1 308663075 409749338 /nfs/dbraw/zinc/74/93/38/409749338.db2.gz RCBQSCVBOUSTMQ-ZJUUUORDSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@@H]1CC[C@@H](C)[NH+]1CCOCC[NH3+] 308675238 409749412 /nfs/dbraw/zinc/74/94/12/409749412.db2.gz VZKFELLKRVVBEO-NXEZZACHSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@H]1CC[C@@H](C)[N@@H+]1CCOCC[NH3+] 308675236 409749443 /nfs/dbraw/zinc/74/94/43/409749443.db2.gz VZKFELLKRVVBEO-AOOOYVTPSA-N 2 0 186.299 0.835 20 0 ACADRP [NH3+]CCN(C1CC[NH2+]CC1)C1CC1 308675314 409749541 /nfs/dbraw/zinc/74/95/41/409749541.db2.gz WBFYNUCYXBNRPR-UHFFFAOYSA-N 2 0 183.299 0.162 20 0 ACADRP C[C@@H]([NH3+])CC(=O)NCC1([NH3+])CCCC1 662649863 409749768 /nfs/dbraw/zinc/74/97/68/409749768.db2.gz STDIYBOOOBURFW-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@H]1CC[C@H](C)[NH+]1CCOCC[NH3+] 308675240 409749868 /nfs/dbraw/zinc/74/98/68/409749868.db2.gz VZKFELLKRVVBEO-UWVGGRQHSA-N 2 0 186.299 0.835 20 0 ACADRP C[NH2+]C[C@H]1CCCN(C[C@@H](C)[NH3+])C1 308663071 409749901 /nfs/dbraw/zinc/74/99/01/409749901.db2.gz RCBQSCVBOUSTMQ-NXEZZACHSA-N 2 0 185.315 0.265 20 0 ACADRP CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 662649718 409749928 /nfs/dbraw/zinc/74/99/28/409749928.db2.gz RCVLIJPXQTUURG-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP C[NH2+]C[C@H]1CCCN(C[C@H](C)[NH3+])C1 308663074 409750271 /nfs/dbraw/zinc/75/02/71/409750271.db2.gz RCBQSCVBOUSTMQ-VHSXEESVSA-N 2 0 185.315 0.265 20 0 ACADRP C[NH2+]CCC1CCN(CC[NH3+])CC1 308687213 409750566 /nfs/dbraw/zinc/75/05/66/409750566.db2.gz ZYXVBHAQPFCLPG-UHFFFAOYSA-N 2 0 185.315 0.267 20 0 ACADRP CC(C)[N@H+](CCOCC[NH3+])C1CC1 308665752 409750767 /nfs/dbraw/zinc/75/07/67/409750767.db2.gz SJMKUJPVKZIWIN-UHFFFAOYSA-N 2 0 186.299 0.835 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCC[C@H]1COC 308722673 409750781 /nfs/dbraw/zinc/75/07/81/409750781.db2.gz DZORKOMUGQEJIU-JTQLQIEISA-N 2 0 186.299 0.707 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCC[C@@H]1COC 308722674 409751735 /nfs/dbraw/zinc/75/17/35/409751735.db2.gz DZORKOMUGQEJIU-SNVBAGLBSA-N 2 0 186.299 0.707 20 0 ACADRP C[C@@H](C[NH3+])N(C)C(=O)CC1([NH3+])CCC1 308826475 409753084 /nfs/dbraw/zinc/75/30/84/409753084.db2.gz AIUMAZSQXOHNMN-QMMMGPOBSA-N 2 0 199.298 0.064 20 0 ACADRP C[C@H](C[NH3+])N(C)C(=O)CC1([NH3+])CCC1 308826471 409753303 /nfs/dbraw/zinc/75/33/03/409753303.db2.gz AIUMAZSQXOHNMN-MRVPVSSYSA-N 2 0 199.298 0.064 20 0 ACADRP C[NH2+]CCCN1[C@@H](C)C[NH2+]C[C@H]1C 308748994 409754097 /nfs/dbraw/zinc/75/40/97/409754097.db2.gz SSYKYQIKXBZRQC-AOOOYVTPSA-N 2 0 185.315 0.278 20 0 ACADRP CC[N@H+](CCCO)C[C@H]1CC[NH2+]C1 308735405 409754360 /nfs/dbraw/zinc/75/43/60/409754360.db2.gz LGKICBDHKMJVOQ-JTQLQIEISA-N 2 0 186.299 0.300 20 0 ACADRP C[NH2+]CCCN1CC[C@@H](C[NH2+]C)C1 308737555 409754558 /nfs/dbraw/zinc/75/45/58/409754558.db2.gz MNYFAHZNEUSVAR-JTQLQIEISA-N 2 0 185.315 0.137 20 0 ACADRP CC[N@H+](CCCO)C[C@@H]1CC[NH2+]C1 308735408 409754698 /nfs/dbraw/zinc/75/46/98/409754698.db2.gz LGKICBDHKMJVOQ-SNVBAGLBSA-N 2 0 186.299 0.300 20 0 ACADRP C[NH2+]CCCN1CC[C@H](C[NH2+]C)C1 308737556 409754781 /nfs/dbraw/zinc/75/47/81/409754781.db2.gz MNYFAHZNEUSVAR-SNVBAGLBSA-N 2 0 185.315 0.137 20 0 ACADRP C[NH2+]CCCN1CC[NH2+]CC1(C)C 308730070 409755066 /nfs/dbraw/zinc/75/50/66/409755066.db2.gz IXKITKQVMCYZBA-UHFFFAOYSA-N 2 0 185.315 0.280 20 0 ACADRP CC(C)([NH3+])CN1CCC[C@@H](CC[NH3+])C1 308866878 409755772 /nfs/dbraw/zinc/75/57/72/409755772.db2.gz XHOYNHUVVDMFJF-JTQLQIEISA-N 2 0 199.342 0.785 20 0 ACADRP CCCN(C[C@H](C)[NH3+])C1CC[NH2+]CC1 308856147 409755824 /nfs/dbraw/zinc/75/58/24/409755824.db2.gz PWQIRBTWALHCFG-JTQLQIEISA-N 2 0 199.342 0.798 20 0 ACADRP C[NH2+]CCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 308879607 409756585 /nfs/dbraw/zinc/75/65/85/409756585.db2.gz PIJSDBJYPCIWCQ-MNOVXSKESA-N 2 0 197.326 0.422 20 0 ACADRP CC(C)([NH3+])CCC(=O)N1CC[C@@H]([NH3+])C1 308853650 409756607 /nfs/dbraw/zinc/75/66/07/409756607.db2.gz SBZVLJSBIQTCCE-MRVPVSSYSA-N 2 0 199.298 0.064 20 0 ACADRP CC(C)([NH3+])CCC(=O)N1CC[C@H]([NH3+])C1 308853651 409756814 /nfs/dbraw/zinc/75/68/14/409756814.db2.gz SBZVLJSBIQTCCE-QMMMGPOBSA-N 2 0 199.298 0.064 20 0 ACADRP CN(CCC[NH3+])C(=O)CC1([NH3+])CCC1 308857455 409756859 /nfs/dbraw/zinc/75/68/59/409756859.db2.gz QJQKNRUNXVJBKZ-UHFFFAOYSA-N 2 0 199.298 0.065 20 0 ACADRP CC(C)(C[NH3+])NC(=O)CC1([NH3+])CCC1 308858615 409757636 /nfs/dbraw/zinc/75/76/36/409757636.db2.gz UQZAUNVSPJWRPV-UHFFFAOYSA-N 2 0 199.298 0.111 20 0 ACADRP CCCN(C[C@@H](C)[NH3+])C1CC[NH2+]CC1 308856149 409757936 /nfs/dbraw/zinc/75/79/36/409757936.db2.gz PWQIRBTWALHCFG-SNVBAGLBSA-N 2 0 199.342 0.798 20 0 ACADRP CC(C)([NH3+])CN1CCC[C@H](CC[NH3+])C1 308866882 409757952 /nfs/dbraw/zinc/75/79/52/409757952.db2.gz XHOYNHUVVDMFJF-SNVBAGLBSA-N 2 0 199.342 0.785 20 0 ACADRP C[NH2+]C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 308943499 409759091 /nfs/dbraw/zinc/75/90/91/409759091.db2.gz MWSYJNRCVUMHQI-WDEREUQCSA-N 2 0 197.326 0.137 20 0 ACADRP C[NH2+]C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 308943492 409759702 /nfs/dbraw/zinc/75/97/02/409759702.db2.gz MWSYJNRCVUMHQI-GHMZBOCLSA-N 2 0 197.326 0.137 20 0 ACADRP C[NH2+]C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 308943497 409759555 /nfs/dbraw/zinc/75/95/55/409759555.db2.gz MWSYJNRCVUMHQI-QWRGUYRKSA-N 2 0 197.326 0.137 20 0 ACADRP C[NH2+]C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 308943495 409759727 /nfs/dbraw/zinc/75/97/27/409759727.db2.gz MWSYJNRCVUMHQI-MNOVXSKESA-N 2 0 197.326 0.137 20 0 ACADRP C[NH2+]CC1CC[NH+](CC(C)(C)[NH3+])CC1 308927424 409759793 /nfs/dbraw/zinc/75/97/93/409759793.db2.gz DMSZIROJOSKPQA-UHFFFAOYSA-N 3 0 199.342 0.655 20 0 ACADRP C[NH2+]CCCN1CC[C@@]2(CC[NH2+]C2)C1 308892988 409760136 /nfs/dbraw/zinc/76/01/36/409760136.db2.gz XVXORXSEVKAFRK-LLVKDONJSA-N 2 0 197.326 0.281 20 0 ACADRP C[NH2+]CCCN1CC[C@]2(CC[NH2+]C2)C1 308892991 409760160 /nfs/dbraw/zinc/76/01/60/409760160.db2.gz XVXORXSEVKAFRK-NSHDSACASA-N 2 0 197.326 0.281 20 0 ACADRP C[C@@](C[NH3+])(NC[C@@H]1CC[NH2+]C1)C1CC1 308982274 409762128 /nfs/dbraw/zinc/76/21/28/409762128.db2.gz IPHKVIZEXBLLCS-KOLCDFICSA-N 2 0 197.326 0.313 20 0 ACADRP C[NH2+]CCC1CCN(C[C@@H](C)[NH3+])CC1 308986258 409762227 /nfs/dbraw/zinc/76/22/27/409762227.db2.gz JVTVBZRPOWWOKU-SNVBAGLBSA-N 2 0 199.342 0.655 20 0 ACADRP C[N@H+](CCC[NH3+])CCC1CC[NH2+]CC1 308981824 409762288 /nfs/dbraw/zinc/76/22/88/409762288.db2.gz IKLSSPRVXNZWOJ-UHFFFAOYSA-N 3 0 199.342 0.657 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C[C@@H]1CCOC1)C1CC1 308995078 409762367 /nfs/dbraw/zinc/76/23/67/409762367.db2.gz MGMFDIPYBWMKEA-UWVGGRQHSA-N 2 0 198.310 0.835 20 0 ACADRP CC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 308990133 409762606 /nfs/dbraw/zinc/76/26/06/409762606.db2.gz KXLRYCGAINIROZ-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP CN(C[C@@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] 308982587 409762700 /nfs/dbraw/zinc/76/27/00/409762700.db2.gz IRYOQYPUQGUANE-SNVBAGLBSA-N 2 0 199.342 0.513 20 0 ACADRP CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 308990131 409762744 /nfs/dbraw/zinc/76/27/44/409762744.db2.gz KXLRYCGAINIROZ-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@@H]([NH3+])CN(C1CC[NH2+]CC1)C1CC1 308981821 409762939 /nfs/dbraw/zinc/76/29/39/409762939.db2.gz IKGPYZKFGFXCLH-SECBINFHSA-N 2 0 197.326 0.550 20 0 ACADRP C[C@H]([NH3+])C[N@H+](C[C@H]1CCOC1)C1CC1 308995080 409763573 /nfs/dbraw/zinc/76/35/73/409763573.db2.gz MGMFDIPYBWMKEA-VHSXEESVSA-N 2 0 198.310 0.835 20 0 ACADRP C[NH2+]CCC1CCN(C[C@H](C)[NH3+])CC1 308986257 409763722 /nfs/dbraw/zinc/76/37/22/409763722.db2.gz JVTVBZRPOWWOKU-JTQLQIEISA-N 2 0 199.342 0.655 20 0 ACADRP C[C@](C[NH3+])(NC[C@H]1CC[NH2+]C1)C1CC1 308982272 409763746 /nfs/dbraw/zinc/76/37/46/409763746.db2.gz IPHKVIZEXBLLCS-GXSJLCMTSA-N 2 0 197.326 0.313 20 0 ACADRP C[C@@](C[NH3+])(NC[C@H]1CC[NH2+]C1)C1CC1 308982277 409763909 /nfs/dbraw/zinc/76/39/09/409763909.db2.gz IPHKVIZEXBLLCS-ONGXEEELSA-N 2 0 197.326 0.313 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C[C@@H]1CCOC1)C1CC1 308995082 409764136 /nfs/dbraw/zinc/76/41/36/409764136.db2.gz MGMFDIPYBWMKEA-ZJUUUORDSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@](C[NH3+])(NC[C@@H]1CC[NH2+]C1)C1CC1 308982276 409764373 /nfs/dbraw/zinc/76/43/73/409764373.db2.gz IPHKVIZEXBLLCS-MWLCHTKSSA-N 2 0 197.326 0.313 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)CC(C)(C)C[NH3+] 308982586 409764592 /nfs/dbraw/zinc/76/45/92/409764592.db2.gz IRYOQYPUQGUANE-JTQLQIEISA-N 2 0 199.342 0.513 20 0 ACADRP C[C@@H]([NH3+])C[N@H+](C[C@H]1CCOC1)C1CC1 308995076 409764621 /nfs/dbraw/zinc/76/46/21/409764621.db2.gz MGMFDIPYBWMKEA-NXEZZACHSA-N 2 0 198.310 0.835 20 0 ACADRP C[C@H]([NH3+])CN(C1CC[NH2+]CC1)C1CC1 308981822 409764656 /nfs/dbraw/zinc/76/46/56/409764656.db2.gz IKGPYZKFGFXCLH-VIFPVBQESA-N 2 0 197.326 0.550 20 0 ACADRP [NH3+]CCCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] 308999089 409765061 /nfs/dbraw/zinc/76/50/61/409765061.db2.gz NKHQTORRBVGKDJ-RKDXNWHRSA-N 2 0 199.298 0.111 20 0 ACADRP [NH3+]C1(CNC[C@@H]2CCC[NH2+]C2)CCC1 309083922 409765829 /nfs/dbraw/zinc/76/58/29/409765829.db2.gz URFYJTMIJSVXRY-SNVBAGLBSA-N 2 0 197.326 0.457 20 0 ACADRP [NH3+]C1(CNC[C@H]2CCC[NH2+]C2)CCC1 309083921 409765920 /nfs/dbraw/zinc/76/59/20/409765920.db2.gz URFYJTMIJSVXRY-JTQLQIEISA-N 2 0 197.326 0.457 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] 309093785 409766806 /nfs/dbraw/zinc/76/68/06/409766806.db2.gz BZAWPOAHXPRKBR-DTWKUNHWSA-N 2 0 199.298 0.064 20 0 ACADRP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] 309093787 409767043 /nfs/dbraw/zinc/76/70/43/409767043.db2.gz BZAWPOAHXPRKBR-RKDXNWHRSA-N 2 0 199.298 0.064 20 0 ACADRP [NH3+]C1(C[NH2+]CC2CCOCC2)CCC1 309074901 409767401 /nfs/dbraw/zinc/76/74/01/409767401.db2.gz IZGJQBOPBNRVJL-UHFFFAOYSA-N 2 0 198.310 0.884 20 0 ACADRP [NH3+]C1(C[NH2+]CC2CC[NH2+]CC2)CCC1 309081808 409768151 /nfs/dbraw/zinc/76/81/51/409768151.db2.gz QTDPVXUXUNIAAG-UHFFFAOYSA-N 3 0 197.326 0.457 20 0 ACADRP C[NH2+]CCCN1CCCC[C@@H]1[C@H](C)[NH3+] 309113770 409769635 /nfs/dbraw/zinc/76/96/35/409769635.db2.gz KOUWRUAIVAINBS-WDEREUQCSA-N 2 0 199.342 0.798 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 309136253 409769660 /nfs/dbraw/zinc/76/96/60/409769660.db2.gz SBVKRHCFOBFWOC-LLVKDONJSA-N 2 0 199.342 0.657 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H](C)[C@@H]1C[NH3+] 309101431 409769787 /nfs/dbraw/zinc/76/97/87/409769787.db2.gz FXGSZYUIPYCHSW-MNOVXSKESA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]CCCN1CCCC[C@@H]1[C@@H](C)[NH3+] 309113766 409769894 /nfs/dbraw/zinc/76/98/94/409769894.db2.gz KOUWRUAIVAINBS-GHMZBOCLSA-N 2 0 199.342 0.798 20 0 ACADRP C[NH2+]CCCN1CCC[C@H](C)[C@@H]1C[NH3+] 309101432 409769952 /nfs/dbraw/zinc/76/99/52/409769952.db2.gz FXGSZYUIPYCHSW-QWRGUYRKSA-N 2 0 199.342 0.655 20 0 ACADRP Cn1cncc1CNCC1([NH3+])CCC1 309336006 409770090 /nfs/dbraw/zinc/77/00/90/409770090.db2.gz AQDZKWDYVLVWLM-UHFFFAOYSA-N 2 0 194.282 0.391 20 0 ACADRP CN(Cc1cc[nH]n1)CC(C)(C)C[NH3+] 309144245 409770135 /nfs/dbraw/zinc/77/01/35/409770135.db2.gz UPNFAHDUCSDZQQ-UHFFFAOYSA-N 2 0 196.298 0.826 