smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](CCO)CCC[NH3+] 34960372 537797053 /nfs/dbraw/zinc/79/70/53/537797053.db2.gz TXIRODWUSNYLET-UHFFFAOYSA-N 2 1 160.261 0.040 20 0 ACADMP CC(C)CC[N@H+](C)CC[NH3+] 37267946 537816625 /nfs/dbraw/zinc/81/66/25/537816625.db2.gz ZOIZDJBIEWYLFM-UHFFFAOYSA-N 2 1 144.262 0.923 20 0 ACADMP CC(C)CC[N@@H+](C)CC[NH3+] 37267946 537816634 /nfs/dbraw/zinc/81/66/34/537816634.db2.gz ZOIZDJBIEWYLFM-UHFFFAOYSA-N 2 1 144.262 0.923 20 0 ACADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 37889636 537823323 /nfs/dbraw/zinc/82/33/23/537823323.db2.gz GXXAEKODTNPBRY-SCZZXKLOSA-N 2 1 186.299 0.297 20 0 ACADMP CC(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C 37885460 537824173 /nfs/dbraw/zinc/82/41/73/537824173.db2.gz JWMNRSXVBUIYKK-VHSXEESVSA-N 2 1 188.315 0.543 20 0 ACADMP CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C 37874767 537826014 /nfs/dbraw/zinc/82/60/14/537826014.db2.gz RNFNYSMHRZPUNF-NXEZZACHSA-N 2 1 188.315 0.687 20 0 ACADMP CC(C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C 37885458 537826101 /nfs/dbraw/zinc/82/61/01/537826101.db2.gz JWMNRSXVBUIYKK-UWVGGRQHSA-N 2 1 188.315 0.543 20 0 ACADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 37889638 537826247 /nfs/dbraw/zinc/82/62/47/537826247.db2.gz GXXAEKODTNPBRY-PSASIEDQSA-N 2 1 186.299 0.297 20 0 ACADMP CC(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C 37885457 537826688 /nfs/dbraw/zinc/82/66/88/537826688.db2.gz JWMNRSXVBUIYKK-ZJUUUORDSA-N 2 1 188.315 0.543 20 0 ACADMP CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C 37874768 537826768 /nfs/dbraw/zinc/82/67/68/537826768.db2.gz RNFNYSMHRZPUNF-VHSXEESVSA-N 2 1 188.315 0.687 20 0 ACADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C1CC1 37889637 537826902 /nfs/dbraw/zinc/82/69/02/537826902.db2.gz GXXAEKODTNPBRY-WCBMZHEXSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C1CC1 37889635 537827179 /nfs/dbraw/zinc/82/71/79/537827179.db2.gz GXXAEKODTNPBRY-WPRPVWTQSA-N 2 1 186.299 0.297 20 0 ACADMP CCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C 37874766 537827217 /nfs/dbraw/zinc/82/72/17/537827217.db2.gz RNFNYSMHRZPUNF-UWVGGRQHSA-N 2 1 188.315 0.687 20 0 ACADMP CC(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C 37885459 537827619 /nfs/dbraw/zinc/82/76/19/537827619.db2.gz JWMNRSXVBUIYKK-NXEZZACHSA-N 2 1 188.315 0.543 20 0 ACADMP CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C 37874765 537827781 /nfs/dbraw/zinc/82/77/81/537827781.db2.gz RNFNYSMHRZPUNF-ZJUUUORDSA-N 2 1 188.315 0.687 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 38810378 537831705 /nfs/dbraw/zinc/83/17/05/537831705.db2.gz WVQMURCRHXPFND-ZJUUUORDSA-N 2 1 180.226 0.840 20 0 ACADMP C[C@@H]1C[C@](O)(CC[NH3+])CC[N@H+]1C 74309893 537865289 /nfs/dbraw/zinc/86/52/89/537865289.db2.gz XSCXCSYIIOPRDE-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H]1C[C@](O)(CC[NH3+])CC[N@H+]1C 74309894 537866413 /nfs/dbraw/zinc/86/64/13/537866413.db2.gz XSCXCSYIIOPRDE-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]1C[C@@](O)(CC[NH3+])CC[N@H+]1C 74309895 537866425 /nfs/dbraw/zinc/86/64/25/537866425.db2.gz XSCXCSYIIOPRDE-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H]1C[C@@](O)(CC[NH3+])CC[N@H+]1C 74309897 537868894 /nfs/dbraw/zinc/86/88/94/537868894.db2.gz XSCXCSYIIOPRDE-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP Cc1[nH+]cc([C@@H](O)CC[NH3+])n1C 82854477 537888828 /nfs/dbraw/zinc/88/88/28/537888828.db2.gz YKXHZGMRDRPJEK-QMMMGPOBSA-N 2 1 169.228 0.111 20 0 ACADMP Cc1[nH+]cc([C@H](O)CC[NH3+])n1C 82854476 537890447 /nfs/dbraw/zinc/89/04/47/537890447.db2.gz YKXHZGMRDRPJEK-MRVPVSSYSA-N 2 1 169.228 0.111 20 0 ACADMP Cn1c[nH+]cc1Cn1cc[nH+]c1N 85168195 537914747 /nfs/dbraw/zinc/91/47/47/537914747.db2.gz WXRGMAZACSWZKZ-UHFFFAOYSA-N 2 1 177.211 0.247 20 0 ACADMP C[C@H](C[NH3+])[C@@]1(O)CC[N@H+](C2CC2)C1 85901454 537916583 /nfs/dbraw/zinc/91/65/83/537916583.db2.gz LKASWQSCXSNXMG-PSASIEDQSA-N 2 1 184.283 0.180 20 0 ACADMP C[N@H+]1CC[C@](O)(C2(C[NH3+])CCC2)C1 85901438 537916667 /nfs/dbraw/zinc/91/66/67/537916667.db2.gz CWFSTIRBBTTZST-SNVBAGLBSA-N 2 1 184.283 0.182 20 0 ACADMP CC[C@@](C)(C[NH3+])[C@@]1(O)CC[N@@H+](C)C1 85901342 537916775 /nfs/dbraw/zinc/91/67/75/537916775.db2.gz QCQAEGPZOWTEGQ-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H](C[NH3+])[C@@]1(O)CC[N@H+](C2CC2)C1 85901449 537917063 /nfs/dbraw/zinc/91/70/63/537917063.db2.gz LKASWQSCXSNXMG-WCBMZHEXSA-N 2 1 184.283 0.180 20 0 ACADMP C[N@H+]1CC[C@@](O)(C2(C[NH3+])CCC2)C1 85901440 537917240 /nfs/dbraw/zinc/91/72/40/537917240.db2.gz CWFSTIRBBTTZST-JTQLQIEISA-N 2 1 184.283 0.182 20 0 ACADMP CC[C@@](C)(C[NH3+])[C@]1(O)CC[N@@H+](C)C1 85901337 537917385 /nfs/dbraw/zinc/91/73/85/537917385.db2.gz QCQAEGPZOWTEGQ-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@H+]1CC[C@@](O)(C(C)(C)C[NH3+])C1 85901353 537917412 /nfs/dbraw/zinc/91/74/12/537917412.db2.gz LIWWNXSIRJAHOK-VIFPVBQESA-N 2 1 172.272 0.038 20 0 ACADMP CC[C@](C)(C[NH3+])[C@]1(O)CC[N@@H+](C)C1 85901341 537917575 /nfs/dbraw/zinc/91/75/75/537917575.db2.gz QCQAEGPZOWTEGQ-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H](C[NH3+])[C@]1(O)CC[N@H+](C2CC2)C1 85901444 537917661 /nfs/dbraw/zinc/91/76/61/537917661.db2.gz LKASWQSCXSNXMG-WPRPVWTQSA-N 2 1 184.283 0.180 20 0 ACADMP CC[C@@H](C[NH3+])[C@@]1(O)CC[N@@H+](C)C1 85901406 537917860 /nfs/dbraw/zinc/91/78/60/537917860.db2.gz YSUJVQUZHFPGQO-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP CC[C@H](C[NH3+])[C@]1(O)CC[N@@H+](C)C1 85901403 537917961 /nfs/dbraw/zinc/91/79/61/537917961.db2.gz YSUJVQUZHFPGQO-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP CC[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](C)C1 85901409 537917986 /nfs/dbraw/zinc/91/79/86/537917986.db2.gz YSUJVQUZHFPGQO-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H](C[NH3+])[C@]1(O)CC[N@H+](C2CC2)C1 85901445 537918194 /nfs/dbraw/zinc/91/81/94/537918194.db2.gz LKASWQSCXSNXMG-SCZZXKLOSA-N 2 1 184.283 0.180 20 0 ACADMP CC[C@@H](C[NH3+])[C@]1(O)CC[N@@H+](C)C1 85901399 537918245 /nfs/dbraw/zinc/91/82/45/537918245.db2.gz YSUJVQUZHFPGQO-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP CC[C@](C)(C[NH3+])[C@@]1(O)CC[N@@H+](C)C1 85901345 537918367 /nfs/dbraw/zinc/91/83/67/537918367.db2.gz QCQAEGPZOWTEGQ-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@H+]1CC[C@](O)(C(C)(C)C[NH3+])C1 85901357 537918531 /nfs/dbraw/zinc/91/85/31/537918531.db2.gz LIWWNXSIRJAHOK-SECBINFHSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H](C[NH3+])[C@@]1(O)CCC[N@@H+](C)CC1 85922696 537922570 /nfs/dbraw/zinc/92/25/70/537922570.db2.gz TZUIEEWRILLSHL-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@H+]1CCC[C@](O)(CC[NH3+])CC1 85922720 537923077 /nfs/dbraw/zinc/92/30/77/537923077.db2.gz NQXIJXHXQOFEOS-VIFPVBQESA-N 2 1 172.272 0.182 20 0 ACADMP C[N@H+]1CCC[C@@](O)(CC[NH3+])CC1 85922722 537923782 /nfs/dbraw/zinc/92/37/82/537923782.db2.gz NQXIJXHXQOFEOS-SECBINFHSA-N 2 1 172.272 0.182 20 0 ACADMP CC[N@H+]1CCC[C@](O)(CC[NH3+])CC1 85922773 537923851 /nfs/dbraw/zinc/92/38/51/537923851.db2.gz HQVCKUDHOGTIEH-JTQLQIEISA-N 2 1 186.299 0.572 20 0 ACADMP C[C@@H](C[NH3+])[C@@]1(O)CCC[N@@H+](C)CC1 85922693 537924034 /nfs/dbraw/zinc/92/40/34/537924034.db2.gz TZUIEEWRILLSHL-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H](C[NH3+])[C@]1(O)CCC[N@@H+](C)CC1 85922688 537924206 /nfs/dbraw/zinc/92/42/06/537924206.db2.gz TZUIEEWRILLSHL-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H](C[NH3+])[C@]1(O)CCC[N@@H+](C)CC1 85922690 537924524 /nfs/dbraw/zinc/92/45/24/537924524.db2.gz TZUIEEWRILLSHL-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP CC[N@H+]1CCC[C@@](O)(CC[NH3+])CC1 85922775 537924580 /nfs/dbraw/zinc/92/45/80/537924580.db2.gz HQVCKUDHOGTIEH-SNVBAGLBSA-N 2 1 186.299 0.572 20 0 ACADMP C[N@H+]1CC[C@H]([NH3+])C12CCCC2 107158244 537958625 /nfs/dbraw/zinc/95/86/25/537958625.db2.gz KJRPVWOHXZUSSI-QMMMGPOBSA-N 2 1 154.257 0.962 20 0 ACADMP C[N@H+]1CC[C@@H]([NH3+])C12CCCC2 107158246 537959671 /nfs/dbraw/zinc/95/96/71/537959671.db2.gz KJRPVWOHXZUSSI-MRVPVSSYSA-N 2 1 154.257 0.962 20 0 ACADMP [NH3+]CC[C@@]1(O)CC[N@H+]2CCC[C@@H]2C1 107417011 537960650 /nfs/dbraw/zinc/96/06/50/537960650.db2.gz ROBCAKYNSWDWNG-NXEZZACHSA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+]CC[C@@]1(O)CC[N@H+]2CCCC[C@H]21 107416987 537961167 /nfs/dbraw/zinc/96/11/67/537961167.db2.gz KHRXQGANVDXUSI-VHSXEESVSA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+]CC[C@]1(O)CC[N@H+]2CCCC[C@H]21 107416989 537961833 /nfs/dbraw/zinc/96/18/33/537961833.db2.gz KHRXQGANVDXUSI-UWVGGRQHSA-N 2 1 184.283 0.325 20 0 ACADMP C[C@H]1C[N@@H+](C)CC[C@]1(O)CC[NH3+] 107406854 537962056 /nfs/dbraw/zinc/96/20/56/537962056.db2.gz XHVBJBGPLDNFNV-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP [NH3+]CC[C@]1(O)CC[N@H+]2CCC[C@H]2C1 107417009 537962211 /nfs/dbraw/zinc/96/22/11/537962211.db2.gz ROBCAKYNSWDWNG-UWVGGRQHSA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+]CC[C@]1(O)CC[N@H+]2CCC[C@@H]2C1 107417006 537962839 /nfs/dbraw/zinc/96/28/39/537962839.db2.gz ROBCAKYNSWDWNG-ZJUUUORDSA-N 2 1 184.283 0.325 20 0 ACADMP C[C@@H]1C[N@@H+](C)CC[C@]1(O)CC[NH3+] 107406851 537963329 /nfs/dbraw/zinc/96/33/29/537963329.db2.gz XHVBJBGPLDNFNV-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP [NH3+]CC[C@@]1(O)CC[N@H+]2CCC[C@H]2C1 107417014 537963806 /nfs/dbraw/zinc/96/38/06/537963806.db2.gz ROBCAKYNSWDWNG-VHSXEESVSA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccccc1F 113262812 537968250 /nfs/dbraw/zinc/96/82/50/537968250.db2.gz BSIFABPGHXYPFK-SCZZXKLOSA-N 2 1 180.226 0.840 20 0 ACADMP COCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155778545 538012119 /nfs/dbraw/zinc/01/21/19/538012119.db2.gz RVLRUTWVEFIXGP-WDEREUQCSA-N 2 1 198.310 0.849 20 0 ACADMP OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 155821726 538012375 /nfs/dbraw/zinc/01/23/75/538012375.db2.gz MRJCHALIQMKREA-QWRGUYRKSA-N 2 1 198.310 0.585 20 0 ACADMP C[C@H]1C[C@H](NCC[NH+](C)C)CC[N@H+]1C 155773351 538012657 /nfs/dbraw/zinc/01/26/57/538012657.db2.gz ZIESBCOMWOBABT-WDEREUQCSA-N 2 1 199.342 0.620 20 0 ACADMP C[C@@H]1C[C@H](NCC[NH+](C)C)CC[N@H+]1C 155773257 538013850 /nfs/dbraw/zinc/01/38/50/538013850.db2.gz ZIESBCOMWOBABT-GHMZBOCLSA-N 2 1 199.342 0.620 20 0 ACADMP C[C@@H]1C[C@@H](NCC[NH+](C)C)CC[N@H+]1C 155773471 538014045 /nfs/dbraw/zinc/01/40/45/538014045.db2.gz ZIESBCOMWOBABT-MNOVXSKESA-N 2 1 199.342 0.620 20 0 ACADMP C[C@H]1C[C@@H](NCC[NH+](C)C)CC[N@H+]1C 155773579 538014113 /nfs/dbraw/zinc/01/41/13/538014113.db2.gz ZIESBCOMWOBABT-QWRGUYRKSA-N 2 1 199.342 0.620 20 0 ACADMP OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 155821507 538014748 /nfs/dbraw/zinc/01/47/48/538014748.db2.gz MRJCHALIQMKREA-MNOVXSKESA-N 2 1 198.310 0.585 20 0 ACADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155847786 538015200 /nfs/dbraw/zinc/01/52/00/538015200.db2.gz VTGQBTQBKYNELX-GMTAPVOTSA-N 2 1 198.310 0.584 20 0 ACADMP OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155821400 538015337 /nfs/dbraw/zinc/01/53/37/538015337.db2.gz MRJCHALIQMKREA-GHMZBOCLSA-N 2 1 198.310 0.585 20 0 ACADMP COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155778432 538015921 /nfs/dbraw/zinc/01/59/21/538015921.db2.gz RVLRUTWVEFIXGP-GHMZBOCLSA-N 2 1 198.310 0.849 20 0 ACADMP OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155821626 538015983 /nfs/dbraw/zinc/01/59/83/538015983.db2.gz MRJCHALIQMKREA-WDEREUQCSA-N 2 1 198.310 0.585 20 0 ACADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155847916 538016146 /nfs/dbraw/zinc/01/61/46/538016146.db2.gz VTGQBTQBKYNELX-OUAUKWLOSA-N 2 1 198.310 0.584 20 0 ACADMP CC1CC([NH2+]C[C@@H](O)C[NH+](C)C)C1 166631310 538160330 /nfs/dbraw/zinc/16/03/30/538160330.db2.gz PRTMUXHOYKNMRJ-UDNWOFFPSA-N 2 1 186.299 0.297 20 0 ACADMP CC[N@H+]1CC[C@@H]([NH2+]CCO)[C@H](C)C1 166479124 538161328 /nfs/dbraw/zinc/16/13/28/538161328.db2.gz XZEAYMNOYFJRKK-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[N@H+]1CC[C@H]([NH2+]CCO)[C@H](C)C1 166479005 538161819 /nfs/dbraw/zinc/16/18/19/538161819.db2.gz XZEAYMNOYFJRKK-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP CC1CC([NH2+]C[C@H](O)C[NH+](C)C)C1 166631203 538162947 /nfs/dbraw/zinc/16/29/47/538162947.db2.gz PRTMUXHOYKNMRJ-RTBKNWGFSA-N 2 1 186.299 0.297 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 211585023 538187758 /nfs/dbraw/zinc/18/77/58/538187758.db2.gz WVQMURCRHXPFND-NXEZZACHSA-N 2 1 180.226 0.840 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 211584953 538189767 /nfs/dbraw/zinc/18/97/67/538189767.db2.gz WVQMURCRHXPFND-UWVGGRQHSA-N 2 1 180.226 0.840 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccccc1F 213184665 538190493 /nfs/dbraw/zinc/19/04/93/538190493.db2.gz BSIFABPGHXYPFK-PSASIEDQSA-N 2 1 180.226 0.840 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccccc1F 213184599 538190923 /nfs/dbraw/zinc/19/09/23/538190923.db2.gz BSIFABPGHXYPFK-WCBMZHEXSA-N 2 1 180.226 0.840 20 0 ACADMP Cc1[nH+]ccn1CC(F)(F)C[NH3+] 212608455 538191033 /nfs/dbraw/zinc/19/10/33/538191033.db2.gz OSGBXBFIIVXKCU-UHFFFAOYSA-N 2 1 175.182 0.786 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccccc1F 213184539 538191638 /nfs/dbraw/zinc/19/16/38/538191638.db2.gz BSIFABPGHXYPFK-WPRPVWTQSA-N 2 1 180.226 0.840 20 0 ACADMP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH3+] 222353022 538194955 /nfs/dbraw/zinc/19/49/55/538194955.db2.gz XKGQCQICBMHYHW-BDAKNGLRSA-N 2 1 174.288 0.284 20 0 ACADMP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH3+] 222353095 538196102 /nfs/dbraw/zinc/19/61/02/538196102.db2.gz XKGQCQICBMHYHW-IUCAKERBSA-N 2 1 174.288 0.284 20 0 ACADMP C[C@@H]1C[C@](O)(CC[NH3+])C[N@H+]1C1CC1 229953060 538202075 /nfs/dbraw/zinc/20/20/75/538202075.db2.gz FHNWKWWRYSKYAY-PSASIEDQSA-N 2 1 184.283 0.323 20 0 ACADMP C[C@H]1C[C@](O)(CC[NH3+])C[N@H+]1C1CC1 229953066 538202542 /nfs/dbraw/zinc/20/25/42/538202542.db2.gz FHNWKWWRYSKYAY-WCBMZHEXSA-N 2 1 184.283 0.323 20 0 ACADMP C[C@H]1C[C@@](O)(CC[NH3+])C[N@H+]1C1CC1 229953054 538202823 /nfs/dbraw/zinc/20/28/23/538202823.db2.gz FHNWKWWRYSKYAY-WPRPVWTQSA-N 2 1 184.283 0.323 20 0 ACADMP C[C@@H]1C[C@@](O)(CC[NH3+])C[N@H+]1C1CC1 229953047 538203131 /nfs/dbraw/zinc/20/31/31/538203131.db2.gz FHNWKWWRYSKYAY-SCZZXKLOSA-N 2 1 184.283 0.323 20 0 ACADMP CCOCC[N@H+]1CC[C@@](C)(C[NH3+])C1 233746138 538234190 /nfs/dbraw/zinc/23/41/90/538234190.db2.gz OZLHEKUETNVRSZ-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP CCOCC[N@H+]1CC[C@](C)(C[NH3+])C1 233746525 538235676 /nfs/dbraw/zinc/23/56/76/538235676.db2.gz OZLHEKUETNVRSZ-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP COCCC[N@H+]1CC[C@](C)(C[NH3+])C1 234619607 538237269 /nfs/dbraw/zinc/23/72/69/538237269.db2.gz IJWLGDJKBPZUNB-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP COCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 234619380 538239122 /nfs/dbraw/zinc/23/91/22/538239122.db2.gz IJWLGDJKBPZUNB-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP C[NH+](C)[C@@]1(C)CCC[NH2+]C1 238294522 538253085 /nfs/dbraw/zinc/25/30/85/538253085.db2.gz CBUFINOQAPUKOB-QMMMGPOBSA-N 2 1 142.246 0.690 20 0 ACADMP C[NH+](C)[C@]1(C)CCC[NH2+]C1 238303155 538253205 /nfs/dbraw/zinc/25/32/05/538253205.db2.gz CBUFINOQAPUKOB-MRVPVSSYSA-N 2 1 142.246 0.690 20 0 ACADMP COC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 238330650 538254401 /nfs/dbraw/zinc/25/44/01/538254401.db2.gz ITZCZPICCKWISU-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP COCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250177066 538256020 /nfs/dbraw/zinc/25/60/20/538256020.db2.gz RVLRUTWVEFIXGP-MNOVXSKESA-N 2 1 198.310 0.849 20 0 ACADMP COCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250177070 538256491 /nfs/dbraw/zinc/25/64/91/538256491.db2.gz RVLRUTWVEFIXGP-QWRGUYRKSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 251014445 538258560 /nfs/dbraw/zinc/25/85/60/538258560.db2.gz VTGQBTQBKYNELX-MXWKQRLJSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 251014449 538258698 /nfs/dbraw/zinc/25/86/98/538258698.db2.gz VTGQBTQBKYNELX-VWYCJHECSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 251119246 538260073 /nfs/dbraw/zinc/26/00/73/538260073.db2.gz QPBONRRWOBDJIK-AXFHLTTASA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 251119248 538260158 /nfs/dbraw/zinc/26/01/58/538260158.db2.gz QPBONRRWOBDJIK-DCAQKATOSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)CC[N@@H+]1C 251780167 538263757 /nfs/dbraw/zinc/26/37/57/538263757.db2.gz FLLXUFRHMZTOFO-VWYCJHECSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)CC[N@H+]1C 251780167 538263759 /nfs/dbraw/zinc/26/37/59/538263759.db2.gz FLLXUFRHMZTOFO-VWYCJHECSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 251775975 538264067 /nfs/dbraw/zinc/26/40/67/538264067.db2.gz FHDXFTMLTYIDBI-UTLUCORTSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)CC[N@@H+]1C 251780166 538264793 /nfs/dbraw/zinc/26/47/93/538264793.db2.gz FLLXUFRHMZTOFO-MXWKQRLJSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)CC[N@H+]1C 251780166 538264802 /nfs/dbraw/zinc/26/48/02/538264802.db2.gz FLLXUFRHMZTOFO-MXWKQRLJSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 251775973 538265378 /nfs/dbraw/zinc/26/53/78/538265378.db2.gz FHDXFTMLTYIDBI-KXUCPTDWSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 252703329 538272575 /nfs/dbraw/zinc/27/25/75/538272575.db2.gz VTGQBTQBKYNELX-DCAQKATOSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 252703328 538273037 /nfs/dbraw/zinc/27/30/37/538273037.db2.gz VTGQBTQBKYNELX-AXFHLTTASA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 252731578 538278027 /nfs/dbraw/zinc/27/80/27/538278027.db2.gz QPBONRRWOBDJIK-VWYCJHECSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 252731577 538279433 /nfs/dbraw/zinc/27/94/33/538279433.db2.gz QPBONRRWOBDJIK-MXWKQRLJSA-N 2 1 198.310 0.584 20 0 ACADMP CC[N@H+]1CC[C@@](O)(C2(C[NH3+])CC2)C1 306760074 538308506 /nfs/dbraw/zinc/30/85/06/538308506.db2.gz VZMFJLDKPSSFMT-JTQLQIEISA-N 2 1 184.283 0.182 20 0 ACADMP CC[N@H+]1CC[C@](O)(C2(C[NH3+])CC2)C1 306760075 538308697 /nfs/dbraw/zinc/30/86/97/538308697.db2.gz VZMFJLDKPSSFMT-SNVBAGLBSA-N 2 1 184.283 0.182 20 0 ACADMP CC[N@H+]1CC[C@](O)([C@H](C)C[NH3+])C1 306748655 538308719 /nfs/dbraw/zinc/30/87/19/538308719.db2.gz HCJUTFPPFSEFRK-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 306716533 538308858 /nfs/dbraw/zinc/30/88/58/538308858.db2.gz FYBQFHJIWWIAHL-ZJUUUORDSA-N 2 1 198.216 0.979 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1cc(F)cc(F)c1 306716530 538309154 /nfs/dbraw/zinc/30/91/54/538309154.db2.gz FYBQFHJIWWIAHL-UWVGGRQHSA-N 2 1 198.216 0.979 20 0 ACADMP CC[N@H+]1CC[C@@](O)([C@@H](C)C[NH3+])C1 306748652 538309189 /nfs/dbraw/zinc/30/91/89/538309189.db2.gz HCJUTFPPFSEFRK-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP CC[N@H+]1CC[C@](O)([C@@H](C)C[NH3+])C1 306748650 538309320 /nfs/dbraw/zinc/30/93/20/538309320.db2.gz HCJUTFPPFSEFRK-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1cc(F)cc(F)c1 306716527 538309483 /nfs/dbraw/zinc/30/94/83/538309483.db2.gz FYBQFHJIWWIAHL-NXEZZACHSA-N 2 1 198.216 0.979 20 0 ACADMP CC[N@H+]1CC[C@@](O)([C@H](C)C[NH3+])C1 306748647 538309617 /nfs/dbraw/zinc/30/96/17/538309617.db2.gz HCJUTFPPFSEFRK-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cc(F)cc(F)c1 306716531 538309654 /nfs/dbraw/zinc/30/96/54/538309654.db2.gz FYBQFHJIWWIAHL-VHSXEESVSA-N 2 1 198.216 0.979 20 0 ACADMP CC[N@@H+]1CC[C@H]2CC[NH2+]C[C@H]21 307352281 538315740 /nfs/dbraw/zinc/31/57/40/538315740.db2.gz VDMGNVHIHQPQDF-RKDXNWHRSA-N 2 1 154.257 0.690 20 0 ACADMP CC[N@H+]1CC[C@H]2CC[NH2+]C[C@H]21 307352281 538315752 /nfs/dbraw/zinc/31/57/52/538315752.db2.gz VDMGNVHIHQPQDF-RKDXNWHRSA-N 2 1 154.257 0.690 20 0 ACADMP Nc1cccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])c1 307377495 538316326 /nfs/dbraw/zinc/31/63/26/538316326.db2.gz WCYCDLRMCMFFME-UWVGGRQHSA-N 2 1 177.251 0.283 20 0 ACADMP Nc1cccc([C@H]2C[NH2+]C[C@@H]2[NH3+])c1 307377497 538316534 /nfs/dbraw/zinc/31/65/34/538316534.db2.gz WCYCDLRMCMFFME-ZJUUUORDSA-N 2 1 177.251 0.283 20 0 ACADMP Nc1cccc([C@@H]2C[NH2+]C[C@H]2[NH3+])c1 307377496 538316561 /nfs/dbraw/zinc/31/65/61/538316561.db2.gz WCYCDLRMCMFFME-VHSXEESVSA-N 2 1 177.251 0.283 20 0 ACADMP CC[N@@H+]1CC[C@@H]2CC[NH2+]C[C@H]21 307352280 538316569 /nfs/dbraw/zinc/31/65/69/538316569.db2.gz VDMGNVHIHQPQDF-DTWKUNHWSA-N 2 1 154.257 0.690 20 0 ACADMP CC[N@H+]1CC[C@@H]2CC[NH2+]C[C@H]21 307352280 538316572 /nfs/dbraw/zinc/31/65/72/538316572.db2.gz VDMGNVHIHQPQDF-DTWKUNHWSA-N 2 1 154.257 0.690 20 0 ACADMP Nc1cccc([C@H]2C[NH2+]C[C@H]2[NH3+])c1 307377494 538316695 /nfs/dbraw/zinc/31/66/95/538316695.db2.gz WCYCDLRMCMFFME-NXEZZACHSA-N 2 1 177.251 0.283 20 0 ACADMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH3+])C1 379366079 538367252 /nfs/dbraw/zinc/36/72/52/538367252.db2.gz QSOGTHRRZJEAAH-JTQLQIEISA-N 2 1 185.315 0.219 20 0 ACADMP CC[N@@H+](C)C[C@H]1CCN(CC[NH3+])C1 379366080 538367505 /nfs/dbraw/zinc/36/75/05/538367505.db2.gz QSOGTHRRZJEAAH-SNVBAGLBSA-N 2 1 185.315 0.219 20 0 ACADMP Cc1cn[nH]c1CNCCC[NH+](C)C 379594909 538419761 /nfs/dbraw/zinc/41/97/61/538419761.db2.gz DDNMKYKWZIDVGU-UHFFFAOYSA-N 2 1 196.298 0.759 20 0 ACADMP Cn1ncc(C[NH3+])c1C[N@@H+](C)C1CC1 675056872 538449537 /nfs/dbraw/zinc/44/95/37/538449537.db2.gz XYVXWJFTWDGJTE-UHFFFAOYSA-N 2 1 194.282 0.473 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 214926764 541316553 /nfs/dbraw/zinc/31/65/53/541316553.db2.gz BDSRFYPQRNNZAU-NXEZZACHSA-N 2 1 180.226 0.840 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1cccc(F)c1 214926714 541317048 /nfs/dbraw/zinc/31/70/48/541317048.db2.gz