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H](C)[C@H]1C[NH3+] 309101430 409770727 /nfs/dbraw/zinc/77/07/27/409770727.db2.gz FXGSZYUIPYCHSW-GHMZBOCLSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]CCCN1CCCC[C@H]1[C@H](C)[NH3+] 309113768 409770941 /nfs/dbraw/zinc/77/09/41/409770941.db2.gz KOUWRUAIVAINBS-QWRGUYRKSA-N 2 0 199.342 0.798 20 0 ACADRP CN(CCC[NH3+])C(=O)C1([NH3+])CCCC1 309127122 409770966 /nfs/dbraw/zinc/77/09/66/409770966.db2.gz QEFDPCLQKOGKBK-UHFFFAOYSA-N 2 0 199.298 0.065 20 0 ACADRP C[NH2+]CCCN1CCCC[C@H]1CC[NH3+] 309101268 409771144 /nfs/dbraw/zinc/77/11/44/409771144.db2.gz FUTNWQRAARZQSQ-NSHDSACASA-N 2 0 199.342 0.799 20 0 ACADRP C[NH2+]CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 309136254 409771858 /nfs/dbraw/zinc/77/18/58/409771858.db2.gz SBVKRHCFOBFWOC-NSHDSACASA-N 2 0 199.342 0.657 20 0 ACADRP C[NH2+]CCCN1CCC[C@H](C)[C@H]1C[NH3+] 309101433 409771942 /nfs/dbraw/zinc/77/19/42/409771942.db2.gz FXGSZYUIPYCHSW-WDEREUQCSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]CCCN1CCCC[C@H]1[C@@H](C)[NH3+] 309113767 409772026 /nfs/dbraw/zinc/77/20/26/409772026.db2.gz KOUWRUAIVAINBS-MNOVXSKESA-N 2 0 199.342 0.798 20 0 ACADRP C[NH2+]CCCN1CCCC[C@@H]1CC[NH3+] 309101267 409772356 /nfs/dbraw/zinc/77/23/56/409772356.db2.gz FUTNWQRAARZQSQ-LLVKDONJSA-N 2 0 199.342 0.799 20 0 ACADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)[NH3+])C1 309654380 409773848 /nfs/dbraw/zinc/77/38/48/409773848.db2.gz YQKHRZCWUKITLB-GHMZBOCLSA-N 2 0 199.342 0.607 20 0 ACADRP CC[N@H+](C)C[C@H]1CCN(C[C@H](C)[NH3+])C1 309654386 409774595 /nfs/dbraw/zinc/77/45/95/409774595.db2.gz YQKHRZCWUKITLB-WDEREUQCSA-N 2 0 199.342 0.607 20 0 ACADRP CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)[NH3+])C1 309654384 409775206 /nfs/dbraw/zinc/77/52/06/409775206.db2.gz YQKHRZCWUKITLB-QWRGUYRKSA-N 2 0 199.342 0.607 20 0 ACADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)[NH3+])C1 309654382 409775726 /nfs/dbraw/zinc/77/57/26/409775726.db2.gz YQKHRZCWUKITLB-MNOVXSKESA-N 2 0 199.342 0.607 20 0 ACADRP CC(C)[C@H]([NH3+])CNC[C@]12C[NH2+]C[C@H]1C2 663494678 409781720 /nfs/dbraw/zinc/78/17/20/409781720.db2.gz QPNDJPAPHVUOPQ-MXWKQRLJSA-N 2 0 197.326 0.169 20 0 ACADRP [NH3+][C@@H]1CCCN(C[C@@]23C[NH2+]C[C@@H]2C3)C1 663495414 409782184 /nfs/dbraw/zinc/78/21/84/409782184.db2.gz XSVMRRRFTNHICZ-HBNTYKKESA-N 2 0 195.310 0.019 20 0 ACADRP CCC[NH2+]CCNC[C@]12C[NH2+]C[C@H]1C2 663493465 409782272 /nfs/dbraw/zinc/78/22/72/409782272.db2.gz IBAORYGBSXFHFW-GHMZBOCLSA-N 2 0 197.326 0.185 20 0 ACADRP C[NH2+]CCCN(C)C[C@@]12C[NH2+]C[C@@H]1C2 663495834 409782423 /nfs/dbraw/zinc/78/24/23/409782423.db2.gz BFJBVSDHVZLARH-WDEREUQCSA-N 2 0 197.326 0.137 20 0 ACADRP CN(C[C@]12C[NH2+]C[C@H]1C2)C1CC([NH3+])C1 663494673 409782449 /nfs/dbraw/zinc/78/24/49/409782449.db2.gz QNHZLWABIUZFKX-SFXRXQKFSA-N 2 0 195.310 0.017 20 0 ACADRP C[NH2+]CCCN(C)C[C@]12C[NH2+]C[C@H]1C2 663495825 409782635 /nfs/dbraw/zinc/78/26/35/409782635.db2.gz BFJBVSDHVZLARH-MNOVXSKESA-N 2 0 197.326 0.137 20 0 ACADRP CCC[NH2+]CCNC[C@@]12C[NH2+]C[C@@H]1C2 663493467 409782765 /nfs/dbraw/zinc/78/27/65/409782765.db2.gz IBAORYGBSXFHFW-QWRGUYRKSA-N 2 0 197.326 0.185 20 0 ACADRP CN(C[C@@]12C[NH2+]C[C@@H]1C2)C1CC([NH3+])C1 663494671 409782911 /nfs/dbraw/zinc/78/29/11/409782911.db2.gz QNHZLWABIUZFKX-IDWGSYCQSA-N 2 0 195.310 0.017 20 0 ACADRP [NH3+][C@@H]1CCCN(C[C@]23C[NH2+]C[C@H]2C3)C1 663495415 409783299 /nfs/dbraw/zinc/78/32/99/409783299.db2.gz XSVMRRRFTNHICZ-MXWKQRLJSA-N 2 0 195.310 0.019 20 0 ACADRP CC(C)[C@H]([NH3+])CNC[C@@]12C[NH2+]C[C@@H]1C2 663494677 409783317 /nfs/dbraw/zinc/78/33/17/409783317.db2.gz QPNDJPAPHVUOPQ-HBNTYKKESA-N 2 0 197.326 0.169 20 0 ACADRP CO[C@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 665245231 409860909 /nfs/dbraw/zinc/86/09/09/409860909.db2.gz CGYIVSCLQPEJJW-XHNCKOQMSA-N 2 0 174.288 0.737 20 0 ACADRP CN(CC(C)(C)[NH3+])C[C@@]12C[NH2+]C[C@@H]1C2 663500239 409784132 /nfs/dbraw/zinc/78/41/32/409784132.db2.gz ZHLZTFHAKIWULP-GXSJLCMTSA-N 2 0 197.326 0.265 20 0 ACADRP [NH3+]C1(CNC[C@]23C[NH2+]C[C@H]2C3)CCC1 663498344 409784554 /nfs/dbraw/zinc/78/45/54/409784554.db2.gz SCMSDEZCIVBCHH-ZJUUUORDSA-N 2 0 195.310 0.067 20 0 ACADRP C[C@H](CCC[NH3+])[NH2+]C[C@@]12C[NH2+]C[C@@H]1C2 663497251 409784653 /nfs/dbraw/zinc/78/46/53/409784653.db2.gz MHACPWSYDCMUOF-OUAUKWLOSA-N 3 0 197.326 0.313 20 0 ACADRP 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C[C@H]([NH3+])C[C@H](C)NC[C@]12C[NH2+]C[C@H]1C2 663499871 409786580 /nfs/dbraw/zinc/78/65/80/409786580.db2.gz WNFYJHKPPGSQTK-MMWGEVLESA-N 2 0 197.326 0.311 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 663512324 409787476 /nfs/dbraw/zinc/78/74/76/409787476.db2.gz GESBFKQUFRTLQI-IVZWLZJFSA-N 2 0 185.315 0.454 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 663512328 409787566 /nfs/dbraw/zinc/78/75/66/409787566.db2.gz GESBFKQUFRTLQI-LPEHRKFASA-N 2 0 185.315 0.454 20 0 ACADRP CC[NH+]1CCC(N[C@@H](C)C[NH2+]C)CC1 663510227 409787628 /nfs/dbraw/zinc/78/76/28/409787628.db2.gz CSRRYCANWKAEDE-JTQLQIEISA-N 2 0 199.342 0.668 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@H]1CCC[NH2+]CC1 663513183 409787830 /nfs/dbraw/zinc/78/78/30/409787830.db2.gz JHEUOGMPRRYPGP-ZJUUUORDSA-N 2 0 185.315 0.326 20 0 ACADRP C[NH2+]C[C@H](C)NCC[NH2+]C(C)(C)C 663510146 409787837 /nfs/dbraw/zinc/78/78/37/409787837.db2.gz CJRDOQAWIWWBST-VIFPVBQESA-N 2 0 187.331 0.572 20 0 ACADRP 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409788169 /nfs/dbraw/zinc/78/81/69/409788169.db2.gz LSUXIQVLOPRVMS-VIFPVBQESA-N 3 0 185.315 0.184 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 663513464 409788353 /nfs/dbraw/zinc/78/83/53/409788353.db2.gz KFTCQAPXRRXCST-VWYCJHECSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+]C1CCOCC1 663509131 409788444 /nfs/dbraw/zinc/78/84/44/409788444.db2.gz HCEFSZMUWSCHNQ-QMMMGPOBSA-N 2 0 172.272 0.363 20 0 ACADRP C[NH2+]C[C@@H](C)[NH2+]CC(C)(C)COC 663509993 409788505 /nfs/dbraw/zinc/78/85/05/409788505.db2.gz BURXFTPHVABLPL-SECBINFHSA-N 2 0 188.315 0.857 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 663512318 409788523 /nfs/dbraw/zinc/78/85/23/409788523.db2.gz GESBFKQUFRTLQI-AEJSXWLSSA-N 2 0 185.315 0.454 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 663513462 409788537 /nfs/dbraw/zinc/78/85/37/409788537.db2.gz KFTCQAPXRRXCST-OUAUKWLOSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@@H](C)[NH2+]C1CCOCC1 663509130 409788587 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665235093 409854083 /nfs/dbraw/zinc/85/40/83/409854083.db2.gz PJVWWYBICMYNIO-JMJZKYOTSA-N 2 0 198.310 0.487 20 0 ACADRP C[NH2+]CCCN1CC[C@@H]([NH3+])[C@@H](C)C1 379618653 409855107 /nfs/dbraw/zinc/85/51/07/409855107.db2.gz BUBHWGLBTDDALL-VHSXEESVSA-N 2 0 185.315 0.265 20 0 ACADRP C[NH2+]CCCN1CC[C@H]([NH3+])[C@@H](C)C1 379618652 409855276 /nfs/dbraw/zinc/85/52/76/409855276.db2.gz BUBHWGLBTDDALL-UWVGGRQHSA-N 2 0 185.315 0.265 20 0 ACADRP [NH3+]CC1CCC([NH2+]C/C=C\CO)CC1 665239134 409855446 /nfs/dbraw/zinc/85/54/46/409855446.db2.gz MSJUXDZKDSAMRR-UPHRSURJSA-N 2 0 198.310 0.642 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C/CO 665239160 409855475 /nfs/dbraw/zinc/85/54/75/409855475.db2.gz NEEBYQXLVNUNHU-YEZKRMTDSA-N 2 0 186.299 0.642 20 0 ACADRP COCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 665243407 409855495 /nfs/dbraw/zinc/85/54/95/409855495.db2.gz CZYHTKKWHOZACO-ZJUUUORDSA-N 2 0 186.299 0.753 20 0 ACADRP [NH3+][C@H]1CCCCC[C@H]1N[C@H]1CC[NH2+]C1 665241206 409855581 /nfs/dbraw/zinc/85/55/81/409855581.db2.gz DJJQYYWDHUFCBM-GARJFASQSA-N 2 0 197.326 0.598 20 0 ACADRP [NH3+]CC1CCC([NH2+]C/C=C/CO)CC1 665239133 409855682 /nfs/dbraw/zinc/85/56/82/409855682.db2.gz MSJUXDZKDSAMRR-OWOJBTEDSA-N 2 0 198.310 0.642 20 0 ACADRP [NH3+]C[C@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 665241549 409855859 /nfs/dbraw/zinc/85/58/59/409855859.db2.gz QGGOVVWGCOOVAV-KXUCPTDWSA-N 2 0 183.299 0.065 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C/C=C\CO 665239321 409855939 /nfs/dbraw/zinc/85/59/39/409855939.db2.gz QYDFSNPQWMPMMM-MTVLHHSESA-N 2 0 184.283 0.252 20 0 ACADRP C[C@@H](N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 665241298 409855956 /nfs/dbraw/zinc/85/59/56/409855956.db2.gz HUTWZPZWWUNTHN-KXUCPTDWSA-N 2 0 183.299 0.078 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C/C=C/CO 665239265 409856073 /nfs/dbraw/zinc/85/60/73/409856073.db2.gz PKMRARQLFOWNFV-ZJRFNNFUSA-N 2 0 198.310 0.785 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C\CO 665239289 409856092 /nfs/dbraw/zinc/85/60/92/409856092.db2.gz QFSZLCQQMPXBPC-HIYAPSCVSA-N 2 0 172.272 0.250 20 0 ACADRP C[NH2+]CCCN1CC[C@@H]([NH3+])[C@H](C)C1 379618651 409856093 /nfs/dbraw/zinc/85/60/93/409856093.db2.gz BUBHWGLBTDDALL-NXEZZACHSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C1 665241240 409856229 /nfs/dbraw/zinc/85/62/29/409856229.db2.gz FZZNAAVZTUSEHG-DCAQKATOSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C/CO 665239158 409856240 /nfs/dbraw/zinc/85/62/40/409856240.db2.gz NEEBYQXLVNUNHU-ORAHPGNNSA-N 2 0 186.299 0.642 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C/C=C\CO 665239263 409856256 /nfs/dbraw/zinc/85/62/56/409856256.db2.gz PKMRARQLFOWNFV-WQMVXFAESA-N 2 0 198.310 0.785 20 0 ACADRP [NH3+]C[C@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C1 665241495 409856338 /nfs/dbraw/zinc/85/63/38/409856338.db2.gz OLWQQJLYACNUTF-VWYCJHECSA-N 2 0 197.326 0.455 20 0 ACADRP COCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 665243406 409856394 /nfs/dbraw/zinc/85/63/94/409856394.db2.gz CZYHTKKWHOZACO-UWVGGRQHSA-N 2 0 186.299 0.753 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C/C=C/CO 665239287 409856449 /nfs/dbraw/zinc/85/64/49/409856449.db2.gz QFSZLCQQMPXBPC-DXMIZCBPSA-N 2 0 172.272 0.250 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C1 665241493 409856467 /nfs/dbraw/zinc/85/64/67/409856467.db2.gz OLWQQJLYACNUTF-GARJFASQSA-N 2 0 197.326 0.455 20 0 ACADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 665242484 409857566 /nfs/dbraw/zinc/85/75/66/409857566.db2.gz ZLNXVKSFVRDUMX-MXWKQRLJSA-N 2 0 198.310 0.753 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C/C=C/CO 665239323 409856544 /nfs/dbraw/zinc/85/65/44/409856544.db2.gz QYDFSNPQWMPMMM-SPMHKISASA-N 2 0 184.283 0.252 20 0 ACADRP C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C1 665241241 409856644 /nfs/dbraw/zinc/85/66/44/409856644.db2.gz FZZNAAVZTUSEHG-GARJFASQSA-N 2 0 197.326 0.326 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\CO 665239165 409856686 /nfs/dbraw/zinc/85/66/86/409856686.db2.gz NFPGTCOPLLFOCB-WZQADMAKSA-N 2 0 198.310 0.642 20 0 ACADRP C[C@H](N[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]1 665241299 409856776 /nfs/dbraw/zinc/85/67/76/409856776.db2.gz HUTWZPZWWUNTHN-LPEHRKFASA-N 2 0 183.299 0.078 20 0 ACADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCOC1 665243439 409856841 /nfs/dbraw/zinc/85/68/41/409856841.db2.gz FQDAWUSJZKTUAI-VWYCJHECSA-N 2 0 198.310 0.753 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)N[C@H]1CC[NH2+]C1 665241515 409856863 /nfs/dbraw/zinc/85/68/63/409856863.db2.gz PCEJOPWPMYDXLK-HLTSFMKQSA-N 2 0 171.288 0.064 