BDSRFYPQRNNZAU-ZJUUUORDSA-N 2 1 180.226 0.840 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1cccc(F)c1 214926665 541317165 /nfs/dbraw/zinc/31/71/65/541317165.db2.gz BDSRFYPQRNNZAU-UWVGGRQHSA-N 2 1 180.226 0.840 20 0 ACADMP CN(C)CC[NH+]1CC2(CC[NH2+]CC2)C1 219622768 541317641 /nfs/dbraw/zinc/31/76/41/541317641.db2.gz VNBLMNCQDVRJMD-UHFFFAOYSA-N 2 1 197.326 0.233 20 0 ACADMP C[NH2+][C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H](OC)C1 234449852 541324996 /nfs/dbraw/zinc/32/49/96/541324996.db2.gz KAXMPXUXSCSNMG-GMTAPVOTSA-N 2 1 198.310 0.848 20 0 ACADMP C[NH2+][C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](OC)C1 234449852 541325002 /nfs/dbraw/zinc/32/50/02/541325002.db2.gz KAXMPXUXSCSNMG-GMTAPVOTSA-N 2 1 198.310 0.848 20 0 ACADMP CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 83255600 756975267 /nfs/dbraw/zinc/97/52/67/756975267.db2.gz PWSIQRZFUHKTCP-LLVKDONJSA-N 2 1 197.326 0.376 20 0 ACADMP CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 83255599 756976205 /nfs/dbraw/zinc/97/62/05/756976205.db2.gz PWSIQRZFUHKTCP-NSHDSACASA-N 2 1 197.326 0.376 20 0 ACADMP CC[NH2+][C@H]1CCC[NH2+][C@H]1C 197089240 757023739 /nfs/dbraw/zinc/02/37/39/757023739.db2.gz UCZAGLQMCKWTMM-YUMQZZPRSA-N 2 1 142.246 0.736 20 0 ACADMP CC[NH2+][C@@H]1CCC[NH2+][C@H]1C 197089223 757024311 /nfs/dbraw/zinc/02/43/11/757024311.db2.gz UCZAGLQMCKWTMM-JGVFFNPUSA-N 2 1 142.246 0.736 20 0 ACADMP CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 197089197 757026639 /nfs/dbraw/zinc/02/66/39/757026639.db2.gz UCZAGLQMCKWTMM-HTQZYQBOSA-N 2 1 142.246 0.736 20 0 ACADMP CC[NH2+][C@H]1CCC[NH2+][C@@H]1C 197089207 757026748 /nfs/dbraw/zinc/02/67/48/757026748.db2.gz UCZAGLQMCKWTMM-SFYZADRCSA-N 2 1 142.246 0.736 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CCOC1 400669842 757132165 /nfs/dbraw/zinc/13/21/65/757132165.db2.gz YWJPDJFCQJVIQC-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[N@@H+](CCCC1CC1)C[C@H](O)C[NH3+] 400686191 757133674 /nfs/dbraw/zinc/13/36/74/757133674.db2.gz XGNDIRCHBOIBFU-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCOC1 400669836 757134994 /nfs/dbraw/zinc/13/49/94/757134994.db2.gz YWJPDJFCQJVIQC-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCOC1 400669841 757135040 /nfs/dbraw/zinc/13/50/40/757135040.db2.gz YWJPDJFCQJVIQC-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[N@@H+](CCCC1CC1)C[C@@H](O)C[NH3+] 400686189 757138845 /nfs/dbraw/zinc/13/88/45/757138845.db2.gz XGNDIRCHBOIBFU-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCOC1 400669839 757139550 /nfs/dbraw/zinc/13/95/50/757139550.db2.gz YWJPDJFCQJVIQC-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CO[C@H](C)C1 402176055 757159713 /nfs/dbraw/zinc/15/97/13/757159713.db2.gz YHPRMHBSGQJJHS-VPOLOUISSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H]1CCC[N@@H+](CCO)[C@H]1CC[NH3+] 404367195 757187454 /nfs/dbraw/zinc/18/74/54/757187454.db2.gz HTAMTWMEXGTTTK-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCO)[C@@H]1CC[NH3+] 404367183 757191118 /nfs/dbraw/zinc/19/11/18/757191118.db2.gz HTAMTWMEXGTTTK-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H]1CCC[N@@H+](CCO)[C@@H]1CC[NH3+] 404367199 757194202 /nfs/dbraw/zinc/19/42/02/757194202.db2.gz HTAMTWMEXGTTTK-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCO)[C@H]1CC[NH3+] 404367809 757195267 /nfs/dbraw/zinc/19/52/67/757195267.db2.gz HTAMTWMEXGTTTK-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP COCC[C@H](C)[NH2+]Cc1c[nH]cn1 82394891 572024548 /nfs/dbraw/zinc/02/45/48/572024548.db2.gz RDUFZRSNUKKMLP-QMMMGPOBSA-N 2 1 183.255 0.924 20 0 ACADMP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C)CC1 688039018 757328418 /nfs/dbraw/zinc/32/84/18/757328418.db2.gz AETQWWGGSKTEFU-MWLCHTKSSA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](CCOC2CC2)C1 711746671 572103973 /nfs/dbraw/zinc/10/39/73/572103973.db2.gz UROOFHAEJHEWAD-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1COC[C@H]1[NH2+]C1CC[NH+](C)CC1 688039015 757329591 /nfs/dbraw/zinc/32/95/91/757329591.db2.gz AETQWWGGSKTEFU-GXSJLCMTSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C)CC1 688039016 757330962 /nfs/dbraw/zinc/33/09/62/757330962.db2.gz AETQWWGGSKTEFU-KOLCDFICSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](C)CC1 688039021 757332292 /nfs/dbraw/zinc/33/22/92/757332292.db2.gz AETQWWGGSKTEFU-ONGXEEELSA-N 2 1 198.310 0.705 20 0 ACADMP CCn1cc(C[NH2+]C2CC([NH3+])C2)cn1 688467004 757335206 /nfs/dbraw/zinc/33/52/06/757335206.db2.gz WCLWCFKLXBPNOR-UHFFFAOYSA-N 2 1 194.282 0.482 20 0 ACADMP CC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] 691952022 757366693 /nfs/dbraw/zinc/36/66/93/757366693.db2.gz KEMACQOOXOMTJZ-QMMMGPOBSA-N 2 1 174.288 0.426 20 0 ACADMP CC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] 691952022 757366706 /nfs/dbraw/zinc/36/67/06/757366706.db2.gz KEMACQOOXOMTJZ-QMMMGPOBSA-N 2 1 174.288 0.426 20 0 ACADMP CC1CC(C[N@@H+](C)C[C@H](O)C[NH3+])C1 691980565 757372087 /nfs/dbraw/zinc/37/20/87/757372087.db2.gz YPFLMBSVPZPXJW-UDNWOFFPSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H](O)C[N@H+](C1CC[NH2+]CC1)C1CC1 692085230 757369321 /nfs/dbraw/zinc/36/93/21/757369321.db2.gz GYYQZQIMFRMCPV-VIFPVBQESA-N 2 1 198.310 0.584 20 0 ACADMP CC1CC(C[N@@H+](C)C[C@@H](O)C[NH3+])C1 691980564 757370039 /nfs/dbraw/zinc/37/00/39/757370039.db2.gz YPFLMBSVPZPXJW-RTBKNWGFSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@@H](O)C[N@H+](C1CC[NH2+]CC1)C1CC1 692085227 757370560 /nfs/dbraw/zinc/37/05/60/757370560.db2.gz GYYQZQIMFRMCPV-SECBINFHSA-N 2 1 198.310 0.584 20 0 ACADMP CC(C)(N)C[NH2+]CCCC[NH3+] 307868822 572678076 /nfs/dbraw/zinc/67/80/76/572678076.db2.gz KRAZHHOFOGPLGD-UHFFFAOYSA-N 2 1 159.277 0.052 20 0 ACADMP CC(C)CNC(=[NH2+])NCC[NH+]1CCC1 697388842 757421994 /nfs/dbraw/zinc/42/19/94/757421994.db2.gz YFCHRYLXFXYRPJ-UHFFFAOYSA-N 2 1 198.314 0.462 20 0 ACADMP CCCNC(=[NH2+])NCC[NH+]1CCC1 697386694 757424470 /nfs/dbraw/zinc/42/44/70/757424470.db2.gz KOAUAMVRQFQGIW-UHFFFAOYSA-N 2 1 184.287 0.216 20 0 ACADMP CC(C)(C)NC(=[NH2+])NCC[NH+]1CCC1 697387424 757429792 /nfs/dbraw/zinc/42/97/92/757429792.db2.gz POGCBZZTMMYMIP-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP CC(C)NC(=[NH2+])NCC[NH+]1CCC1 697388120 757430029 /nfs/dbraw/zinc/43/00/29/757430029.db2.gz SMPHXVGDDBUZGQ-UHFFFAOYSA-N 2 1 184.287 0.214 20 0 ACADMP C=C/C=C/CC[N@H+](C)C[C@@H](O)C[NH3+] 713716051 572481429 /nfs/dbraw/zinc/48/14/29/572481429.db2.gz HDSYOPKSZWNQCN-YEZKRMTDSA-N 2 1 184.283 0.370 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+]CC[NH3+] 104600242 573059843 /nfs/dbraw/zinc/05/98/43/573059843.db2.gz JVXWWMBSHOSITN-RNFRBKRXSA-N 2 1 128.219 0.191 20 0 ACADMP C[N@H+](C/C=C/Cl)CCOCC[NH3+] 699241165 757466035 /nfs/dbraw/zinc/46/60/35/757466035.db2.gz MEMZCORXYLKCPY-NSCUHMNNSA-N 2 1 192.690 0.646 20 0 ACADMP C[N@H+](C/C=C\Cl)CCOCC[NH3+] 699241164 757467609 /nfs/dbraw/zinc/46/76/09/757467609.db2.gz MEMZCORXYLKCPY-IHWYPQMZSA-N 2 1 192.690 0.646 20 0 ACADMP C[C@@H]1COC[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 699873235 757477157 /nfs/dbraw/zinc/47/71/57/757477157.db2.gz BDHWAOUDGWENGG-DBIOUOCHSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]1COC[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 699873241 757478358 /nfs/dbraw/zinc/47/83/58/757478358.db2.gz BDHWAOUDGWENGG-ZNSHCXBVSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]1COC[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 699873239 757479478 /nfs/dbraw/zinc/47/94/78/757479478.db2.gz BDHWAOUDGWENGG-YTWAJWBKSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@H]([NH2+][C@H]1COC[C@H]1C)[C@@H]1CCC[NH2+]1 699873237 757480606 /nfs/dbraw/zinc/48/06/06/757480606.db2.gz BDHWAOUDGWENGG-RCWTZXSCSA-N 2 1 198.310 0.751 20 0 ACADMP COC1CC(C[N@@H+](C)C2CC([NH3+])C2)C1 703323202 757481904 /nfs/dbraw/zinc/48/19/04/757481904.db2.gz JHDGYZBWZPWSAS-UHFFFAOYSA-N 2 1 198.310 0.833 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C[NH3+] 1118058208 757652671 /nfs/dbraw/zinc/65/26/71/757652671.db2.gz JOQOUTBNWDEUDQ-GARJFASQSA-N 3 1 199.342 0.559 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C[NH3+] 1118058198 757652934 /nfs/dbraw/zinc/65/29/34/757652934.db2.gz JOQOUTBNWDEUDQ-AXFHLTTASA-N 3 1 199.342 0.559 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]1C[NH3+] 1118058206 757658603 /nfs/dbraw/zinc/65/86/03/757658603.db2.gz JOQOUTBNWDEUDQ-DCAQKATOSA-N 3 1 199.342 0.559 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 1118058210 757660094 /nfs/dbraw/zinc/66/00/94/757660094.db2.gz JOQOUTBNWDEUDQ-HBNTYKKESA-N 3 1 199.342 0.559 20 0 ACADMP CC(C)[N@H+]1CC[C@H](CNC(N)=[NH2+])C1 51691830 572975660 /nfs/dbraw/zinc/97/56/60/572975660.db2.gz PQLLZQRFBSHFDF-MRVPVSSYSA-N 2 1 184.287 0.200 20 0 ACADMP C[NH2+][C@H](C)CC[NH2+]C[C@]12C[NH2+]C[C@H]1C2 1118517069 757684513 /nfs/dbraw/zinc/68/45/13/757684513.db2.gz QWOINCBVGSBNJX-GMTAPVOTSA-N 3 1 197.326 0.184 20 0 ACADMP C[NH2+][C@H](C)CC[NH2+]C[C@@]12C[NH2+]C[C@@H]1C2 1118517072 757693162 /nfs/dbraw/zinc/69/31/62/757693162.db2.gz QWOINCBVGSBNJX-VWYCJHECSA-N 3 1 197.326 0.184 20 0 ACADMP N[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 1119032280 757731903 /nfs/dbraw/zinc/73/19/03/757731903.db2.gz VPJQQRCAOSFTQU-QCLAVDOMSA-N 2 1 183.299 0.193 20 0 ACADMP N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 1119032282 757732369 /nfs/dbraw/zinc/73/23/69/757732369.db2.gz VPJQQRCAOSFTQU-UTINFBMNSA-N 2 1 183.299 0.193 20 0 ACADMP N[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 1119032278 757733515 /nfs/dbraw/zinc/73/35/15/757733515.db2.gz VPJQQRCAOSFTQU-JXUBOQSCSA-N 2 1 183.299 0.193 20 0 ACADMP N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 1119032281 757735518 /nfs/dbraw/zinc/73/55/18/757735518.db2.gz VPJQQRCAOSFTQU-RGOKHQFPSA-N 2 1 183.299 0.193 20 0 ACADMP [NH3+]CCCC[NH2+]C[C@@H]([NH3+])CC(F)F 1119611495 757784845 /nfs/dbraw/zinc/78/48/45/757784845.db2.gz TUZYCMGPDMEORJ-ZETCQYMHSA-N 3 1 195.257 0.297 20 0 ACADMP [NH3+]CCCC[NH2+]C[C@H]([NH3+])CC(F)F 1119611494 757789805 /nfs/dbraw/zinc/78/98/05/757789805.db2.gz TUZYCMGPDMEORJ-SSDOTTSWSA-N 3 1 195.257 0.297 20 0 ACADMP CC(C)(N)C[NH2+]C1CC(C[NH3+])C1 1120268975 757807007 /nfs/dbraw/zinc/80/70/07/757807007.db2.gz LDOGHKIPKYONLL-UHFFFAOYSA-N 2 1 171.288 0.051 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+][C@H](C)c1ncc[nH]1 308339415 573272879 /nfs/dbraw/zinc/27/28/79/573272879.db2.gz QEUBCRYLSRQPBW-JGVFFNPUSA-N 2 1 182.271 0.655 20 0 ACADMP C[C@@H](C[NH3+])Nc1cc[nH+]c(N(C)C)n1 82924391 573284065 /nfs/dbraw/zinc/28/40/65/573284065.db2.gz WQUUAJPNZKMRPD-ZETCQYMHSA-N 2 1 195.270 0.302 20 0 ACADMP COCCC[N@@H+]1CCCC[C@H]1C[NH3+] 37753908 573352000 /nfs/dbraw/zinc/35/20/00/573352000.db2.gz KPDOEUMGGBKCIJ-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP COCCC[N@H+]1CCCC[C@H]1C[NH3+] 37753908 573352004 /nfs/dbraw/zinc/35/20/04/573352004.db2.gz KPDOEUMGGBKCIJ-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP COCCC[N@@H+]1CCC[C@@H]1C[NH3+] 37753910 573353301 /nfs/dbraw/zinc/35/33/01/573353301.db2.gz MGXWIVLBDWYKBL-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP COCCC[N@H+]1CCC[C@@H]1C[NH3+] 37753910 573353307 /nfs/dbraw/zinc/35/33/07/573353307.db2.gz MGXWIVLBDWYKBL-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H](C)O 308562356 573359687 /nfs/dbraw/zinc/35/96/87/573359687.db2.gz YEQWBRURXGGVKN-IUCAKERBSA-N 2 1 197.282 0.550 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H](C)O 308562254 573364029 /nfs/dbraw/zinc/36/40/29/573364029.db2.gz YEQWBRURXGGVKN-BDAKNGLRSA-N 2 1 197.282 0.550 20 0 ACADMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 86403570 573412200 /nfs/dbraw/zinc/41/22/00/573412200.db2.gz SXBVRPLPEAZPCY-AXFHLTTASA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 86403570 573412207 /nfs/dbraw/zinc/41/22/07/573412207.db2.gz SXBVRPLPEAZPCY-AXFHLTTASA-N 2 1 197.326 0.550 20 0 ACADMP C[C@@H](CNCc1cnc[nH]1)C[NH+](C)C 308586094 573443346 /nfs/dbraw/zinc/44/33/46/573443346.db2.gz RYKHYTKAEDXTEL-VIFPVBQESA-N 2 1 196.298 0.697 20 0 ACADMP CC[N@@H+](CCN)C[C@](C)(O)CC 300772693 571917125 /nfs/dbraw/zinc/91/71/25/571917125.db2.gz QXFXYEMXGLNFNR-SECBINFHSA-N 2 1 174.288 0.428 20 0 ACADMP CC[N@H+](CC[NH3+])C[C@](C)(O)CC 300772693 571917126 /nfs/dbraw/zinc/91/71/26/571917126.db2.gz QXFXYEMXGLNFNR-SECBINFHSA-N 2 1 174.288 0.428 20 0 ACADMP CC[N@@H+](CC[NH3+])C[C@](C)(O)CC 300772693 571917128 /nfs/dbraw/zinc/91/71/28/571917128.db2.gz QXFXYEMXGLNFNR-SECBINFHSA-N 2 1 174.288 0.428 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 402176052 572045082 /nfs/dbraw/zinc/04/50/82/572045082.db2.gz YHPRMHBSGQJJHS-CHWFTXMASA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@@H+](C)CC(C)(C)C[NH3+] 87141110 572377969 /nfs/dbraw/zinc/37/79/69/572377969.db2.gz CMUUQDPMCATOBO-DTWKUNHWSA-N 2 1 188.315 0.672 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H](C)O 308562355 573363419 /nfs/dbraw/zinc/36/34/19/573363419.db2.gz YEQWBRURXGGVKN-DTWKUNHWSA-N 2 1 197.282 0.550 20 0 ACADMP C[C@H](CNCc1cnc[nH]1)C[NH+](C)C 308586091 573441892 /nfs/dbraw/zinc/44/18/92/573441892.db2.gz RYKHYTKAEDXTEL-SECBINFHSA-N 2 1 196.298 0.697 20 0 ACADMP C[C@@H]1C[NH+]=C(NCC[N@H+](C)C2CC2)N1 308591760 573459896 /nfs/dbraw/zinc/45/98/96/573459896.db2.gz PGNJLUBNCBUNBZ-MRVPVSSYSA-N 2 1 196.298 0.018 20 0 ACADMP C[C@@H]1C[NH+]=C(NCC[N@@H+](C)C2CC2)N1 308591760 573459902 /nfs/dbraw/zinc/45/99/02/573459902.db2.gz PGNJLUBNCBUNBZ-MRVPVSSYSA-N 2 1 196.298 0.018 20 0 ACADMP [NH3+]CC[NH2+][C@@H]1CCCOCC1 83425404 573495952 /nfs/dbraw/zinc/49/59/52/573495952.db2.gz FLYPVYNIJBAPGS-MRVPVSSYSA-N 2 1 158.245 0.104 20 0 ACADMP C1COC[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 86728985 573593212 /nfs/dbraw/zinc/59/32/12/573593212.db2.gz JXBIOOJGQMRVNJ-UWVGGRQHSA-N 2 1 184.283 0.365 20 0 ACADMP C1COC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 86728983 573597463 /nfs/dbraw/zinc/59/74/63/573597463.db2.gz JXBIOOJGQMRVNJ-ZJUUUORDSA-N 2 1 184.283 0.365 20 0 ACADMP C1COC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 86728981 573597041 /nfs/dbraw/zinc/59/70/41/573597041.db2.gz JXBIOOJGQMRVNJ-VHSXEESVSA-N 2 1 184.283 0.365 20 0 ACADMP [NH3+]C1(C[NH2+]CC2CC2)CC1 83836962 573675716 /nfs/dbraw/zinc/67/57/16/573675716.db2.gz FYRCOBCISXSYLW-UHFFFAOYSA-N 2 1 140.230 0.477 20 0 ACADMP CC[NH2+]C1CC[NH+](CCCO)CC1 43443852 573800869 /nfs/dbraw/zinc/80/08/69/573800869.db2.gz LZCUJCKENXWXKZ-UHFFFAOYSA-N 2 1 186.299 0.443 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] 44559284 573916668 /nfs/dbraw/zinc/91/66/68/573916668.db2.gz UEYJYIDHFULCPG-ZJUUUORDSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] 44559284 573916675 /nfs/dbraw/zinc/91/66/75/573916675.db2.gz UEYJYIDHFULCPG-ZJUUUORDSA-N 2 1 186.299 0.571 20 0 ACADMP C[N@H+]1CCCC[C@@H]1CNC1CC([NH3+])C1 87651805 573993666 /nfs/dbraw/zinc/99/36/66/573993666.db2.gz FTGRMBVAJXCQAJ-VQXHTEKXSA-N 2 1 197.326 0.550 20 0 ACADMP CN1CCCC[C@@H]1C[NH2+]C1CC([NH3+])C1 87651805 573993672 /nfs/dbraw/zinc/99/36/72/573993672.db2.gz FTGRMBVAJXCQAJ-VQXHTEKXSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CCCC[C@H]1CNC1CC([NH3+])C1 87651806 573993866 /nfs/dbraw/zinc/99/38/66/573993866.db2.gz FTGRMBVAJXCQAJ-ILDUYXDCSA-N 2 1 197.326 0.550 20 0 ACADMP CN1CCCC[C@H]1C[NH2+]C1CC([NH3+])C1 87651806 573993870 /nfs/dbraw/zinc/99/38/70/573993870.db2.gz FTGRMBVAJXCQAJ-ILDUYXDCSA-N 2 1 197.326 0.550 20 0 ACADMP [NH3+]C1CC([NH2+]Cc2cccnc2)C1 87651233 573995205 /nfs/dbraw/zinc/99/52/05/573995205.db2.gz IPFNELALPLDJEK-UHFFFAOYSA-N 2 1 177.251 0.661 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@H+](CCF)C1 87774524 574029096 /nfs/dbraw/zinc/02/90/96/574029096.db2.gz KNDFHQFFBXLSRT-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@@H+](CCF)C1 87774524 574029097 /nfs/dbraw/zinc/02/90/97/574029097.db2.gz KNDFHQFFBXLSRT-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP C[C@@H]1C[N@H+](CCF)CC[C@@H]1[NH3+] 87776689 574032492 /nfs/dbraw/zinc/03/24/92/574032492.db2.gz SKSBUVRHBXGODO-SFYZADRCSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1[NH3+] 87776689 574032495 /nfs/dbraw/zinc/03/24/95/574032495.db2.gz SKSBUVRHBXGODO-SFYZADRCSA-N 2 1 160.236 0.625 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+](CCF)C1 87776577 574031593 /nfs/dbraw/zinc/03/15/93/574031593.db2.gz FLBLJGAGJCCBRT-SSDOTTSWSA-N 2 1 146.209 0.237 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CCF)C1 87776577 574031594 /nfs/dbraw/zinc/03/15/94/574031594.db2.gz FLBLJGAGJCCBRT-SSDOTTSWSA-N 2 1 146.209 0.237 20 0 ACADMP C[C@H](CNc1cc(N)[nH+]cn1)[NH+](C)C 87825479 574043391 /nfs/dbraw/zinc/04/33/91/574043391.db2.gz NHOLNNMTOAZFNI-SSDOTTSWSA-N 2 1 195.270 0.421 20 0 ACADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCO1 1168072454 760890624 /nfs/dbraw/zinc/89/06/24/760890624.db2.gz RDSQOCJWKRBTOZ-IUCAKERBSA-N 2 1 186.299 0.881 20 0 ACADMP C[C@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCO1 1168072453 760890947 /nfs/dbraw/zinc/89/09/47/760890947.db2.gz RDSQOCJWKRBTOZ-DTWKUNHWSA-N 2 1 186.299 0.881 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCO1 1168072452 760891654 /nfs/dbraw/zinc/89/16/54/760891654.db2.gz RDSQOCJWKRBTOZ-BDAKNGLRSA-N 2 1 186.299 0.881 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCO1 1168072455 760891970 /nfs/dbraw/zinc/89/19/70/760891970.db2.gz RDSQOCJWKRBTOZ-RKDXNWHRSA-N 2 1 186.299 0.881 20 0 ACADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 1169225294 760947702 /nfs/dbraw/zinc/94/77/02/760947702.db2.gz RMCFDHUJDHXKGR-PHIMTYICSA-N 2 1 198.310 0.584 20 0 ACADMP CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1201575413 761789966 /nfs/dbraw/zinc/78/99/66/761789966.db2.gz KPSHYIHOCIFWKM-ZJUUUORDSA-N 2 1 168.284 0.890 20 0 ACADMP CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 1201575413 761789976 /nfs/dbraw/zinc/78/99/76/761789976.db2.gz KPSHYIHOCIFWKM-ZJUUUORDSA-N 2 1 168.284 0.890 20 0 ACADMP CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 1201575413 761789981 /nfs/dbraw/zinc/78/99/81/761789981.db2.gz KPSHYIHOCIFWKM-ZJUUUORDSA-N 2 1 168.284 0.890 20 0 ACADMP OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 1204727590 761865176 /nfs/dbraw/zinc/86/51/76/761865176.db2.gz DRALSVKWHHSAFO-UHFFFAOYSA-N 2 1 198.310 0.444 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C)[C@H]1CO 1205903235 762021462 /nfs/dbraw/zinc/02/14/62/762021462.db2.gz NPYSFVUQWGGGNC-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CC2(C)COC2)C[C@H]1[NH3+] 1206049997 762042982 /nfs/dbraw/zinc/04/29/82/762042982.db2.gz WSLPTGMMLYJKHC-RKDXNWHRSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1C[C@H](O)CC[C@H]1C 1206049348 762044512 /nfs/dbraw/zinc/04/45/12/762044512.db2.gz JHDJUMIXENBKRO-IWSPIJDZSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H](O)C1 1206380084 762081822 /nfs/dbraw/zinc/08/18/22/762081822.db2.gz MRKQVUYOBTVVII-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H](O)C1 1206380084 762081830 /nfs/dbraw/zinc/08/18/30/762081830.db2.gz MRKQVUYOBTVVII-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP CC(=O)C[N@@H+](C)CC1CC[NH2+]CC1 1207436476 762154621 /nfs/dbraw/zinc/15/46/21/762154621.db2.gz JFTJGLFZQVXXPF-UHFFFAOYSA-N 2 1 184.283 0.507 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 1209845788 762323972 /nfs/dbraw/zinc/32/39/72/762323972.db2.gz MRKQVUYOBTVVII-VGMNWLOBSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@@H](O)C1 1209845788 762323977 /nfs/dbraw/zinc/32/39/77/762323977.db2.gz MRKQVUYOBTVVII-VGMNWLOBSA-N 2 1 172.272 0.036 20 0 ACADMP OCC[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 1235171274 764596025 /nfs/dbraw/zinc/59/60/25/764596025.db2.gz IMJDJNOZEXXHAO-NSHDSACASA-N 2 1 198.310 0.587 20 0 ACADMP OCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 1235171274 764596031 /nfs/dbraw/zinc/59/60/31/764596031.db2.gz IMJDJNOZEXXHAO-NSHDSACASA-N 2 1 198.310 0.587 20 0 ACADMP OCC[N@@H+]1CCCC[C@]12CCC[NH2+]C2 1235171273 764596448 /nfs/dbraw/zinc/59/64/48/764596448.db2.gz IMJDJNOZEXXHAO-LLVKDONJSA-N 2 1 198.310 0.587 20 0 ACADMP OCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 1235171273 764596453 /nfs/dbraw/zinc/59/64/53/764596453.db2.gz IMJDJNOZEXXHAO-LLVKDONJSA-N 2 1 198.310 0.587 20 0 ACADMP CCC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 1246024727 765151435 /nfs/dbraw/zinc/15/14/35/765151435.db2.gz AMUKJEFNUKXNKL-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP CCC[C@H](O)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 1246024727 765151412 /nfs/dbraw/zinc/15/14/12/765151412.db2.gz AMUKJEFNUKXNKL-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP CCC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 1246024729 765156247 /nfs/dbraw/zinc/15/62/47/765156247.db2.gz AMUKJEFNUKXNKL-OPRDCNLKSA-N 2 1 186.299 0.426 20 0 ACADMP CCC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 1246024729 765156262 /nfs/dbraw/zinc/15/62/62/765156262.db2.gz AMUKJEFNUKXNKL-OPRDCNLKSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 1246122102 765191967 /nfs/dbraw/zinc/19/19/67/765191967.db2.gz GDTXSVOLKDSLQN-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 1246122100 765193835 /nfs/dbraw/zinc/19/38/35/765193835.db2.gz GDTXSVOLKDSLQN-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44536018 1169091180 /nfs/dbraw/zinc/09/11/80/1169091180.db2.gz XKPCLNBWQPPPTK-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 44536022 1169091318 /nfs/dbraw/zinc/09/13/18/1169091318.db2.gz XKPCLNBWQPPPTK-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H](C[NH3+])C[NH2+]Cc1nccs1 54345914 1169095872 /nfs/dbraw/zinc/09/58/72/1169095872.db2.gz BXHKVJWEFBYWGA-SSDOTTSWSA-N 2 1 185.296 0.828 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+]Cc1nccs1 54345911 1169096063 /nfs/dbraw/zinc/09/60/63/1169096063.db2.gz BXHKVJWEFBYWGA-ZETCQYMHSA-N 2 1 185.296 0.828 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCO1 306870601 673914666 /nfs/dbraw/zinc/91/46/66/673914666.db2.gz TVTMMFBQVPWWMO-HBNTYKKESA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCO1 306870600 673915197 /nfs/dbraw/zinc/91/51/97/673915197.db2.gz TVTMMFBQVPWWMO-GARJFASQSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCO1 306870599 673915212 /nfs/dbraw/zinc/91/52/12/673915212.db2.gz TVTMMFBQVPWWMO-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]1C[C@@H](C)[C@H](C[NH3+])C[N@@H+]1CCO 307236347 673918097 /nfs/dbraw/zinc/91/80/97/673918097.db2.gz VMKMBDWEUGFXOI-KXUCPTDWSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])C[N@@H+]1CCO 307236351 673918100 /nfs/dbraw/zinc/91/81/00/673918100.db2.gz VMKMBDWEUGFXOI-UTLUCORTSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[NH+]=C(NCC2([NH+](C)C)CC2)N1 307235218 673918189 /nfs/dbraw/zinc/91/81/89/673918189.db2.gz DGWJLGPTLFDGDP-QMMMGPOBSA-N 2 1 196.298 0.018 20 0 ACADMP C[C@@H]1C[NH+]=C(NCC2([NH+](C)C)CC2)N1 307235217 673918256 /nfs/dbraw/zinc/91/82/56/673918256.db2.gz DGWJLGPTLFDGDP-MRVPVSSYSA-N 2 1 196.298 0.018 20 0 ACADMP C[C@@H]1C[C@@H](C)[N@@H+](CCO)C[C@H]1C[NH3+] 307236349 673918282 /nfs/dbraw/zinc/91/82/82/673918282.db2.gz VMKMBDWEUGFXOI-OPRDCNLKSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 307707516 673921297 /nfs/dbraw/zinc/92/12/97/673921297.db2.gz ZIIPZFWRXBGRNY-ZETCQYMHSA-N 2 1 154.257 0.866 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 723074731 673923461 /nfs/dbraw/zinc/92/34/61/673923461.db2.gz XICMAYFXLOZMJZ-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 723074731 673923463 /nfs/dbraw/zinc/92/34/63/673923463.db2.gz XICMAYFXLOZMJZ-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H](O)C[NH3+] 723073697 673923471 /nfs/dbraw/zinc/92/34/71/673923471.db2.gz MXOQCKCFYIKSMI-UTLUCORTSA-N 2 1 186.299 0.284 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](O)C[NH3+] 723073695 673923482 /nfs/dbraw/zinc/92/34/82/673923482.db2.gz MXOQCKCFYIKSMI-KXUCPTDWSA-N 2 1 186.299 0.284 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 723074732 673923543 /nfs/dbraw/zinc/92/35/43/673923543.db2.gz XICMAYFXLOZMJZ-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 723074732 673923545 /nfs/dbraw/zinc/92/35/45/673923545.db2.gz XICMAYFXLOZMJZ-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP C[NH2+]C[C@H](O)C[N@H+]1CCC[C@H](C)C1 108015199 1169143835 /nfs/dbraw/zinc/14/38/35/1169143835.db2.gz KEXJRIODOMAVJI-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP COC[C@@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723465059 673923638 /nfs/dbraw/zinc/92/36/38/673923638.db2.gz RBQPWJKQSOOPDO-IVZWLZJFSA-N 2 1 186.299 0.548 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723453409 673927461 /nfs/dbraw/zinc/92/74/61/673927461.db2.gz VGZGLYFKMSFWHJ-SGIHWFKDSA-N 2 1 168.284 0.921 20 0 ACADMP C[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@H]1[NH3+] 723453410 673927489 /nfs/dbraw/zinc/92/74/89/673927489.db2.gz VGZGLYFKMSFWHJ-ZYUZMQFOSA-N 2 1 168.284 0.921 20 0 ACADMP COCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723470829 673928411 /nfs/dbraw/zinc/92/84/11/673928411.db2.gz GUYXFDSFZMREIC-OPRDCNLKSA-N 2 1 186.299 0.690 20 0 ACADMP CCNC(=[NH2+])NCCn1cc[nH+]c1C 308479658 673931245 /nfs/dbraw/zinc/93/12/45/673931245.db2.gz GHVXNCCTPRHXQK-UHFFFAOYSA-N 2 1 195.270 0.325 20 0 ACADMP CC[C@@H](C)C[NH2+][C@@H](C)C[NH3+] 161991828 673939344 /nfs/dbraw/zinc/93/93/44/673939344.db2.gz FYXFJNLBBGDTJJ-SFYZADRCSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@H](C)C[NH2+][C@@H](C)C[NH3+] 161991956 673939697 /nfs/dbraw/zinc/93/96/97/673939697.db2.gz FYXFJNLBBGDTJJ-YUMQZZPRSA-N 2 1 144.262 0.969 20 0 ACADMP CCC[N@H+]1CC[C@H](CNC(N)=[NH2+])C1 719179895 673941563 /nfs/dbraw/zinc/94/15/63/673941563.db2.gz ONJDJULSHXHXEG-MRVPVSSYSA-N 2 1 184.287 0.201 20 0 ACADMP CC1CC([NH2+]CC2([NH3+])CC2)C1 123540974 1169166241 /nfs/dbraw/zinc/16/62/41/1169166241.db2.gz CUWHIYUJGNOSPM-UHFFFAOYSA-N 2 1 154.257 0.866 20 0 ACADMP CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C1(C)C 925645011 673946758 /nfs/dbraw/zinc/94/67/58/673946758.db2.gz NPCOQHSHQQUEDU-DTWKUNHWSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C1(C)C 925645014 673946766 /nfs/dbraw/zinc/94/67/66/673946766.db2.gz NPCOQHSHQQUEDU-IUCAKERBSA-N 2 1 186.299 0.487 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 925687982 673947210 /nfs/dbraw/zinc/94/72/10/673947210.db2.gz AUQJYASDUUBXAB-YIZRAAEISA-N 2 1 184.283 0.240 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 925687979 673947483 /nfs/dbraw/zinc/94/74/83/673947483.db2.gz AUQJYASDUUBXAB-HRDYMLBCSA-N 2 1 184.283 0.240 20 0 ACADMP CC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 925711727 673948192 /nfs/dbraw/zinc/94/81/92/673948192.db2.gz VOHNOQXSLJQJPE-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C 925711724 673948243 /nfs/dbraw/zinc/94/82/43/673948243.db2.gz VOHNOQXSLJQJPE-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 925711726 673948262 /nfs/dbraw/zinc/94/82/62/673948262.db2.gz VOHNOQXSLJQJPE-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 925711729 673948293 /nfs/dbraw/zinc/94/82/93/673948293.db2.gz VOHNOQXSLJQJPE-OPRDCNLKSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 125577629 1169172829 /nfs/dbraw/zinc/17/28/29/1169172829.db2.gz ZFQPSTJGBCRYKM-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H]1CC[N@H+](CCF)C[C@H]1C[NH3+] 253184431 673953648 /nfs/dbraw/zinc/95/36/48/673953648.db2.gz HIMSLRLPGHRSSG-DTWKUNHWSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@H]1CC[N@@H+](CCF)C[C@H]1C[NH3+] 253184431 673953650 /nfs/dbraw/zinc/95/36/50/673953650.db2.gz HIMSLRLPGHRSSG-DTWKUNHWSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@@H]1CC[N@H+](CCF)C[C@H]1C[NH3+] 253184432 673953660 /nfs/dbraw/zinc/95/36/60/673953660.db2.gz HIMSLRLPGHRSSG-RKDXNWHRSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@@H]1CC[N@@H+](CCF)C[C@H]1C[NH3+] 253184432 673953662 /nfs/dbraw/zinc/95/36/62/673953662.db2.gz HIMSLRLPGHRSSG-RKDXNWHRSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@H]1COCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 306788917 673955686 /nfs/dbraw/zinc/95/56/86/673955686.db2.gz XPMCVZBSKBYEHP-GHMZBOCLSA-N 2 1 198.310 0.564 20 0 ACADMP C[N@@H+](CCCF)C[C@@H]1CC[NH2+]C1 212589228 673957287 /nfs/dbraw/zinc/95/72/87/673957287.db2.gz WORNUXNDFLBFLH-SECBINFHSA-N 2 1 174.263 0.887 20 0 ACADMP C[NH+](C)CCCC[NH2+]Cc1c[nH]cn1 54765296 673965757 /nfs/dbraw/zinc/96/57/57/673965757.db2.gz RBEZEFWBJJNAQF-UHFFFAOYSA-N 2 1 196.298 0.841 20 0 ACADMP C[C@H]1CC[N@H+](CCF)C[C@@H]1C[NH3+] 167659875 673968038 /nfs/dbraw/zinc/96/80/38/673968038.db2.gz HIMSLRLPGHRSSG-IUCAKERBSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@H]1CC[N@@H+](CCF)C[C@@H]1C[NH3+] 167659875 673968040 /nfs/dbraw/zinc/96/80/40/673968040.db2.gz HIMSLRLPGHRSSG-IUCAKERBSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@@H]1CC[N@H+](CCF)C[C@@H]1C[NH3+] 167659766 673968347 /nfs/dbraw/zinc/96/83/47/673968347.db2.gz HIMSLRLPGHRSSG-BDAKNGLRSA-N 2 1 174.263 0.873 20 0 ACADMP C[C@@H]1CC[N@@H+](CCF)C[C@@H]1C[NH3+] 167659766 673968349 /nfs/dbraw/zinc/96/83/49/673968349.db2.gz HIMSLRLPGHRSSG-BDAKNGLRSA-N 2 1 174.263 0.873 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CCCCCCO)C1 226410982 673968924 /nfs/dbraw/zinc/96/89/24/673968924.db2.gz PLUYORIMARWQBF-SNVBAGLBSA-N 2 1 186.299 0.572 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CCCCCCO)C1 226410982 673968926 /nfs/dbraw/zinc/96/89/26/673968926.db2.gz PLUYORIMARWQBF-SNVBAGLBSA-N 2 1 186.299 0.572 20 0 ACADMP C[N@@H+](CCC[NH3+])CCCCCCO 226423815 673969011 /nfs/dbraw/zinc/96/90/11/673969011.db2.gz YMVKLMPKTQFNLQ-UHFFFAOYSA-N 2 1 188.315 0.820 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CCCCCCO)C1 226419601 673969106 /nfs/dbraw/zinc/96/91/06/673969106.db2.gz PLUYORIMARWQBF-JTQLQIEISA-N 2 1 186.299 0.572 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CCCCCCO)C1 226419601 673969109 /nfs/dbraw/zinc/96/91/09/673969109.db2.gz PLUYORIMARWQBF-JTQLQIEISA-N 2 1 186.299 0.572 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 226677845 673969392 /nfs/dbraw/zinc/96/93/92/673969392.db2.gz YQDWMMXSWMNKJO-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP COC[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 226705527 673969459 /nfs/dbraw/zinc/96/94/59/673969459.db2.gz YDIRWPMWUUTRGO-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H](O)C[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228543923 673970791 /nfs/dbraw/zinc/97/07/91/673970791.db2.gz LUGDYCIQGGZJBB-UKKRHICBSA-N 2 1 198.310 0.426 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 229257412 673971557 /nfs/dbraw/zinc/97/15/57/673971557.db2.gz NDHCBWMHHXHJET-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 229257396 673971738 /nfs/dbraw/zinc/97/17/38/673971738.db2.gz NDHCBWMHHXHJET-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 226705535 673973266 /nfs/dbraw/zinc/97/32/66/673973266.db2.gz YDIRWPMWUUTRGO-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 702638242 673980938 /nfs/dbraw/zinc/98/09/38/673980938.db2.gz NCXLOGKVLCOZFA-CIUDSAMLSA-N 2 1 172.272 0.179 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 702638242 673980939 /nfs/dbraw/zinc/98/09/39/673980939.db2.gz NCXLOGKVLCOZFA-CIUDSAMLSA-N 2 1 172.272 0.179 20 0 ACADMP CCCC[NH2+]C[C@]1(O)CC[N@H+](C)C1 702639949 673980946 /nfs/dbraw/zinc/98/09/46/673980946.db2.gz GNAGMVWBBXFIMJ-SNVBAGLBSA-N 2 1 186.299 0.443 20 0 ACADMP CCCC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 702639949 673980947 /nfs/dbraw/zinc/98/09/47/673980947.db2.gz GNAGMVWBBXFIMJ-SNVBAGLBSA-N 2 1 186.299 0.443 20 0 ACADMP CC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 702638252 673981006 /nfs/dbraw/zinc/98/10/06/673981006.db2.gz NCXLOGKVLCOZFA-VGMNWLOBSA-N 2 1 172.272 0.179 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 702638252 673981007 /nfs/dbraw/zinc/98/10/07/673981007.db2.gz NCXLOGKVLCOZFA-VGMNWLOBSA-N 2 1 172.272 0.179 20 0 ACADMP CC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 702638257 673981060 /nfs/dbraw/zinc/98/10/60/673981060.db2.gz NCXLOGKVLCOZFA-YIZRAAEISA-N 2 1 172.272 0.179 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 702638257 673981063 /nfs/dbraw/zinc/98/10/63/673981063.db2.gz NCXLOGKVLCOZFA-YIZRAAEISA-N 2 1 172.272 0.179 20 0 ACADMP COC1CC(C[N@@H+]2CCC[C@H]([NH3+])C2)C1 703125377 673981321 /nfs/dbraw/zinc/98/13/21/673981321.db2.gz FVEAVSBZHBIYLR-YVNMAJEFSA-N 2 1 198.310 0.835 20 0 ACADMP COC1CC(C[N@H+]2CCC[C@H]([NH3+])C2)C1 703125377 673981322 /nfs/dbraw/zinc/98/13/22/673981322.db2.gz FVEAVSBZHBIYLR-YVNMAJEFSA-N 2 1 198.310 0.835 20 0 ACADMP CC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 702638245 673981450 /nfs/dbraw/zinc/98/14/50/673981450.db2.gz NCXLOGKVLCOZFA-HLTSFMKQSA-N 2 1 172.272 0.179 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@H]([NH3+])C[C@H]1C 702638245 673981452 /nfs/dbraw/zinc/98/14/52/673981452.db2.gz NCXLOGKVLCOZFA-HLTSFMKQSA-N 2 1 172.272 0.179 20 0 ACADMP COC1CC(C[N@@H+]2CC[C@@H]([NH3+])C2)C1 703165231 673981483 /nfs/dbraw/zinc/98/14/83/673981483.db2.gz UENWQLVJURAITL-HWOCKDDLSA-N 2 1 184.283 0.444 20 0 ACADMP COC1CC(C[N@H+]2CC[C@@H]([NH3+])C2)C1 703165231 673981487 /nfs/dbraw/zinc/98/14/87/673981487.db2.gz UENWQLVJURAITL-HWOCKDDLSA-N 2 1 184.283 0.444 20 0 ACADMP CCCC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 702639948 673981578 /nfs/dbraw/zinc/98/15/78/673981578.db2.gz GNAGMVWBBXFIMJ-JTQLQIEISA-N 2 1 186.299 0.443 20 0 ACADMP CCCC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 702639948 673981580 /nfs/dbraw/zinc/98/15/80/673981580.db2.gz GNAGMVWBBXFIMJ-JTQLQIEISA-N 2 1 186.299 0.443 20 0 ACADMP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 708171862 673990735 /nfs/dbraw/zinc/99/07/35/673990735.db2.gz WNALRSKSZRLHCG-OPRDCNLKSA-N 2 1 186.299 0.548 20 0 ACADMP Cc1ncccc1C[NH2+]C1CC([NH3+])C1 707813194 673990782 /nfs/dbraw/zinc/99/07/82/673990782.db2.gz ATNBSYIUNWIBRD-UHFFFAOYSA-N 2 1 191.278 0.969 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 708885880 673991620 /nfs/dbraw/zinc/99/16/20/673991620.db2.gz IJIYVYDYELSPLA-BBBLOLIVSA-N 2 1 186.299 0.284 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](CF)C1 711419007 673999905 /nfs/dbraw/zinc/99/99/05/673999905.db2.gz ZROIDADEONTWAR-VIFPVBQESA-N 2 1 174.263 0.887 20 0 ACADMP [NH3+]CCOCC[N@H+]1CC[C@@H](CF)C1 711442672 674000288 /nfs/dbraw/zinc/00/02/88/674000288.db2.gz KUKCATABUQCSPH-VIFPVBQESA-N 2 1 190.262 0.253 20 0 ACADMP FC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 711420152 674000814 /nfs/dbraw/zinc/00/08/14/674000814.db2.gz WPFHPNPXGMRNAH-UWVGGRQHSA-N 2 1 186.274 0.887 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](CCOC2CC2)C1 711669027 674001916 /nfs/dbraw/zinc/00/19/16/674001916.db2.gz FDWBHBOHKVZVHJ-JTQLQIEISA-N 2 1 198.310 0.836 20 0 ACADMP FC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 711420153 674000880 /nfs/dbraw/zinc/00/08/80/674000880.db2.gz WPFHPNPXGMRNAH-VHSXEESVSA-N 2 1 186.274 0.887 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](CF)C1 711419005 674000898 /nfs/dbraw/zinc/00/08/98/674000898.db2.gz ZROIDADEONTWAR-SECBINFHSA-N 2 1 174.263 0.887 20 0 ACADMP [NH3+]CCOCC[N@H+]1CC[C@H](CF)C1 711442650 674001048 /nfs/dbraw/zinc/00/10/48/674001048.db2.gz KUKCATABUQCSPH-SECBINFHSA-N 2 1 190.262 0.253 20 0 ACADMP FC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 711420151 674001061 /nfs/dbraw/zinc/00/10/61/674001061.db2.gz WPFHPNPXGMRNAH-NXEZZACHSA-N 2 1 186.274 0.887 20 0 ACADMP C[C@@H]1C[N@@H+](CCOC2CC2)CC[C@@H]1[NH3+] 711730410 674001359 /nfs/dbraw/zinc/00/13/59/674001359.db2.gz JSBKXDBEMWZALH-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[N@@H+](CCOC2CC2)CC[C@H]1[NH3+] 711730407 674001460 /nfs/dbraw/zinc/00/14/60/674001460.db2.gz JSBKXDBEMWZALH-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCOC2CC2)CC[C@H]1[NH3+] 711730411 674001694 /nfs/dbraw/zinc/00/16/94/674001694.db2.gz JSBKXDBEMWZALH-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[N@@H+](CCOC2CC2)CC[C@@H]1[NH3+] 711730412 674001813 /nfs/dbraw/zinc/00/18/13/674001813.db2.gz JSBKXDBEMWZALH-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCOC2CC2)C[C@H]1C[NH3+] 711681209 674001886 /nfs/dbraw/zinc/00/18/86/674001886.db2.gz MHCYHPKLDDJAAD-NXEZZACHSA-N 2 1 198.310 0.692 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOC2CC2)C1 711669028 674001934 /nfs/dbraw/zinc/00/19/34/674001934.db2.gz FDWBHBOHKVZVHJ-SNVBAGLBSA-N 2 1 198.310 0.836 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOC2CC2)C1 711744542 674002252 /nfs/dbraw/zinc/00/22/52/674002252.db2.gz AKHQKFKPOUZVKJ-UWVGGRQHSA-N 2 1 198.310 0.835 20 0 ACADMP C[N@H+](CCOC1CC1)[C@@H](C[NH3+])C1CC1 711744615 674002301 /nfs/dbraw/zinc/00/23/01/674002301.db2.gz BXVMYPGAJHXSBS-NSHDSACASA-N 2 1 198.310 0.835 20 0 ACADMP C[N@@H+](CCOC1CC1)[C@@H](C[NH3+])C1CC1 711744615 674002304 /nfs/dbraw/zinc/00/23/04/674002304.db2.gz BXVMYPGAJHXSBS-NSHDSACASA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOC2CC2)C1 711744545 674002372 /nfs/dbraw/zinc/00/23/72/674002372.db2.gz AKHQKFKPOUZVKJ-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOC1CC1 711746361 674002534 /nfs/dbraw/zinc/00/25/34/674002534.db2.gz RDADUGXQGGRJNT-VHSXEESVSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOC2CC2)C1 711744543 674002540 /nfs/dbraw/zinc/00/25/40/674002540.db2.gz AKHQKFKPOUZVKJ-VHSXEESVSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC1CC1 711746360 674002565 /nfs/dbraw/zinc/00/25/65/674002565.db2.gz RDADUGXQGGRJNT-UWVGGRQHSA-N 2 1 198.310 0.977 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC2CC2)C1 711746669 674002586 /nfs/dbraw/zinc/00/25/86/674002586.db2.gz UROOFHAEJHEWAD-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOC1CC1 711746362 674002614 /nfs/dbraw/zinc/00/26/14/674002614.db2.gz RDADUGXQGGRJNT-ZJUUUORDSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOC1CC1 711746359 674002500 /nfs/dbraw/zinc/00/25/00/674002500.db2.gz RDADUGXQGGRJNT-NXEZZACHSA-N 2 1 198.310 0.977 20 0 ACADMP C[N@H+](CCOC1CC1)[C@H](C[NH3+])C1CC1 711744614 674002507 /nfs/dbraw/zinc/00/25/07/674002507.db2.gz BXVMYPGAJHXSBS-LLVKDONJSA-N 2 1 198.310 0.835 20 0 ACADMP C[N@@H+](CCOC1CC1)[C@H](C[NH3+])C1CC1 711744614 674002508 /nfs/dbraw/zinc/00/25/08/674002508.db2.gz BXVMYPGAJHXSBS-LLVKDONJSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOC2CC2)C1 711744540 674002690 /nfs/dbraw/zinc/00/26/90/674002690.db2.gz AKHQKFKPOUZVKJ-NXEZZACHSA-N 2 1 198.310 0.835 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CCOC2CC2)C1 711746659 674002709 /nfs/dbraw/zinc/00/27/09/674002709.db2.gz UIXOVLCBXPPZLC-VIFPVBQESA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CCOC2CC2)C1 711746657 674002948 /nfs/dbraw/zinc/00/29/48/674002948.db2.gz UIXOVLCBXPPZLC-SECBINFHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOC2CC2)C1 711745080 674003195 /nfs/dbraw/zinc/00/31/95/674003195.db2.gz HFJCWASXWGEZOF-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP C[NH2+]CCC[N@H+](C)CCOC1CC1 711744945 674003153 /nfs/dbraw/zinc/00/31/53/674003153.db2.gz DWOCUKMBQLSEAT-UHFFFAOYSA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCOC1CC1 711744945 674003154 /nfs/dbraw/zinc/00/31/54/674003154.db2.gz DWOCUKMBQLSEAT-UHFFFAOYSA-N 2 1 186.299 0.707 20 0 ACADMP C[N@@H+](CCOC1CC1)C1CC([NH3+])C1 711766700 674003219 /nfs/dbraw/zinc/00/32/19/674003219.db2.gz VAUAVJKDPWJFRQ-UHFFFAOYSA-N 2 1 184.283 0.587 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+](CCOC2CC2)C1 711745048 674003236 /nfs/dbraw/zinc/00/32/36/674003236.db2.gz GQDUDQPJYNGIOK-SNVBAGLBSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOC2CC2)C1 711745045 674003292 /nfs/dbraw/zinc/00/32/92/674003292.db2.gz GQDUDQPJYNGIOK-JTQLQIEISA-N 2 1 198.310 0.836 20 0 ACADMP C(C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1)OC1CC1 711745065 674003330 /nfs/dbraw/zinc/00/33/30/674003330.db2.gz HBELUBREFNXATL-AOOOYVTPSA-N 2 1 196.294 0.317 20 0 ACADMP C[N@@H+](CCC[NH3+])CCOC1CC1 711745064 674003418 /nfs/dbraw/zinc/00/34/18/674003418.db2.gz GZHCPTWUIILBFB-UHFFFAOYSA-N 2 1 172.272 0.446 20 0 ACADMP C[C@]1(C[NH3+])CC[N@@H+](CCOC2CC2)C1 711745078 674003615 /nfs/dbraw/zinc/00/36/15/674003615.db2.gz HFJCWASXWGEZOF-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP CN1CC[C@@H]1C[NH2+]C1CC[NH+](C)CC1 712594693 674011503 /nfs/dbraw/zinc/01/15/03/674011503.db2.gz OBGUDNYEHPEDDH-LLVKDONJSA-N 2 1 197.326 0.374 20 0 ACADMP CN1CC[C@H]1C[NH2+]C1CC[NH+](C)CC1 712594694 674011692 /nfs/dbraw/zinc/01/16/92/674011692.db2.gz OBGUDNYEHPEDDH-NSHDSACASA-N 2 1 197.326 0.374 20 0 ACADMP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C 36950410 674021262 /nfs/dbraw/zinc/02/12/62/674021262.db2.gz KSZRVBVDUUUMRW-SNVBAGLBSA-N 2 1 188.315 0.686 20 0 ACADMP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C 36950409 674021484 /nfs/dbraw/zinc/02/14/84/674021484.db2.gz KSZRVBVDUUUMRW-JTQLQIEISA-N 2 1 188.315 0.686 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@@H]2[C@H](C1)C2(F)F 715497007 674022354 /nfs/dbraw/zinc/02/23/54/674022354.db2.gz ZIVWQSSQJPHWKV-OCAPTIKFSA-N 2 1 190.237 0.793 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(F)F 715497007 674022356 /nfs/dbraw/zinc/02/23/56/674022356.db2.gz ZIVWQSSQJPHWKV-OCAPTIKFSA-N 2 1 190.237 0.793 20 0 ACADMP Cc1cn[nH]c1C[NH2+]CCC(C)(C)[NH3+] 716454903 674025024 /nfs/dbraw/zinc/02/50/24/674025024.db2.gz XHXBXJYAFJVADS-UHFFFAOYSA-N 2 1 196.298 0.935 20 0 ACADMP Cc1c[nH]nc1C[NH2+]CCC(C)(C)[NH3+] 716454903 674025025 /nfs/dbraw/zinc/02/50/25/674025025.db2.gz XHXBXJYAFJVADS-UHFFFAOYSA-N 2 1 196.298 0.935 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 150038653 1169256579 /nfs/dbraw/zinc/25/65/79/1169256579.db2.gz XKMFIWUUJTVCIC-OUAUKWLOSA-N 2 1 198.310 0.848 20 0 ACADMP C[NH2+][C@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 150038653 1169256589 /nfs/dbraw/zinc/25/65/89/1169256589.db2.gz XKMFIWUUJTVCIC-OUAUKWLOSA-N 2 1 198.310 0.848 20 0 ACADMP C[N@@H+](CC1CCC1)C[C@@]1(O)CC[NH2+]C1 157138040 1169258430 /nfs/dbraw/zinc/25/84/30/1169258430.db2.gz DLDYLCIGEXJAJR-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP C[N@@H+](CC1CCC1)C[C@]1(O)CC[NH2+]C1 157137884 1169258595 /nfs/dbraw/zinc/25/85/95/1169258595.db2.gz DLDYLCIGEXJAJR-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 160049340 1169261137 /nfs/dbraw/zinc/26/11/37/1169261137.db2.gz GCIKMNKTUCNACD-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](CCF)C1 160045527 1169261284 /nfs/dbraw/zinc/26/12/84/1169261284.db2.gz WSWRAMHQUKLNGB-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]CC[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 160049473 1169261402 /nfs/dbraw/zinc/26/14/02/1169261402.db2.gz GCIKMNKTUCNACD-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](CCF)C1 160045659 1169261649 /nfs/dbraw/zinc/26/16/49/1169261649.db2.gz WSWRAMHQUKLNGB-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP C1C[NH2+][C@@H](C[N@H+]2C[C@H]3COC[C@H]3C2)C1 718175754 674060682 /nfs/dbraw/zinc/06/06/82/674060682.db2.gz RJGWWGIELQZZBB-OUAUKWLOSA-N 2 1 196.294 0.317 20 0 ACADMP C1C[NH2+][C@@H](C[N@@H+]2C[C@H]3COC[C@H]3C2)C1 718175754 674060684 /nfs/dbraw/zinc/06/06/84/674060684.db2.gz RJGWWGIELQZZBB-OUAUKWLOSA-N 2 1 196.294 0.317 20 0 ACADMP CCC[N@H+]1CC[C@@H](CNC(N)=[NH2+])C1 719179900 674064499 /nfs/dbraw/zinc/06/44/99/674064499.db2.gz