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+]C/C=C\CO 665239159 409856950 /nfs/dbraw/zinc/85/69/50/409856950.db2.gz NEEBYQXLVNUNHU-UMCURTJPSA-N 2 0 186.299 0.642 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C/C=C\CO)C1 665239180 409856958 /nfs/dbraw/zinc/85/69/58/409856958.db2.gz NIOXXNSXAAFMLN-BSANDHCLSA-N 2 0 184.283 0.394 20 0 ACADRP [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1CC[NH2+]C1 665241205 409856997 /nfs/dbraw/zinc/85/69/97/409856997.db2.gz DJJQYYWDHUFCBM-DCAQKATOSA-N 2 0 197.326 0.598 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C/CO 665239163 409857003 /nfs/dbraw/zinc/85/70/03/409857003.db2.gz NFPGTCOPLLFOCB-MJKAUQOVSA-N 2 0 198.310 0.642 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C/C=C/CO 665239264 409857023 /nfs/dbraw/zinc/85/70/23/409857023.db2.gz PKMRARQLFOWNFV-XKFHPXPTSA-N 2 0 198.310 0.785 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]C1 665241550 409857047 /nfs/dbraw/zinc/85/70/47/409857047.db2.gz QGGOVVWGCOOVAV-LPEHRKFASA-N 2 0 183.299 0.065 20 0 ACADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCOC1 665243437 409857068 /nfs/dbraw/zinc/85/70/68/409857068.db2.gz FQDAWUSJZKTUAI-GARJFASQSA-N 2 0 198.310 0.753 20 0 ACADRP C[NH2+]CCCN1CC[C@H]([NH3+])[C@H](C)C1 379618654 409857221 /nfs/dbraw/zinc/85/72/21/409857221.db2.gz BUBHWGLBTDDALL-ZJUUUORDSA-N 2 0 185.315 0.265 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]C/C=C\CO 665239290 409857350 /nfs/dbraw/zinc/85/73/50/409857350.db2.gz QFSZLCQQMPXBPC-HNRDENNGSA-N 2 0 172.272 0.250 20 0 ACADRP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCOC1 665242485 409857381 /nfs/dbraw/zinc/85/73/81/409857381.db2.gz ZLNXVKSFVRDUMX-VWYCJHECSA-N 2 0 198.310 0.753 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C/C=C/CO 665239324 409857405 /nfs/dbraw/zinc/85/74/05/409857405.db2.gz QYDFSNPQWMPMMM-YBNRLKPGSA-N 2 0 184.283 0.252 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\CO 665239162 409857490 /nfs/dbraw/zinc/85/74/90/409857490.db2.gz NFPGTCOPLLFOCB-CBZSPVTBSA-N 2 0 198.310 0.642 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C/C=C\CO 665238667 409857511 /nfs/dbraw/zinc/85/75/11/409857511.db2.gz ACNMJPYSDJZJRP-LVUHIJSRSA-N 2 0 198.310 0.513 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C/C=C\CO 665238669 409857527 /nfs/dbraw/zinc/85/75/27/409857527.db2.gz ACNMJPYSDJZJRP-UZAOFVRNSA-N 2 0 198.310 0.513 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C/C=C\CO 665239322 409857589 /nfs/dbraw/zinc/85/75/89/409857589.db2.gz QYDFSNPQWMPMMM-SLHCBHIOSA-N 2 0 184.283 0.252 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C1 665241629 409857649 /nfs/dbraw/zinc/85/76/49/409857649.db2.gz UHFMRQXIKWGZFU-UWVGGRQHSA-N 3 0 185.315 0.455 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/CO 665239164 409857878 /nfs/dbraw/zinc/85/78/78/409857878.db2.gz NFPGTCOPLLFOCB-SEUFLZDSSA-N 2 0 198.310 0.642 20 0 ACADRP [NH3+]C[C@H]1CCCC[C@H]1N[C@H]1CC[NH2+]C1 665241494 409857922 /nfs/dbraw/zinc/85/79/22/409857922.db2.gz OLWQQJLYACNUTF-OUAUKWLOSA-N 2 0 197.326 0.455 20 0 ACADRP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCOC1 665243436 409857930 /nfs/dbraw/zinc/85/79/30/409857930.db2.gz FQDAWUSJZKTUAI-DCAQKATOSA-N 2 0 198.310 0.753 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])N[C@H]1CC[NH2+]C1 665241516 409857993 /nfs/dbraw/zinc/85/79/93/409857993.db2.gz PCEJOPWPMYDXLK-VGMNWLOBSA-N 2 0 171.288 0.064 20 0 ACADRP C[C@H](N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 665241297 409858007 /nfs/dbraw/zinc/85/80/07/409858007.db2.gz HUTWZPZWWUNTHN-GUBZILKMSA-N 2 0 183.299 0.078 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C1 665241242 409858078 /nfs/dbraw/zinc/85/80/78/409858078.db2.gz FZZNAAVZTUSEHG-OUAUKWLOSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C/C=C/CO 665238670 409858183 /nfs/dbraw/zinc/85/81/83/409858183.db2.gz ACNMJPYSDJZJRP-WUNPDAOYSA-N 2 0 198.310 0.513 20 0 ACADRP [NH3+]C[C@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 665241551 409858239 /nfs/dbraw/zinc/85/82/39/409858239.db2.gz QGGOVVWGCOOVAV-UTLUCORTSA-N 2 0 183.299 0.065 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C1 665241243 409858248 /nfs/dbraw/zinc/85/82/48/409858248.db2.gz FZZNAAVZTUSEHG-VWYCJHECSA-N 2 0 197.326 0.326 20 0 ACADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[NH2+]C1 665241630 409858256 /nfs/dbraw/zinc/85/82/56/409858256.db2.gz UHFMRQXIKWGZFU-ZJUUUORDSA-N 3 0 185.315 0.455 20 0 ACADRP C[C@@H](CCCC[NH3+])[NH2+]C/C=C\CO 665239157 409858326 /nfs/dbraw/zinc/85/83/26/409858326.db2.gz NEEBYQXLVNUNHU-LWTINBJPSA-N 2 0 186.299 0.642 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C/C=C/CO)C1 665239181 409858335 /nfs/dbraw/zinc/85/83/35/409858335.db2.gz NIOXXNSXAAFMLN-HXNLBGINSA-N 2 0 184.283 0.394 20 0 ACADRP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CC[NH2+]C1 665241492 409858378 /nfs/dbraw/zinc/85/83/78/409858378.db2.gz OLWQQJLYACNUTF-DCAQKATOSA-N 2 0 197.326 0.455 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C/C=C\CO)C1 665239182 409858410 /nfs/dbraw/zinc/85/84/10/409858410.db2.gz NIOXXNSXAAFMLN-SZXTZRQCSA-N 2 0 184.283 0.394 20 0 ACADRP C1C[C@H](NC2C[C@@H]3CC[C@H](C2)[NH2+]3)C[NH2+]1 665241770 409858590 /nfs/dbraw/zinc/85/85/90/409858590.db2.gz YLUUYEGFGWFZRM-JDUUOCRZSA-N 2 0 195.310 0.221 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C/CO 665239288 409858432 /nfs/dbraw/zinc/85/84/32/409858432.db2.gz QFSZLCQQMPXBPC-FBFNWGNUSA-N 2 0 172.272 0.250 20 0 ACADRP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+]C1 665241548 409858492 /nfs/dbraw/zinc/85/84/92/409858492.db2.gz QGGOVVWGCOOVAV-GUBZILKMSA-N 2 0 183.299 0.065 20 0 ACADRP C[C@@H](N[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]1 665241300 409858621 /nfs/dbraw/zinc/85/86/21/409858621.db2.gz HUTWZPZWWUNTHN-UTLUCORTSA-N 2 0 183.299 0.078 20 0 ACADRP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCOC1 665243438 409858674 /nfs/dbraw/zinc/85/86/74/409858674.db2.gz FQDAWUSJZKTUAI-OUAUKWLOSA-N 2 0 198.310 0.753 20 0 ACADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C/C=C\CO 665239262 409858710 /nfs/dbraw/zinc/85/87/10/409858710.db2.gz PKMRARQLFOWNFV-KWKBKKAHSA-N 2 0 198.310 0.785 20 0 ACADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C/C=C/CO 665238668 409858736 /nfs/dbraw/zinc/85/87/36/409858736.db2.gz ACNMJPYSDJZJRP-NTYHVHHESA-N 2 0 198.310 0.513 20 0 ACADRP CC[N@H+](CCOCC[NH3+])C1CCC1 379635328 409859213 /nfs/dbraw/zinc/85/92/13/409859213.db2.gz QQSBLKHPITWFFA-UHFFFAOYSA-N 2 0 186.299 0.836 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)NCC1([NH3+])CCCC1 665246671 409859440 /nfs/dbraw/zinc/85/94/40/409859440.db2.gz KYEHJNYPYMGXCK-VHSXEESVSA-N 2 0 199.342 0.973 20 0 ACADRP [NH3+][C@H]1CCC[C@@H]1NCC1([NH3+])CCCC1 665246816 409859451 /nfs/dbraw/zinc/85/94/51/409859451.db2.gz OTMNMDRORKQKBA-UWVGGRQHSA-N 2 0 197.326 0.727 20 0 ACADRP CO[C@@H](C)C[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 665244356 409859539 /nfs/dbraw/zinc/85/95/39/409859539.db2.gz LPLNUZVOVDYUMU-GKDVJIACSA-N 2 0 198.310 0.894 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] 665244353 409859557 /nfs/dbraw/zinc/85/95/57/409859557.db2.gz LNCFIPZOLUBVTL-LPEHRKFASA-N 2 0 186.299 0.738 20 0 ACADRP C[NH2+]CCCN1C[C@@H](C[NH3+])C[C@H]1C 379629087 409859573 /nfs/dbraw/zinc/85/95/73/409859573.db2.gz LWAXQCOWDUUDQG-NXEZZACHSA-N 3 0 185.315 0.265 20 0 ACADRP CC[C@@H](O)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 665262137 409859762 /nfs/dbraw/zinc/85/97/62/409859762.db2.gz VBSOHZOMOREJDK-LPEHRKFASA-N 2 0 186.299 0.617 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 665243978 409859807 /nfs/dbraw/zinc/85/98/07/409859807.db2.gz CGYIVSCLQPEJJW-VGMNWLOBSA-N 2 0 174.288 0.737 20 0 ACADRP C[C@@H](NCC1([NH3+])CCCC1)C1C[NH2+]C1 665246639 409859905 /nfs/dbraw/zinc/85/99/05/409859905.db2.gz KFGJAJNIUGRKAD-SECBINFHSA-N 2 0 197.326 0.455 20 0 ACADRP C[NH2+]CCCN1C[C@H](C[NH3+])C[C@H]1C 379629093 409860027 /nfs/dbraw/zinc/86/00/27/409860027.db2.gz LWAXQCOWDUUDQG-ZJUUUORDSA-N 3 0 185.315 0.265 20 0 ACADRP CC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1C[NH3+] 665261505 409860139 /nfs/dbraw/zinc/86/01/39/409860139.db2.gz DUNFTZPECCJVMO-AEJSXWLSSA-N 2 0 186.299 0.474 20 0 ACADRP CO[C@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 665245926 409860231 /nfs/dbraw/zinc/86/02/31/409860231.db2.gz VAFULEIDEHDBEK-HTQZYQBOSA-N 2 0 172.272 0.219 20 0 ACADRP CC(C)OCC[NH2+]CC1([NH3+])CCC1 379620692 409860331 /nfs/dbraw/zinc/86/03/31/409860331.db2.gz FAAMQXXRTAHLEZ-UHFFFAOYSA-N 2 0 186.299 0.882 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 665244018 409860422 /nfs/dbraw/zinc/86/04/22/409860422.db2.gz DYUQAPCCSWHUCS-DJLDLDEBSA-N 2 0 172.272 0.491 20 0 ACADRP CC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 665262163 409860447 /nfs/dbraw/zinc/86/04/47/409860447.db2.gz VOQILNZGAIVAJE-VGMNWLOBSA-N 2 0 172.272 0.227 20 0 ACADRP CO[C@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 665245230 409860602 /nfs/dbraw/zinc/86/06/02/409860602.db2.gz CGYIVSCLQPEJJW-IWSPIJDZSA-N 2 0 174.288 0.737 20 0 ACADRP C[NH2+]CCCN1C[C@H](C[NH3+])C[C@@H]1C 379629088 409860606 /nfs/dbraw/zinc/86/06/06/409860606.db2.gz LWAXQCOWDUUDQG-UWVGGRQHSA-N 3 0 185.315 0.265 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] 665261506 409860693 /nfs/dbraw/zinc/86/06/93/409860693.db2.gz DUNFTZPECCJVMO-IVZWLZJFSA-N 2 0 186.299 0.474 20 0 ACADRP CO[C@H](C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 665245301 409860736 /nfs/dbraw/zinc/86/07/36/409860736.db2.gz DYUQAPCCSWHUCS-HLTSFMKQSA-N 2 0 172.272 0.491 20 0 ACADRP C[C@H](NCC1([NH3+])CCCC1)C1C[NH2+]C1 665246640 409860760 /nfs/dbraw/zinc/86/07/60/409860760.db2.gz KFGJAJNIUGRKAD-VIFPVBQESA-N 2 0 197.326 0.455 20 0 ACADRP CC[C@@H](O)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 665261990 409860814 /nfs/dbraw/zinc/86/08/14/409860814.db2.gz QFIJOJPXZTYWCY-IWSPIJDZSA-N 2 0 174.288 0.473 20 0 ACADRP C[NH2+]CCCN1C[C@@H](C[NH3+])C[C@@H]1C 379629090 409860857 /nfs/dbraw/zinc/86/08/57/409860857.db2.gz LWAXQCOWDUUDQG-VHSXEESVSA-N 3 0 185.315 0.265 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 665244727 409860864 /nfs/dbraw/zinc/86/08/64/409860864.db2.gz VAFULEIDEHDBEK-YUMQZZPRSA-N 2 0 172.272 0.219 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 665243979 409860920 /nfs/dbraw/zinc/86/09/20/409860920.db2.gz CGYIVSCLQPEJJW-YIZRAAEISA-N 2 0 174.288 0.737 20 0 ACADRP C[NH2+]CCCN(C)[C@H](C[NH3+])C1CC1 379632284 409860966 /nfs/dbraw/zinc/86/09/66/409860966.db2.gz OUBIOHNEFWZBOK-SNVBAGLBSA-N 2 0 185.315 0.265 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]1[NH3+] 665244020 409861034 /nfs/dbraw/zinc/86/10/34/409861034.db2.gz DYUQAPCCSWHUCS-YIZRAAEISA-N 2 0 172.272 0.491 20 0 ACADRP CO[C@H](C)C[NH2+][C@@H](C)C1C[NH2+]C1 665245927 409861056 /nfs/dbraw/zinc/86/10/56/409861056.db2.gz VAFULEIDEHDBEK-SFYZADRCSA-N 2 0 172.272 0.219 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 665244017 409861133 /nfs/dbraw/zinc/86/11/33/409861133.db2.gz DYUQAPCCSWHUCS-CIUDSAMLSA-N 2 0 172.272 0.491 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH3+])CCCC1 665246669 409861182 /nfs/dbraw/zinc/86/11/82/409861182.db2.gz