ONJDJULSHXHXEG-QMMMGPOBSA-N 2 1 184.287 0.201 20 0 ACADMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC)C1 719134798 674064560 /nfs/dbraw/zinc/06/45/60/674064560.db2.gz ZQYSJBIQGRKZJF-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC)C1 719134799 674064662 /nfs/dbraw/zinc/06/46/62/674064662.db2.gz ZQYSJBIQGRKZJF-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306416293 674072330 /nfs/dbraw/zinc/07/23/30/674072330.db2.gz WBTHWGDKGRXSKB-QWRGUYRKSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@@H](O)C[N@H+]1CCC2(CC[NH2+]CC2)C1 306385715 674072494 /nfs/dbraw/zinc/07/24/94/674072494.db2.gz GUKRFAVLFMJNKK-SNVBAGLBSA-N 2 1 198.310 0.443 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306416294 674073113 /nfs/dbraw/zinc/07/31/13/674073113.db2.gz WBTHWGDKGRXSKB-WDEREUQCSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 720934986 674074522 /nfs/dbraw/zinc/07/45/22/674074522.db2.gz FQQOAMCIBISMAJ-NAKRPEOUSA-N 2 1 198.310 0.487 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 720934983 674074534 /nfs/dbraw/zinc/07/45/34/674074534.db2.gz FQQOAMCIBISMAJ-GWOFURMSSA-N 2 1 198.310 0.487 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 720934989 674075038 /nfs/dbraw/zinc/07/50/38/674075038.db2.gz FQQOAMCIBISMAJ-XWLWVQCSSA-N 2 1 198.310 0.487 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 720934979 674075077 /nfs/dbraw/zinc/07/50/77/674075077.db2.gz FQQOAMCIBISMAJ-DBIOUOCHSA-N 2 1 198.310 0.487 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccon2)C1 723702185 674079085 /nfs/dbraw/zinc/07/90/85/674079085.db2.gz YOFPQGDCWDHOLY-VIFPVBQESA-N 2 1 195.266 0.845 20 0 ACADMP CC(C)[NH2+][C@]1(C)CC[NH2+]C1 200093518 1169298815 /nfs/dbraw/zinc/29/88/15/1169298815.db2.gz KWEKAEZDHPBXDA-MRVPVSSYSA-N 2 1 142.246 0.736 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccon2)C1 723702184 674079320 /nfs/dbraw/zinc/07/93/20/674079320.db2.gz YOFPQGDCWDHOLY-SECBINFHSA-N 2 1 195.266 0.845 20 0 ACADMP COC[C@@H](C)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 723470417 674079558 /nfs/dbraw/zinc/07/95/58/674079558.db2.gz ZBQKXZXBNKJYKT-IWSPIJDZSA-N 2 1 172.272 0.300 20 0 ACADMP COC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723470417 674079559 /nfs/dbraw/zinc/07/95/59/674079559.db2.gz ZBQKXZXBNKJYKT-IWSPIJDZSA-N 2 1 172.272 0.300 20 0 ACADMP CC(C)[NH2+][C@@]1(C)CC[NH2+]C1 200093549 1169299549 /nfs/dbraw/zinc/29/95/49/1169299549.db2.gz KWEKAEZDHPBXDA-QMMMGPOBSA-N 2 1 142.246 0.736 20 0 ACADMP CC[N@@H+]1CCC[C@]12CC[NH2+]C2 211346190 1169325860 /nfs/dbraw/zinc/32/58/60/1169325860.db2.gz QDMUHBMEXAULGR-SECBINFHSA-N 2 1 154.257 0.834 20 0 ACADMP CC[N@H+]1CCC[C@]12CC[NH2+]C2 211346190 1169325869 /nfs/dbraw/zinc/32/58/69/1169325869.db2.gz QDMUHBMEXAULGR-SECBINFHSA-N 2 1 154.257 0.834 20 0 ACADMP CC[N@@H+]1CCC[C@@]12CC[NH2+]C2 211346129 1169326526 /nfs/dbraw/zinc/32/65/26/1169326526.db2.gz QDMUHBMEXAULGR-VIFPVBQESA-N 2 1 154.257 0.834 20 0 ACADMP CC[N@H+]1CCC[C@@]12CC[NH2+]C2 211346129 1169326533 /nfs/dbraw/zinc/32/65/33/1169326533.db2.gz QDMUHBMEXAULGR-VIFPVBQESA-N 2 1 154.257 0.834 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 217560765 1169335758 /nfs/dbraw/zinc/33/57/58/1169335758.db2.gz KGCWFZQGOZYCSL-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 217560683 1169336287 /nfs/dbraw/zinc/33/62/87/1169336287.db2.gz KGCWFZQGOZYCSL-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](C)O 226389625 1169374044 /nfs/dbraw/zinc/37/40/44/1169374044.db2.gz XPJWPEGDROPXIN-SNVBAGLBSA-N 2 1 188.315 0.687 20 0 ACADMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](C)O 226389629 1169375979 /nfs/dbraw/zinc/37/59/79/1169375979.db2.gz XPJWPEGDROPXIN-JTQLQIEISA-N 2 1 188.315 0.687 20 0 ACADMP CC[C@](C)(O)C[N@H+]1CCC[NH2+]CC1 229286391 1169387643 /nfs/dbraw/zinc/38/76/43/1169387643.db2.gz FMAKBVXKACCKGX-JTQLQIEISA-N 2 1 186.299 0.443 20 0 ACADMP CC[C@@](C)(O)C[N@H+]1CCC[NH2+]CC1 229286374 1169388346 /nfs/dbraw/zinc/38/83/46/1169388346.db2.gz FMAKBVXKACCKGX-SNVBAGLBSA-N 2 1 186.299 0.443 20 0 ACADMP CC[C@](C)(O)C[N@@H+]1CCC[C@@H]([NH3+])C1 229288455 1169389241 /nfs/dbraw/zinc/38/92/41/1169389241.db2.gz IBCPSVDZGQZBDY-ZJUUUORDSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@](C)(O)C[N@H+]1CCC[C@@H]([NH3+])C1 229288455 1169389249 /nfs/dbraw/zinc/38/92/49/1169389249.db2.gz IBCPSVDZGQZBDY-ZJUUUORDSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]([NH3+])C1 229288445 1169390420 /nfs/dbraw/zinc/39/04/20/1169390420.db2.gz IBCPSVDZGQZBDY-NXEZZACHSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@@](C)(O)C[N@H+]1CCC[C@@H]([NH3+])C1 229288445 1169390428 /nfs/dbraw/zinc/39/04/28/1169390428.db2.gz IBCPSVDZGQZBDY-NXEZZACHSA-N 2 1 186.299 0.571 20 0 ACADMP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 231292762 1169402570 /nfs/dbraw/zinc/40/25/70/1169402570.db2.gz LDLJGEYJUXODOD-GMTAPVOTSA-N 2 1 198.310 0.489 20 0 ACADMP OC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 231291298 1169403006 /nfs/dbraw/zinc/40/30/06/1169403006.db2.gz GVGAAMCKVAOAKJ-OPRDCNLKSA-N 2 1 184.283 0.099 20 0 ACADMP CC1(C[NH2+]CC[NH3+])CCC1 232811957 1169409194 /nfs/dbraw/zinc/40/91/94/1169409194.db2.gz RHSJVYMFMGZKFI-UHFFFAOYSA-N 2 1 142.246 0.725 20 0 ACADMP CC[N@H+](C[C@H](C)O)[C@H]1CCC[NH2+]C1 233467782 1169411473 /nfs/dbraw/zinc/41/14/73/1169411473.db2.gz YGZFNNGTXRIBMT-UWVGGRQHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@@H+](C[C@H](C)O)[C@H]1CCC[NH2+]C1 233467782 1169411476 /nfs/dbraw/zinc/41/14/76/1169411476.db2.gz YGZFNNGTXRIBMT-UWVGGRQHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@H+](CCN)Cc1cc[nH]c(=O)c1 233454064 1169411533 /nfs/dbraw/zinc/41/15/33/1169411533.db2.gz WWOKVQVMENEWQP-UHFFFAOYSA-N 2 1 195.266 0.156 20 0 ACADMP CC[N@@H+](CCN)Cc1cc[nH]c(=O)c1 233454064 1169411538 /nfs/dbraw/zinc/41/15/38/1169411538.db2.gz WWOKVQVMENEWQP-UHFFFAOYSA-N 2 1 195.266 0.156 20 0 ACADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)O)C1 233486246 1169411757 /nfs/dbraw/zinc/41/17/57/1169411757.db2.gz HNEGQDPUVZRTDU-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)O)C1 233493097 1169411921 /nfs/dbraw/zinc/41/19/21/1169411921.db2.gz HNEGQDPUVZRTDU-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP CC[NH+]1CCC(C[NH2+][C@H](C)C[NH3+])CC1 233506092 1169412178 /nfs/dbraw/zinc/41/21/78/1169412178.db2.gz KLOVEBQFAFRKRP-SNVBAGLBSA-N 3 1 199.342 0.655 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@@H](C)C[NH3+])C1 233488127 1169413412 /nfs/dbraw/zinc/41/34/12/1169413412.db2.gz ZVRAUCWEIJFPGJ-VHSXEESVSA-N 2 1 185.315 0.408 20 0 ACADMP CC[NH+]1CCC(C[NH2+][C@@H](C)C[NH3+])CC1 233505882 1169413431 /nfs/dbraw/zinc/41/34/31/1169413431.db2.gz KLOVEBQFAFRKRP-JTQLQIEISA-N 3 1 199.342 0.655 20 0 ACADMP CC[N@H+](C[C@@H](C)O)[C@H]1CCC[NH2+]C1 233486936 1169413601 /nfs/dbraw/zinc/41/36/01/1169413601.db2.gz YGZFNNGTXRIBMT-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@@H+](C[C@@H](C)O)[C@H]1CCC[NH2+]C1 233486936 1169413602 /nfs/dbraw/zinc/41/36/02/1169413602.db2.gz YGZFNNGTXRIBMT-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@@H](C)C[NH3+])C1 233502540 1169413875 /nfs/dbraw/zinc/41/38/75/1169413875.db2.gz ZVRAUCWEIJFPGJ-UWVGGRQHSA-N 2 1 185.315 0.408 20 0 ACADMP C[N@@H+](CCN)CCCCCCO 234276451 1169416934 /nfs/dbraw/zinc/41/69/34/1169416934.db2.gz FNPNFFRUNLPJFV-UHFFFAOYSA-N 2 1 174.288 0.430 20 0 ACADMP C[N@H+](CC[NH3+])CCCCCCO 234276451 1169416937 /nfs/dbraw/zinc/41/69/37/1169416937.db2.gz FNPNFFRUNLPJFV-UHFFFAOYSA-N 2 1 174.288 0.430 20 0 ACADMP C[N@@H+](CC[NH3+])CCCCCCO 234276451 1169416941 /nfs/dbraw/zinc/41/69/41/1169416941.db2.gz FNPNFFRUNLPJFV-UHFFFAOYSA-N 2 1 174.288 0.430 20 0 ACADMP C[N@H+](CC[NH3+])[C@@H]1CCCC[C@H]1O 249978514 1169424665 /nfs/dbraw/zinc/42/46/65/1169424665.db2.gz KEHMHATXGADMKY-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[N@@H+](CC[NH3+])[C@@H]1CCCC[C@H]1O 249978514 1169424674 /nfs/dbraw/zinc/42/46/74/1169424674.db2.gz KEHMHATXGADMKY-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 250471523 1169425736 /nfs/dbraw/zinc/42/57/36/1169425736.db2.gz QVZIEDAAYOOFAH-GMTAPVOTSA-N 2 1 198.310 0.896 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 251051281 1169427312 /nfs/dbraw/zinc/42/73/12/1169427312.db2.gz OLFWYAXGDDGEHF-UTLUCORTSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@H](O)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 251086079 1169427410 /nfs/dbraw/zinc/42/74/10/1169427410.db2.gz XQDFUXVQEJSPSU-KXUCPTDWSA-N 2 1 186.299 0.297 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 251051278 1169428128 /nfs/dbraw/zinc/42/81/28/1169428128.db2.gz OLFWYAXGDDGEHF-GUBZILKMSA-N 2 1 186.299 0.297 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 251051275 1169428280 /nfs/dbraw/zinc/42/82/80/1169428280.db2.gz OLFWYAXGDDGEHF-BBBLOLIVSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@H](O)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 251086082 1169428294 /nfs/dbraw/zinc/42/82/94/1169428294.db2.gz XQDFUXVQEJSPSU-LPEHRKFASA-N 2 1 186.299 0.297 20 0 ACADMP C[C@@H]1COCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 251909427 1169430829 /nfs/dbraw/zinc/43/08/29/1169430829.db2.gz XBBTUBJRLCCNEY-OUAUKWLOSA-N 2 1 198.310 0.835 20 0 ACADMP CC[C@@H]1C[N@H+]([C@@H]2CCOC2)CC[C@H]1[NH3+] 251734132 1169431135 /nfs/dbraw/zinc/43/11/35/1169431135.db2.gz KNNDAOUYPHJHIU-GMTAPVOTSA-N 2 1 198.310 0.835 20 0 ACADMP CC[C@@H]1C[N@H+]([C@H]2CCOC2)CC[C@@H]1[NH3+] 251734135 1169431195 /nfs/dbraw/zinc/43/11/95/1169431195.db2.gz KNNDAOUYPHJHIU-VWYCJHECSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 251556154 1169431829 /nfs/dbraw/zinc/43/18/29/1169431829.db2.gz LYWSLKLWLYBPIX-AXFHLTTASA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 251556161 1169431894 /nfs/dbraw/zinc/43/18/94/1169431894.db2.gz LYWSLKLWLYBPIX-DCAQKATOSA-N 2 1 198.310 0.835 20 0 ACADMP CC[C@@H]1C[N@H+]([C@H]2CCOC2)CC[C@H]1[NH3+] 251734133 1169432241 /nfs/dbraw/zinc/43/22/41/1169432241.db2.gz KNNDAOUYPHJHIU-OUAUKWLOSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252793551 1169434036 /nfs/dbraw/zinc/43/40/36/1169434036.db2.gz XJWBDAMQSDJBCX-AATLWQCWSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 252793552 1169434226 /nfs/dbraw/zinc/43/42/26/1169434226.db2.gz XJWBDAMQSDJBCX-QCLAVDOMSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 252793553 1169434716 /nfs/dbraw/zinc/43/47/16/1169434716.db2.gz XJWBDAMQSDJBCX-SGIHWFKDSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@@H]1CC[N@H+]([C@@H]2CCOC2)C[C@H]1C[NH3+] 253192921 1169435383 /nfs/dbraw/zinc/43/53/83/1169435383.db2.gz NWWUQUFAWYITRE-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@@](C)(O)C[N@@H+]1CCC[C@H]([NH3+])C1 253261085 1169435695 /nfs/dbraw/zinc/43/56/95/1169435695.db2.gz IBCPSVDZGQZBDY-VHSXEESVSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@@](C)(O)C[N@H+]1CCC[C@H]([NH3+])C1 253261085 1169435698 /nfs/dbraw/zinc/43/56/98/1169435698.db2.gz IBCPSVDZGQZBDY-VHSXEESVSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@@H]1CC[N@H+]([C@H]2CCOC2)C[C@H]1C[NH3+] 253192922 1169436660 /nfs/dbraw/zinc/43/66/60/1169436660.db2.gz NWWUQUFAWYITRE-MXWKQRLJSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1CC[N@H+]([C@H]2CCOC2)C[C@@H]1C[NH3+] 253192923 1169437175 /nfs/dbraw/zinc/43/71/75/1169437175.db2.gz NWWUQUFAWYITRE-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@](C)(O)C[N@@H+]1CCC[C@H]([NH3+])C1 253261084 1169437867 /nfs/dbraw/zinc/43/78/67/1169437867.db2.gz IBCPSVDZGQZBDY-UWVGGRQHSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@](C)(O)C[N@H+]1CCC[C@H]([NH3+])C1 253261084 1169437871 /nfs/dbraw/zinc/43/78/71/1169437871.db2.gz IBCPSVDZGQZBDY-UWVGGRQHSA-N 2 1 186.299 0.571 20 0 ACADMP C[N@H+](CC1CCC1)C[C@H](O)CC[NH3+] 260187316 1169448036 /nfs/dbraw/zinc/44/80/36/1169448036.db2.gz SOSXDPSOWOAVQH-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@H+](CC1CCC1)C[C@@H](O)CC[NH3+] 260187311 1169449220 /nfs/dbraw/zinc/44/92/20/1169449220.db2.gz SOSXDPSOWOAVQH-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1CC[N@H+](CCO)[C@H](C[NH3+])C1 300040661 1169459894 /nfs/dbraw/zinc/45/98/94/1169459894.db2.gz SQUSRCDOVJMLHV-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1CC[N@@H+](CCO)[C@H](C[NH3+])C1 300040661 1169459899 /nfs/dbraw/zinc/45/98/99/1169459899.db2.gz SQUSRCDOVJMLHV-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] 300219658 1169459910 /nfs/dbraw/zinc/45/99/10/1169459910.db2.gz BFZMGSPOJBDIBV-BBBLOLIVSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] 300219658 1169459912 /nfs/dbraw/zinc/45/99/12/1169459912.db2.gz BFZMGSPOJBDIBV-BBBLOLIVSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] 300036219 1169459989 /nfs/dbraw/zinc/45/99/89/1169459989.db2.gz BFZMGSPOJBDIBV-UTLUCORTSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] 300036219 1169459992 /nfs/dbraw/zinc/45/99/92/1169459992.db2.gz BFZMGSPOJBDIBV-UTLUCORTSA-N 2 1 186.299 0.426 20 0 ACADMP CO[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 300038746 1169460432 /nfs/dbraw/zinc/46/04/32/1169460432.db2.gz FVVVKONQEIFHMF-OUAUKWLOSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 300372631 1169461337 /nfs/dbraw/zinc/46/13/37/1169461337.db2.gz GDTXSVOLKDSLQN-VWYCJHECSA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 300365295 1169461643 /nfs/dbraw/zinc/46/16/43/1169461643.db2.gz QVXVORIPJFYRDQ-GARJFASQSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCO1 300372629 1169462218 /nfs/dbraw/zinc/46/22/18/1169462218.db2.gz GDTXSVOLKDSLQN-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 300365296 1169462337 /nfs/dbraw/zinc/46/23/37/1169462337.db2.gz QVXVORIPJFYRDQ-OUAUKWLOSA-N 2 1 198.310 0.896 20 0 ACADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300870121 1169463787 /nfs/dbraw/zinc/46/37/87/1169463787.db2.gz KPJOOYMMYYQFLJ-OPRDCNLKSA-N 2 1 186.299 0.282 20 0 ACADMP CC(C)[C@H](O)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300870121 1169463789 /nfs/dbraw/zinc/46/37/89/1169463789.db2.gz KPJOOYMMYYQFLJ-OPRDCNLKSA-N 2 1 186.299 0.282 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 306199620 1169466300 /nfs/dbraw/zinc/46/63/00/1169466300.db2.gz RPMNAARFHMUAMK-AXFHLTTASA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 306199620 1169466305 /nfs/dbraw/zinc/46/63/05/1169466305.db2.gz RPMNAARFHMUAMK-AXFHLTTASA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 306199629 1169466374 /nfs/dbraw/zinc/46/63/74/1169466374.db2.gz RPMNAARFHMUAMK-HBNTYKKESA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 306199629 1169466377 /nfs/dbraw/zinc/46/63/77/1169466377.db2.gz RPMNAARFHMUAMK-HBNTYKKESA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 306199624 1169466445 /nfs/dbraw/zinc/46/64/45/1169466445.db2.gz RPMNAARFHMUAMK-GMTAPVOTSA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 306199624 1169466448 /nfs/dbraw/zinc/46/64/48/1169466448.db2.gz RPMNAARFHMUAMK-GMTAPVOTSA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 306199634 1169466468 /nfs/dbraw/zinc/46/64/68/1169466468.db2.gz RPMNAARFHMUAMK-MXWKQRLJSA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 306199634 1169466471 /nfs/dbraw/zinc/46/64/71/1169466471.db2.gz RPMNAARFHMUAMK-MXWKQRLJSA-N 2 1 198.310 0.571 20 0 ACADMP C[C@H]([NH3+])[C@@H](C)[NH2+][C@H]1CCCN(C)C1 306259150 1169468942 /nfs/dbraw/zinc/46/89/42/1169468942.db2.gz ZTUBWKPRIRHSAN-AEJSXWLSSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@@H](C)N[C@H]1CCC[N@@H+](C)C1 306259150 1169468936 /nfs/dbraw/zinc/46/89/36/1169468936.db2.gz ZTUBWKPRIRHSAN-AEJSXWLSSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@@H](C)N[C@@H]1CCC[N@@H+](C)C1 306259152 1169469077 /nfs/dbraw/zinc/46/90/77/1169469077.db2.gz ZTUBWKPRIRHSAN-IVZWLZJFSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 306259152 1169469079 /nfs/dbraw/zinc/46/90/79/1169469079.db2.gz ZTUBWKPRIRHSAN-IVZWLZJFSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@H](C)N[C@H]1CCC[N@@H+](C)C1 306259151 1169469417 /nfs/dbraw/zinc/46/94/17/1169469417.db2.gz ZTUBWKPRIRHSAN-GUBZILKMSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCN(C)C1 306259151 1169469420 /nfs/dbraw/zinc/46/94/20/1169469420.db2.gz ZTUBWKPRIRHSAN-GUBZILKMSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[N@@H+](C)C1 306259153 1169469517 /nfs/dbraw/zinc/46/95/17/1169469517.db2.gz ZTUBWKPRIRHSAN-LPEHRKFASA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCN(C)C1 306259153 1169469521 /nfs/dbraw/zinc/46/95/21/1169469521.db2.gz ZTUBWKPRIRHSAN-LPEHRKFASA-N 2 1 185.315 0.406 20 0 ACADMP C1C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@@H]2[NH2+]1 306457932 1169480811 /nfs/dbraw/zinc/48/08/11/1169480811.db2.gz XAEOPZKFMWOTBL-MXWKQRLJSA-N 2 1 196.294 0.459 20 0 ACADMP C1C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@H]2[NH2+]1 306457933 1169481519 /nfs/dbraw/zinc/48/15/19/1169481519.db2.gz XAEOPZKFMWOTBL-OUAUKWLOSA-N 2 1 196.294 0.459 20 0 ACADMP C1C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@H]2[NH2+]1 306457931 1169481589 /nfs/dbraw/zinc/48/15/89/1169481589.db2.gz XAEOPZKFMWOTBL-GMTAPVOTSA-N 2 1 196.294 0.459 20 0 ACADMP C1C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@@H]2[NH2+]1 306457934 1169481616 /nfs/dbraw/zinc/48/16/16/1169481616.db2.gz XAEOPZKFMWOTBL-VWYCJHECSA-N 2 1 196.294 0.459 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCOC1 307060945 1169498976 /nfs/dbraw/zinc/49/89/76/1169498976.db2.gz KDNLLHLCFKOLKI-DCAQKATOSA-N 2 1 198.310 0.753 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCOC1 307060944 1169499286 /nfs/dbraw/zinc/49/92/86/1169499286.db2.gz KDNLLHLCFKOLKI-AXFHLTTASA-N 2 1 198.310 0.753 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCOC1 307060946 1169499644 /nfs/dbraw/zinc/49/96/44/1169499644.db2.gz KDNLLHLCFKOLKI-GARJFASQSA-N 2 1 198.310 0.753 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCOC1 307060947 1169499687 /nfs/dbraw/zinc/49/96/87/1169499687.db2.gz KDNLLHLCFKOLKI-HBNTYKKESA-N 2 1 198.310 0.753 20 0 ACADMP CO[C@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 307199697 1169508961 /nfs/dbraw/zinc/50/89/61/1169508961.db2.gz CQKKXBSXWQAQOH-AXFHLTTASA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H](O)[C@@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 307227178 1169510506 /nfs/dbraw/zinc/51/05/06/1169510506.db2.gz GTSOXBASJXQLJO-XXFSISAASA-N 2 1 198.310 0.248 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 307227178 1169510498 /nfs/dbraw/zinc/51/04/98/1169510498.db2.gz GTSOXBASJXQLJO-XXFSISAASA-N 2 1 198.310 0.248 20 0 ACADMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@H]1O 307220672 1169511582 /nfs/dbraw/zinc/51/15/82/1169511582.db2.gz IBEFAKZRFDEFJI-DJLDLDEBSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@H]1O 307220672 1169511587 /nfs/dbraw/zinc/51/15/87/1169511587.db2.gz IBEFAKZRFDEFJI-DJLDLDEBSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 307227176 1169511983 /nfs/dbraw/zinc/51/19/83/1169511983.db2.gz GTSOXBASJXQLJO-LADJIXMOSA-N 2 1 198.310 0.248 20 0 ACADMP C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 307227176 1169511990 /nfs/dbraw/zinc/51/19/90/1169511990.db2.gz GTSOXBASJXQLJO-LADJIXMOSA-N 2 1 198.310 0.248 20 0 ACADMP CC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 307329083 1169514782 /nfs/dbraw/zinc/51/47/82/1169514782.db2.gz LBKJADFPEFBQNG-IWSPIJDZSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 307329083 1169514787 /nfs/dbraw/zinc/51/47/87/1169514787.db2.gz LBKJADFPEFBQNG-IWSPIJDZSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H](N)C[N@@H+](C)C1CCC([NH3+])CC1 307412981 1169519746 /nfs/dbraw/zinc/51/97/46/1169519746.db2.gz HDGQFLPFGCFCAO-XNWIYYODSA-N 2 1 185.315 0.535 20 0 ACADMP C[C@@H]([NH3+])CN(C)C1CCC([NH3+])CC1 307412981 1169519750 /nfs/dbraw/zinc/51/97/50/1169519750.db2.gz HDGQFLPFGCFCAO-XNWIYYODSA-N 2 1 185.315 0.535 20 0 ACADMP C[C@H](N)C[N@@H+](C)C1CCC([NH3+])CC1 307412980 1169520069 /nfs/dbraw/zinc/52/00/69/1169520069.db2.gz HDGQFLPFGCFCAO-IDKOKCKLSA-N 2 1 185.315 0.535 20 0 ACADMP C[C@H]([NH3+])CN(C)C1CCC([NH3+])CC1 307412980 1169520073 /nfs/dbraw/zinc/52/00/73/1169520073.db2.gz HDGQFLPFGCFCAO-IDKOKCKLSA-N 2 1 185.315 0.535 20 0 ACADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)C[C@H]1[NH3+] 307583855 1169529403 /nfs/dbraw/zinc/52/94/03/1169529403.db2.gz GAUPGWOZXDQJGO-GMTAPVOTSA-N 2 1 197.326 0.360 20 0 ACADMP C1C[C@@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CO1 307590475 1169530716 /nfs/dbraw/zinc/53/07/16/1169530716.db2.gz BREDGGINNCSBIU-GARJFASQSA-N 2 1 196.294 0.317 20 0 ACADMP C1C[C@@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CO1 307590475 1169530729 /nfs/dbraw/zinc/53/07/29/1169530729.db2.gz BREDGGINNCSBIU-GARJFASQSA-N 2 1 196.294 0.317 20 0 ACADMP C1C[C@H](C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CO1 307590476 1169532286 /nfs/dbraw/zinc/53/22/86/1169532286.db2.gz BREDGGINNCSBIU-OUAUKWLOSA-N 2 1 196.294 0.317 20 0 ACADMP C1C[C@H](C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CO1 307590476 1169532289 /nfs/dbraw/zinc/53/22/89/1169532289.db2.gz BREDGGINNCSBIU-OUAUKWLOSA-N 2 1 196.294 0.317 20 0 ACADMP C[C@H](O)CCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 308254627 1169547017 /nfs/dbraw/zinc/54/70/17/1169547017.db2.gz IENUQZLYRXVTSV-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)CCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 308254627 1169547023 /nfs/dbraw/zinc/54/70/23/1169547023.db2.gz IENUQZLYRXVTSV-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP CC(C)(C[NH3+])[NH2+]Cc1cc[nH]c(=O)c1 308480688 1169550224 /nfs/dbraw/zinc/55/02/24/1169550224.db2.gz MRZJZZAXNQQTBE-UHFFFAOYSA-N 2 1 195.266 0.614 20 0 ACADMP CC[C@@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 308981180 1169552575 /nfs/dbraw/zinc/55/25/75/1169552575.db2.gz IEMSROXAKIXWTN-RNFRBKRXSA-N 2 1 198.270 0.630 20 0 ACADMP CC[C@@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 308981179 1169552672 /nfs/dbraw/zinc/55/26/72/1169552672.db2.gz IEMSROXAKIXWTN-NKWVEPMBSA-N 2 1 198.270 0.630 20 0 ACADMP COC[C@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 378735856 1169562071 /nfs/dbraw/zinc/56/20/71/1169562071.db2.gz NACAJYASMHUSRF-OUAUKWLOSA-N 2 1 198.310 0.563 20 0 ACADMP COC[C@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 378735856 1169562082 /nfs/dbraw/zinc/56/20/82/1169562082.db2.gz NACAJYASMHUSRF-OUAUKWLOSA-N 2 1 198.310 0.563 20 0 ACADMP COC[C@@H](C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 378735855 1169562379 /nfs/dbraw/zinc/56/23/79/1169562379.db2.gz NACAJYASMHUSRF-GARJFASQSA-N 2 1 198.310 0.563 20 0 ACADMP COC[C@@H](C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 378735855 1169562386 /nfs/dbraw/zinc/56/23/86/1169562386.db2.gz NACAJYASMHUSRF-GARJFASQSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+]Cc1nccn1C 379388628 1169580473 /nfs/dbraw/zinc/58/04/73/1169580473.db2.gz JRKFZXFBHWOZNB-QMMMGPOBSA-N 2 1 182.271 0.105 20 0 ACADMP C[C@H](C[NH3+])C[NH2+]Cc1nccn1C 379388627 1169580741 /nfs/dbraw/zinc/58/07/41/1169580741.db2.gz JRKFZXFBHWOZNB-MRVPVSSYSA-N 2 1 182.271 0.105 20 0 ACADMP CC(C)(C[NH3+])[NH2+]Cc1ccc(=O)[nH]c1 379498332 1169587301 /nfs/dbraw/zinc/58/73/01/1169587301.db2.gz DIZYUKBUAVIPGS-UHFFFAOYSA-N 2 1 195.266 0.614 20 0 ACADMP COCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 379598197 1169588821 /nfs/dbraw/zinc/58/88/21/1169588821.db2.gz HBGXKGHYCXGCSH-MNOVXSKESA-N 2 1 198.310 0.564 20 0 ACADMP C[NH2+][C@H](C)Cc1noc([C@@H](C)[NH3+])n1 379596276 1169590057 /nfs/dbraw/zinc/59/00/57/1169590057.db2.gz FKWBSRVIHVIKBX-PHDIDXHHSA-N 2 1 184.243 0.240 20 0 ACADMP C[NH2+][C@@H](C)Cc1noc([C@@H](C)[NH3+])n1 379596260 1169590690 /nfs/dbraw/zinc/59/06/90/1169590690.db2.gz FKWBSRVIHVIKBX-NTSWFWBYSA-N 2 1 184.243 0.240 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](CO)[C@H]1C 385789277 1169609965 /nfs/dbraw/zinc/60/99/65/1169609965.db2.gz NEZINOSGEKVWND-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](CO)[C@H]1C 385789271 1169610037 /nfs/dbraw/zinc/61/00/37/1169610037.db2.gz NEZINOSGEKVWND-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](CO)[C@@H]1C 385789274 1169610203 /nfs/dbraw/zinc/61/02/03/1169610203.db2.gz NEZINOSGEKVWND-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP CC[C@H](C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1)OC 386163751 1169610599 /nfs/dbraw/zinc/61/05/99/1169610599.db2.gz VITQAUMOYNQVMQ-OPRDCNLKSA-N 2 1 186.299 0.690 20 0 ACADMP CC[C@H](C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1)OC 386163751 1169610605 /nfs/dbraw/zinc/61/06/05/1169610605.db2.gz VITQAUMOYNQVMQ-OPRDCNLKSA-N 2 1 186.299 0.690 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](CO)[C@@H]1C 385789272 1169611427 /nfs/dbraw/zinc/61/14/27/1169611427.db2.gz NEZINOSGEKVWND-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H]1CCC[N@@H+](C[C@@H](O)CC[NH3+])C1 388122100 1169619613 /nfs/dbraw/zinc/61/96/13/1169619613.db2.gz UUHYFGIUZWNZQR-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H]1CCC[N@@H+](C[C@H](O)CC[NH3+])C1 388122104 1169620206 /nfs/dbraw/zinc/62/02/06/1169620206.db2.gz UUHYFGIUZWNZQR-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[NH2+][C@H](C)Cc1noc(C(C)(C)[NH3+])n1 389580070 1169638931 /nfs/dbraw/zinc/63/89/31/1169638931.db2.gz GJDKIQDSBFXHMK-ZCFIWIBFSA-N 2 1 198.270 0.414 20 0 ACADMP C[NH2+][C@@H](C)Cc1noc(C(C)(C)[NH3+])n1 389580067 1169639550 /nfs/dbraw/zinc/63/95/50/1169639550.db2.gz GJDKIQDSBFXHMK-LURJTMIESA-N 2 1 198.270 0.414 20 0 ACADMP C[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CCCCN1 395124726 1169652450 /nfs/dbraw/zinc/65/24/50/1169652450.db2.gz WAKDTCSTOCLFIZ-MNOVXSKESA-N 2 1 199.342 0.846 20 0 ACADMP C[C@H]([NH2+]CCCC[NH3+])[C@@H]1CCCCN1 395124728 1169652687 /nfs/dbraw/zinc/65/26/87/1169652687.db2.gz WAKDTCSTOCLFIZ-QWRGUYRKSA-N 2 1 199.342 0.846 20 0 ACADMP C[C@H]([NH2+]CCCC[NH3+])[C@H]1CCCCN1 395124729 1169652932 /nfs/dbraw/zinc/65/29/32/1169652932.db2.gz WAKDTCSTOCLFIZ-WDEREUQCSA-N 2 1 199.342 0.846 20 0 ACADMP CCn1ccnc1C[NH2+]C[C@H](C)C[NH3+] 395500267 1169653399 /nfs/dbraw/zinc/65/33/99/1169653399.db2.gz KASOHYGZTYWEKP-SECBINFHSA-N 2 1 196.298 0.587 20 0 ACADMP C[N@@H+](CCCO)CCCCCC[NH3+] 395402420 1169653805 /nfs/dbraw/zinc/65/38/05/1169653805.db2.gz UAILGKSZLYORKZ-UHFFFAOYSA-N 2 1 188.315 0.820 20 0 ACADMP C[C@@H]([NH2+]CCCC[NH3+])[C@H]1CCCCN1 395124722 1169653943 /nfs/dbraw/zinc/65/39/43/1169653943.db2.gz WAKDTCSTOCLFIZ-GHMZBOCLSA-N 2 1 199.342 0.846 20 0 ACADMP CCn1ccnc1C[NH2+]C[C@@H](C)C[NH3+] 395500272 1169654235 /nfs/dbraw/zinc/65/42/35/1169654235.db2.gz KASOHYGZTYWEKP-VIFPVBQESA-N 2 1 196.298 0.587 20 0 ACADMP COC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396516793 1169656277 /nfs/dbraw/zinc/65/62/77/1169656277.db2.gz BAAPMJARBPUHFD-IVZWLZJFSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@H](C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1)C1CC1 400145921 1169675329 /nfs/dbraw/zinc/67/53/29/1169675329.db2.gz NSTLUXNXKISUHF-FBIMIBRVSA-N 2 1 198.310 0.690 20 0 ACADMP CO[C@H](C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1)C1CC1 400145921 1169675334 /nfs/dbraw/zinc/67/53/34/1169675334.db2.gz NSTLUXNXKISUHF-FBIMIBRVSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H](C)O 401872139 1169678049 /nfs/dbraw/zinc/67/80/49/1169678049.db2.gz LLEOEJJKDQBCBR-DTWKUNHWSA-N 2 1 197.282 0.322 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 401708412 1169678936 /nfs/dbraw/zinc/67/89/36/1169678936.db2.gz GGRLXLBRRBBWQH-LNFKQOIKSA-N 2 1 198.310 0.487 20 0 ACADMP CC[C@H](O)C[NH2+]CCc1c[nH+]cn1C 401879266 1169678962 /nfs/dbraw/zinc/67/89/62/1169678962.db2.gz PMIOJDIVHUEOFF-JTQLQIEISA-N 2 1 197.282 0.323 20 0 ACADMP C[C@H](O)[C@H](C)[NH2+]CCc1c[nH+]cn1C 401872140 1169679013 /nfs/dbraw/zinc/67/90/13/1169679013.db2.gz LLEOEJJKDQBCBR-IUCAKERBSA-N 2 1 197.282 0.322 20 0 ACADMP C[C@@H](O)[C@@H](C)[NH2+]CCc1c[nH+]cn1C 401872141 1169679979 /nfs/dbraw/zinc/67/99/79/1169679979.db2.gz LLEOEJJKDQBCBR-RKDXNWHRSA-N 2 1 197.282 0.322 20 0 ACADMP C[C@H](O)[C@@H](C)[NH2+]CCc1c[nH+]cn1C 401872137 1169680381 /nfs/dbraw/zinc/68/03/81/1169680381.db2.gz LLEOEJJKDQBCBR-BDAKNGLRSA-N 2 1 197.282 0.322 20 0 ACADMP CC[C@@H](O)C[NH2+]CCc1c[nH+]cn1C 401879267 1169680451 /nfs/dbraw/zinc/68/04/51/1169680451.db2.gz PMIOJDIVHUEOFF-SNVBAGLBSA-N 2 1 197.282 0.323 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@@H](C)C[C@@H](O)C1 401552810 1169680582 /nfs/dbraw/zinc/68/05/82/1169680582.db2.gz UASAQLIIYDPBFQ-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CF)C1 642845821 1169695962 /nfs/dbraw/zinc/69/59/62/1169695962.db2.gz CSXAMWNAQKKVIG-SFYZADRCSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CF)C1 642845821 1169695968 /nfs/dbraw/zinc/69/59/68/1169695968.db2.gz CSXAMWNAQKKVIG-SFYZADRCSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](CF)C1 642845822 1169696095 /nfs/dbraw/zinc/69/60/95/1169696095.db2.gz CSXAMWNAQKKVIG-YUMQZZPRSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](CF)C1 642845822 1169696101 /nfs/dbraw/zinc/69/61/01/1169696101.db2.gz CSXAMWNAQKKVIG-YUMQZZPRSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](CF)C1 642845820 1169696279 /nfs/dbraw/zinc/69/62/79/1169696279.db2.gz CSXAMWNAQKKVIG-JGVFFNPUSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](CF)C1 642845820 1169696284 /nfs/dbraw/zinc/69/62/84/1169696284.db2.gz CSXAMWNAQKKVIG-JGVFFNPUSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]1CCC[N@H+](CC[NH3+])[C@@H]1CO 642868621 1169696312 /nfs/dbraw/zinc/69/63/12/1169696312.db2.gz VRVQPECPQJPSDB-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1CCC[N@@H+](CC[NH3+])[C@@H]1CO 642868621 1169696317 /nfs/dbraw/zinc/69/63/17/1169696317.db2.gz VRVQPECPQJPSDB-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H](CF)C1 642845819 1169696604 /nfs/dbraw/zinc/69/66/04/1169696604.db2.gz CSXAMWNAQKKVIG-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](CF)C1 642845819 1169696609 /nfs/dbraw/zinc/69/66/09/1169696609.db2.gz CSXAMWNAQKKVIG-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 707668107 1169718067 /nfs/dbraw/zinc/71/80/67/1169718067.db2.gz KZXNEGJWKMNNDR-JGZJWPJOSA-N 2 1 198.310 0.441 20 0 ACADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 720993815 1169758131 /nfs/dbraw/zinc/75/81/31/1169758131.db2.gz FHGOCEOFXIATIS-JGZJWPJOSA-N 2 1 198.310 0.441 20 0 ACADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 720935968 1169756619 /nfs/dbraw/zinc/75/66/19/1169756619.db2.gz FHGOCEOFXIATIS-HOMQSWHASA-N 2 1 198.310 0.441 20 0 ACADMP CC(C)[C@@H](O)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 723475972 1169771064 /nfs/dbraw/zinc/77/10/64/1169771064.db2.gz KPJOOYMMYYQFLJ-BBBLOLIVSA-N 2 1 186.299 0.282 20 0 ACADMP CC(C)[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723475972 1169771067 /nfs/dbraw/zinc/77/10/67/1169771067.db2.gz KPJOOYMMYYQFLJ-BBBLOLIVSA-N 2 1 186.299 0.282 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 1256196443 1169960710 /nfs/dbraw/zinc/96/07/10/1169960710.db2.gz KZXNEGJWKMNNDR-HOMQSWHASA-N 2 1 198.310 0.441 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 1256195373 1169961567 /nfs/dbraw/zinc/96/15/67/1169961567.db2.gz PRQYOEQOAQOBHD-AOOOYVTPSA-N 2 1 184.283 0.194 20 0 ACADMP C[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 70879938 566262288 /nfs/dbraw/zinc/26/22/88/566262288.db2.gz BOJZCNXEFJFIKX-NSHDSACASA-N 2 1 198.310 0.441 20 0 ACADMP C[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 70879943 566262618 /nfs/dbraw/zinc/26/26/18/566262618.db2.gz BOJZCNXEFJFIKX-LLVKDONJSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](C[NH3+])[C@@]1(O)CC[N@H+]2CCC[C@@H]21 123436114 566263500 /nfs/dbraw/zinc/26/35/00/566263500.db2.gz JGHNWBYUMVLNSQ-BBBLOLIVSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](C[NH3+])[C@]1(O)CC[N@H+]2CCC[C@@H]21 123435660 566264382 /nfs/dbraw/zinc/26/43/82/566264382.db2.gz JGHNWBYUMVLNSQ-OPRDCNLKSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N(C)C 222973619 566280637 /nfs/dbraw/zinc/28/06/37/566280637.db2.gz KLVVVYWJWUWQSH-GMTAPVOTSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N(C)C 222973744 566280680 /nfs/dbraw/zinc/28/06/80/566280680.db2.gz KLVVVYWJWUWQSH-MXWKQRLJSA-N 2 1 199.342 0.796 20 0 ACADMP CC[C@H](NCCCC[NH3+])[C@@H]1CCC[NH2+]1 1261424622 1170114066 /nfs/dbraw/zinc/11/40/66/1170114066.db2.gz ZFCMVRXSGNYWGQ-QWRGUYRKSA-N 2 1 199.342 0.846 20 0 ACADMP CC[C@@H](NCCCC[NH3+])[C@@H]1CCC[NH2+]1 1261424621 1170114429 /nfs/dbraw/zinc/11/44/29/1170114429.db2.gz ZFCMVRXSGNYWGQ-MNOVXSKESA-N 2 1 199.342 0.846 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1NCCCC[NH3+] 1262202159 1170128812 /nfs/dbraw/zinc/12/88/12/1170128812.db2.gz ONWXFLFOYWDBHD-VIFPVBQESA-N 2 1 185.315 0.455 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1NCCCC[NH3+] 1262202158 1170129504 /nfs/dbraw/zinc/12/95/04/1170129504.db2.gz ONWXFLFOYWDBHD-SECBINFHSA-N 2 1 185.315 0.455 20 0 ACADMP CN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 1327255512 1170248082 /nfs/dbraw/zinc/24/80/82/1170248082.db2.gz OGKSEQZNCMBFKC-QMMMGPOBSA-N 2 1 184.287 0.024 20 0 ACADMP CN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 1327255510 1170248788 /nfs/dbraw/zinc/24/87/88/1170248788.db2.gz OGKSEQZNCMBFKC-MRVPVSSYSA-N 2 1 184.287 0.024 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+]C[C@@]12C[NH2+]C[C@@H]1C2 1329975774 1170275564 /nfs/dbraw/zinc/27/55/64/1170275564.db2.gz IPTJPRJLUFFGNK-DCAQKATOSA-N 3 1 197.326 0.041 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+]C[C@]12C[NH2+]C[C@H]1C2 1329975778 1170275671 /nfs/dbraw/zinc/27/56/71/1170275671.db2.gz IPTJPRJLUFFGNK-HBNTYKKESA-N 3 1 197.326 0.041 20 0 ACADMP N[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 1330183619 1170277148 /nfs/dbraw/zinc/27/71/48/1170277148.db2.gz VPJQQRCAOSFTQU-AATLWQCWSA-N 2 1 183.299 0.193 20 0 ACADMP N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 1330183622 1170277464 /nfs/dbraw/zinc/27/74/64/1170277464.db2.gz VPJQQRCAOSFTQU-ZYUZMQFOSA-N 2 1 183.299 0.193 20 0 ACADMP N[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 1330183621 1170278184 /nfs/dbraw/zinc/27/81/84/1170278184.db2.gz VPJQQRCAOSFTQU-XKNYDFJKSA-N 2 1 183.299 0.193 20 0 ACADMP N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 1330183620 1170278401 /nfs/dbraw/zinc/27/84/01/1170278401.db2.gz VPJQQRCAOSFTQU-KYXWUPHJSA-N 2 1 183.299 0.193 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 1332366274 1170303318 /nfs/dbraw/zinc/30/33/18/1170303318.db2.gz XHXZJBDYVIIQGO-DTWKUNHWSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@H](N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 1332366274 1170303325 /nfs/dbraw/zinc/30/33/25/1170303325.db2.gz XHXZJBDYVIIQGO-DTWKUNHWSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@H](N)C[N@H+]1CC[C@@H](CC[NH3+])C1 1332366274 1170303332 /nfs/dbraw/zinc/30/33/32/1170303332.db2.gz XHXZJBDYVIIQGO-DTWKUNHWSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 1332366275 1170304618 /nfs/dbraw/zinc/30/46/18/1170304618.db2.gz XHXZJBDYVIIQGO-IUCAKERBSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@H](N)C[N@@H+]1CC[C@H](CC[NH3+])C1 1332366275 1170304626 /nfs/dbraw/zinc/30/46/26/1170304626.db2.gz XHXZJBDYVIIQGO-IUCAKERBSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@H](N)C[N@H+]1CC[C@H](CC[NH3+])C1 1332366275 1170304635 /nfs/dbraw/zinc/30/46/35/1170304635.db2.gz XHXZJBDYVIIQGO-IUCAKERBSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 1332366276 1170304847 /nfs/dbraw/zinc/30/48/47/1170304847.db2.gz XHXZJBDYVIIQGO-RKDXNWHRSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@@H](N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 1332366276 1170304855 /nfs/dbraw/zinc/30/48/55/1170304855.db2.gz XHXZJBDYVIIQGO-RKDXNWHRSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H](N)C[N@H+]1CC[C@@H](CC[NH3+])C1 1332366276 1170304862 /nfs/dbraw/zinc/30/48/62/1170304862.db2.gz XHXZJBDYVIIQGO-RKDXNWHRSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 1332366272 1170305513 /nfs/dbraw/zinc/30/55/13/1170305513.db2.gz XHXZJBDYVIIQGO-BDAKNGLRSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@@H](N)C[N@@H+]1CC[C@H](CC[NH3+])C1 1332366272 1170305520 /nfs/dbraw/zinc/30/55/20/1170305520.db2.gz XHXZJBDYVIIQGO-BDAKNGLRSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H](N)C[N@H+]1CC[C@H](CC[NH3+])C1 1332366272 1170305525 /nfs/dbraw/zinc/30/55/25/1170305525.db2.gz XHXZJBDYVIIQGO-BDAKNGLRSA-N 2 1 171.288 0.004 20 0 ACADMP Cc1n[nH]c(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 1335338508 1170355466 /nfs/dbraw/zinc/35/54/66/1170355466.db2.gz HARLCPPPEJOQMM-KYZUINATSA-N 2 1 194.282 0.606 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CCn2c[nH+]cc2C1 1336021388 1170365150 /nfs/dbraw/zinc/36/51/50/1170365150.db2.gz ZQXVSZQLTKFZMI-BDAKNGLRSA-N 2 1 195.266 0.168 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CCn2c[nH+]cc2C1 1336021392 1170365250 /nfs/dbraw/zinc/36/52/50/1170365250.db2.gz ZQXVSZQLTKFZMI-IUCAKERBSA-N 2 1 195.266 0.168 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 1336021390 1170366506 /nfs/dbraw/zinc/36/65/06/1170366506.db2.gz ZQXVSZQLTKFZMI-DTWKUNHWSA-N 2 1 195.266 0.168 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CCn2c[nH+]cc2C1 1336021394 1170366590 /nfs/dbraw/zinc/36/65/90/1170366590.db2.gz ZQXVSZQLTKFZMI-RKDXNWHRSA-N 2 1 195.266 0.168 20 0 ACADMP [NH3+]CC1CC([NH2+][C@H](C[NH3+])C2CC2)C1 1337838366 1170399223 /nfs/dbraw/zinc/39/92/23/1170399223.db2.gz OHTNEQGWZFRHIP-YXGXMSFMSA-N 3 1 183.299 0.051 20 0 ACADMP [NH3+]CC1CC([NH2+][C@@H](C[NH3+])C2CC2)C1 1337838364 1170399410 /nfs/dbraw/zinc/39/94/10/1170399410.db2.gz OHTNEQGWZFRHIP-GDRRJGKNSA-N 3 1 183.299 0.051 20 0 ACADMP [NH3+]C1CCC([NH2+]CC2([NH3+])CC2)CC1 1345098287 1170470075 /nfs/dbraw/zinc/47/00/75/1170470075.db2.gz RIRIHVPNDSNDLH-UHFFFAOYSA-N 3 1 183.299 0.337 20 0 ACADMP [NH3+]C1(C[NH2+]C2CCC(O)CC2)CC1 1345098722 1170470514 /nfs/dbraw/zinc/47/05/14/1170470514.db2.gz VVKJRBILJFZWOQ-UHFFFAOYSA-N 2 1 184.283 0.371 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 1346542096 1170482707 /nfs/dbraw/zinc/48/27/07/1170482707.db2.gz WNMXGHPXGPABIR-AXFHLTTASA-N 3 1 199.342 0.701 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 1346542100 1170481349 /nfs/dbraw/zinc/48/13/49/1170481349.db2.gz WNMXGHPXGPABIR-HBNTYKKESA-N 3 1 199.342 0.701 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 1346542099 1170482145 /nfs/dbraw/zinc/48/21/45/1170482145.db2.gz WNMXGHPXGPABIR-GARJFASQSA-N 3 1 199.342 0.701 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 1346542097 1170482777 /nfs/dbraw/zinc/48/27/77/1170482777.db2.gz WNMXGHPXGPABIR-DCAQKATOSA-N 3 1 199.342 0.701 20 0 ACADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 1349867261 1170516625 /nfs/dbraw/zinc/51/66/25/1170516625.db2.gz LBWXRDQHJJHSAH-VWYCJHECSA-N 3 1 199.342 0.844 20 0 ACADMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])NC)C1 1349910610 1170515014 /nfs/dbraw/zinc/51/50/14/1170515014.db2.gz FFDYUPHQRLICHB-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 1349867258 1170515393 /nfs/dbraw/zinc/51/53/93/1170515393.db2.gz LBWXRDQHJJHSAH-GMTAPVOTSA-N 3 1 199.342 0.844 20 0 ACADMP C[NH2+][C@H](C)CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 1349867259 1170516118 /nfs/dbraw/zinc/51/61/18/1170516118.db2.gz LBWXRDQHJJHSAH-MXWKQRLJSA-N 3 1 199.342 0.844 20 0 ACADMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])NC)C1 1349910600 1170516301 /nfs/dbraw/zinc/51/63/01/1170516301.db2.gz FFDYUPHQRLICHB-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP C[NH2+][C@H](C)CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 1349867260 1170516553 /nfs/dbraw/zinc/51/65/53/1170516553.db2.gz LBWXRDQHJJHSAH-OUAUKWLOSA-N 3 1 199.342 0.844 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CCCCC[C@@H]1CO 1350909049 1170522399 /nfs/dbraw/zinc/52/23/99/1170522399.db2.gz HOPISDKQYUVGFG-NXEZZACHSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CCCCC[C@H]1CO 1350909063 1170522541 /nfs/dbraw/zinc/52/25/41/1170522541.db2.gz HOPISDKQYUVGFG-ZJUUUORDSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCCCC[C@H]1CO 1350909058 1170522715 /nfs/dbraw/zinc/52/27/15/1170522715.db2.gz HOPISDKQYUVGFG-UWVGGRQHSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCCCC[C@@H]1CO 1350909060 1170523632 /nfs/dbraw/zinc/52/36/32/1170523632.db2.gz HOPISDKQYUVGFG-VHSXEESVSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@H](N)C[NH2+]C1CC(C[NH3+])C1 1352788722 1170532463 /nfs/dbraw/zinc/53/24/63/1170532463.db2.gz GJRPIFGNWJEXPX-MGURRDGZSA-N 2 1 171.288 0.051 20 0 ACADMP CC[C@@H](N)C[NH2+]C1CC(C[NH3+])C1 1352788723 1170531447 /nfs/dbraw/zinc/53/14/47/1170531447.db2.gz GJRPIFGNWJEXPX-QJAFJHJLSA-N 2 1 171.288 0.051 20 0 ACADMP [NH3+]CC1CCC([NH2+]CC2([NH3+])CC2)CC1 1352759906 1170533217 /nfs/dbraw/zinc/53/32/17/1170533217.db2.gz HMEUBSNDBGESHN-UHFFFAOYSA-N 3 1 197.326 0.585 20 0 ACADMP CCC[NH2+]CC[NH2+]C1CC(C[NH3+])C1 1356082916 1170554933 /nfs/dbraw/zinc/55/49/33/1170554933.db2.gz HPPISCOCJAHHAG-UHFFFAOYSA-N 3 1 185.315 0.313 20 0 ACADMP CCCNCC[NH2+]C1CC(C[NH3+])C1 1356082916 1170554936 /nfs/dbraw/zinc/55/49/36/1170554936.db2.gz HPPISCOCJAHHAG-UHFFFAOYSA-N 2 1 185.315 0.313 20 0 ACADMP N[C@@H](C[NH2+]C1CC(C[NH3+])C1)C1CC1 1356083729 1170555570 /nfs/dbraw/zinc/55/55/70/1170555570.db2.gz ZFMUMSGAIXSNPF-GDRRJGKNSA-N 2 1 183.299 0.051 20 0 ACADMP N[C@H](C[NH2+]C1CC(C[NH3+])C1)C1CC1 1356083730 1170555954 /nfs/dbraw/zinc/55/59/54/1170555954.db2.gz ZFMUMSGAIXSNPF-YXGXMSFMSA-N 2 1 183.299 0.051 20 0 ACADMP [NH3+]C1(C[NH2+]CC2=CCCOC2)CC1 1356083350 1170556614 /nfs/dbraw/zinc/55/66/14/1170556614.db2.gz NNULTRXZGOMRIO-UHFFFAOYSA-N 2 1 182.267 0.414 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 1460558296 1170579651 /nfs/dbraw/zinc/57/96/51/1170579651.db2.gz GTSOXBASJXQLJO-OGBGREFGSA-N 2 1 198.310 0.248 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 1460558296 1170579656 /nfs/dbraw/zinc/57/96/56/1170579656.db2.gz GTSOXBASJXQLJO-OGBGREFGSA-N 2 1 198.310 0.248 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 1460558292 1170580488 /nfs/dbraw/zinc/58/04/88/1170580488.db2.gz GTSOXBASJXQLJO-APLZJWDSSA-N 2 1 198.310 0.248 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 1460558292 1170580491 /nfs/dbraw/zinc/58/04/91/1170580491.db2.gz GTSOXBASJXQLJO-APLZJWDSSA-N 2 1 198.310 0.248 20 0 ACADMP CC1(C)CCC[N@H+]1CCNC1C[NH2+]C1 1573609063 1170675179 /nfs/dbraw/zinc/67/51/79/1170675179.db2.gz LQSQWONRVKMBTD-UHFFFAOYSA-N 2 1 197.326 0.422 20 0 ACADMP CCC[N@@H+](CC)C[C@H](C)NC1C[NH2+]C1 1573752448 1170675215 /nfs/dbraw/zinc/67/52/15/1170675215.db2.gz LDNIEIUKBQLICM-JTQLQIEISA-N 2 1 199.342 0.668 20 0 ACADMP CCC[N@H+]1CCC[C@H]1CNC1C[NH2+]C1 1573759484 1170675638 /nfs/dbraw/zinc/67/56/38/1170675638.db2.gz IJQIDNBOXHNEOM-NSHDSACASA-N 2 1 197.326 0.422 20 0 ACADMP CCCC[N@@H+](C)C[C@H](C)NC1C[NH2+]C1 1573735395 1170675815 /nfs/dbraw/zinc/67/58/15/1170675815.db2.gz KZGGBMVJGJLUDK-JTQLQIEISA-N 2 1 199.342 0.668 20 0 ACADMP CC1(C)CC[N@@H+](CCNC2C[NH2+]C2)C1 1573609047 1170676422 /nfs/dbraw/zinc/67/64/22/1170676422.db2.gz LMWNPXKCBAAPBA-UHFFFAOYSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H](CCn1cccn1)[NH2+]CC[NH3+] 1573543850 1170676719 /nfs/dbraw/zinc/67/67/19/1170676719.db2.gz XXMWFAVUIAVGNS-VIFPVBQESA-N 2 1 182.271 0.210 20 0 ACADMP C[C@H](CCn1cccn1)[NH2+]CC[NH3+] 1573543843 1170677378 /nfs/dbraw/zinc/67/73/78/1170677378.db2.gz XXMWFAVUIAVGNS-SECBINFHSA-N 2 1 182.271 0.210 20 0 ACADMP C[N@H+]1CCC[C@@H](CCNC2C[NH2+]C2)C1 1573883313 1170678972 /nfs/dbraw/zinc/67/89/72/1170678972.db2.gz UMHUXFGXKCRPGM-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CNC2)C1 1573883313 1170678973 /nfs/dbraw/zinc/67/89/73/1170678973.db2.gz UMHUXFGXKCRPGM-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CNC2)C1 1573883313 1170678977 /nfs/dbraw/zinc/67/89/77/1170678977.db2.gz UMHUXFGXKCRPGM-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[N@H+]1CCC[C@H](CCNC2C[NH2+]C2)C1 1573883314 1170680083 /nfs/dbraw/zinc/68/00/83/1170680083.db2.gz UMHUXFGXKCRPGM-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP C[N@@H+]1CCC[C@H](CC[NH2+]C2CNC2)C1 1573883314 1170680085 /nfs/dbraw/zinc/68/00/85/1170680085.db2.gz UMHUXFGXKCRPGM-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CNC2)C1 1573883314 1170680088 /nfs/dbraw/zinc/68/00/88/1170680088.db2.gz UMHUXFGXKCRPGM-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP [NH3+]CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 1574279634 1170682422 /nfs/dbraw/zinc/68/24/22/1170682422.db2.gz DRAYPVHHIYSVGN-GUBZILKMSA-N 2 1 196.294 0.492 20 0 ACADMP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 1574439809 1170683318 /nfs/dbraw/zinc/68/33/18/1170683318.db2.gz GVGAAMCKVAOAKJ-KXUCPTDWSA-N 2 1 184.283 0.099 20 0 ACADMP C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CS1 1574795627 1170683491 /nfs/dbraw/zinc/68/34/91/1170683491.db2.gz NSMHWXBKPYGKEV-XFWSIPNHSA-N 2 1 198.335 0.974 20 0 ACADMP C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CS1 1574795623 1170683967 /nfs/dbraw/zinc/68/39/67/1170683967.db2.gz NSMHWXBKPYGKEV-DOLQZWNJSA-N 2 1 198.335 0.974 20 0 ACADMP C=Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 1574962380 1170684781 /nfs/dbraw/zinc/68/47/81/1170684781.db2.gz KQILBHRFFOBSJP-MGCOHNPYSA-N 2 1 192.266 0.563 20 0 ACADMP C1C[C@H]([NH2+]CC23CC(C[NH2+]2)C3)CO1 1574816786 1170685176 /nfs/dbraw/zinc/68/51/76/1170685176.db2.gz MRBBVROFPAOTKU-KYHHOPLUSA-N 2 1 182.267 0.117 20 0 ACADMP CC(=O)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 1574979647 1170685299 /nfs/dbraw/zinc/68/52/99/1170685299.db2.gz AYDVYASZBJMYQQ-VXNVDRBHSA-N 2 1 170.256 0.102 20 0 ACADMP CC(=O)C[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 1574979647 1170685302 /nfs/dbraw/zinc/68/53/02/1170685302.db2.gz AYDVYASZBJMYQQ-VXNVDRBHSA-N 2 1 170.256 0.102 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@@H]3COC[C@@H]32)C1 1574817324 1170685330 /nfs/dbraw/zinc/68/53/30/1170685330.db2.gz YLNYDKDPPXBYOL-CHWFTXMASA-N 2 1 196.294 0.363 20 0 ACADMP CC(=O)OC[C@@H](C)[NH2+]C(C)(C)C[NH3+] 1575029280 1170685509 /nfs/dbraw/zinc/68/55/09/1170685509.db2.gz LMAVHSGNEKGYDP-SSDOTTSWSA-N 2 1 188.271 0.265 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 1574817325 1170685894 /nfs/dbraw/zinc/68/58/94/1170685894.db2.gz YLNYDKDPPXBYOL-ZNSHCXBVSA-N 2 1 196.294 0.363 20 0 ACADMP CC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 1574979757 1170686137 /nfs/dbraw/zinc/68/61/37/1170686137.db2.gz CQZNQBCSVWTNJM-PSASIEDQSA-N 2 1 184.283 0.492 20 0 ACADMP CC(=O)OC[C@H](C)[NH2+]C(C)(C)C[NH3+] 1575029283 1170686453 /nfs/dbraw/zinc/68/64/53/1170686453.db2.gz LMAVHSGNEKGYDP-ZETCQYMHSA-N 2 1 188.271 0.265 20 0 ACADMP CC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 1574980389 1170686500 /nfs/dbraw/zinc/68/65/00/1170686500.db2.gz QOYOICZFUIHSSB-QWRGUYRKSA-N 2 1 196.294 0.636 20 0 ACADMP CC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 1574980389 1170686502 /nfs/dbraw/zinc/68/65/02/1170686502.db2.gz QOYOICZFUIHSSB-QWRGUYRKSA-N 2 1 196.294 0.636 20 0 ACADMP CC(C)(O)C[NH2+][C@@H](C[NH3+])C1CC1 1575386948 1170686950 /nfs/dbraw/zinc/68/69/50/1170686950.db2.gz LCZSRYVSIAEMCJ-QMMMGPOBSA-N 2 1 172.272 0.084 20 0 ACADMP CC(C)(C[NH3+])C[N@H+]1CC[C@@]2(O)C[C@H]2C1 1575315581 1170687043 /nfs/dbraw/zinc/68/70/43/1170687043.db2.gz SDIWHOMRYCZKGX-GXSJLCMTSA-N 2 1 198.310 0.428 20 0 ACADMP C[C@@H](CCO)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1575967404 1170691045 /nfs/dbraw/zinc/69/10/45/1170691045.db2.gz NOZVMZYQASIPAD-AXFHLTTASA-N 2 1 198.310 0.632 20 0 ACADMP CC(C)([NH3+])C[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1575354362 1170688283 /nfs/dbraw/zinc/68/82/83/1170688283.db2.gz NYTCRYRZNXDIAI-KXUCPTDWSA-N 2 1 198.310 0.426 20 0 ACADMP CC(C)(O)C[NH2+][C@H](C[NH3+])C1CC1 1575386947 1170688458 /nfs/dbraw/zinc/68/84/58/1170688458.db2.gz LCZSRYVSIAEMCJ-MRVPVSSYSA-N 2 1 172.272 0.084 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 1575354522 1170688733 /nfs/dbraw/zinc/68/87/33/1170688733.db2.gz XCHGYDXCCJSRGK-WCBMZHEXSA-N 2 1 184.283 0.180 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@@]2(O)C[C@H]2C1 1575354522 1170688737 /nfs/dbraw/zinc/68/87/37/1170688737.db2.gz XCHGYDXCCJSRGK-WCBMZHEXSA-N 2 1 184.283 0.180 20 0 ACADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1575471926 1170688764 /nfs/dbraw/zinc/68/87/64/1170688764.db2.gz JXZNJJVPSABGRC-YTWAJWBKSA-N 2 1 198.310 0.153 20 0 ACADMP CC(C)[C@@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1575471338 1170689178 /nfs/dbraw/zinc/68/91/78/1170689178.db2.gz HDNBHPBGQYYTIS-AXFHLTTASA-N 2 1 198.310 0.297 20 0 ACADMP CC(C)[C@@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1575471338 1170689180 /nfs/dbraw/zinc/68/91/80/1170689180.db2.gz HDNBHPBGQYYTIS-AXFHLTTASA-N 2 1 198.310 0.297 20 0 ACADMP CC(C)[C@@H](O)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1575471927 1170689447 /nfs/dbraw/zinc/68/94/47/1170689447.db2.gz JXZNJJVPSABGRC-ZRUFSTJUSA-N 2 1 198.310 0.153 20 0 ACADMP CC(C)[C@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1575471340 1170689635 /nfs/dbraw/zinc/68/96/35/1170689635.db2.gz HDNBHPBGQYYTIS-HBNTYKKESA-N 2 1 198.310 0.297 20 0 ACADMP CC(C)[C@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1575471340 1170689638 /nfs/dbraw/zinc/68/96/38/1170689638.db2.gz HDNBHPBGQYYTIS-HBNTYKKESA-N 2 1 198.310 0.297 20 0 ACADMP C[C@H](CC[NH3+])N[C@H]1CCC[N@@H+](C)C1 1575962103 1170690268 /nfs/dbraw/zinc/69/02/68/1170690268.db2.gz LTYIURJZPSLQJV-ZJUUUORDSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@H](CC[NH3+])[NH2+][C@H]1CCCN(C)C1 1575962103 1170690273 /nfs/dbraw/zinc/69/02/73/1170690273.db2.gz LTYIURJZPSLQJV-ZJUUUORDSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@@H](CC[NH3+])N[C@H]1CCC[N@@H+](C)C1 1575962101 1170690403 /nfs/dbraw/zinc/69/04/03/1170690403.db2.gz LTYIURJZPSLQJV-UWVGGRQHSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@@H](CC[NH3+])[NH2+][C@H]1CCCN(C)C1 1575962101 1170690411 /nfs/dbraw/zinc/69/04/11/1170690411.db2.gz LTYIURJZPSLQJV-UWVGGRQHSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1575968743 1170690684 /nfs/dbraw/zinc/69/06/84/1170690684.db2.gz ZSVKQOWTSNCBSG-JXUBOQSCSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@H](CCO)[NH2+][C@H]1CC[NH2+][C@@H]1C 1575968717 1170690981 /nfs/dbraw/zinc/69/09/81/1170690981.db2.gz YSMCDMSKQZWLSF-HLTSFMKQSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](CCO)[NH2+][C@H]1CC[NH2+][C@@H]1C 1575968718 1170690996 /nfs/dbraw/zinc/69/09/96/1170690996.db2.gz YSMCDMSKQZWLSF-YIZRAAEISA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](CC[NH3+])N[C@@H]1CCC[N@@H+](C)C1 1575962100 1170691257 /nfs/dbraw/zinc/69/12/57/1170691257.db2.gz LTYIURJZPSLQJV-NXEZZACHSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@H](CC[NH3+])[NH2+][C@@H]1CCCN(C)C1 1575962100 1170691261 /nfs/dbraw/zinc/69/12/61/1170691261.db2.gz LTYIURJZPSLQJV-NXEZZACHSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@@H](CC[NH3+])N[C@@H]1CCC[N@@H+](C)C1 1575962102 1170691293 /nfs/dbraw/zinc/69/12/93/1170691293.db2.gz LTYIURJZPSLQJV-VHSXEESVSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@@H](CC[NH3+])[NH2+][C@@H]1CCCN(C)C1 1575962102 1170691296 /nfs/dbraw/zinc/69/12/96/1170691296.db2.gz LTYIURJZPSLQJV-VHSXEESVSA-N 2 1 185.315 0.408 20 0 ACADMP CC(C)OCC[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1575780616 1170691595 /nfs/dbraw/zinc/69/15/95/1170691595.db2.gz SOUGAVIVYIGREY-URLYPYJESA-N 2 1 198.310 0.561 20 0 ACADMP CC(C)OCC[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1575780616 1170691602 /nfs/dbraw/zinc/69/16/02/1170691602.db2.gz SOUGAVIVYIGREY-URLYPYJESA-N 2 1 198.310 0.561 20 0 ACADMP C[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1575968742 1170691865 /nfs/dbraw/zinc/69/18/65/1170691865.db2.gz ZSVKQOWTSNCBSG-IMSYWVGJSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@H](CCO)[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1575967674 1170692168 /nfs/dbraw/zinc/69/21/68/1170692168.db2.gz NOZVMZYQASIPAD-MXWKQRLJSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@@H](CCO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1575966017 1170692407 /nfs/dbraw/zinc/69/24/07/1170692407.db2.gz CMOXLIBYUUCWID-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](Cc1ccno1)[NH2+]C(C)(C)C[NH3+] 1576067334 1170692867 /nfs/dbraw/zinc/69/28/67/1170692867.db2.gz WWCSBOUYYNWVLI-QMMMGPOBSA-N 2 1 197.282 0.933 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC2=NOCC2)C1 1576119911 1170693153 /nfs/dbraw/zinc/69/31/53/1170693153.db2.gz MTFHOHQOLJVBQA-DTWKUNHWSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1576119911 1170693157 /nfs/dbraw/zinc/69/31/57/1170693157.db2.gz MTFHOHQOLJVBQA-DTWKUNHWSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccno1 1576066639 1170693290 /nfs/dbraw/zinc/69/32/90/1170693290.db2.gz PSYPCPBHRYIOMF-SFYZADRCSA-N 2 1 183.255 0.542 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2=NOCC2)C1 1576119912 1170693835 /nfs/dbraw/zinc/69/38/35/1170693835.db2.gz MTFHOHQOLJVBQA-IUCAKERBSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2=NOCC2)C1 1576119912 1170693838 /nfs/dbraw/zinc/69/38/38/1170693838.db2.gz MTFHOHQOLJVBQA-IUCAKERBSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccno1 1576066640 1170693966 /nfs/dbraw/zinc/69/39/66/1170693966.db2.gz PSYPCPBHRYIOMF-YUMQZZPRSA-N 2 1 183.255 0.542 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1576119913 1170694028 /nfs/dbraw/zinc/69/40/28/1170694028.db2.gz MTFHOHQOLJVBQA-RKDXNWHRSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@H]([NH3+])CN1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1576155772 1170694012 /nfs/dbraw/zinc/69/40/12/1170694012.db2.gz CHCDUEMGUWJIHG-GARJFASQSA-N 2 1 197.326 0.502 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2=NOCC2)C1 1576119913 1170694022 /nfs/dbraw/zinc/69/40/22/1170694022.db2.gz MTFHOHQOLJVBQA-RKDXNWHRSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC2=NOCC2)C1 1576119910 1170694354 /nfs/dbraw/zinc/69/43/54/1170694354.db2.gz MTFHOHQOLJVBQA-BDAKNGLRSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2=NOCC2)C1 1576119910 1170694356 /nfs/dbraw/zinc/69/43/56/1170694356.db2.gz MTFHOHQOLJVBQA-BDAKNGLRSA-N 2 1 197.282 0.432 20 0 ACADMP C[C@@H](Cc1ccno1)[NH2+]CC1([NH3+])CC1 1576065971 1170694481 /nfs/dbraw/zinc/69/44/81/1170694481.db2.gz JNXSWDPHJKPYLW-QMMMGPOBSA-N 2 1 195.266 0.687 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H](O)C1 1576156759 1170694540 /nfs/dbraw/zinc/69/45/40/1170694540.db2.gz JWABQCXZUQQGAI-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H](O)C1 1576156759 1170694541 /nfs/dbraw/zinc/69/45/41/1170694541.db2.gz JWABQCXZUQQGAI-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@H+](C[C@@H](C)[NH3+])C1 1576156757 1170694559 /nfs/dbraw/zinc/69/45/59/1170694559.db2.gz JWABQCXZUQQGAI-DJLDLDEBSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@@H+](C[C@@H](C)[NH3+])C1 1576156757 1170694562 /nfs/dbraw/zinc/69/45/62/1170694562.db2.gz JWABQCXZUQQGAI-DJLDLDEBSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](Cc1ccno1)[NH2+]CC1([NH3+])CC1 1576065970 1170694885 /nfs/dbraw/zinc/69/48/85/1170694885.db2.gz JNXSWDPHJKPYLW-MRVPVSSYSA-N 2 1 195.266 0.687 20 0 ACADMP C[C@@H]([NH3+])CN1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1576155776 1170694895 /nfs/dbraw/zinc/69/48/95/1170694895.db2.gz CHCDUEMGUWJIHG-OUAUKWLOSA-N 2 1 197.326 0.502 20 0 ACADMP C[C@H](Cc1ccno1)[NH2+]C(C)(C)C[NH3+] 1576067330 1170694987 /nfs/dbraw/zinc/69/49/87/1170694987.db2.gz WWCSBOUYYNWVLI-MRVPVSSYSA-N 2 1 197.282 0.933 20 0 ACADMP C[C@@H](Cc1ccno1)[NH2+]C[C@@H](C)[NH3+] 1576159776 1170695849 /nfs/dbraw/zinc/69/58/49/1170695849.db2.gz WHGMUNZDHSCFDL-SFYZADRCSA-N 2 1 183.255 0.542 20 0 ACADMP C[C@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1CCOC1 1576233126 1170695899 /nfs/dbraw/zinc/69/58/99/1170695899.db2.gz FXODQQIEMGHXRG-DTWKUNHWSA-N 2 1 186.299 0.738 20 0 ACADMP C[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccno1 1576159774 1170695943 /nfs/dbraw/zinc/69/59/43/1170695943.db2.gz WHGMUNZDHSCFDL-JGVFFNPUSA-N 2 1 183.255 0.542 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H](O)C1 1576156999 1170696040 /nfs/dbraw/zinc/69/60/40/1170696040.db2.gz MRKQVUYOBTVVII-CIUDSAMLSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H](O)C1 1576156999 1170696044 /nfs/dbraw/zinc/69/60/44/1170696044.db2.gz MRKQVUYOBTVVII-CIUDSAMLSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]([NH2+]C1CC2(C[NH2+]C2)C1)C(F)F 1576238454 1170696057 /nfs/dbraw/zinc/69/60/57/1170696057.db2.gz GGBIVVWSMQFMBY-LURJTMIESA-N 2 1 190.237 0.982 20 0 ACADMP C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccno1 1576159777 1170696462 /nfs/dbraw/zinc/69/64/62/1170696462.db2.gz WHGMUNZDHSCFDL-YUMQZZPRSA-N 2 1 183.255 0.542 20 0 ACADMP C[C@@H]([NH2+]C1CC2(C[NH2+]C2)C1)C(F)F 1576238455 1170696724 /nfs/dbraw/zinc/69/67/24/1170696724.db2.gz GGBIVVWSMQFMBY-ZCFIWIBFSA-N 2 1 190.237 0.982 20 0 ACADMP C[C@H]([NH2+]C(C)(C)C[NH3+])[C@H]1CCOC1 1576233127 1170696755 /nfs/dbraw/zinc/69/67/55/1170696755.db2.gz FXODQQIEMGHXRG-IUCAKERBSA-N 2 1 186.299 0.738 20 0 ACADMP C[C@H]([NH2+][C@@H]1CC[C@H]1O)[C@H]1CCCC[NH2+]1 1576251270 1170696765 /nfs/dbraw/zinc/69/67/65/1170696765.db2.gz KHTPTHSERIHJMP-LNFKQOIKSA-N 2 1 198.310 0.630 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](O)[C@@H]1C 1576156991 1170697149 /nfs/dbraw/zinc/69/71/49/1170697149.db2.gz MKTHVJJFILOJKQ-CIUDSAMLSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](C)[NH3+] 1576156993 1170697182 /nfs/dbraw/zinc/69/71/82/1170697182.db2.gz MKTHVJJFILOJKQ-VGMNWLOBSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H](O)C1 1576157002 1170697319 /nfs/dbraw/zinc/69/73/19/1170697319.db2.gz MRKQVUYOBTVVII-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H](O)C1 1576157002 1170697323 /nfs/dbraw/zinc/69/73/23/1170697323.db2.gz MRKQVUYOBTVVII-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@@H]1CCOC1 1576233128 1170697348 /nfs/dbraw/zinc/69/73/48/1170697348.db2.gz FXODQQIEMGHXRG-RKDXNWHRSA-N 2 1 186.299 0.738 20 0 ACADMP C[C@@H]([NH2+]C(C)(C)C[NH3+])[C@H]1CCOC1 1576233125 1170697493 /nfs/dbraw/zinc/69/74/93/1170697493.db2.gz FXODQQIEMGHXRG-BDAKNGLRSA-N 2 1 186.299 0.738 20 0 ACADMP C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccno1 1576159773 1170697533 /nfs/dbraw/zinc/69/75/33/1170697533.db2.gz WHGMUNZDHSCFDL-HTQZYQBOSA-N 2 1 183.255 0.542 20 0 ACADMP C[C@@](O)(C[NH3+])C[N@H+]1C[C@H]2CCCC[C@H]21 1576261628 1170697699 /nfs/dbraw/zinc/69/76/99/1170697699.db2.gz ZEDVRMOMXNOWTK-GMTAPVOTSA-N 2 1 198.310 0.571 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 1576157116 1170697794 /nfs/dbraw/zinc/69/77/94/1170697794.db2.gz NFSNJHBVMCFCED-GARJFASQSA-N 2 1 198.310 0.428 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 1576157117 1170698207 /nfs/dbraw/zinc/69/82/07/1170698207.db2.gz NFSNJHBVMCFCED-OUAUKWLOSA-N 2 1 198.310 0.428 20 0 ACADMP C[C@@H]([NH2+][C@@H]1CC[C@H]1O)[C@H]1CCCC[NH2+]1 1576251269 1170698336 /nfs/dbraw/zinc/69/83/36/1170698336.db2.gz KHTPTHSERIHJMP-GWOFURMSSA-N 2 1 198.310 0.630 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1CC2CC1(C[NH3+])C2 1576261791 1170698713 /nfs/dbraw/zinc/69/87/13/1170698713.db2.gz BBNBULFXLQSVFX-XHHQTKHESA-N 2 1 184.283 0.179 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576269613 1170698850 /nfs/dbraw/zinc/69/88/50/1170698850.db2.gz WCICUVGYWDMCBN-DBIOUOCHSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@H+]1CC2CC1(C[NH3+])C2 1576261785 1170699406 /nfs/dbraw/zinc/69/94/06/1170699406.db2.gz BBNBULFXLQSVFX-AFWXGSBKSA-N 2 1 184.283 0.179 20 0 ACADMP C[C@H](O)C[N@H+]1C2CCC1(C[NH3+])CC2 1576273175 1170699455 /nfs/dbraw/zinc/69/94/55/1170699455.db2.gz SVEGRRRHTKZHPP-IDKOKCKLSA-N 2 1 184.283 0.323 20 0 ACADMP C[C@@H](O)CCC[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1576272326 1170699504 /nfs/dbraw/zinc/69/95/04/1170699504.db2.gz LLARUCCKGNLQST-ZNSHCXBVSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@H+]1C2CCC1(C[NH3+])CC2 1576267199 1170699632 /nfs/dbraw/zinc/69/96/32/1170699632.db2.gz WFRXPZRNLFWVKH-IZUQBHJASA-N 2 1 198.310 0.711 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576269418 1170699715 /nfs/dbraw/zinc/69/97/15/1170699715.db2.gz REONGJLFTQFGIJ-DBIOUOCHSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H](C)O 1576271790 1170699751 /nfs/dbraw/zinc/69/97/51/1170699751.db2.gz ICSJQPJRMSJNEP-BBBLOLIVSA-N 2 1 186.299 0.155 20 0 ACADMP C[C@@H](O)CC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1576272885 1170699765 /nfs/dbraw/zinc/69/97/65/1170699765.db2.gz QGDYZNIOGJOSJZ-MXWKQRLJSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576269421 1170699858 /nfs/dbraw/zinc/69/98/58/1170699858.db2.gz REONGJLFTQFGIJ-ZDCRXTMVSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@H+]1CC2CC1(C[NH3+])C2 1576261789 1170699868 /nfs/dbraw/zinc/69/98/68/1170699868.db2.gz BBNBULFXLQSVFX-LGUIWLBCSA-N 2 1 184.283 0.179 20 0 ACADMP C[C@@H](O)C[N@H+]1C2CCC1(C[NH3+])CC2 1576273178 1170699923 /nfs/dbraw/zinc/69/99/23/1170699923.db2.gz SVEGRRRHTKZHPP-XNWIYYODSA-N 2 1 184.283 0.323 20 0 ACADMP C[C@H](O)CC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1576272883 1170699935 /nfs/dbraw/zinc/69/99/35/1170699935.db2.gz QGDYZNIOGJOSJZ-AXFHLTTASA-N 2 1 198.310 0.632 20 0 ACADMP C[C@@H](O)C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1576272657 1170700252 /nfs/dbraw/zinc/70/02/52/1170700252.db2.gz OURDLFVJZPFNBZ-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1576272658 1170700305 /nfs/dbraw/zinc/70/03/05/1170700305.db2.gz OURDLFVJZPFNBZ-LPEHRKFASA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)CCC[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1576272325 1170700418 /nfs/dbraw/zinc/70/04/18/1170700418.db2.gz LLARUCCKGNLQST-UKKRHICBSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@H](O)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1576275025 1170700477 /nfs/dbraw/zinc/70/04/77/1170700477.db2.gz AUUGEHRMXHLRLT-AEJSXWLSSA-N 2 1 184.283 0.241 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1C2CCC1(C[NH3+])CC2 1576267202 1170700643 /nfs/dbraw/zinc/70/06/43/1170700643.db2.gz WFRXPZRNLFWVKH-SAAXCQNUSA-N 2 1 198.310 0.711 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576269420 1170700832 /nfs/dbraw/zinc/70/08/32/1170700832.db2.gz REONGJLFTQFGIJ-YTWAJWBKSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H](O)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1576275026 1170700861 /nfs/dbraw/zinc/70/08/61/1170700861.db2.gz AUUGEHRMXHLRLT-BBBLOLIVSA-N 2 1 184.283 0.241 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1C2CCC1(C[NH3+])CC2 1576267200 1170700891 /nfs/dbraw/zinc/70/08/91/1170700891.db2.gz WFRXPZRNLFWVKH-MFQSTILNSA-N 2 1 198.310 0.711 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@H+]1C2CCC1(C[NH3+])CC2 1576267201 1170701063 /nfs/dbraw/zinc/70/10/63/1170701063.db2.gz WFRXPZRNLFWVKH-NKVNRFPTSA-N 2 1 198.310 0.711 20 0 ACADMP CC1(C[NH+]2CCC([NH3+])(CO)CC2)CC1 1576503370 1170701111 /nfs/dbraw/zinc/70/11/11/1170701111.db2.gz RIDIECICXLPRIV-UHFFFAOYSA-N 2 1 198.310 0.572 20 0 ACADMP C[C@@H]([C@@H](C)O)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576269615 1170701166 /nfs/dbraw/zinc/70/11/66/1170701166.db2.gz WCICUVGYWDMCBN-ZDCRXTMVSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H](O)CC[N@H+]1C2CCC1(C[NH3+])CC2 1576272586 1170701244 /nfs/dbraw/zinc/70/12/44/1170701244.db2.gz MMSSWRSVAYETRH-KPPDAEKUSA-N 2 1 198.310 0.713 20 0 ACADMP C[C@H](O)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 1576271791 1170701263 /nfs/dbraw/zinc/70/12/63/1170701263.db2.gz ICSJQPJRMSJNEP-UTLUCORTSA-N 2 1 186.299 0.155 20 0 ACADMP C[C@H](O)CC[N@H+]1C2CCC1(C[NH3+])CC2 1576272588 1170701325 /nfs/dbraw/zinc/70/13/25/1170701325.db2.gz MMSSWRSVAYETRH-WHXUTIOJSA-N 2 1 198.310 0.713 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576269419 1170701340 /nfs/dbraw/zinc/70/13/40/1170701340.db2.gz REONGJLFTQFGIJ-MMWGEVLESA-N 2 1 198.310 0.297 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576269614 1170701350 /nfs/dbraw/zinc/70/13/50/1170701350.db2.gz WCICUVGYWDMCBN-YTWAJWBKSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H](O)CC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576273809 1170701429 /nfs/dbraw/zinc/70/14/29/1170701429.db2.gz XTSBOPIQRYWDDH-MXWKQRLJSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC2CC1(C[NH3+])C2 1576261787 1170701479 /nfs/dbraw/zinc/70/14/79/1170701479.db2.gz BBNBULFXLQSVFX-DKEVHCRPSA-N 2 1 184.283 0.179 20 0 ACADMP C[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C 1576622844 1170701755 /nfs/dbraw/zinc/70/17/55/1170701755.db2.gz GVAAPPZNAAJPSZ-NAKRPEOUSA-N 2 1 197.326 0.548 20 0 ACADMP C[C@@]1(C[NH2+]C[C@H]2CC[NH2+]2)CCCCO1 1576519633 1170701888 /nfs/dbraw/zinc/70/18/88/1170701888.db2.gz TVWFSDXSICIHDA-MNOVXSKESA-N 2 1 198.310 0.897 20 0 ACADMP CC12CC(C[N@@H+]3CC[C@@H]([NH3+])C3)(CO1)C2 1576553787 1170702064 /nfs/dbraw/zinc/70/20/64/1170702064.db2.gz