KYEHJNYPYMGXCK-NXEZZACHSA-N 2 0 199.342 0.973 20 0 ACADRP CO[C@H](C)C[NH2+][C@H]1CCC[C@@H]1[NH3+] 665245304 409861198 /nfs/dbraw/zinc/86/11/98/409861198.db2.gz DYUQAPCCSWHUCS-VGMNWLOBSA-N 2 0 172.272 0.491 20 0 ACADRP C[NH2+]CCCN(C)[C@@H](C[NH3+])C1CC1 379632283 409861204 /nfs/dbraw/zinc/86/12/04/409861204.db2.gz OUBIOHNEFWZBOK-JTQLQIEISA-N 2 0 185.315 0.265 20 0 ACADRP CC[C@@H](O)C[NH2+][C@H](C)C[C@H](C)[NH3+] 665261988 409861290 /nfs/dbraw/zinc/86/12/90/409861290.db2.gz QFIJOJPXZTYWCY-DJLDLDEBSA-N 2 0 174.288 0.473 20 0 ACADRP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CC[N@@H+]1C 665243714 409861326 /nfs/dbraw/zinc/86/13/26/409861326.db2.gz SQHKFRVWXQRKJA-DCAQKATOSA-N 2 0 197.326 0.421 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H](C)C1C[NH2+]C1 665244726 409861344 /nfs/dbraw/zinc/86/13/44/409861344.db2.gz VAFULEIDEHDBEK-JGVFFNPUSA-N 2 0 172.272 0.219 20 0 ACADRP CO[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 665245229 409861485 /nfs/dbraw/zinc/86/14/85/409861485.db2.gz CGYIVSCLQPEJJW-HRDYMLBCSA-N 2 0 174.288 0.737 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] 665244352 409861501 /nfs/dbraw/zinc/86/15/01/409861501.db2.gz LNCFIPZOLUBVTL-GUBZILKMSA-N 2 0 186.299 0.738 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 665261989 409861676 /nfs/dbraw/zinc/86/16/76/409861676.db2.gz QFIJOJPXZTYWCY-HRDYMLBCSA-N 2 0 174.288 0.473 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCC1([NH3+])CCCC1 665246672 409861836 /nfs/dbraw/zinc/86/18/36/409861836.db2.gz KYEHJNYPYMGXCK-ZJUUUORDSA-N 2 0 199.342 0.973 20 0 ACADRP [NH3+][C@H]1CCC[C@H]1NCC1([NH3+])CCCC1 665246817 409861942 /nfs/dbraw/zinc/86/19/42/409861942.db2.gz OTMNMDRORKQKBA-VHSXEESVSA-N 2 0 197.326 0.727 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 665244019 409862076 /nfs/dbraw/zinc/86/20/76/409862076.db2.gz DYUQAPCCSWHUCS-XHNCKOQMSA-N 2 0 172.272 0.491 20 0 ACADRP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)CC[N@@H+]1C 665243713 409862121 /nfs/dbraw/zinc/86/21/21/409862121.db2.gz SQHKFRVWXQRKJA-AXFHLTTASA-N 2 0 197.326 0.421 20 0 ACADRP CO[C@H](C)C[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 665245529 409862163 /nfs/dbraw/zinc/86/21/63/409862163.db2.gz LPLNUZVOVDYUMU-NFLHVTIKSA-N 2 0 198.310 0.894 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 665262162 409862392 /nfs/dbraw/zinc/86/23/92/409862392.db2.gz VOQILNZGAIVAJE-IWSPIJDZSA-N 2 0 172.272 0.227 20 0 ACADRP CC[C@@H](O)C[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 665262135 409862337 /nfs/dbraw/zinc/86/23/37/409862337.db2.gz UZPUPTNHWQIMFP-KJLIAQIISA-N 2 0 198.310 0.630 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 665244278 409862353 /nfs/dbraw/zinc/86/23/53/409862353.db2.gz KFUHJCZQJMPMLX-LPEHRKFASA-N 2 0 186.299 0.881 20 0 ACADRP CO[C@@H](C)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 665243976 409862420 /nfs/dbraw/zinc/86/24/20/409862420.db2.gz CGYIVSCLQPEJJW-CIUDSAMLSA-N 2 0 174.288 0.737 20 0 ACADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 665245302 409862444 /nfs/dbraw/zinc/86/24/44/409862444.db2.gz DYUQAPCCSWHUCS-HRDYMLBCSA-N 2 0 172.272 0.491 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 665261991 409862526 /nfs/dbraw/zinc/86/25/26/409862526.db2.gz QFIJOJPXZTYWCY-XHNCKOQMSA-N 2 0 174.288 0.473 20 0 ACADRP [NH3+]C1(CNC[C@H]2CC[NH2+]C2)CCC1 379654294 409862611 /nfs/dbraw/zinc/86/26/11/409862611.db2.gz IUCQAHDBZYYJHF-VIFPVBQESA-N 2 0 183.299 0.067 20 0 ACADRP [NH3+][C@@H]1CCC[C@@H]1NCC1([NH3+])CCCC1 665246818 409862702 /nfs/dbraw/zinc/86/27/02/409862702.db2.gz OTMNMDRORKQKBA-ZJUUUORDSA-N 2 0 197.326 0.727 20 0 ACADRP CO[C@H](C)C[NH2+][C@H](C)C[C@H](C)[NH3+] 665245228 409862737 /nfs/dbraw/zinc/86/27/37/409862737.db2.gz CGYIVSCLQPEJJW-DJLDLDEBSA-N 2 0 174.288 0.737 20 0 ACADRP COCC[C@H](C)[NH2+]CC1([NH3+])CCC1 379647590 409862740 /nfs/dbraw/zinc/86/27/40/409862740.db2.gz ZQJGNQNHKHIVQA-VIFPVBQESA-N 2 0 186.299 0.882 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 665243977 409862833 /nfs/dbraw/zinc/86/28/33/409862833.db2.gz CGYIVSCLQPEJJW-HLTSFMKQSA-N 2 0 174.288 0.737 20 0 ACADRP COCC[C@@H](C)[NH2+]CC1([NH3+])CCC1 379647589 409862903 /nfs/dbraw/zinc/86/29/03/409862903.db2.gz ZQJGNQNHKHIVQA-SECBINFHSA-N 2 0 186.299 0.882 20 0 ACADRP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[NH3+] 665245303 409862906 /nfs/dbraw/zinc/86/29/06/409862906.db2.gz DYUQAPCCSWHUCS-IWSPIJDZSA-N 2 0 172.272 0.491 20 0 ACADRP [NH3+]C1(CNC[C@@H]2CC[NH2+]C2)CCC1 379654291 409862949 /nfs/dbraw/zinc/86/29/49/409862949.db2.gz IUCQAHDBZYYJHF-SECBINFHSA-N 2 0 183.299 0.067 20 0 ACADRP [NH3+][C@@H]1CCC[C@H]1NCC1([NH3+])CCCC1 665246815 409863025 /nfs/dbraw/zinc/86/30/25/409863025.db2.gz OTMNMDRORKQKBA-NXEZZACHSA-N 2 0 197.326 0.727 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 665262161 409863064 /nfs/dbraw/zinc/86/30/64/409863064.db2.gz VOQILNZGAIVAJE-HRDYMLBCSA-N 2 0 172.272 0.227 20 0 ACADRP C[C@@H](CC(N)=O)[NH2+]CC1([NH3+])CCCC1 665248897 409863102 /nfs/dbraw/zinc/86/31/02/409863102.db2.gz FKRPGPVSJBYRNI-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)NCC1([NH3+])CCCC1 665246670 409863118 /nfs/dbraw/zinc/86/31/18/409863118.db2.gz KYEHJNYPYMGXCK-UWVGGRQHSA-N 2 0 199.342 0.973 20 0 ACADRP CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 665244277 409863156 /nfs/dbraw/zinc/86/31/56/409863156.db2.gz KFUHJCZQJMPMLX-GUBZILKMSA-N 2 0 186.299 0.881 20 0 ACADRP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 665262136 409863167 /nfs/dbraw/zinc/86/31/67/409863167.db2.gz VBSOHZOMOREJDK-IVZWLZJFSA-N 2 0 186.299 0.617 20 0 ACADRP C[N@H+](CCC[NH3+])CCOCC(F)F 379661473 409863208 /nfs/dbraw/zinc/86/32/08/409863208.db2.gz QGONOHTWPULCGG-UHFFFAOYSA-N 2 0 196.241 0.549 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H]([NH2+]C)C1 379657388 409863584 /nfs/dbraw/zinc/86/35/84/409863584.db2.gz MJOAXBWFNCDHFO-SNVBAGLBSA-N 2 0 185.315 0.280 20 0 ACADRP C[NH2+]CCCN[C@](C)(C[NH3+])C1CC1 379650535 409863596 /nfs/dbraw/zinc/86/35/96/409863596.db2.gz FCFPJHAZLHMLJO-SNVBAGLBSA-N 2 0 185.315 0.313 20 0 ACADRP C[NH2+]CCCN1CCC[C@H]([NH2+]C)C1 379657387 409863795 /nfs/dbraw/zinc/86/37/95/409863795.db2.gz MJOAXBWFNCDHFO-JTQLQIEISA-N 2 0 185.315 0.280 20 0 ACADRP C[NH2+]CCCN[C@@](C)(C[NH3+])C1CC1 379650534 409864003 /nfs/dbraw/zinc/86/40/03/409864003.db2.gz FCFPJHAZLHMLJO-JTQLQIEISA-N 2 0 185.315 0.313 20 0 ACADRP CC(C)[C@](C)(C[NH3+])NC[C@@H]1CC[NH2+]C1 379817623 409865572 /nfs/dbraw/zinc/86/55/72/409865572.db2.gz SAICUCUYEKURRX-MNOVXSKESA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@](C)(C[NH3+])NC[C@H]1CC[NH2+]C1 379817624 409867156 /nfs/dbraw/zinc/86/71/56/409867156.db2.gz SAICUCUYEKURRX-QWRGUYRKSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)[C@@](C)(C[NH3+])NC[C@H]1CC[NH2+]C1 379817630 409867236 /nfs/dbraw/zinc/86/72/36/409867236.db2.gz SAICUCUYEKURRX-WDEREUQCSA-N 2 0 199.342 0.559 20 0 ACADRP CC(C)([NH3+])CNC(=O)CC1([NH3+])CCC1 379803915 409867269 /nfs/dbraw/zinc/86/72/69/409867269.db2.gz NFAQWEBKXOTLFG-UHFFFAOYSA-N 2 0 199.298 0.111 20 0 ACADRP COCCCC[NH2+]CC1([NH3+])CCC1 379667396 409867382 /nfs/dbraw/zinc/86/73/82/409867382.db2.gz YMSKGLWOIRGEEB-UHFFFAOYSA-N 2 0 186.299 0.884 20 0 ACADRP CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CC[NH2+]C1 379817614 409867684 /nfs/dbraw/zinc/86/76/84/409867684.db2.gz SAICUCUYEKURRX-GHMZBOCLSA-N 2 0 199.342 0.559 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 665295236 409868114 /nfs/dbraw/zinc/86/81/14/409868114.db2.gz APVUQNPKRMWYNL-AEJSXWLSSA-N 2 0 186.299 0.751 20 0 ACADRP C[NH2+]CCC[NH+]1CCC(C[NH2+]C)CC1 379974098 409868517 /nfs/dbraw/zinc/86/85/17/409868517.db2.gz CQHLZYYQTLNXPG-UHFFFAOYSA-N 3 0 199.342 0.527 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 665295239 409868528 /nfs/dbraw/zinc/86/85/28/409868528.db2.gz APVUQNPKRMWYNL-LPEHRKFASA-N 2 0 186.299 0.751 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@]2(CCOC2)C1 380027848 409868879 /nfs/dbraw/zinc/86/88/79/409868879.db2.gz ZFSNRFYCWDLAII-NSHDSACASA-N 2 0 198.310 0.708 20 0 ACADRP CCCN(CCC[NH2+]C)[C@@H]1CC[NH2+]C1 379976907 409869091 /nfs/dbraw/zinc/86/90/91/409869091.db2.gz DYRGCANMARGKRC-LLVKDONJSA-N 2 0 199.342 0.670 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 665295238 409869340 /nfs/dbraw/zinc/86/93/40/409869340.db2.gz APVUQNPKRMWYNL-IVZWLZJFSA-N 2 0 186.299 0.751 20 0 ACADRP CC(C)([NH3+])CC(=O)N1CCC[C@@H]1C[NH3+] 379977377 409869478 /nfs/dbraw/zinc/86/94/78/409869478.db2.gz QZFNRNZXCOKVDN-MRVPVSSYSA-N 2 0 199.298 0.064 20 0 ACADRP CCCN(CCC[NH2+]C)[C@H]1CC[NH2+]C1 379976908 409869531 /nfs/dbraw/zinc/86/95/31/409869531.db2.gz DYRGCANMARGKRC-NSHDSACASA-N 2 0 199.342 0.670 20 0 ACADRP C[C@H](CC[NH3+])NC(=O)C1([NH3+])CCCC1 379961913 409869787 /nfs/dbraw/zinc/86/97/87/409869787.db2.gz HEFVXAYUKNDIHU-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP C[NH2+]C[C@H]1CCCN(CC(C)(C)[NH3+])C1 380039959 409869837 /nfs/dbraw/zinc/86/98/37/409869837.db2.gz UAAJHQSLQDQNEH-SNVBAGLBSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 665295237 409870039 /nfs/dbraw/zinc/87/00/39/409870039.db2.gz APVUQNPKRMWYNL-GUBZILKMSA-N 2 0 186.299 0.751 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@@]2(CCOC2)C1 380027842 409870192 /nfs/dbraw/zinc/87/01/92/409870192.db2.gz ZFSNRFYCWDLAII-LLVKDONJSA-N 2 0 198.310 0.708 20 0 ACADRP [NH3+]CCC(=O)NCC1([NH3+])CCCCC1 379950653 409870333 /nfs/dbraw/zinc/87/03/33/409870333.db2.gz KOKJQHCTANXHHE-UHFFFAOYSA-N 2 0 199.298 0.113 20 0 ACADRP C[NH2+]CCCN1CCC[C@H](C[NH2+]C)C1 380020704 409870514 /nfs/dbraw/zinc/87/05/14/409870514.db2.gz WHMDFZLEWUAGSL-LLVKDONJSA-N 2 0 199.342 0.527 20 0 ACADRP C[NH2+]C[C@@H]1CCCN(CC(C)(C)[NH3+])C1 380039951 409870698 /nfs/dbraw/zinc/87/06/98/409870698.db2.gz UAAJHQSLQDQNEH-JTQLQIEISA-N 2 0 199.342 0.655 20 0 ACADRP CCC[C@@H]1C[NH2+]CCN1CCC[NH2+]C 379948862 409870758 /nfs/dbraw/zinc/87/07/58/409870758.db2.gz SEHMCUKYAHYLSF-LLVKDONJSA-N 2 0 199.342 0.670 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H](C[NH2+]C)C1 380020705 409870898 /nfs/dbraw/zinc/87/08/98/409870898.db2.gz WHMDFZLEWUAGSL-NSHDSACASA-N 2 0 199.342 0.527 20 0 ACADRP CC(C)([NH3+])CC(=O)NCC1([NH3+])CCC1 379983282 409870931 /nfs/dbraw/zinc/87/09/31/409870931.db2.gz SZJGTDSTHDPBJM-UHFFFAOYSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@@H](CC[NH3+])NC(=O)C1([NH3+])CCCC1 379961918 409871137 /nfs/dbraw/zinc/87/11/37/409871137.db2.gz HEFVXAYUKNDIHU-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP CCC[C@H]1C[NH2+]CCN1CCC[NH2+]C 379948864 409871180 /nfs/dbraw/zinc/87/11/80/409871180.db2.gz SEHMCUKYAHYLSF-NSHDSACASA-N 2 0 199.342 0.670 20 0 ACADRP CC1(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)CCC1 379927797 409871265 /nfs/dbraw/zinc/87/12/65/409871265.db2.gz MMWCAYCJFPMWSY-NXEZZACHSA-N 2 0 198.310 0.347 20 0 ACADRP CNC[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 665297792 409871356 /nfs/dbraw/zinc/87/13/56/409871356.db2.gz LRDYZPPFUFPYFJ-UWVGGRQHSA-N 2 0 187.331 0.701 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@@H](C)[C@H]1CCCC[NH2+]1 665297827 409871520 /nfs/dbraw/zinc/87/15/20/409871520.db2.gz MIDDKNZFRYRESL-OUAUKWLOSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] 665297459 409871609 /nfs/dbraw/zinc/87/16/09/409871609.db2.gz GEUSJCPXLJKVSC-GARJFASQSA-N 2 0 199.342 0.844 20 0 ACADRP CCC([NH3+])(CC)CNC(=O)C1([NH3+])CC1 380077246 409871641 /nfs/dbraw/zinc/87/16/41/409871641.db2.gz FRUZIPWWTCVFBA-UHFFFAOYSA-N 2 0 199.298 0.111 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CCCC[NH2+]1 665297821 409871661 /nfs/dbraw/zinc/87/16/61/409871661.db2.gz MIDDKNZFRYRESL-AXFHLTTASA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]CCCN1CCC[C@H]([C@@H](C)[NH3+])C1 380089535 409871682 /nfs/dbraw/zinc/87/16/82/409871682.db2.gz ILLBLUNGYMJVKZ-MNOVXSKESA-N 2 0 199.342 0.655 20 0 ACADRP CNC[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 665297794 409871685 /nfs/dbraw/zinc/87/16/85/409871685.db2.gz LRDYZPPFUFPYFJ-ZJUUUORDSA-N 2 0 187.331 0.701 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C 665297323 409871743 /nfs/dbraw/zinc/87/17/43/409871743.db2.gz DECXERDTRLVCCW-LPEHRKFASA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 380089534 409871910 /nfs/dbraw/zinc/87/19/10/409871910.db2.gz ILLBLUNGYMJVKZ-GHMZBOCLSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@H](C)[C@H]1CCCC[NH2+]1 665297824 409871932 /nfs/dbraw/zinc/87/19/32/409871932.db2.gz MIDDKNZFRYRESL-GMTAPVOTSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 665295633 409871978 /nfs/dbraw/zinc/87/19/78/409871978.db2.gz GUSTZVCWXVZICD-AXFHLTTASA-N 2 0 199.342 0.667 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H]([C@H](C)[NH3+])C1 380089540 409872127 /nfs/dbraw/zinc/87/21/27/409872127.db2.gz ILLBLUNGYMJVKZ-WDEREUQCSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@H](C)[C@@H]1CCCC[NH2+]1 665297826 409872251 /nfs/dbraw/zinc/87/22/51/409872251.db2.gz MIDDKNZFRYRESL-MXWKQRLJSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]CCCN1CCC[C@H]([C@H](C)[NH3+])C1 380089539 409872253 /nfs/dbraw/zinc/87/22/53/409872253.db2.gz ILLBLUNGYMJVKZ-QWRGUYRKSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 665295374 409872355 /nfs/dbraw/zinc/87/23/55/409872355.db2.gz CLSVJBIESKCLFN-IVZWLZJFSA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 665295635 409872487 /nfs/dbraw/zinc/87/24/87/409872487.db2.gz GUSTZVCWXVZICD-GARJFASQSA-N 2 0 199.342 0.667 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CCCC[NH2+]1 665297825 409872546 /nfs/dbraw/zinc/87/25/46/409872546.db2.gz MIDDKNZFRYRESL-HBNTYKKESA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCCCC[C@H]1[NH3+] 665297457 409872594 /nfs/dbraw/zinc/87/25/94/409872594.db2.gz GEUSJCPXLJKVSC-AXFHLTTASA-N 2 0 199.342 0.844 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C 665297321 409872694 /nfs/dbraw/zinc/87/26/94/409872694.db2.gz DECXERDTRLVCCW-GUBZILKMSA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCCCC[C@@H]1[NH3+] 665297458 409872819 /nfs/dbraw/zinc/87/28/19/409872819.db2.gz GEUSJCPXLJKVSC-DCAQKATOSA-N 2 0 199.342 0.844 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 665295636 409873981 /nfs/dbraw/zinc/87/39/81/409873981.db2.gz GUSTZVCWXVZICD-HBNTYKKESA-N 2 0 199.342 0.667 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 665295373 409872850 /nfs/dbraw/zinc/87/28/50/409872850.db2.gz CLSVJBIESKCLFN-GUBZILKMSA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 665295375 409873211 /nfs/dbraw/zinc/87/32/11/409873211.db2.gz CLSVJBIESKCLFN-LPEHRKFASA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@H]1CCOC[C@H]1C 665297324 409873238 /nfs/dbraw/zinc/87/32/38/409873238.db2.gz DECXERDTRLVCCW-UTLUCORTSA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H](C)[C@@H]1CCCC[NH2+]1 665297822 409873373 /nfs/dbraw/zinc/87/33/73/409873373.db2.gz MIDDKNZFRYRESL-DCAQKATOSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 665295372 409873543 /nfs/dbraw/zinc/87/35/43/409873543.db2.gz CLSVJBIESKCLFN-AEJSXWLSSA-N 2 0 186.299 0.609 20 0 ACADRP CNC[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 665297793 409873619 /nfs/dbraw/zinc/87/36/19/409873619.db2.gz LRDYZPPFUFPYFJ-VHSXEESVSA-N 2 0 187.331 0.701 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 380263932 409873683 /nfs/dbraw/zinc/87/36/83/409873683.db2.gz SQBYFPPIPNICCS-GXSJLCMTSA-N 2 0 197.326 0.265 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 665295634 409873799 /nfs/dbraw/zinc/87/37/99/409873799.db2.gz GUSTZVCWXVZICD-DCAQKATOSA-N 2 0 199.342 0.667 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H](C)[C@H]1CCCC[NH2+]1 665297823 409873815 /nfs/dbraw/zinc/87/38/15/409873815.db2.gz MIDDKNZFRYRESL-GARJFASQSA-N 2 0 199.342 0.715 20 0 ACADRP [NH3+]CCN1CCC([NH2+]CC2CC2)CC1 380187398 409874084 /nfs/dbraw/zinc/87/40/84/409874084.db2.gz GYZJVOXBFSGQEE-UHFFFAOYSA-N 2 0 197.326 0.409 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@@H](C)[C@@H]1CCCC[NH2+]1 665297828 409874126 /nfs/dbraw/zinc/87/41/26/409874126.db2.gz MIDDKNZFRYRESL-VWYCJHECSA-N 2 0 199.342 0.715 20 0 ACADRP CC[NH2+]CC1CCN(C[C@@H](C)[NH3+])CC1 380224203 409874187 /nfs/dbraw/zinc/87/41/87/409874187.db2.gz JXPSTURINSTYSZ-SNVBAGLBSA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C 665297322 409874355 /nfs/dbraw/zinc/87/43/55/409874355.db2.gz DECXERDTRLVCCW-KXUCPTDWSA-N 2 0 186.299 0.609 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCCCC[C@H]1[NH3+] 665297460 409874396 /nfs/dbraw/zinc/87/43/96/409874396.db2.gz GEUSJCPXLJKVSC-HBNTYKKESA-N 2 0 199.342 0.844 20 0 ACADRP CNC[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 665297791 409874427 /nfs/dbraw/zinc/87/44/27/409874427.db2.gz LRDYZPPFUFPYFJ-NXEZZACHSA-N 2 0 187.331 0.701 20 0 ACADRP CN(C[C@@H]1CC[NH2+]C1)[C@H](C[NH3+])C1CC1 380263943 409874546 /nfs/dbraw/zinc/87/45/46/409874546.db2.gz SQBYFPPIPNICCS-MWLCHTKSSA-N 2 0 197.326 0.265 20 0 ACADRP CC[NH2+]CC1CCN(C[C@H](C)[NH3+])CC1 380224202 409874566 /nfs/dbraw/zinc/87/45/66/409874566.db2.gz JXPSTURINSTYSZ-JTQLQIEISA-N 2 0 199.342 0.655 20 0 ACADRP CN(C[C@@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 380263942 409874637 /nfs/dbraw/zinc/87/46/37/409874637.db2.gz SQBYFPPIPNICCS-KOLCDFICSA-N 2 0 197.326 0.265 20 0 ACADRP [NH3+]CCC(=O)N1CCCC[C@@H]1CC[NH3+] 380274466 409874801 /nfs/dbraw/zinc/87/48/01/409874801.db2.gz XGRSIBBKQMBJFM-SECBINFHSA-N 2 0 199.298 0.065 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] 665298868 409874926 /nfs/dbraw/zinc/87/49/26/409874926.db2.gz BCIMNOMKFONMHD-CIUDSAMLSA-N 2 0 173.304 0.310 20 0 ACADRP C[C@@H](CN)[N@H+](C)CCC1CC[NH2+]CC1 380228752 409874960 /nfs/dbraw/zinc/87/49/60/409874960.db2.gz KVOYUZBPFMKYCJ-JTQLQIEISA-N 2 0 199.342 0.655 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] 665299083 409875071 /nfs/dbraw/zinc/87/50/71/409875071.db2.gz FWTHDHHXVGDTPL-AXFHLTTASA-N 2 0 199.342 0.701 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] 665298870 409875108 /nfs/dbraw/zinc/87/51/08/409875108.db2.gz BCIMNOMKFONMHD-VGMNWLOBSA-N 2 0 173.304 0.310 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 665298650 409875192 /nfs/dbraw/zinc/87/51/92/409875192.db2.gz ZKVNKOCNLMUHOA-IVZWLZJFSA-N 2 0 185.315 0.324 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 665298647 409875241 /nfs/dbraw/zinc/87/52/41/409875241.db2.gz ZKVNKOCNLMUHOA-AEJSXWLSSA-N 2 0 185.315 0.324 20 0 ACADRP CN(C[C@H]1CC[NH2+]C1)[C@@H](C[NH3+])C1CC1 380263944 409875245 /nfs/dbraw/zinc/87/52/45/409875245.db2.gz SQBYFPPIPNICCS-ONGXEEELSA-N 2 0 197.326 0.265 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@H](C)[C@@H]1CCC[NH2+]1 665298648 409875786 /nfs/dbraw/zinc/87/57/86/409875786.db2.gz ZKVNKOCNLMUHOA-BBBLOLIVSA-N 2 0 185.315 0.324 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 665298651 409875443 /nfs/dbraw/zinc/87/54/43/409875443.db2.gz ZKVNKOCNLMUHOA-KXUCPTDWSA-N 2 0 185.315 0.324 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] 665299089 409875449 /nfs/dbraw/zinc/87/54/49/409875449.db2.gz FWUWBWXFWWVDFO-XHNCKOQMSA-N 2 0 171.288 0.064 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 665298654 409875566 /nfs/dbraw/zinc/87/55/66/409875566.db2.gz ZKVNKOCNLMUHOA-UTLUCORTSA-N 2 0 185.315 0.324 20 0 ACADRP CC[C@@H](N[C@@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 665298617 409875596 /nfs/dbraw/zinc/87/55/96/409875596.db2.gz ZDJBXYXUTNFVQD-AXFHLTTASA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C 665298035 409875602 /nfs/dbraw/zinc/87/56/02/409875602.db2.gz QUDMNVDKDXXKCA-KXUCPTDWSA-N 2 0 185.315 0.182 20 0 ACADRP C[NH2+]C[C@@H](C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 665300014 409875647 /nfs/dbraw/zinc/87/56/47/409875647.db2.gz WLZLLUILXMFSNK-NFLHVTIKSA-N 2 0 197.326 0.467 20 0 ACADRP [NH3+]CCC(=O)N1CCCC[C@H]1CC[NH3+] 380274474 409875723 /nfs/dbraw/zinc/87/57/23/409875723.db2.gz XGRSIBBKQMBJFM-VIFPVBQESA-N 2 0 199.298 0.065 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCOCCF 665299891 409875740 /nfs/dbraw/zinc/87/57/40/409875740.db2.gz VCQXQSWCSUHIJZ-RKDXNWHRSA-N 2 0 192.278 0.688 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] 665298875 409875810 /nfs/dbraw/zinc/87/58/10/409875810.db2.gz BJNIQOVCBJWWAH-AEJSXWLSSA-N 2 0 185.315 0.311 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] 665298869 409875822 /nfs/dbraw/zinc/87/58/22/409875822.db2.gz BCIMNOMKFONMHD-HLTSFMKQSA-N 2 0 173.304 0.310 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] 665298878 409875859 /nfs/dbraw/zinc/87/58/59/409875859.db2.gz BJNIQOVCBJWWAH-LPEHRKFASA-N 2 0 185.315 0.311 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] 665299086 409875922 /nfs/dbraw/zinc/87/59/22/409875922.db2.gz FWTHDHHXVGDTPL-HBNTYKKESA-N 2 0 199.342 0.701 20 0 ACADRP C[C@H](CN)[N@H+](C)CCC1CC[NH2+]CC1 380228755 409875931 /nfs/dbraw/zinc/87/59/31/409875931.db2.gz KVOYUZBPFMKYCJ-SNVBAGLBSA-N 2 0 199.342 0.655 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCOCCF 665299889 409875949 /nfs/dbraw/zinc/87/59/49/409875949.db2.gz VCQXQSWCSUHIJZ-DTWKUNHWSA-N 2 0 192.278 0.688 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] 665298877 409875981 /nfs/dbraw/zinc/87/59/81/409875981.db2.gz BJNIQOVCBJWWAH-IVZWLZJFSA-N 2 0 185.315 0.311 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]CC[C@@H]1C 665298449 409875990 /nfs/dbraw/zinc/87/59/90/409875990.db2.gz WKEQERVIUISJCQ-DCAQKATOSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] 665299085 409876067 /nfs/dbraw/zinc/87/60/67/409876067.db2.gz FWTHDHHXVGDTPL-GARJFASQSA-N 2 0 199.342 0.701 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1C 665298036 409876091 /nfs/dbraw/zinc/87/60/91/409876091.db2.gz QUDMNVDKDXXKCA-LPEHRKFASA-N 2 0 185.315 0.182 20 0 ACADRP CC[C@H](N[C@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 665298620 409876157 /nfs/dbraw/zinc/87/61/57/409876157.db2.gz ZDJBXYXUTNFVQD-VWYCJHECSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] 665298876 409876163 /nfs/dbraw/zinc/87/61/63/409876163.db2.gz BJNIQOVCBJWWAH-GUBZILKMSA-N 2 0 185.315 0.311 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1C[NH2+]CC[C@@H]1C 665298034 409876232 /nfs/dbraw/zinc/87/62/32/409876232.db2.gz QUDMNVDKDXXKCA-GUBZILKMSA-N 2 0 185.315 0.182 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 665298649 409876335 /nfs/dbraw/zinc/87/63/35/409876335.db2.gz ZKVNKOCNLMUHOA-GUBZILKMSA-N 2 0 185.315 0.324 20 0 ACADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCOCCF 665299890 409876384 /nfs/dbraw/zinc/87/63/84/409876384.db2.gz VCQXQSWCSUHIJZ-IUCAKERBSA-N 2 0 192.278 0.688 20 0 ACADRP CC[C@H](N[C@@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 665298618 409876481 /nfs/dbraw/zinc/87/64/81/409876481.db2.gz ZDJBXYXUTNFVQD-DCAQKATOSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]CC[C@@H]1C 665298450 409876548 /nfs/dbraw/zinc/87/65/48/409876548.db2.gz WKEQERVIUISJCQ-GARJFASQSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1 665298652 409876589 /nfs/dbraw/zinc/87/65/89/409876589.db2.gz ZKVNKOCNLMUHOA-LPEHRKFASA-N 2 0 185.315 0.324 20 0 ACADRP CC[C@@H](N[C@H](C)C[NH2+]C)[C@@H]1CCC[NH2+]1 665298619 409876640 /nfs/dbraw/zinc/87/66/40/409876640.db2.gz ZDJBXYXUTNFVQD-MXWKQRLJSA-N 2 0 199.342 0.715 20 0 ACADRP C[NH2+]C[C@H](C)NC1C[C@@H]2CC[C@H](C1)[NH2+]2 665300013 409876708 /nfs/dbraw/zinc/87/67/08/409876708.db2.gz WLZLLUILXMFSNK-GKDVJIACSA-N 2 0 197.326 0.467 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H](C)C[C@H](C)[NH3+] 665298871 409876766 /nfs/dbraw/zinc/87/67/66/409876766.db2.gz BCIMNOMKFONMHD-YIZRAAEISA-N 2 0 173.304 0.310 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1[NH3+] 665299090 409876829 /nfs/dbraw/zinc/87/68/29/409876829.db2.gz FWUWBWXFWWVDFO-YIZRAAEISA-N 2 0 171.288 0.064 20 0 ACADRP C[C@@H]([NH2+]CCOCCF)C1C[NH2+]C1 665299416 409876900 /nfs/dbraw/zinc/87/69/00/409876900.db2.gz MRAMITFFYJUZOV-MRVPVSSYSA-N 2 0 190.262 0.170 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1C[NH2+]CC[C@H]1C 665298037 409876953 /nfs/dbraw/zinc/87/69/53/409876953.db2.gz QUDMNVDKDXXKCA-UTLUCORTSA-N 2 0 185.315 0.182 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCOCCF 665299888 409876976 /nfs/dbraw/zinc/87/69/76/409876976.db2.gz VCQXQSWCSUHIJZ-BDAKNGLRSA-N 2 0 192.278 0.688 20 0 ACADRP C[C@H]([NH2+]CCOCCF)C1C[NH2+]C1 665299417 409877011 /nfs/dbraw/zinc/87/70/11/409877011.db2.gz MRAMITFFYJUZOV-QMMMGPOBSA-N 2 0 190.262 0.170 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] 665299084 409877041 /nfs/dbraw/zinc/87/70/41/409877041.db2.gz FWTHDHHXVGDTPL-DCAQKATOSA-N 2 0 199.342 0.701 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CC[NH2+]CC[C@H]1C 665298451 409877058 /nfs/dbraw/zinc/87/70/58/409877058.db2.gz WKEQERVIUISJCQ-OUAUKWLOSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1[NH3+] 665299087 409877074 /nfs/dbraw/zinc/87/70/74/409877074.db2.gz FWUWBWXFWWVDFO-CIUDSAMLSA-N 2 0 171.288 0.064 20 0 ACADRP C[NH2+]C[C@H](C)N[C@H]1CC[NH2+]CC[C@H]1C 665298452 409877134 /nfs/dbraw/zinc/87/71/34/409877134.db2.gz WKEQERVIUISJCQ-VWYCJHECSA-N 2 0 199.342 0.572 20 0 ACADRP C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1[NH3+] 665299088 409877191 /nfs/dbraw/zinc/87/71/91/409877191.db2.gz FWUWBWXFWWVDFO-DJLDLDEBSA-N 2 0 171.288 0.064 20 0 ACADRP C[NH2+]C[C@@H](C)N[C@H](C)[C@H]1CCC[NH2+]1 665298653 409877253 /nfs/dbraw/zinc/87/72/53/409877253.db2.gz ZKVNKOCNLMUHOA-OPRDCNLKSA-N 2 0 185.315 0.324 20 0 ACADRP C[C@H]1CC[N@H+](CCOCC[NH3+])[C@H]1C 380797907 409877699 /nfs/dbraw/zinc/87/76/99/409877699.db2.gz NSTMLPUNPFYJBF-UWVGGRQHSA-N 2 0 186.299 0.692 20 0 ACADRP [NH3+]CCCC(=O)NC1(C[NH3+])CCCC1 380330036 409878096 /nfs/dbraw/zinc/87/80/96/409878096.db2.gz NUANRIUIHBAYAR-UHFFFAOYSA-N 2 0 199.298 0.113 20 0 ACADRP C[C@@H]1CC[N@H+](CCOCC[NH3+])[C@@H]1C 380797903 409878472 /nfs/dbraw/zinc/87/84/72/409878472.db2.gz NSTMLPUNPFYJBF-NXEZZACHSA-N 2 0 186.299 0.692 20 0 ACADRP [NH3+]C1(C[NH2+]CCn2cccn2)CCC1 381151406 409878966 /nfs/dbraw/zinc/87/89/66/409878966.db2.gz PBLIXGADEZXJBX-UHFFFAOYSA-N 2 0 194.282 0.354 20 0 ACADRP C[C@@H](CC[NH3+])NC(=O)CC1([NH3+])CCC1 380331355 409879174 /nfs/dbraw/zinc/87/91/74/409879174.db2.gz OGMGYWOIDRFOHI-QMMMGPOBSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@H](CC[NH3+])NC(=O)CC1([NH3+])CCC1 380331353 409879375 /nfs/dbraw/zinc/87/93/75/409879375.db2.gz OGMGYWOIDRFOHI-MRVPVSSYSA-N 2 0 199.298 0.111 20 0 ACADRP C[C@H]1CC[N@H+](CCOCC[NH3+])[C@@H]1C 380797908 409879461 /nfs/dbraw/zinc/87/94/61/409879461.db2.gz NSTMLPUNPFYJBF-VHSXEESVSA-N 2 0 186.299 0.692 20 0 ACADRP [NH3+]CCOCC[N@@H+]1CCC2(CCC2)C1 380584796 409879518 /nfs/dbraw/zinc/87/95/18/409879518.db2.gz ZJLIATHUNFFOKQ-UHFFFAOYSA-N 2 0 198.310 0.838 20 0 ACADRP C[C@H]1[C@H](C)CC[N@@H+]1CCOCC[NH3+] 380797912 409880057 /nfs/dbraw/zinc/88/00/57/409880057.db2.gz NSTMLPUNPFYJBF-ZJUUUORDSA-N 2 0 186.299 0.692 20 0 ACADRP CN(CCC[NH3+])C[C@@H]1CCC[NH2+]C1 381559189 409880695 /nfs/dbraw/zinc/88/06/95/409880695.db2.gz COTXSBIRHRIMFP-SNVBAGLBSA-N 2 0 185.315 0.267 20 0 ACADRP CN(CCC[NH3+])C[C@H]1CCC[NH2+]C1 381559185 409881854 /nfs/dbraw/zinc/88/18/54/409881854.db2.gz COTXSBIRHRIMFP-JTQLQIEISA-N 2 0 185.315 0.267 20 0 ACADRP Cc1c[nH]nc1CN(C)CCC[NH3+] 382050345 409887190 /nfs/dbraw/zinc/88/71/90/409887190.db2.gz AUGHWOLFVKVATI-UHFFFAOYSA-N 2 0 182.271 0.499 20 0 ACADRP C[N@H+](CCOCC[NH3+])C(C)(C)C 382189592 409898759 /nfs/dbraw/zinc/89/87/59/409898759.db2.gz YTYFQUHEHREODY-UHFFFAOYSA-N 2 0 174.288 0.692 20 0 ACADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 382750239 409905868 /nfs/dbraw/zinc/90/58/68/409905868.db2.gz FGGIIECKGYLQDC-QWRGUYRKSA-N 2 0 198.310 0.564 20 0 ACADRP C[C@@H](O)CC[N@H+](C)C[C@@H]1CC[NH2+]C1 382755405 409906156 /nfs/dbraw/zinc/90/61/56/409906156.db2.gz MPZDAPGYMFPEHU-NXEZZACHSA-N 2 0 186.299 0.299 20 0 ACADRP C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CC[NH2+]C1 382750238 409906395 /nfs/dbraw/zinc/90/63/95/409906395.db2.gz FGGIIECKGYLQDC-MNOVXSKESA-N 2 0 198.310 0.564 20 0 ACADRP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 382750237 409906773 /nfs/dbraw/zinc/90/67/73/409906773.db2.gz FGGIIECKGYLQDC-GHMZBOCLSA-N 2 0 198.310 0.564 20 0 ACADRP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCOC1 382750240 409906787 /nfs/dbraw/zinc/90/67/87/409906787.db2.gz FGGIIECKGYLQDC-WDEREUQCSA-N 2 0 198.310 0.564 20 0 ACADRP CCOCCC[N@H+](C)C1CC([NH3+])C1 382835475 409906842 /nfs/dbraw/zinc/90/68/42/409906842.db2.gz CVHVZSHZYCXFHB-UHFFFAOYSA-N 2 0 186.299 0.835 20 0 ACADRP C[C@H](O)CC[N@H+](C)C[C@@H]1CC[NH2+]C1 382755408 409907159 /nfs/dbraw/zinc/90/71/59/409907159.db2.gz MPZDAPGYMFPEHU-VHSXEESVSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@@H](O)CC[N@H+](C)C[C@H]1CC[NH2+]C1 382755409 409907215 /nfs/dbraw/zinc/90/72/15/409907215.db2.gz MPZDAPGYMFPEHU-ZJUUUORDSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@H](O)CC[N@H+](C)C[C@H]1CC[NH2+]C1 382755406 409907737 /nfs/dbraw/zinc/90/77/37/409907737.db2.gz MPZDAPGYMFPEHU-UWVGGRQHSA-N 2 0 186.299 0.299 20 0 ACADRP C[C@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])[C@@H](C)O1 384705054 409909097 /nfs/dbraw/zinc/90/90/97/409909097.db2.gz FLCHGEFOMATJKY-UTINFBMNSA-N 2 0 186.299 0.737 20 0 ACADRP C[C@@H]1O[C@H](C)C[C@H]1[NH2+]C[C@H](C)C[NH3+] 384705053 409910058 /nfs/dbraw/zinc/91/00/58/409910058.db2.gz FLCHGEFOMATJKY-DOLQZWNJSA-N 2 0 186.299 0.737 20 0 ACADRP C[C@H]1C[C@@H]([NH2+]C[C@H](C)C[NH3+])[C@H](C)O1 384705055 409910657 /nfs/dbraw/zinc/91/06/57/409910657.db2.gz FLCHGEFOMATJKY-XFWSIPNHSA-N 2 0 186.299 0.737 20 0 ACADRP C[C@H](C[NH3+])C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C 384705056 409911177 /nfs/dbraw/zinc/91/11/77/409911177.db2.gz FLCHGEFOMATJKY-ZYUZMQFOSA-N 2 0 186.299 0.737 20 0 ACADRP C[N@H+](CC[C@@H]1CCCO1)C1CC([NH3+])C1 384816289 409913455 /nfs/dbraw/zinc/91/34/55/409913455.db2.gz DFERPWBKZZYOIT-ILDUYXDCSA-N 2 0 198.310 0.977 20 0 ACADRP C[N@H+](CC[C@H]1CCCO1)C1CC([NH3+])C1 384816291 409913531 /nfs/dbraw/zinc/91/35/31/409913531.db2.gz DFERPWBKZZYOIT-VQXHTEKXSA-N 2 0 198.310 0.977 20 0 ACADRP COCCCC[N@H+](C)C1CC([NH3+])C1 384883729 409916434 /nfs/dbraw/zinc/91/64/34/409916434.db2.gz RNGWJSRTVGQGGX-UHFFFAOYSA-N 2 0 186.299 0.835 20 0 ACADRP C[N@H+](CCn1cccn1)C1CC([NH3+])C1 384894398 409919234 /nfs/dbraw/zinc/91/92/34/409919234.db2.gz UUTPWVAIKBBLJD-UHFFFAOYSA-N 2 0 194.282 0.305 20 0 ACADRP CC[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)OC 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/nfs/dbraw/zinc/95/12/86/409951286.db2.gz VLSQJVAMVQPUIH-BDAKNGLRSA-N 2 0 171.288 0.017 20 0 ACADRP C[NH2+]C[C@H]1CCCN1C[C@@H](C)[NH3+] 388317065 409952767 /nfs/dbraw/zinc/95/27/67/409952767.db2.gz VLSQJVAMVQPUIH-RKDXNWHRSA-N 2 0 171.288 0.017 20 0 ACADRP CN(CCC[NH3+])CC(C)(C)[NH3+] 388421982 409954623 /nfs/dbraw/zinc/95/46/23/409954623.db2.gz IEPLSIKTVUXWJG-UHFFFAOYSA-N 3 0 159.277 0.004 20 0 ACADRP CCN(CCO)CC(C)(C)[NH3+] 388505261 409957326 /nfs/dbraw/zinc/95/73/26/409957326.db2.gz OFWJOKJLBKSZJD-UHFFFAOYSA-N 2 0 160.261 0.038 20 0 ACADRP C[NH2+]CCCN1CCC[C@@H]1C[NH2+]C 388724832 409959863 /nfs/dbraw/zinc/95/98/63/409959863.db2.gz AIPAVDCATPFAPK-SNVBAGLBSA-N 2 0 185.315 0.280 20 0 ACADRP C[NH2+]CCCN1CCC[C@H]1C[NH2+]C 388724830 409960785 /nfs/dbraw/zinc/96/07/85/409960785.db2.gz AIPAVDCATPFAPK-JTQLQIEISA-N 2 0 185.315 0.280 20 0 ACADRP C[NH2+]CCCN[C@@](C)(C[NH3+])C(C)C 389200432 409965107 /nfs/dbraw/zinc/96/51/07/409965107.db2.gz DCUGSLLSNVZLSU-JTQLQIEISA-N 2 0 187.331 0.559 20 0 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C[C@@H]1CC[C@@H](O)CN1C[C@H]1CCC[NH2+]1 306860937 629682361 /nfs/dbraw/zinc/68/23/61/629682361.db2.gz GQGRQUUMQGQXSE-GMTAPVOTSA-N 2 0 198.310 0.584 20 0 ACADRP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+](C)C)N1 306394205 629692139 /nfs/dbraw/zinc/69/21/39/629692139.db2.gz MNTZKMGSZDGDIG-MRVPVSSYSA-N 2 0 198.314 0.264 20 0 ACADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306392937 629694163 /nfs/dbraw/zinc/69/41/63/629694163.db2.gz FSPKNFHYOYRFJV-DCAQKATOSA-N 2 0 198.310 0.428 20 0 ACADRP C[C@H]1C[NH+]=C(NCC(C)(C)[NH+](C)C)N1 306394207 629696808 /nfs/dbraw/zinc/69/68/08/629696808.db2.gz MNTZKMGSZDGDIG-QMMMGPOBSA-N 2 0 198.314 0.264 20 0 ACADRP COCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306484267 629702473 /nfs/dbraw/zinc/70/24/73/629702473.db2.gz PLBWXXXFSGJMSM-VHSXEESVSA-N 2 0 184.283 0.174 20 0 ACADRP C[N@H+](CCC[NH3+])CCCCCC[NH3+] 143509666 629731158 /nfs/dbraw/zinc/73/11/58/629731158.db2.gz OCGMPFJACRVDQZ-UHFFFAOYSA-N 3 0 187.331 0.786 20 0 ACADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCO)C2 307051390 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ICHOUDGQGBHSSX-UWVGGRQHSA-N 2 0 188.315 0.687 20 0 ACADRP C[NH+]1CCC(NCC2([NH3+])CC2)CC1 259019926 629880809 /nfs/dbraw/zinc/88/08/09/629880809.db2.gz HCFUUCSHBPFIGF-UHFFFAOYSA-N 2 0 183.299 0.162 20 0 ACADRP CC[C@H](O)C[NH+]1CCC(C[NH3+])CC1 44514526 629882963 /nfs/dbraw/zinc/88/29/63/629882963.db2.gz RSWRGAKJKUCIKD-JTQLQIEISA-N 2 0 186.299 0.428 20 0 ACADRP CCNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 849004194 629888976 /nfs/dbraw/zinc/88/89/76/629888976.db2.gz GTUIBKLJNDXHKL-VIFPVBQESA-N 2 0 198.314 0.462 20 0 ACADRP C[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] 51840423 629890080 /nfs/dbraw/zinc/89/00/80/629890080.db2.gz SLGPNBORWILFDF-QMMMGPOBSA-N 2 0 174.288 0.284 20 0 ACADRP CN(C)C(=[NH2+])NCC1=CC[N@H+](C)CC1 849017041 629891172 /nfs/dbraw/zinc/89/11/72/629891172.db2.gz YBRLJDGNQMJKDZ-UHFFFAOYSA-N 2 0 196.298 0.334 20 0 ACADRP C[C@@H](NC(C[NH3+])C[NH3+])c1ccccn1 309625659 629903572 /nfs/dbraw/zinc/90/35/72/629903572.db2.gz