OTNHMPNLRQFJAD-KPPDAEKUSA-N 2 1 196.294 0.589 20 0 ACADMP CC12CC(C[N@H+]3CC[C@@H]([NH3+])C3)(CO1)C2 1576553787 1170702072 /nfs/dbraw/zinc/70/20/72/1170702072.db2.gz OTNHMPNLRQFJAD-KPPDAEKUSA-N 2 1 196.294 0.589 20 0 ACADMP C[C@]1(C[NH2+]C[C@@H]2CC[NH2+]2)CCCCO1 1576519635 1170702274 /nfs/dbraw/zinc/70/22/74/1170702274.db2.gz TVWFSDXSICIHDA-WDEREUQCSA-N 2 1 198.310 0.897 20 0 ACADMP C[C@@H]1[C@H](CO)CC[N@H+]1CCC1C[NH2+]C1 1576573326 1170702380 /nfs/dbraw/zinc/70/23/80/1170702380.db2.gz QPNUWOLNGBJWIF-KOLCDFICSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CC[NH2+]C1 1576574820 1170702479 /nfs/dbraw/zinc/70/24/79/1170702479.db2.gz YVIVFBLWTQPIMH-MXWKQRLJSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C 1576622847 1170702488 /nfs/dbraw/zinc/70/24/88/1170702488.db2.gz GVAAPPZNAAJPSZ-ZNSHCXBVSA-N 2 1 197.326 0.548 20 0 ACADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]1CC[NH2+]C1 1576574822 1170702575 /nfs/dbraw/zinc/70/25/75/1170702575.db2.gz YVIVFBLWTQPIMH-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1[C@@H](CO)CC[N@H+]1CCC1C[NH2+]C1 1576573325 1170702852 /nfs/dbraw/zinc/70/28/52/1170702852.db2.gz QPNUWOLNGBJWIF-GXSJLCMTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CCC1C[NH2+]C1 1576573327 1170702902 /nfs/dbraw/zinc/70/29/02/1170702902.db2.gz QPNUWOLNGBJWIF-MWLCHTKSSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C 1576622843 1170702938 /nfs/dbraw/zinc/70/29/38/1170702938.db2.gz GVAAPPZNAAJPSZ-MMWGEVLESA-N 2 1 197.326 0.548 20 0 ACADMP C[C@H]1[C@H](CO)CC[N@H+]1CCC1C[NH2+]C1 1576573328 1170703378 /nfs/dbraw/zinc/70/33/78/1170703378.db2.gz QPNUWOLNGBJWIF-ONGXEEELSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C 1576622845 1170703243 /nfs/dbraw/zinc/70/32/43/1170703243.db2.gz GVAAPPZNAAJPSZ-UKKRHICBSA-N 2 1 197.326 0.548 20 0 ACADMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H]1CC[NH2+]C1 1576574825 1170703394 /nfs/dbraw/zinc/70/33/94/1170703394.db2.gz YVIVFBLWTQPIMH-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C 1576622841 1170703432 /nfs/dbraw/zinc/70/34/32/1170703432.db2.gz GVAAPPZNAAJPSZ-DBIOUOCHSA-N 2 1 197.326 0.548 20 0 ACADMP CC12CC(C[N@@H+]3CC[C@H]([NH3+])C3)(CO1)C2 1576553788 1170703799 /nfs/dbraw/zinc/70/37/99/1170703799.db2.gz OTNHMPNLRQFJAD-WHXUTIOJSA-N 2 1 196.294 0.589 20 0 ACADMP CC12CC(C[N@H+]3CC[C@H]([NH3+])C3)(CO1)C2 1576553788 1170703803 /nfs/dbraw/zinc/70/38/03/1170703803.db2.gz OTNHMPNLRQFJAD-WHXUTIOJSA-N 2 1 196.294 0.589 20 0 ACADMP C[C@@]1(C[NH2+]C[C@@H]2CC[NH2+]2)CCCCO1 1576519634 1170703994 /nfs/dbraw/zinc/70/39/94/1170703994.db2.gz TVWFSDXSICIHDA-QWRGUYRKSA-N 2 1 198.310 0.897 20 0 ACADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C 1576622842 1170704112 /nfs/dbraw/zinc/70/41/12/1170704112.db2.gz GVAAPPZNAAJPSZ-GWOFURMSSA-N 2 1 197.326 0.548 20 0 ACADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)CC[N@H+]1C 1576622840 1170704392 /nfs/dbraw/zinc/70/43/92/1170704392.db2.gz GVAAPPZNAAJPSZ-CHWFTXMASA-N 2 1 197.326 0.548 20 0 ACADMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CC[NH2+]C1 1576574817 1170704501 /nfs/dbraw/zinc/70/45/01/1170704501.db2.gz YVIVFBLWTQPIMH-GMTAPVOTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)CC[N@H+]1C 1576622846 1170704574 /nfs/dbraw/zinc/70/45/74/1170704574.db2.gz GVAAPPZNAAJPSZ-XWLWVQCSSA-N 2 1 197.326 0.548 20 0 ACADMP C[C@]1(C[NH2+]C[C@H]2CC[NH2+]2)CCCCO1 1576519632 1170704651 /nfs/dbraw/zinc/70/46/51/1170704651.db2.gz TVWFSDXSICIHDA-GHMZBOCLSA-N 2 1 198.310 0.897 20 0 ACADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1O 1576729464 1170705180 /nfs/dbraw/zinc/70/51/80/1170705180.db2.gz ONDPEMGICHCPFQ-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CC12CC2 1576631950 1170705223 /nfs/dbraw/zinc/70/52/23/1170705223.db2.gz DLJKUCMHMUYLFB-OPRDCNLKSA-N 2 1 180.295 0.984 20 0 ACADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1O 1576731178 1170705412 /nfs/dbraw/zinc/70/54/12/1170705412.db2.gz FPYNELGBHPRLKM-CHWFTXMASA-N 2 1 198.310 0.426 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[NH2+]CC12CC2 1576631946 1170705474 /nfs/dbraw/zinc/70/54/74/1170705474.db2.gz DLJKUCMHMUYLFB-BBBLOLIVSA-N 2 1 180.295 0.984 20 0 ACADMP C[C@H]1CC[N@@H+](CCC2C[NH2+]C2)C[C@H]1O 1576729555 1170705487 /nfs/dbraw/zinc/70/54/87/1170705487.db2.gz QVZAOTXXUVXQNI-GXSJLCMTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 1576625376 1170705531 /nfs/dbraw/zinc/70/55/31/1170705531.db2.gz YHPRMHBSGQJJHS-GWOFURMSSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1C[C@H](NC2(C)C[NH2+]C2)CC[N@H+]1C 1576625405 1170705576 /nfs/dbraw/zinc/70/55/76/1170705576.db2.gz YRYOJBCWAHGNIK-NXEZZACHSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1C[C@@H](NC(C)(C)C[NH3+])CC[N@H+]1C 1576624898 1170705677 /nfs/dbraw/zinc/70/56/77/1170705677.db2.gz VLWAAMRYBPZRLP-UWVGGRQHSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1O 1576731180 1170705740 /nfs/dbraw/zinc/70/57/40/1170705740.db2.gz FPYNELGBHPRLKM-UKKRHICBSA-N 2 1 198.310 0.426 20 0 ACADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1O 1576729463 1170705836 /nfs/dbraw/zinc/70/58/36/1170705836.db2.gz ONDPEMGICHCPFQ-MXWKQRLJSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[C@H](NC2(C)C[NH2+]C2)CC[N@H+]1C 1576625409 1170706038 /nfs/dbraw/zinc/70/60/38/1170706038.db2.gz YRYOJBCWAHGNIK-VHSXEESVSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1CC[N@@H+](CCC2C[NH2+]C2)C[C@@H]1O 1576729558 1170706109 /nfs/dbraw/zinc/70/61/09/1170706109.db2.gz QVZAOTXXUVXQNI-ONGXEEELSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1CCC(=O)C[N@@H+]1CCC1C[NH2+]C1 1576637283 1170706204 /nfs/dbraw/zinc/70/62/04/1170706204.db2.gz QNYIUCOQKQHEBT-VIFPVBQESA-N 2 1 196.294 0.649 20 0 ACADMP C[C@H]1CCC(=O)C[N@H+]1CCC1C[NH2+]C1 1576637283 1170706206 /nfs/dbraw/zinc/70/62/06/1170706206.db2.gz QNYIUCOQKQHEBT-VIFPVBQESA-N 2 1 196.294 0.649 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 1576625378 1170706301 /nfs/dbraw/zinc/70/63/01/1170706301.db2.gz YHPRMHBSGQJJHS-LNFKQOIKSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1C[C@@H](NC(C)(C)C[NH3+])CC[N@H+]1C 1576624901 1170706357 /nfs/dbraw/zinc/70/63/57/1170706357.db2.gz VLWAAMRYBPZRLP-ZJUUUORDSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1O 1576731181 1170706391 /nfs/dbraw/zinc/70/63/91/1170706391.db2.gz FPYNELGBHPRLKM-ZNSHCXBVSA-N 2 1 198.310 0.426 20 0 ACADMP C[C@H]1C[C@@H](NC2(C)C[NH2+]C2)CC[N@H+]1C 1576625408 1170706561 /nfs/dbraw/zinc/70/65/61/1170706561.db2.gz YRYOJBCWAHGNIK-UWVGGRQHSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H]1C[C@H](NC(C)(C)C[NH3+])CC[N@H+]1C 1576624897 1170706644 /nfs/dbraw/zinc/70/66/44/1170706644.db2.gz VLWAAMRYBPZRLP-NXEZZACHSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1O 1576729462 1170706690 /nfs/dbraw/zinc/70/66/90/1170706690.db2.gz ONDPEMGICHCPFQ-GMTAPVOTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC12CC2 1576631947 1170706781 /nfs/dbraw/zinc/70/67/81/1170706781.db2.gz DLJKUCMHMUYLFB-KXUCPTDWSA-N 2 1 180.295 0.984 20 0 ACADMP C[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)C[C@H]1O 1576729557 1170706899 /nfs/dbraw/zinc/70/68/99/1170706899.db2.gz QVZAOTXXUVXQNI-MWLCHTKSSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC12CC2 1576631952 1170706908 /nfs/dbraw/zinc/70/69/08/1170706908.db2.gz DLJKUCMHMUYLFB-UTLUCORTSA-N 2 1 180.295 0.984 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)CO1 1576625380 1170706973 /nfs/dbraw/zinc/70/69/73/1170706973.db2.gz YHPRMHBSGQJJHS-ZRUFSTJUSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1O 1576729465 1170706991 /nfs/dbraw/zinc/70/69/91/1170706991.db2.gz ONDPEMGICHCPFQ-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H](NC2(C)C[NH2+]C2)CC[N@H+]1C 1576625411 1170707068 /nfs/dbraw/zinc/70/70/68/1170707068.db2.gz YRYOJBCWAHGNIK-ZJUUUORDSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1C[C@H](NC(C)(C)C[NH3+])CC[N@H+]1C 1576624899 1170707368 /nfs/dbraw/zinc/70/73/68/1170707368.db2.gz VLWAAMRYBPZRLP-VHSXEESVSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1O 1576731179 1170707519 /nfs/dbraw/zinc/70/75/19/1170707519.db2.gz FPYNELGBHPRLKM-MMWGEVLESA-N 2 1 198.310 0.426 20 0 ACADMP C[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)C[C@@H]1O 1576729556 1170707551 /nfs/dbraw/zinc/70/75/51/1170707551.db2.gz QVZAOTXXUVXQNI-KOLCDFICSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1CCC(=O)C[N@@H+]1CCC1C[NH2+]C1 1576637281 1170707638 /nfs/dbraw/zinc/70/76/38/1170707638.db2.gz QNYIUCOQKQHEBT-SECBINFHSA-N 2 1 196.294 0.649 20 0 ACADMP C[C@@H]1CCC(=O)C[N@H+]1CCC1C[NH2+]C1 1576637281 1170707645 /nfs/dbraw/zinc/70/76/45/1170707645.db2.gz QNYIUCOQKQHEBT-SECBINFHSA-N 2 1 196.294 0.649 20 0 ACADMP CC[C@@](C)(O)C[NH2+][C@H](C[NH3+])C1CC1 1576961378 1170708172 /nfs/dbraw/zinc/70/81/72/1170708172.db2.gz UKZFPYJOLUNPOH-NXEZZACHSA-N 2 1 186.299 0.474 20 0 ACADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1O 1576806908 1170708450 /nfs/dbraw/zinc/70/84/50/1170708450.db2.gz KTLWNXUVYFTJLH-UKKRHICBSA-N 2 1 198.310 0.426 20 0 ACADMP CC[C@@](C)(O)C[NH2+][C@@H](C[NH3+])C1CC1 1576961380 1170708494 /nfs/dbraw/zinc/70/84/94/1170708494.db2.gz UKZFPYJOLUNPOH-VHSXEESVSA-N 2 1 186.299 0.474 20 0 ACADMP C[C@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 1576849485 1170708542 /nfs/dbraw/zinc/70/85/42/1170708542.db2.gz GGRLXLBRRBBWQH-GWOFURMSSA-N 2 1 198.310 0.487 20 0 ACADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O 1576806550 1170708622 /nfs/dbraw/zinc/70/86/22/1170708622.db2.gz HXPNTXVKDPKKJP-AXFHLTTASA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 1576849486 1170708859 /nfs/dbraw/zinc/70/88/59/1170708859.db2.gz GGRLXLBRRBBWQH-LMLFDSFASA-N 2 1 198.310 0.487 20 0 ACADMP C[C@@H]1C[N@H+]([C@H]2CCOC2)CC[C@@H]1C[NH3+] 1576801300 1170708878 /nfs/dbraw/zinc/70/88/78/1170708878.db2.gz RKWHBZUXYCQNAM-MXWKQRLJSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@](C)(O)C[NH2+][C@@H](C[NH3+])C1CC1 1576961379 1170709100 /nfs/dbraw/zinc/70/91/00/1170709100.db2.gz UKZFPYJOLUNPOH-UWVGGRQHSA-N 2 1 186.299 0.474 20 0 ACADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1576903703 1170709211 /nfs/dbraw/zinc/70/92/11/1170709211.db2.gz MUJFUDPNTMJFRL-YTWAJWBKSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1576903700 1170709279 /nfs/dbraw/zinc/70/92/79/1170709279.db2.gz MUJFUDPNTMJFRL-DBIOUOCHSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1O 1576806551 1170709328 /nfs/dbraw/zinc/70/93/28/1170709328.db2.gz HXPNTXVKDPKKJP-HBNTYKKESA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[N@H+]([C@@H]2CCOC2)CC[C@@H]1C[NH3+] 1576801299 1170709518 /nfs/dbraw/zinc/70/95/18/1170709518.db2.gz RKWHBZUXYCQNAM-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1O 1576806910 1170709624 /nfs/dbraw/zinc/70/96/24/1170709624.db2.gz KTLWNXUVYFTJLH-YTWAJWBKSA-N 2 1 198.310 0.426 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](O)[C@H](C)C1 1576806477 1170709661 /nfs/dbraw/zinc/70/96/61/1170709661.db2.gz FHBQPWXFCIRSNC-CHWFTXMASA-N 2 1 198.310 0.155 20 0 ACADMP C[C@@H]1C[N@H+]([C@@H]2CCOC2)CC[C@H]1C[NH3+] 1576801301 1170710186 /nfs/dbraw/zinc/71/01/86/1170710186.db2.gz RKWHBZUXYCQNAM-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 1576849487 1170710199 /nfs/dbraw/zinc/71/01/99/1170710199.db2.gz GGRLXLBRRBBWQH-UKKRHICBSA-N 2 1 198.310 0.487 20 0 ACADMP C[C@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H]1O 1576806906 1170710343 /nfs/dbraw/zinc/71/03/43/1170710343.db2.gz KTLWNXUVYFTJLH-MMWGEVLESA-N 2 1 198.310 0.426 20 0 ACADMP C[C@@H]1C[N@H+]([C@H]2CCOC2)CC[C@H]1C[NH3+] 1576801302 1170710422 /nfs/dbraw/zinc/71/04/22/1170710422.db2.gz RKWHBZUXYCQNAM-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1576903702 1170710572 /nfs/dbraw/zinc/71/05/72/1170710572.db2.gz MUJFUDPNTMJFRL-LMLFDSFASA-N 2 1 198.310 0.894 20 0 ACADMP CC[C@](C)(O)C[NH2+][C@H](C[NH3+])C1CC1 1576961381 1170710603 /nfs/dbraw/zinc/71/06/03/1170710603.db2.gz UKZFPYJOLUNPOH-ZJUUUORDSA-N 2 1 186.299 0.474 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 1576806480 1170710717 /nfs/dbraw/zinc/71/07/17/1170710717.db2.gz FHBQPWXFCIRSNC-ZNSHCXBVSA-N 2 1 198.310 0.155 20 0 ACADMP C[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1O 1576806479 1170711234 /nfs/dbraw/zinc/71/12/34/1170711234.db2.gz FHBQPWXFCIRSNC-VPOLOUISSA-N 2 1 198.310 0.155 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCO[C@@H]1C 1576903701 1170711269 /nfs/dbraw/zinc/71/12/69/1170711269.db2.gz MUJFUDPNTMJFRL-GWOFURMSSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C[C@H]1O 1576806904 1170711484 /nfs/dbraw/zinc/71/14/84/1170711484.db2.gz KTLWNXUVYFTJLH-LMLFDSFASA-N 2 1 198.310 0.426 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)[C@@H](O)C1 1576806478 1170711531 /nfs/dbraw/zinc/71/15/31/1170711531.db2.gz FHBQPWXFCIRSNC-RCWTZXSCSA-N 2 1 198.310 0.155 20 0 ACADMP CC[C@@H]([NH3+])CN[C@H]1CCC[N@@H+](CC)C1 1577124457 1170711921 /nfs/dbraw/zinc/71/19/21/1170711921.db2.gz BKYRQBMHKGDKCO-MNOVXSKESA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCN(CC)C1 1577124457 1170711931 /nfs/dbraw/zinc/71/19/31/1170711931.db2.gz BKYRQBMHKGDKCO-MNOVXSKESA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@@H](O)C[N@H+]1C2CCC1(C[NH3+])CC2 1577182549 1170711954 /nfs/dbraw/zinc/71/19/54/1170711954.db2.gz PNRHTZFYFLZENP-HSOILSAZSA-N 2 1 198.310 0.713 20 0 ACADMP CC[C@@H](O)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1577183324 1170712198 /nfs/dbraw/zinc/71/21/98/1170712198.db2.gz ZFXZTHAIXARUAD-MXWKQRLJSA-N 2 1 198.310 0.632 20 0 ACADMP CC[C@H](CO)[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 1577089021 1170712735 /nfs/dbraw/zinc/71/27/35/1170712735.db2.gz ISHUVZFQLQRKPL-OPRDCNLKSA-N 2 1 186.299 0.284 20 0 ACADMP CC[C@H](CO)[N@H+]1C2CCC1(C[NH3+])CC2 1577088916 1170712797 /nfs/dbraw/zinc/71/27/97/1170712797.db2.gz HIHKNIMPMCSSJA-KPPDAEKUSA-N 2 1 198.310 0.713 20 0 ACADMP CC[C@@H](CO)[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 1577089019 1170712769 /nfs/dbraw/zinc/71/27/69/1170712769.db2.gz ISHUVZFQLQRKPL-BBBLOLIVSA-N 2 1 186.299 0.284 20 0 ACADMP CC[C@H](O)C[N@H+]1C2CCC1(C[NH3+])CC2 1577182550 1170712774 /nfs/dbraw/zinc/71/27/74/1170712774.db2.gz PNRHTZFYFLZENP-YVNMAJEFSA-N 2 1 198.310 0.713 20 0 ACADMP CC[C@H](COC)[NH2+][C@H]1CC[NH2+][C@@H]1C 1577092621 1170712812 /nfs/dbraw/zinc/71/28/12/1170712812.db2.gz HROZUOMNOPDOKJ-BBBLOLIVSA-N 2 1 186.299 0.751 20 0 ACADMP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1577092879 1170712822 /nfs/dbraw/zinc/71/28/22/1170712822.db2.gz KGMDNZMHWXVNAW-VLEAKVRGSA-N 2 1 198.310 0.894 20 0 ACADMP CC[C@H](CO)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 1577088941 1170712906 /nfs/dbraw/zinc/71/29/06/1170712906.db2.gz HTDOTKFOMRRNKF-IWSPIJDZSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@H](CO)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 1577088941 1170712911 /nfs/dbraw/zinc/71/29/11/1170712911.db2.gz HTDOTKFOMRRNKF-IWSPIJDZSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@H]([NH3+])CN[C@H]1CCC[N@@H+](CC)C1 1577124458 1170712964 /nfs/dbraw/zinc/71/29/64/1170712964.db2.gz BKYRQBMHKGDKCO-QWRGUYRKSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCN(CC)C1 1577124458 1170712969 /nfs/dbraw/zinc/71/29/69/1170712969.db2.gz BKYRQBMHKGDKCO-QWRGUYRKSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@@H](COC)[NH2+][C@H]1CC[NH2+][C@@H]1C 1577092622 1170713021 /nfs/dbraw/zinc/71/30/21/1170713021.db2.gz HROZUOMNOPDOKJ-UTLUCORTSA-N 2 1 186.299 0.751 20 0 ACADMP CC[C@@H](CO)[N@H+]1C2CCC1(C[NH3+])CC2 1577088918 1170713253 /nfs/dbraw/zinc/71/32/53/1170713253.db2.gz HIHKNIMPMCSSJA-WHXUTIOJSA-N 2 1 198.310 0.713 20 0 ACADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccno1 1577124463 1170713343 /nfs/dbraw/zinc/71/33/43/1170713343.db2.gz BLTJZWGEUOMBQP-DTWKUNHWSA-N 2 1 197.282 0.933 20 0 ACADMP CC[C@@H]([NH3+])CN[C@@H]1CCC[N@@H+](CC)C1 1577124456 1170713600 /nfs/dbraw/zinc/71/36/00/1170713600.db2.gz BKYRQBMHKGDKCO-GHMZBOCLSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCN(CC)C1 1577124456 1170713607 /nfs/dbraw/zinc/71/36/07/1170713607.db2.gz BKYRQBMHKGDKCO-GHMZBOCLSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccno1 1577124464 1170713672 /nfs/dbraw/zinc/71/36/72/1170713672.db2.gz BLTJZWGEUOMBQP-IUCAKERBSA-N 2 1 197.282 0.933 20 0 ACADMP CC[C@@H](CO)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 1577088940 1170713685 /nfs/dbraw/zinc/71/36/85/1170713685.db2.gz HTDOTKFOMRRNKF-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@@H](CO)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 1577088940 1170713692 /nfs/dbraw/zinc/71/36/92/1170713692.db2.gz HTDOTKFOMRRNKF-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@H]([NH3+])CN[C@@H]1CCC[N@@H+](CC)C1 1577124459 1170713750 /nfs/dbraw/zinc/71/37/50/1170713750.db2.gz BKYRQBMHKGDKCO-WDEREUQCSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCN(CC)C1 1577124459 1170713757 /nfs/dbraw/zinc/71/37/57/1170713757.db2.gz BKYRQBMHKGDKCO-WDEREUQCSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@H](COC)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1577092880 1170713790 /nfs/dbraw/zinc/71/37/90/1170713790.db2.gz KGMDNZMHWXVNAW-ZNSHCXBVSA-N 2 1 198.310 0.894 20 0 ACADMP CC[C@H](O)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1577183323 1170714265 /nfs/dbraw/zinc/71/42/65/1170714265.db2.gz ZFXZTHAIXARUAD-AXFHLTTASA-N 2 1 198.310 0.632 20 0 ACADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccno1 1577124465 1170714438 /nfs/dbraw/zinc/71/44/38/1170714438.db2.gz BLTJZWGEUOMBQP-RKDXNWHRSA-N 2 1 197.282 0.933 20 0 ACADMP CC[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccno1 1577124462 1170714452 /nfs/dbraw/zinc/71/44/52/1170714452.db2.gz BLTJZWGEUOMBQP-BDAKNGLRSA-N 2 1 197.282 0.933 20 0 ACADMP CC[N@H+]1CCC[C@@H](NCC2([NH3+])CC2)C1 1577770417 1170720263 /nfs/dbraw/zinc/72/02/63/1170720263.db2.gz HUDKPWUBIYTKNX-SNVBAGLBSA-N 2 1 197.326 0.552 20 0 ACADMP CC[N@@H+](C)[C@@H]1CCN(CC2C[NH2+]C2)C1 1577654362 1170715872 /nfs/dbraw/zinc/71/58/72/1170715872.db2.gz BNAXSQPINNWLGU-LLVKDONJSA-N 2 1 197.326 0.232 20 0 ACADMP CCC[C@@H](O)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1577368523 1170716886 /nfs/dbraw/zinc/71/68/86/1170716886.db2.gz IDZSKGGPYOLDHZ-ZNSHCXBVSA-N 2 1 198.310 0.297 20 0 ACADMP CC[N@@H+](C)[C@H]1CCN(CC2C[NH2+]C2)C1 1577654363 1170717439 /nfs/dbraw/zinc/71/74/39/1170717439.db2.gz BNAXSQPINNWLGU-NSHDSACASA-N 2 1 197.326 0.232 20 0 ACADMP CCC[C@H](O)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1577368521 1170717468 /nfs/dbraw/zinc/71/74/68/1170717468.db2.gz IDZSKGGPYOLDHZ-UKKRHICBSA-N 2 1 198.310 0.297 20 0 ACADMP CC[N@H+]1CCC[C@@H](NC(C)(C)C[NH3+])C1 1577771425 1170718006 /nfs/dbraw/zinc/71/80/06/1170718006.db2.gz XRXYEFVOIPYMHU-SNVBAGLBSA-N 2 1 199.342 0.798 20 0 ACADMP CC[N@@H+](C)[C@H]1CCN(CCC[NH2+]C)C1 1577655119 1170718024 /nfs/dbraw/zinc/71/80/24/1170718024.db2.gz RGWISDPLSTWROM-NSHDSACASA-N 2 1 199.342 0.622 20 0 ACADMP CC[N@@H+](C)[C@H]1CCN(C[C@H](C)[NH3+])C1 1577654921 1170718135 /nfs/dbraw/zinc/71/81/35/1170718135.db2.gz LKJHLOMEZMTVNC-UWVGGRQHSA-N 2 1 185.315 0.360 20 0 ACADMP CC[NH+]1CCC(C[NH2+]C[C@@H](C)N)CC1 1577764328 1170718157 /nfs/dbraw/zinc/71/81/57/1170718157.db2.gz XPPBAGVWIYIBGY-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP CCOC1CC([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 1578093294 1170718317 /nfs/dbraw/zinc/71/83/17/1170718317.db2.gz GXHAOWFFVFKVRP-AGVGLQIMSA-N 2 1 198.310 0.751 20 0 ACADMP CC[N@@H+](CCO)C[C@@H]1C[NH2+]C[C@H]1C 1577725726 1170718343 /nfs/dbraw/zinc/71/83/43/1170718343.db2.gz LROJHCDSKPFRKH-ZJUUUORDSA-N 2 1 186.299 0.156 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@H]2C[C@H]([NH3+])C2)C1 1577770671 1170718587 /nfs/dbraw/zinc/71/85/87/1170718587.db2.gz MZGQNTCWZFRQFW-DCAQKATOSA-N 2 1 197.326 0.550 20 0 ACADMP CCN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 1577770671 1170718592 /nfs/dbraw/zinc/71/85/92/1170718592.db2.gz MZGQNTCWZFRQFW-DCAQKATOSA-N 2 1 197.326 0.550 20 0 ACADMP CC[N@@H+](CCO)C[C@H]1CC[C@@H]([NH3+])C1 1577725717 1170718761 /nfs/dbraw/zinc/71/87/61/1170718761.db2.gz LHIWMQNGPDZEPX-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@H]2C[C@H]([NH3+])C2)C1 1577770673 1170718813 /nfs/dbraw/zinc/71/88/13/1170718813.db2.gz MZGQNTCWZFRQFW-GMTAPVOTSA-N 2 1 197.326 0.550 20 0 ACADMP CCN1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 1577770673 1170718819 /nfs/dbraw/zinc/71/88/19/1170718819.db2.gz MZGQNTCWZFRQFW-GMTAPVOTSA-N 2 1 197.326 0.550 20 0 ACADMP CC[N@@H+]1CCC[C@H](NCC[C@H](C)[NH3+])C1 1577770939 1170718912 /nfs/dbraw/zinc/71/89/12/1170718912.db2.gz QGKPWKBYTPDXEI-QWRGUYRKSA-N 2 1 199.342 0.798 20 0 ACADMP CC[N@H+]1CCC[C@H](NCC[C@H](C)[NH3+])C1 1577770939 1170718916 /nfs/dbraw/zinc/71/89/16/1170718916.db2.gz QGKPWKBYTPDXEI-QWRGUYRKSA-N 2 1 199.342 0.798 20 0 ACADMP CC[NH+]1CCC(C[NH2+]C[C@H](C)N)CC1 1577764327 1170719000 /nfs/dbraw/zinc/71/90/00/1170719000.db2.gz XPPBAGVWIYIBGY-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP CC[C@@H](O)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1578225847 1170719200 /nfs/dbraw/zinc/71/92/00/1170719200.db2.gz NBRLNDNASIRUQO-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP CC[N@@H+]1CCC[C@@H](NCC[C@H](C)[NH3+])C1 1577770940 1170719322 /nfs/dbraw/zinc/71/93/22/1170719322.db2.gz QGKPWKBYTPDXEI-WDEREUQCSA-N 2 1 199.342 0.798 20 0 ACADMP CC[N@H+]1CCC[C@@H](NCC[C@H](C)[NH3+])C1 1577770940 1170719326 /nfs/dbraw/zinc/71/93/26/1170719326.db2.gz QGKPWKBYTPDXEI-WDEREUQCSA-N 2 1 199.342 0.798 20 0 ACADMP CC[NH2+][C@H](C)CN[C@@H]1CCC[N@@H+](C)C1 1577887080 1170719335 /nfs/dbraw/zinc/71/93/35/1170719335.db2.gz