PZPVTFKYACAXHJ-MRVPVSSYSA-N 2 0 194.282 0.018 20 0 ACADRP 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BNADXICODNNXRV-NSHDSACASA-N 2 0 197.326 0.552 20 0 ACADRP CC(C)([NH3+])C[N@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 306187795 630081802 /nfs/dbraw/zinc/08/18/02/630081802.db2.gz NYTCRYRZNXDIAI-AEJSXWLSSA-N 2 0 198.310 0.426 20 0 ACADRP C[C@@H]1C[NH+]=C(NCC[NH+]2CCCC2)N1 306201046 630084755 /nfs/dbraw/zinc/08/47/55/630084755.db2.gz PYNXCBHQVMATBS-SECBINFHSA-N 2 0 196.298 0.020 20 0 ACADRP CCC[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 306227467 630085207 /nfs/dbraw/zinc/08/52/07/630085207.db2.gz HHKXCGLOLAIOAJ-OGBGREFGSA-N 2 0 180.295 0.982 20 0 ACADRP CCC[NH2+][C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 306227463 630085922 /nfs/dbraw/zinc/08/59/22/630085922.db2.gz HHKXCGLOLAIOAJ-LADJIXMOSA-N 2 0 180.295 0.982 20 0 ACADRP C[C@H]1C[NH+]=C(NCC[NH+]2CCCC2)N1 306201063 630085989 /nfs/dbraw/zinc/08/59/89/630085989.db2.gz PYNXCBHQVMATBS-VIFPVBQESA-N 2 0 196.298 0.020 20 0 ACADRP COC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306206656 630086424 /nfs/dbraw/zinc/08/64/24/630086424.db2.gz 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165125458 630839978 /nfs/dbraw/zinc/83/99/78/630839978.db2.gz CNXUJVIOTZCMAI-UHFFFAOYSA-N 2 0 198.314 0.605 20 0 ACADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCO 82594449 630841522 /nfs/dbraw/zinc/84/15/22/630841522.db2.gz XFQKTMAPQWKCDH-SECBINFHSA-N 2 0 172.272 0.182 20 0 ACADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCO 82594448 630843169 /nfs/dbraw/zinc/84/31/69/630843169.db2.gz XFQKTMAPQWKCDH-VIFPVBQESA-N 2 0 172.272 0.182 20 0 ACADRP CNC(=[NH2+])NCCC1CC[NH+](C)CC1 226329620 630850250 /nfs/dbraw/zinc/85/02/50/630850250.db2.gz ZUEOEQGTFYJPAU-UHFFFAOYSA-N 2 0 198.314 0.462 20 0 ACADRP C[C@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 226328369 630850530 /nfs/dbraw/zinc/85/05/30/630850530.db2.gz NMVYOVNGDBDISN-UWVGGRQHSA-N 2 0 186.299 0.428 20 0 ACADRP C[C@@H](O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 226328362 630850845 /nfs/dbraw/zinc/85/08/45/630850845.db2.gz NMVYOVNGDBDISN-ZJUUUORDSA-N 2 0 186.299 0.428 20 0 ACADRP CNC(=[NH2+])NCC1(C)CC[NH+](C)CC1 227196308 630853904 /nfs/dbraw/zinc/85/39/04/630853904.db2.gz MWYSLTQYNDGAPG-UHFFFAOYSA-N 2 0 198.314 0.462 20 0 ACADRP C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 227211172 630855380 /nfs/dbraw/zinc/85/53/80/630855380.db2.gz RNCOWZBTPJOCJB-DJLDLDEBSA-N 2 0 172.272 0.036 20 0 ACADRP CC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 168956646 630857315 /nfs/dbraw/zinc/85/73/15/630857315.db2.gz JDLVFFBURWEGMT-GUBZILKMSA-N 2 0 186.299 0.569 20 0 ACADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCO 227735055 630858024 /nfs/dbraw/zinc/85/80/24/630858024.db2.gz HEUAELCFRHRSMQ-VIFPVBQESA-N 2 0 174.288 0.284 20 0 ACADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCO 227735060 630858190 /nfs/dbraw/zinc/85/81/90/630858190.db2.gz HEUAELCFRHRSMQ-SECBINFHSA-N 2 0 174.288 0.284 20 0 ACADRP CC[C@H](O)CN1CC[C@@H]([NH2+]C)C1 227670529 630858787 /nfs/dbraw/zinc/85/87/87/630858787.db2.gz XBYBBTHFZJCXFX-BDAKNGLRSA-N 2 0 172.272 0.051 20 0 ACADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](C)O 227735551 630859024 /nfs/dbraw/zinc/85/90/24/630859024.db2.gz IDYARNCCKNNMEK-ZJUUUORDSA-N 2 0 188.315 0.672 20 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/nfs/dbraw/zinc/86/47/13/630864713.db2.gz NIIGAZDYYGTKOF-UWVGGRQHSA-N 2 0 186.299 0.571 20 0 ACADRP CC[C@H]([NH3+])c1cn(CC[NH+](C)C)nn1 229936476 630873187 /nfs/dbraw/zinc/87/31/87/630873187.db2.gz OTZOLOGJKWWNNB-QMMMGPOBSA-N 2 0 197.286 0.250 20 0 ACADRP CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 62072504 630873917 /nfs/dbraw/zinc/87/39/17/630873917.db2.gz HDLLKHPMCWCISF-SECBINFHSA-N 2 0 198.314 0.462 20 0 ACADRP CCNC(=[NH2+])NCCC[NH+]1CCCC1 62072537 630874767 /nfs/dbraw/zinc/87/47/67/630874767.db2.gz WNYBFTLIHXNIRT-UHFFFAOYSA-N 2 0 198.314 0.606 20 0 ACADRP CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 62072502 630875379 /nfs/dbraw/zinc/87/53/79/630875379.db2.gz HDLLKHPMCWCISF-VIFPVBQESA-N 2 0 198.314 0.462 20 0 ACADRP CC[C@@H]([NH3+])c1cn(CC[NH+](C)C)nn1 229936473 630875462 /nfs/dbraw/zinc/87/54/62/630875462.db2.gz OTZOLOGJKWWNNB-MRVPVSSYSA-N 2 0 197.286 0.250 20 0 ACADRP CC[C@H](O)C[N@H+](C)CC(C)(C)C[NH3+] 86638480 630879982 /nfs/dbraw/zinc/87/99/82/630879982.db2.gz JHCJVJHHLWJSQH-VIFPVBQESA-N 2 0 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ACADRP [NH3+]CC(C[NH3+])NCC=C(Cl)Cl 923358409 630894821 /nfs/dbraw/zinc/89/48/21/630894821.db2.gz BBWUKMOOLYSEGR-UHFFFAOYSA-N 2 0 198.097 0.181 20 0 ACADRP CC[C@H](O)C[NH2+]CC1([NH3+])CCC1 923330792 630894833 /nfs/dbraw/zinc/89/48/33/630894833.db2.gz IZPHURWPNZINES-QMMMGPOBSA-N 2 0 172.272 0.228 20 0 ACADRP C[C@@H](O)C[NH2+][C@@](C)(C[NH3+])C1CC1 923296178 630894903 /nfs/dbraw/zinc/89/49/03/630894903.db2.gz ONDCAMRDEBBILK-APPZFPTMSA-N 2 0 172.272 0.084 20 0 ACADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCCCCC2)C1 923299074 630894933 /nfs/dbraw/zinc/89/49/33/630894933.db2.gz HZXNFDYLXIOFOM-DCAQKATOSA-N 2 0 198.310 0.713 20 0 ACADRP CC1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 923298439 630895035 /nfs/dbraw/zinc/89/50/35/630895035.db2.gz CSPKDPULXWLIIS-DCAQKATOSA-N 2 0 198.310 0.569 20 0 ACADRP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H]1C 923314767 630895047 /nfs/dbraw/zinc/89/50/47/630895047.db2.gz LVMJALZYOMRGHX-UVOCVTCTSA-N 2 0 198.310 0.567 20 0 ACADRP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 923381945 630898560 /nfs/dbraw/zinc/89/85/60/630898560.db2.gz MPAVTOVXHPGDRC-IWSPIJDZSA-N 2 0 172.272 0.227 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 923483910 630899037 /nfs/dbraw/zinc/89/90/37/630899037.db2.gz SEXIKCOJBGDQOG-SNVBAGLBSA-N 3 0 185.315 0.267 20 0 ACADRP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] 923510344 630901263 /nfs/dbraw/zinc/90/12/63/630901263.db2.gz ZTAWEDGCUJIPAO-OUAUKWLOSA-N 3 0 197.326 0.265 20 0 ACADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 923395050 630895873 /nfs/dbraw/zinc/89/58/73/630895873.db2.gz PAIDUVUNOKJZBD-UVOCVTCTSA-N 2 0 196.294 0.179 20 0 ACADRP C[N@H+](CCCF)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923428990 630895963 /nfs/dbraw/zinc/89/59/63/630895963.db2.gz VQBOVBZXKJUXHR-CIUDSAMLSA-N 2 0 190.262 0.128 20 0 ACADRP C[C@@H]1[NH2+]C[C@@H](C)N(CC[NH3+])[C@@H]1C 923435037 630896165 /nfs/dbraw/zinc/89/61/65/630896165.db2.gz DCPVIIKYZYGDCF-HRDYMLBCSA-N 2 0 171.288 0.016 20 0 ACADRP C[NH2+]CCCN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C 923438471 630896311 /nfs/dbraw/zinc/89/63/11/630896311.db2.gz ZRTXCTYGTIFKGM-OUAUKWLOSA-N 2 0 199.342 0.667 20 0 ACADRP OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 923357026 630896317 /nfs/dbraw/zinc/89/63/17/630896317.db2.gz MCYKZEGHUNDSHM-NSHDSACASA-N 2 0 198.310 0.300 20 0 ACADRP OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 923363186 630896465 /nfs/dbraw/zinc/89/64/65/630896465.db2.gz WHDVTPLJHRSVIE-WDEREUQCSA-N 2 0 198.310 0.300 20 0 ACADRP CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] 923383892 630896825 /nfs/dbraw/zinc/89/68/25/630896825.db2.gz NVGADUFECAEAJZ-IVZWLZJFSA-N 2 0 186.299 0.617 20 0 ACADRP C[C@@H]1[NH2+]C[C@@H](C)N(CC[NH3+])[C@H]1C 923435039 630897007 /nfs/dbraw/zinc/89/70/07/630897007.db2.gz DCPVIIKYZYGDCF-VGMNWLOBSA-N 2 0 171.288 0.016 20 0 ACADRP OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 923357025 630897076 /nfs/dbraw/zinc/89/70/76/630897076.db2.gz MCYKZEGHUNDSHM-LLVKDONJSA-N 2 0 198.310 0.300 20 0 ACADRP C[NH2+]CCCN1[C@@H](C)[C@H](C)[NH2+]C[C@H]1C 923438472 630897080 /nfs/dbraw/zinc/89/70/80/630897080.db2.gz ZRTXCTYGTIFKGM-VWYCJHECSA-N 2 0 199.342 0.667 20 0 ACADRP OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 923363185 630897232 /nfs/dbraw/zinc/89/72/32/630897232.db2.gz WHDVTPLJHRSVIE-QWRGUYRKSA-N 2 0 198.310 0.300 20 0 ACADRP C[NH2+]CCCN1[C@H](C)C[NH2+][C@H](C)[C@H]1C 923438469 630897346 /nfs/dbraw/zinc/89/73/46/630897346.db2.gz ZRTXCTYGTIFKGM-GMTAPVOTSA-N 2 0 199.342 0.667 20 0 ACADRP C[NH2+]CCCN1[C@@H](C)[C@@H](C)[NH2+]C[C@H]1C 923438470 630897465 /nfs/dbraw/zinc/89/74/65/630897465.db2.gz ZRTXCTYGTIFKGM-MXWKQRLJSA-N 2 0 199.342 0.667 20 0 ACADRP C[C@@H]1[NH2+]C[C@H](C)N(CC[NH3+])[C@H]1C 923435036 630897785 /nfs/dbraw/zinc/89/77/85/630897785.db2.gz DCPVIIKYZYGDCF-CIUDSAMLSA-N 2 0 171.288 0.016 20 0 ACADRP C[C@@H]1[NH2+]C[C@H](C)N(CC[NH3+])[C@@H]1C 923435041 630897792 /nfs/dbraw/zinc/89/77/92/630897792.db2.gz DCPVIIKYZYGDCF-XHNCKOQMSA-N 2 0 171.288 0.016 20 0 ACADRP C[C@H]1CC2(CC[NH2+]CC2)C[N@@H+]1CCO 923383941 630897887 /nfs/dbraw/zinc/89/78/87/630897887.db2.gz PGXPPRQPEGIFEV-JTQLQIEISA-N 2 0 198.310 0.443 20 0 ACADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H]3C[C@H]3C2)C1 923395046 630898212 /nfs/dbraw/zinc/89/82/12/630898212.db2.gz PAIDUVUNOKJZBD-QHZLYTNSSA-N 2 0 196.294 0.179 20 0 ACADRP OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 923363184 630898246 /nfs/dbraw/zinc/89/82/46/630898246.db2.gz WHDVTPLJHRSVIE-MNOVXSKESA-N 2 0 198.310 0.300 20 0 ACADRP OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 923363183 630898519 /nfs/dbraw/zinc/89/85/19/630898519.db2.gz WHDVTPLJHRSVIE-GHMZBOCLSA-N 2 0 198.310 0.300 20 0 ACADRP C[C@@H]1CC2(CC[NH2+]CC2)C[N@@H+]1CCO 923383942 630898576 /nfs/dbraw/zinc/89/85/76/630898576.db2.gz PGXPPRQPEGIFEV-SNVBAGLBSA-N 2 0 198.310 0.443 20 0 ACADRP C[NH2+]CCC[N@@H+]1CC[C@H](CC[NH3+])C1 923483909 630899282 /nfs/dbraw/zinc/89/92/82/630899282.db2.gz SEXIKCOJBGDQOG-JTQLQIEISA-N 3 0 185.315 0.267 20 0 ACADRP [NH3+]CC[C@H]1CCN(C[C@H]2CCC[NH2+]2)C1 923478924 630899369 /nfs/dbraw/zinc/89/93/69/630899369.db2.gz JEZFKPGHYGCCKR-WDEREUQCSA-N 2 0 197.326 0.409 20 0 ACADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 923484146 630899425 /nfs/dbraw/zinc/89/94/25/630899425.db2.gz WOUSVPULVPOBOU-MNOVXSKESA-N 3 0 197.326 0.267 20 0 ACADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 923511759 630899487 /nfs/dbraw/zinc/89/94/87/630899487.db2.gz SNSUKAUOWIYBIQ-LMLFDSFASA-N 2 0 198.310 0.690 20 0 ACADRP [NH3+]CCC[N@@H+]1CC[C@H](CC[NH3+])C1 923484798 630900147 /nfs/dbraw/zinc/90/01/47/630900147.db2.gz NDFHBXUPTHRFNN-VIFPVBQESA-N 3 0 171.288 0.006 20 0 ACADRP [NH3+]CC[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 923484148 630900230 /nfs/dbraw/zinc/90/02/30/630900230.db2.gz WOUSVPULVPOBOU-WDEREUQCSA-N 3 0 197.326 0.267 20 0 ACADRP [NH3+]CC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 923484145 630900357 /nfs/dbraw/zinc/90/03/57/630900357.db2.gz WOUSVPULVPOBOU-GHMZBOCLSA-N 3 0 197.326 0.267 20 0 ACADRP COC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515999 630900432 /nfs/dbraw/zinc/90/04/32/630900432.db2.gz QEDQFLJTUMWIKX-OUAUKWLOSA-N 2 0 198.310 0.563 20 0 ACADRP C[C@@H]1C[N@H+](C[C@H]2CCO[C@@H]2C)C[C@H]1[NH3+] 923511758 630900609 /nfs/dbraw/zinc/90/06/09/630900609.db2.gz SNSUKAUOWIYBIQ-GWOFURMSSA-N 2 0 198.310 0.690 20 0 ACADRP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] 923510343 630900663 /nfs/dbraw/zinc/90/06/63/630900663.db2.gz ZTAWEDGCUJIPAO-GMTAPVOTSA-N 3 0 197.326 0.265 20 0 ACADRP [NH3+]CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 923484797 630900701 /nfs/dbraw/zinc/90/07/01/630900701.db2.gz NDFHBXUPTHRFNN-SECBINFHSA-N 3 0 171.288 0.006 20 0 ACADRP [NH3+]CC[C@@H]1CCN(C[C@H]2CCC[NH2+]2)C1 923478922 630900792 /nfs/dbraw/zinc/90/07/92/630900792.db2.gz JEZFKPGHYGCCKR-GHMZBOCLSA-N 2 0 197.326 0.409 20 0 ACADRP [NH3+]CC[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 923484147 630900869 /nfs/dbraw/zinc/90/08/69/630900869.db2.gz WOUSVPULVPOBOU-QWRGUYRKSA-N 3 0 197.326 0.267 20 0 ACADRP C[NH2+]CCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 923516382 630901055 /nfs/dbraw/zinc/90/10/55/630901055.db2.gz BOASMRHPMPYQDS-WDEREUQCSA-N 2 0 197.326 0.137 20 0 ACADRP CC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515815 630901655 /nfs/dbraw/zinc/90/16/55/630901655.db2.gz NBRLNDNASIRUQO-AXFHLTTASA-N 2 0 198.310 0.299 20 0 ACADRP CNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 848987667 630955216 /nfs/dbraw/zinc/95/52/16/630955216.db2.gz OLVJSOHPGXHRKR-SECBINFHSA-N 2 0 198.314 0.462 20 0 ACADRP C[C@H]1CCC[N@@H+]([C@@H](C)CNC(N)=[NH2+])C1 848987435 630955316 /nfs/dbraw/zinc/95/53/16/630955316.db2.gz XFDPJAHGPMOKCQ-IUCAKERBSA-N 2 0 198.314 0.590 20 0 ACADRP CC[C@@H](CNC(=[NH2+])NC)[NH+]1CCCC1 848986318 630955505 /nfs/dbraw/zinc/95/55/05/630955505.db2.gz BTKODNLNJVYWKH-VIFPVBQESA-N 2 0 198.314 0.605 20 0 ACADRP C[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1 848986548 630955699 /nfs/dbraw/zinc/95/56/99/630955699.db2.gz DLTYOCOQMCLHAM-SECBINFHSA-N 2 0 198.314 0.557 20 0 ACADRP C[C@@H]1CCC[N@@H+]([C@H](C)CNC(N)=[NH2+])C1 848987436 630955918 /nfs/dbraw/zinc/95/59/18/630955918.db2.gz XFDPJAHGPMOKCQ-RKDXNWHRSA-N 2 0 198.314 0.590 20 0 ACADRP C[C@H]1CCCC[N@H+]1[C@@H](C)CNC(N)=[NH2+] 848986911 630956119 /nfs/dbraw/zinc/95/61/19/630956119.db2.gz KSXLGWFCVLIBCO-IUCAKERBSA-N 2 0 198.314 0.732 20 0 ACADRP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+](C)C1CC1 849001717 630956157 /nfs/dbraw/zinc/95/61/57/630956157.db2.gz UISUPMXYMQBZON-QMMMGPOBSA-N 2 0 198.314 0.555 20 0 ACADRP C[NH+](C)CCCCNC(=[NH2+])N1CCC1 848990010 630956220 /nfs/dbraw/zinc/95/62/20/630956220.db2.gz RCWUCISJLSFQRY-UHFFFAOYSA-N 2 0 198.314 0.558 20 0 ACADRP C[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCC1 848986549 630956258 /nfs/dbraw/zinc/95/62/58/630956258.db2.gz DLTYOCOQMCLHAM-VIFPVBQESA-N 2 0 198.314 0.557 20 0 ACADRP CN(C)C(=[NH2+])NCC[NH+]1CCCC1 848982547 630956274 /nfs/dbraw/zinc/95/62/74/630956274.db2.gz XYNVJUHLKSOWRD-UHFFFAOYSA-N 2 0 184.287 0.168 20 0 ACADRP CN(C)C(=[NH2+])NCCC[NH+]1CCCC1 848982665 630956374 /nfs/dbraw/zinc/95/63/74/630956374.db2.gz SRKHJWHFXIUWKJ-UHFFFAOYSA-N 2 0 198.314 0.558 20 0 ACADRP CN(C)C(=[NH2+])NCC[NH+]1CCCCC1 848983193 630956399 /nfs/dbraw/zinc/95/63/99/630956399.db2.gz WVRVLOBLBBRYGQ-UHFFFAOYSA-N 2 0 198.314 0.558 20 0 ACADRP C[C@@H](CNC(N)=[NH2+])[N@@H+]1CCC[C@@H](C)C1 848987433 630956422 /nfs/dbraw/zinc/95/64/22/630956422.db2.gz XFDPJAHGPMOKCQ-BDAKNGLRSA-N 2 0 198.314 0.590 20 0 ACADRP C[C@H]1CCC[N@@H+]([C@H](C)CNC(N)=[NH2+])C1 848987434 630956596 /nfs/dbraw/zinc/95/65/96/630956596.db2.gz XFDPJAHGPMOKCQ-DTWKUNHWSA-N 2 0 198.314 0.590 20 0 ACADRP CNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 848987668 630956796 /nfs/dbraw/zinc/95/67/96/630956796.db2.gz OLVJSOHPGXHRKR-VIFPVBQESA-N 2 0 198.314 0.462 20 0 ACADRP C[C@H]1CCCC[N@H+]1[C@H](C)CNC(N)=[NH2+] 848986910 630956814 /nfs/dbraw/zinc/95/68/14/630956814.db2.gz KSXLGWFCVLIBCO-DTWKUNHWSA-N 2 0 198.314 0.732 20 0 ACADRP [NH2+]=C(NCC[NH+]1CCCC1)N1CCC1 848982471 630956859 /nfs/dbraw/zinc/95/68/59/630956859.db2.gz HQWQGIUTWGBGID-UHFFFAOYSA-N 2 0 196.298 0.312 20 0 ACADRP C[C@H](CNC(=[NH2+])N(C)C)[N@H+](C)C1CC1 849001716 630956921 /nfs/dbraw/zinc/95/69/21/630956921.db2.gz UISUPMXYMQBZON-MRVPVSSYSA-N 2 0 198.314 0.555 20 0 ACADRP CN(C)C(=[NH2+])NCCCC[NH+](C)C 848989885 630956942 /nfs/dbraw/zinc/95/69/42/630956942.db2.gz JVHQAAVITSURHL-UHFFFAOYSA-N 2 0 186.303 0.414 20 0 ACADRP C[C@@H](CNC(N)=[NH2+])[N@@H+]1CCCC[C@H]1C 848986909 630956977 /nfs/dbraw/zinc/95/69/77/630956977.db2.gz KSXLGWFCVLIBCO-BDAKNGLRSA-N 2 0 198.314 0.732 20 0 ACADRP CC[C@H](CNC(=[NH2+])NC)[NH+]1CCCC1 848986317 630957151 /nfs/dbraw/zinc/95/71/51/630957151.db2.gz BTKODNLNJVYWKH-SECBINFHSA-N 2 0 198.314 0.605 20 0 ACADRP CNC(=[NH2+])NCCC[NH+]1CCCCC1 848982672 630957307 /nfs/dbraw/zinc/95/73/07/630957307.db2.gz TYKBIENOQGSEMG-UHFFFAOYSA-N 2 0 198.314 0.606 20 0 ACADRP CCNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 849004193 630957973 /nfs/dbraw/zinc/95/79/73/630957973.db2.gz GTUIBKLJNDXHKL-SECBINFHSA-N 2 0 198.314 0.462 20 0 ACADRP CNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 849004226 630958646 /nfs/dbraw/zinc/95/86/46/630958646.db2.gz JAKMQDFGQIQJPI-MRVPVSSYSA-N 2 0 184.287 0.072 20 0 ACADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N(C)C)C1 849004329 630958787 /nfs/dbraw/zinc/95/87/87/630958787.db2.gz MVTLQMHKCMZVPV-SECBINFHSA-N 2 0 198.314 0.414 20 0 ACADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])N(C)C)C1 849004330 630958929 /nfs/dbraw/zinc/95/89/29/630958929.db2.gz MVTLQMHKCMZVPV-VIFPVBQESA-N 2 0 198.314 0.414 20 0 ACADRP CNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 849004227 630959361 /nfs/dbraw/zinc/95/93/61/630959361.db2.gz JAKMQDFGQIQJPI-QMMMGPOBSA-N 2 0 184.287 0.072 20 0 ACADRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC 849028058 630962465 /nfs/dbraw/zinc/96/24/65/630962465.db2.gz ZZHXODCROBSRHH-VIFPVBQESA-N 2 0 198.314 0.605 20 0 ACADRP COCCC[NH2+][C@H]1CC[NH2+]C1(C)C 925489337 630993190 /nfs/dbraw/zinc/99/31/90/630993190.db2.gz BSXQEJZXOQQJIX-VIFPVBQESA-N 2 0 186.299 0.753 20 0 ACADRP COCCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925489336 630994163 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185.315 0.311 20 0 ACADRP CC[C@H]([NH3+])CN[C@H]1CC[NH2+]C1(C)C 925703693 631051373 /nfs/dbraw/zinc/05/13/73/631051373.db2.gz FBTIHGNPZXZXHU-IUCAKERBSA-N 2 0 185.315 0.454 20 0 ACADRP C[C@H]1[NH2+]CCC[C@H]1NCCC(C)(C)[NH3+] 925737980 631051633 /nfs/dbraw/zinc/05/16/33/631051633.db2.gz RZSSEUKCHWCAHP-NXEZZACHSA-N 2 0 199.342 0.844 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[C@H]1C[NH3+] 925737747 631051718 /nfs/dbraw/zinc/05/17/18/631051718.db2.gz KQDBCTBKONALAS-UWVGGRQHSA-N 2 0 199.342 0.831 20 0 ACADRP C[C@@H](NCCC(C)(C)[NH3+])C1C[NH2+]C1 925737345 631051917 /nfs/dbraw/zinc/05/19/17/631051917.db2.gz MVYJESDDZPZFDE-MRVPVSSYSA-N 2 0 185.315 0.311 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)[C@H]1CCOC1 925785016 631051983 /nfs/dbraw/zinc/05/19/83/631051983.db2.gz IMPMDZLFDYYUTC-CHWFTXMASA-N 2 0 198.310 0.609 20 0 ACADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925725883 631052107 /nfs/dbraw/zinc/05/21/07/631052107.db2.gz DAPFFWLYKCTBRL-OPRDCNLKSA-N 3 0 197.326 0.454 20 0 ACADRP C[C@H]1NCCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 925727273 631052173 /nfs/dbraw/zinc/05/21/73/631052173.db2.gz ODXIXVCZJFWSFO-ZNSHCXBVSA-N 2 0 197.326 0.454 20 0 ACADRP C[C@H]1CC[NH2+]C[C@@H]1NCCC(C)(C)[NH3+] 925737800 631052488 /nfs/dbraw/zinc/05/24/88/631052488.db2.gz LMMGHFSMHRFQGO-UWVGGRQHSA-N 2 0 199.342 0.701 20 0 ACADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]1[NH3+] 925738667 631052510 /nfs/dbraw/zinc/05/25/10/631052510.db2.gz SCEUUQBIEDHLOI-DTWKUNHWSA-N 2 0 185.315 0.583 20 0 ACADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727267 631052564 /nfs/dbraw/zinc/05/25/64/631052564.db2.gz ODXIXVCZJFWSFO-GWOFURMSSA-N 2 0 197.326 0.454 20 0 ACADRP C[C@@H](C[C@@H](C)[NH3+])NCCC(C)(C)[NH3+] 925737190 631052677 /nfs/dbraw/zinc/05/26/77/631052677.db2.gz HAPUBKRSMCNGPF-BDAKNGLRSA-N 2 0 187.331 0.829 20 0 ACADRP C[C@H]1[NH2+]CCC[C@@H]1NCCC(C)(C)[NH3+] 925737983 631052729 /nfs/dbraw/zinc/05/27/29/631052729.db2.gz RZSSEUKCHWCAHP-ZJUUUORDSA-N 2 0 199.342 0.844 20 0 ACADRP 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C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCOC1 925785020 631053300 /nfs/dbraw/zinc/05/33/00/631053300.db2.gz IMPMDZLFDYYUTC-LMLFDSFASA-N 2 0 198.310 0.609 20 0 ACADRP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)[C@@H]1CCOC1 925785018 631053415 /nfs/dbraw/zinc/05/34/15/631053415.db2.gz IMPMDZLFDYYUTC-GWOFURMSSA-N 2 0 198.310 0.609 20 0 ACADRP C[C@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 925727264 631053579 /nfs/dbraw/zinc/05/35/79/631053579.db2.gz ODXIXVCZJFWSFO-CHWFTXMASA-N 2 0 197.326 0.454 20 0 ACADRP C[C@H]([NH3+])C[C@@H](C)NCCC(C)(C)[NH3+] 925737193 631053624 /nfs/dbraw/zinc/05/36/24/631053624.db2.gz HAPUBKRSMCNGPF-DTWKUNHWSA-N 2 0 187.331 0.829 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[C@@H]1C[NH3+] 925737749 631053739 /nfs/dbraw/zinc/05/37/39/631053739.db2.gz KQDBCTBKONALAS-ZJUUUORDSA-N 2 0 199.342 0.831 20 0 ACADRP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCOC1 925785022 631053949 /nfs/dbraw/zinc/05/39/49/631053949.db2.gz IMPMDZLFDYYUTC-VPOLOUISSA-N 2 0 198.310 0.609 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[C@H]1[NH3+] 925738666 631054068 /nfs/dbraw/zinc/05/40/68/631054068.db2.gz SCEUUQBIEDHLOI-BDAKNGLRSA-N 2 0 185.315 0.583 20 0 ACADRP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 925725882 631054235 /nfs/dbraw/zinc/05/42/35/631054235.db2.gz DAPFFWLYKCTBRL-KXUCPTDWSA-N 3 0 197.326 0.454 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@@H]1NCCC(C)(C)[NH3+] 925737981 631054242 /nfs/dbraw/zinc/05/42/42/631054242.db2.gz RZSSEUKCHWCAHP-UWVGGRQHSA-N 2 0 199.342 0.844 20 0 ACADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@@H]1C[NH3+] 925737746 631054342 /nfs/dbraw/zinc/05/43/42/631054342.db2.gz KQDBCTBKONALAS-NXEZZACHSA-N 2 0 199.342 0.831 20 0 ACADRP C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727271 631054924 /nfs/dbraw/zinc/05/49/24/631054924.db2.gz ODXIXVCZJFWSFO-XWLWVQCSSA-N 2 0 197.326 0.454 20 0 ACADRP C[C@H]1NCCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727265 631054549 /nfs/dbraw/zinc/05/45/49/631054549.db2.gz ODXIXVCZJFWSFO-DBIOUOCHSA-N 2 0 197.326 0.454 20 0 ACADRP CC(C)([NH3+])CCN[C@@H]1CCC[C@H]1C[NH3+] 925737748 631054657 /nfs/dbraw/zinc/05/46/57/631054657.db2.gz KQDBCTBKONALAS-VHSXEESVSA-N 2 0 199.342 0.831 20 0 ACADRP CC(C)([NH3+])CCN[C@H]1CCC[C@@H]1[NH3+] 925738668 631054854 /nfs/dbraw/zinc/05/48/54/631054854.db2.gz SCEUUQBIEDHLOI-IUCAKERBSA-N 2 0 185.315 0.583 20 0 ACADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925725881 631054867 /nfs/dbraw/zinc/05/48/67/631054867.db2.gz DAPFFWLYKCTBRL-GUBZILKMSA-N 3 0 197.326 0.454 20 0 ACADRP C[C@@H]([NH3+])C[C@@H](C)NCCC(C)(C)[NH3+] 925737195 631055069 /nfs/dbraw/zinc/05/50/69/631055069.db2.gz HAPUBKRSMCNGPF-RKDXNWHRSA-N 2 0 187.331 0.829 20 0 ACADRP C[C@@H]1[NH2+]CCC[C@H]1NCCC(C)(C)[NH3+] 925737982 631055121 /nfs/dbraw/zinc/05/51/21/631055121.db2.gz RZSSEUKCHWCAHP-VHSXEESVSA-N 2 0 199.342 0.844 20 0 ACADRP C[C@@H]1CC[NH2+]C[C@H]1NCCC(C)(C)[NH3+] 925737799 631055171 /nfs/dbraw/zinc/05/51/71/631055171.db2.gz LMMGHFSMHRFQGO-NXEZZACHSA-N 2 0 199.342 0.701 20 0 ACADRP [NH3+]CCCCCC[NH2+]CCC[NH3+] 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