HQZCSNBKLZDQGQ-GHMZBOCLSA-N 2 1 199.342 0.668 20 0 ACADMP CC[N@@H+](C)[C@@H]1CCN(C[C@@H](C)[NH3+])C1 1577654920 1170719386 /nfs/dbraw/zinc/71/93/86/1170719386.db2.gz LKJHLOMEZMTVNC-NXEZZACHSA-N 2 1 185.315 0.360 20 0 ACADMP CC[N@H+]1CCC[C@H](NC[C@H]2CC[NH2+]2)C1 1577770307 1170719451 /nfs/dbraw/zinc/71/94/51/1170719451.db2.gz DPUUAJPGHXWXIC-MNOVXSKESA-N 2 1 197.326 0.422 20 0 ACADMP CC[N@@H+](C)[C@H]1CCN(C[C@@H](C)[NH3+])C1 1577654923 1170719706 /nfs/dbraw/zinc/71/97/06/1170719706.db2.gz LKJHLOMEZMTVNC-ZJUUUORDSA-N 2 1 185.315 0.360 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@H](C)C[NH2+]C)C1 1577771157 1170719731 /nfs/dbraw/zinc/71/97/31/1170719731.db2.gz SLTOSKKKWMFPBF-MNOVXSKESA-N 2 1 199.342 0.668 20 0 ACADMP CC[N@H+]1CCC[C@@H](NC[C@H]2CC[NH2+]2)C1 1577770306 1170719781 /nfs/dbraw/zinc/71/97/81/1170719781.db2.gz DPUUAJPGHXWXIC-GHMZBOCLSA-N 2 1 197.326 0.422 20 0 ACADMP CC[N@H+]1CCC[C@H](NC[C@@H]2CC[NH2+]2)C1 1577770308 1170719893 /nfs/dbraw/zinc/71/98/93/1170719893.db2.gz DPUUAJPGHXWXIC-QWRGUYRKSA-N 2 1 197.326 0.422 20 0 ACADMP CCO[C@@]1(C)C[C@H]1[NH2+]CC(C)(C)[NH3+] 1578161641 1170719909 /nfs/dbraw/zinc/71/99/09/1170719909.db2.gz TUYDZKDLXNFNDV-SCZZXKLOSA-N 2 1 186.299 0.881 20 0 ACADMP CC[N@@H+](C)[C@@H]1CCN(C[C@H](C)[NH3+])C1 1577654922 1170719921 /nfs/dbraw/zinc/71/99/21/1170719921.db2.gz LKJHLOMEZMTVNC-VHSXEESVSA-N 2 1 185.315 0.360 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@@H](C)C[NH2+]C)C1 1577771158 1170719969 /nfs/dbraw/zinc/71/99/69/1170719969.db2.gz SLTOSKKKWMFPBF-QWRGUYRKSA-N 2 1 199.342 0.668 20 0 ACADMP CC[N@H+]1CCC[C@H](NC(C)(C)C[NH3+])C1 1577771424 1170720041 /nfs/dbraw/zinc/72/00/41/1170720041.db2.gz XRXYEFVOIPYMHU-JTQLQIEISA-N 2 1 199.342 0.798 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@H](C)C[NH2+]C)C1 1577771156 1170720218 /nfs/dbraw/zinc/72/02/18/1170720218.db2.gz SLTOSKKKWMFPBF-GHMZBOCLSA-N 2 1 199.342 0.668 20 0 ACADMP CC[N@H+]1CCC[C@H](NCC2([NH3+])CC2)C1 1577770416 1170720371 /nfs/dbraw/zinc/72/03/71/1170720371.db2.gz HUDKPWUBIYTKNX-JTQLQIEISA-N 2 1 197.326 0.552 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@@H]21 1578638742 1170728238 /nfs/dbraw/zinc/72/82/38/1170728238.db2.gz SYUMYBBZZZRBFV-DOLQZWNJSA-N 2 1 184.283 0.219 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])C2)C1 1577770672 1170720614 /nfs/dbraw/zinc/72/06/14/1170720614.db2.gz MZGQNTCWZFRQFW-GARJFASQSA-N 2 1 197.326 0.550 20 0 ACADMP CCN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C1 1577770672 1170720620 /nfs/dbraw/zinc/72/06/20/1170720620.db2.gz MZGQNTCWZFRQFW-GARJFASQSA-N 2 1 197.326 0.550 20 0 ACADMP CC[N@@H+](C)[C@@H]1CCN(CCC[NH2+]C)C1 1577655118 1170720632 /nfs/dbraw/zinc/72/06/32/1170720632.db2.gz RGWISDPLSTWROM-LLVKDONJSA-N 2 1 199.342 0.622 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C1 1577770674 1170720783 /nfs/dbraw/zinc/72/07/83/1170720783.db2.gz MZGQNTCWZFRQFW-MXWKQRLJSA-N 2 1 197.326 0.550 20 0 ACADMP CCN1CCC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C1 1577770674 1170720789 /nfs/dbraw/zinc/72/07/89/1170720789.db2.gz MZGQNTCWZFRQFW-MXWKQRLJSA-N 2 1 197.326 0.550 20 0 ACADMP CC[N@H+]1CCC[C@@H](NC[C@@H]2CC[NH2+]2)C1 1577770309 1170720906 /nfs/dbraw/zinc/72/09/06/1170720906.db2.gz DPUUAJPGHXWXIC-WDEREUQCSA-N 2 1 197.326 0.422 20 0 ACADMP CC[NH+]1CCC(C[N@@H+](C)CCN)CC1 1577763619 1170721251 /nfs/dbraw/zinc/72/12/51/1170721251.db2.gz GDCZWNOLKTUILQ-UHFFFAOYSA-N 2 1 199.342 0.609 20 0 ACADMP CC[NH+]1CCC(CN(C)CC[NH3+])CC1 1577763619 1170721254 /nfs/dbraw/zinc/72/12/54/1170721254.db2.gz GDCZWNOLKTUILQ-UHFFFAOYSA-N 2 1 199.342 0.609 20 0 ACADMP CC[NH2+][C@H](C)CN[C@H]1CCC[N@@H+](C)C1 1577887081 1170721356 /nfs/dbraw/zinc/72/13/56/1170721356.db2.gz HQZCSNBKLZDQGQ-MNOVXSKESA-N 2 1 199.342 0.668 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@@H](C)C[NH2+]C)C1 1577771159 1170721373 /nfs/dbraw/zinc/72/13/73/1170721373.db2.gz SLTOSKKKWMFPBF-WDEREUQCSA-N 2 1 199.342 0.668 20 0 ACADMP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 1578228977 1170721769 /nfs/dbraw/zinc/72/17/69/1170721769.db2.gz PDZOLNSRCLZRMT-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C 1578241910 1170721798 /nfs/dbraw/zinc/72/17/98/1170721798.db2.gz ROVKBHYRORARIR-ZDCRXTMVSA-N 2 1 198.310 0.894 20 0 ACADMP CCn1ccc(C[NH2+][C@@H](C)CC[NH3+])n1 1578354104 1170721835 /nfs/dbraw/zinc/72/18/35/1170721835.db2.gz YBDCZCYMOHYCNQ-VIFPVBQESA-N 2 1 196.298 0.730 20 0 ACADMP CCn1cncc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1578357115 1170721960 /nfs/dbraw/zinc/72/19/60/1170721960.db2.gz MWNWHYLCJODDCX-DTORHVGOSA-N 2 1 194.282 0.482 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H](C)CCO 1578241905 1170722167 /nfs/dbraw/zinc/72/21/67/1170722167.db2.gz RGGQFHBIJGKNQQ-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP CCn1ccc(C[NH2+]C[C@H](C)C[NH3+])n1 1578353565 1170722348 /nfs/dbraw/zinc/72/23/48/1170722348.db2.gz LNPRVZPBDJURHZ-SECBINFHSA-N 2 1 196.298 0.587 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CC(OC)C1 1578241602 1170722442 /nfs/dbraw/zinc/72/24/42/1170722442.db2.gz DQIHLZPWIGOKQI-LXKPXOPUSA-N 2 1 198.310 0.894 20 0 ACADMP CCn1nccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1578365122 1170722453 /nfs/dbraw/zinc/72/24/53/1170722453.db2.gz HCYLODULCSIWQU-DTORHVGOSA-N 2 1 194.282 0.482 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1578234185 1170722481 /nfs/dbraw/zinc/72/24/81/1170722481.db2.gz NBRLNDNASIRUQO-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP CCn1ccc(C[NH2+][C@H](C)CC[NH3+])n1 1578354103 1170722563 /nfs/dbraw/zinc/72/25/63/1170722563.db2.gz YBDCZCYMOHYCNQ-SECBINFHSA-N 2 1 196.298 0.730 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@H]1C 1578241909 1170723035 /nfs/dbraw/zinc/72/30/35/1170723035.db2.gz ROVKBHYRORARIR-VLEAKVRGSA-N 2 1 198.310 0.894 20 0 ACADMP CCn1ccc(C[NH2+]C[C@@H](C)C[NH3+])n1 1578353566 1170723061 /nfs/dbraw/zinc/72/30/61/1170723061.db2.gz LNPRVZPBDJURHZ-VIFPVBQESA-N 2 1 196.298 0.587 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H](C)CCO 1578241904 1170723161 /nfs/dbraw/zinc/72/31/61/1170723161.db2.gz RGGQFHBIJGKNQQ-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP CCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cn1 1578348526 1170723201 /nfs/dbraw/zinc/72/32/01/1170723201.db2.gz WCLWCFKLXBPNOR-AOOOYVTPSA-N 2 1 194.282 0.482 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOC1 1578241752 1170723509 /nfs/dbraw/zinc/72/35/09/1170723509.db2.gz JYKNWYKUDRXMSP-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C 1578241908 1170723797 /nfs/dbraw/zinc/72/37/97/1170723797.db2.gz ROVKBHYRORARIR-DBIOUOCHSA-N 2 1 198.310 0.894 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C 1578241911 1170724180 /nfs/dbraw/zinc/72/41/80/1170724180.db2.gz ROVKBHYRORARIR-ZNSHCXBVSA-N 2 1 198.310 0.894 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOC1 1578241753 1170724231 /nfs/dbraw/zinc/72/42/31/1170724231.db2.gz JYKNWYKUDRXMSP-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP CCn1cncc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1578357116 1170724383 /nfs/dbraw/zinc/72/43/83/1170724383.db2.gz MWNWHYLCJODDCX-KYZUINATSA-N 2 1 194.282 0.482 20 0 ACADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1(CO)CC1 1578486636 1170724803 /nfs/dbraw/zinc/72/48/03/1170724803.db2.gz UCSAUQDNJZTINI-VHSXEESVSA-N 2 1 198.310 0.571 20 0 ACADMP C[N@@H+](CCC1CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578462019 1170724820 /nfs/dbraw/zinc/72/48/20/1170724820.db2.gz IFSVJELYHOBCBS-URLYPYJESA-N 2 1 180.295 0.936 20 0 ACADMP C[N@@H+](C[C@@H]1CCOC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578459360 1170724886 /nfs/dbraw/zinc/72/48/86/1170724886.db2.gz PYUUBFNVQFRPGS-UKKRHICBSA-N 2 1 196.294 0.173 20 0 ACADMP C[NH+]1CCC(CNC2(C)C[NH2+]C2)CC1 1578524562 1170725150 /nfs/dbraw/zinc/72/51/50/1170725150.db2.gz DTYNNLBQWUTQCE-UHFFFAOYSA-N 2 1 197.326 0.280 20 0 ACADMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CC(O)C1 1578486339 1170725256 /nfs/dbraw/zinc/72/52/56/1170725256.db2.gz MIQOGLHUDFJAMU-IZUQBHJASA-N 2 1 198.310 0.569 20 0 ACADMP C[N@H+](CCOC1CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578473066 1170725310 /nfs/dbraw/zinc/72/53/10/1170725310.db2.gz IQJFXVOHSFORKR-URLYPYJESA-N 2 1 196.294 0.315 20 0 ACADMP C[N@@H+](CCOC1CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578473066 1170725316 /nfs/dbraw/zinc/72/53/16/1170725316.db2.gz IQJFXVOHSFORKR-URLYPYJESA-N 2 1 196.294 0.315 20 0 ACADMP C[N@H+]1CCC[C@H](NC[C@@H]2CC[NH2+]2)C1 1578529416 1170725387 /nfs/dbraw/zinc/72/53/87/1170725387.db2.gz URGJJFKUNWFHEX-UWVGGRQHSA-N 2 1 183.299 0.032 20 0 ACADMP C[N@@H+](C[C@H]1CCOC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578459361 1170725461 /nfs/dbraw/zinc/72/54/61/1170725461.db2.gz PYUUBFNVQFRPGS-ZNSHCXBVSA-N 2 1 196.294 0.173 20 0 ACADMP C[N@H+]1CCC[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C1 1578529176 1170725629 /nfs/dbraw/zinc/72/56/29/1170725629.db2.gz QFHXUPKMFYSOJL-BBBLOLIVSA-N 2 1 183.299 0.160 20 0 ACADMP CN1CCC[C@@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C1 1578529176 1170725631 /nfs/dbraw/zinc/72/56/31/1170725631.db2.gz QFHXUPKMFYSOJL-BBBLOLIVSA-N 2 1 183.299 0.160 20 0 ACADMP C[N@H+]1CCC[C@@H](NC[C@@H]2CC[NH2+]2)C1 1578529417 1170725682 /nfs/dbraw/zinc/72/56/82/1170725682.db2.gz URGJJFKUNWFHEX-VHSXEESVSA-N 2 1 183.299 0.032 20 0 ACADMP C[N@@H+](CC1CCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578450282 1170725872 /nfs/dbraw/zinc/72/58/72/1170725872.db2.gz JMMZZVYDDRNCCX-URLYPYJESA-N 2 1 180.295 0.936 20 0 ACADMP C[N@@H+](CCCO)C[C@H]1CC[C@@H]([NH3+])C1 1578469145 1170726023 /nfs/dbraw/zinc/72/60/23/1170726023.db2.gz DZVNVKNCAJFXBG-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@H+]1CCC[C@@H](N[C@H]2C[C@H]([NH3+])C2)C1 1578529180 1170726070 /nfs/dbraw/zinc/72/60/70/1170726070.db2.gz QFHXUPKMFYSOJL-OPRDCNLKSA-N 2 1 183.299 0.160 20 0 ACADMP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 1578529180 1170726075 /nfs/dbraw/zinc/72/60/75/1170726075.db2.gz QFHXUPKMFYSOJL-OPRDCNLKSA-N 2 1 183.299 0.160 20 0 ACADMP C[N@H+]1CCC[C@@H](NC[C@H]2CC[NH2+]2)C1 1578529415 1170726095 /nfs/dbraw/zinc/72/60/95/1170726095.db2.gz URGJJFKUNWFHEX-NXEZZACHSA-N 2 1 183.299 0.032 20 0 ACADMP C[N@H+]1CCC[C@H](NC[C@H]2CC[NH2+]2)C1 1578529418 1170726136 /nfs/dbraw/zinc/72/61/36/1170726136.db2.gz URGJJFKUNWFHEX-ZJUUUORDSA-N 2 1 183.299 0.032 20 0 ACADMP C[N@@H+](CC1(O)CCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578444884 1170726147 /nfs/dbraw/zinc/72/61/47/1170726147.db2.gz ASLQIUNGXFWHQM-MYJAWHEDSA-N 2 1 196.294 0.051 20 0 ACADMP C[N@@H+](CCC1C[NH2+]C1)[C@@H]1CCC[C@H]1O 1578463962 1170726158 /nfs/dbraw/zinc/72/61/58/1170726158.db2.gz VPZMMOFHDJGPTB-GHMZBOCLSA-N 2 1 198.310 0.441 20 0 ACADMP C[N@@H+]1CCC[C@@H](NCC2([NH3+])CCC2)C1 1578528058 1170726476 /nfs/dbraw/zinc/72/64/76/1170726476.db2.gz BUHJYJGZNYMARI-SNVBAGLBSA-N 2 1 197.326 0.552 20 0 ACADMP C[N@H+]1CCC[C@@H](NCC2([NH3+])CCC2)C1 1578528058 1170726482 /nfs/dbraw/zinc/72/64/82/1170726482.db2.gz BUHJYJGZNYMARI-SNVBAGLBSA-N 2 1 197.326 0.552 20 0 ACADMP C[N@@H+](CCCCF)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578465872 1170726596 /nfs/dbraw/zinc/72/65/96/1170726596.db2.gz SOQKHWPQCBHMCE-MYJAWHEDSA-N 2 1 186.274 0.886 20 0 ACADMP C[N@H+]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])C2)C1 1578529179 1170726651 /nfs/dbraw/zinc/72/66/51/1170726651.db2.gz QFHXUPKMFYSOJL-LPEHRKFASA-N 2 1 183.299 0.160 20 0 ACADMP CN1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2)C1 1578529179 1170726656 /nfs/dbraw/zinc/72/66/56/1170726656.db2.gz QFHXUPKMFYSOJL-LPEHRKFASA-N 2 1 183.299 0.160 20 0 ACADMP C[N@@H+](CCCF)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578466050 1170726708 /nfs/dbraw/zinc/72/67/08/1170726708.db2.gz CJTRDGGSRGMESH-BRPSZJMVSA-N 2 1 172.247 0.496 20 0 ACADMP C[N@@H+]1CCC[C@H](NCC2([NH3+])CCC2)C1 1578528057 1170726837 /nfs/dbraw/zinc/72/68/37/1170726837.db2.gz BUHJYJGZNYMARI-JTQLQIEISA-N 2 1 197.326 0.552 20 0 ACADMP C[N@H+]1CCC[C@H](NCC2([NH3+])CCC2)C1 1578528057 1170726841 /nfs/dbraw/zinc/72/68/41/1170726841.db2.gz BUHJYJGZNYMARI-JTQLQIEISA-N 2 1 197.326 0.552 20 0 ACADMP C[N@H+]1CCC[C@H](N[C@H]2C[C@H]([NH3+])C2)C1 1578529178 1170726860 /nfs/dbraw/zinc/72/68/60/1170726860.db2.gz QFHXUPKMFYSOJL-GUBZILKMSA-N 2 1 183.299 0.160 20 0 ACADMP CN1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2)C1 1578529178 1170726865 /nfs/dbraw/zinc/72/68/65/1170726865.db2.gz QFHXUPKMFYSOJL-GUBZILKMSA-N 2 1 183.299 0.160 20 0 ACADMP C[N@H+]1CCC[C@H](NC2(C)C[NH2+]C2)C1 1578528511 1170726942 /nfs/dbraw/zinc/72/69/42/1170726942.db2.gz HKHMFPSCNXNZGF-VIFPVBQESA-N 2 1 183.299 0.032 20 0 ACADMP C[N@H+]1CCC[C@@H](NC2(C)C[NH2+]C2)C1 1578528510 1170726963 /nfs/dbraw/zinc/72/69/63/1170726963.db2.gz HKHMFPSCNXNZGF-SECBINFHSA-N 2 1 183.299 0.032 20 0 ACADMP C[N@H+](CCC(C)(C)O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578461392 1170727000 /nfs/dbraw/zinc/72/70/00/1170727000.db2.gz LYQDHWNTCRHJTR-MYJAWHEDSA-N 2 1 198.310 0.297 20 0 ACADMP C[N@@H+](CCC(C)(C)O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578461392 1170727006 /nfs/dbraw/zinc/72/70/06/1170727006.db2.gz LYQDHWNTCRHJTR-MYJAWHEDSA-N 2 1 198.310 0.297 20 0 ACADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578897834 1170727375 /nfs/dbraw/zinc/72/73/75/1170727375.db2.gz YWBZRXUCGRGDSO-GEVSDDDWSA-N 2 1 198.310 0.892 20 0 ACADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578897477 1170727438 /nfs/dbraw/zinc/72/74/38/1170727438.db2.gz WKHBWBOMTZIHDL-KYXWUPHJSA-N 2 1 186.299 0.750 20 0 ACADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578897836 1170727763 /nfs/dbraw/zinc/72/77/63/1170727763.db2.gz YWBZRXUCGRGDSO-XXFSISAASA-N 2 1 198.310 0.892 20 0 ACADMP CO[C@@H](C)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1578899956 1170728115 /nfs/dbraw/zinc/72/81/15/1170728115.db2.gz AJNBEEDPZYFJQX-AXFHLTTASA-N 2 1 198.310 0.563 20 0 ACADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578897475 1170728128 /nfs/dbraw/zinc/72/81/28/1170728128.db2.gz WKHBWBOMTZIHDL-JXUBOQSCSA-N 2 1 186.299 0.750 20 0 ACADMP C[NH2+]CCC[N@H+]1[C@H](C)CC[C@@H]1CO 1578687174 1170728155 /nfs/dbraw/zinc/72/81/55/1170728155.db2.gz PMNSEBJIEFRZBV-NXEZZACHSA-N 2 1 186.299 0.441 20 0 ACADMP CO[C@H](C)C[NH2+][C@]12CCC[C@H]1C[NH2+]C2 1578903190 1170728197 /nfs/dbraw/zinc/72/81/97/1170728197.db2.gz SXOIMQQCRFNQOU-VWYCJHECSA-N 2 1 198.310 0.753 20 0 ACADMP CO[C@H](C)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1578903961 1170728205 /nfs/dbraw/zinc/72/82/05/1170728205.db2.gz WXRRRKTWHGTDJD-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 1578638744 1170728399 /nfs/dbraw/zinc/72/83/99/1170728399.db2.gz SYUMYBBZZZRBFV-JXUBOQSCSA-N 2 1 184.283 0.219 20 0 ACADMP C[NH2+]C[C@H](C)N[C@H]1CCC[N@@H+](C)C1 1578638531 1170728498 /nfs/dbraw/zinc/72/84/98/1170728498.db2.gz PCPPDGMFFLCJOL-UWVGGRQHSA-N 2 1 185.315 0.278 20 0 ACADMP C[NH2+]C[C@@H](C)N[C@@H]1CCC[N@@H+](C)C1 1578638530 1170728564 /nfs/dbraw/zinc/72/85/64/1170728564.db2.gz PCPPDGMFFLCJOL-NXEZZACHSA-N 2 1 185.315 0.278 20 0 ACADMP CO[C@@H](C)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1578900215 1170728656 /nfs/dbraw/zinc/72/86/56/1170728656.db2.gz DYHUWXOAKRQYJD-AXFHLTTASA-N 2 1 198.310 0.563 20 0 ACADMP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578897472 1170728719 /nfs/dbraw/zinc/72/87/19/1170728719.db2.gz WKHBWBOMTZIHDL-IMSYWVGJSA-N 2 1 186.299 0.750 20 0 ACADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578897473 1170728765 /nfs/dbraw/zinc/72/87/65/1170728765.db2.gz WKHBWBOMTZIHDL-JLIMGVALSA-N 2 1 186.299 0.750 20 0 ACADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccnn1C 1578627954 1170728786 /nfs/dbraw/zinc/72/87/86/1170728786.db2.gz YQXZDYBQRRXTSK-SECBINFHSA-N 2 1 196.298 0.365 20 0 ACADMP CO[C@@H](C)C[NH2+][C@]12CCC[C@H]1C[NH2+]C2 1578903187 1170728928 /nfs/dbraw/zinc/72/89/28/1170728928.db2.gz SXOIMQQCRFNQOU-DCAQKATOSA-N 2 1 198.310 0.753 20 0 ACADMP COC(=O)C1CC([NH2+]CC2([NH3+])CC2)C1 1578783789 1170728945 /nfs/dbraw/zinc/72/89/45/1170728945.db2.gz QCDIIYLGZSJVCC-UHFFFAOYSA-N 2 1 198.266 0.019 20 0 ACADMP C[NH2+]C[C@H](C)N[C@@H]1CCC[N@@H+](C)C1 1578638532 1170729002 /nfs/dbraw/zinc/72/90/02/1170729002.db2.gz PCPPDGMFFLCJOL-VHSXEESVSA-N 2 1 185.315 0.278 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](O)[C@@H]1C 1578687114 1170729023 /nfs/dbraw/zinc/72/90/23/1170729023.db2.gz MMESESRWRBGRSQ-IUCAKERBSA-N 2 1 172.272 0.051 20 0 ACADMP C[NH2+]C[C@@H](C)N[C@H]1CCC[N@@H+](C)C1 1578638533 1170729035 /nfs/dbraw/zinc/72/90/35/1170729035.db2.gz PCPPDGMFFLCJOL-ZJUUUORDSA-N 2 1 185.315 0.278 20 0 ACADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578897835 1170729089 /nfs/dbraw/zinc/72/90/89/1170729089.db2.gz YWBZRXUCGRGDSO-HHKYUTTNSA-N 2 1 198.310 0.892 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 1578687142 1170729144 /nfs/dbraw/zinc/72/91/44/1170729144.db2.gz NOAHKDUXLVBYPB-HBNTYKKESA-N 2 1 198.310 0.441 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 1578638743 1170729217 /nfs/dbraw/zinc/72/92/17/1170729217.db2.gz SYUMYBBZZZRBFV-IMSYWVGJSA-N 2 1 184.283 0.219 20 0 ACADMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccnn1C 1578627955 1170729352 /nfs/dbraw/zinc/72/93/52/1170729352.db2.gz YQXZDYBQRRXTSK-VIFPVBQESA-N 2 1 196.298 0.365 20 0 ACADMP CO[C@@H](C)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1578903959 1170729417 /nfs/dbraw/zinc/72/94/17/1170729417.db2.gz WXRRRKTWHGTDJD-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@@H]21 1578638745 1170729673 /nfs/dbraw/zinc/72/96/73/1170729673.db2.gz SYUMYBBZZZRBFV-QCLAVDOMSA-N 2 1 184.283 0.219 20 0 ACADMP CO[C@H](C)C[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578900229 1170729722 /nfs/dbraw/zinc/72/97/22/1170729722.db2.gz FHSQUOIBKLBGFT-IMSYWVGJSA-N 2 1 184.283 0.171 20 0 ACADMP CO[C@H](C)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578900229 1170729725 /nfs/dbraw/zinc/72/97/25/1170729725.db2.gz FHSQUOIBKLBGFT-IMSYWVGJSA-N 2 1 184.283 0.171 20 0 ACADMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578897833 1170729733 /nfs/dbraw/zinc/72/97/33/1170729733.db2.gz YWBZRXUCGRGDSO-APLZJWDSSA-N 2 1 198.310 0.892 20 0 ACADMP CO[C@@H](C)C[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578900228 1170729858 /nfs/dbraw/zinc/72/98/58/1170729858.db2.gz FHSQUOIBKLBGFT-AXTSPUMRSA-N 2 1 184.283 0.171 20 0 ACADMP CO[C@@H](C)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578900228 1170729861 /nfs/dbraw/zinc/72/98/61/1170729861.db2.gz FHSQUOIBKLBGFT-AXTSPUMRSA-N 2 1 184.283 0.171 20 0 ACADMP CO[C@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 1578936712 1170730472 /nfs/dbraw/zinc/73/04/72/1170730472.db2.gz BMRLQHRHLRDLHA-VPOLOUISSA-N 2 1 198.310 0.833 20 0 ACADMP COC1CC([NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1578936664 1170730691 /nfs/dbraw/zinc/73/06/91/1170730691.db2.gz XUEKBSMULFUHEB-NRXRVSCLSA-N 2 1 196.294 0.646 20 0 ACADMP COC[C@@H](C)C[NH2+][C@@H]1C[NH2+]CC12CC2 1578957660 1170730720 /nfs/dbraw/zinc/73/07/20/1170730720.db2.gz SYDCLPOZZMAKJE-VHSXEESVSA-N 2 1 198.310 0.611 20 0 ACADMP CO[C@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 1578936708 1170731117 /nfs/dbraw/zinc/73/11/17/1170731117.db2.gz BMRLQHRHLRDLHA-CHWFTXMASA-N 2 1 198.310 0.833 20 0 ACADMP COCC[C@@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578994709 1170731321 /nfs/dbraw/zinc/73/13/21/1170731321.db2.gz KZLAQLYPAFPVBS-BBBLOLIVSA-N 2 1 186.299 0.751 20 0 ACADMP COCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578995685 1170731352 /nfs/dbraw/zinc/73/13/52/1170731352.db2.gz UGWAJJSHCQNTLT-ZRUFSTJUSA-N 2 1 198.310 0.894 20 0 ACADMP COCC[C@H](C)[NH2+]C(C)(C)C[NH3+] 1578995999 1170731393 /nfs/dbraw/zinc/73/13/93/1170731393.db2.gz WPFQWUXGTBEHDB-QMMMGPOBSA-N 2 1 174.288 0.738 20 0 ACADMP COC[C@@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1578960189 1170731537 /nfs/dbraw/zinc/73/15/37/1170731537.db2.gz BAAPMJARBPUHFD-OPRDCNLKSA-N 2 1 186.299 0.751 20 0 ACADMP COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578995682 1170731585 /nfs/dbraw/zinc/73/15/85/1170731585.db2.gz UGWAJJSHCQNTLT-CHWFTXMASA-N 2 1 198.310 0.894 20 0 ACADMP COCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] 1578995998 1170731637 /nfs/dbraw/zinc/73/16/37/1170731637.db2.gz WPFQWUXGTBEHDB-MRVPVSSYSA-N 2 1 174.288 0.738 20 0 ACADMP COC[C@H](C)C[NH2+]C(C)(C)C[NH3+] 1578957534 1170731724 /nfs/dbraw/zinc/73/17/24/1170731724.db2.gz PWTFFFYHEWLRGV-MRVPVSSYSA-N 2 1 174.288 0.596 20 0 ACADMP COCC[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H]1C 1578994706 1170731854 /nfs/dbraw/zinc/73/18/54/1170731854.db2.gz KZLAQLYPAFPVBS-AEJSXWLSSA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@@H](C)C[NH2+]C(C)(C)C[NH3+] 1578957535 1170732100 /nfs/dbraw/zinc/73/21/00/1170732100.db2.gz PWTFFFYHEWLRGV-QMMMGPOBSA-N 2 1 174.288 0.596 20 0 ACADMP COCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578995684 1170732356 /nfs/dbraw/zinc/73/23/56/1170732356.db2.gz UGWAJJSHCQNTLT-ZNSHCXBVSA-N 2 1 198.310 0.894 20 0 ACADMP COC[C@H](C)C[NH2+][C@H]1C[NH2+]CC12CC2 1578957661 1170732406 /nfs/dbraw/zinc/73/24/06/1170732406.db2.gz SYDCLPOZZMAKJE-ZJUUUORDSA-N 2 1 198.310 0.611 20 0 ACADMP COCC[C@H](C)[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578994761 1170732438 /nfs/dbraw/zinc/73/24/38/1170732438.db2.gz LMKDLDQFZFPKME-UKKRHICBSA-N 2 1 198.310 0.561 20 0 ACADMP COC1(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)CCC1 1578930560 1170732461 /nfs/dbraw/zinc/73/24/61/1170732461.db2.gz UIQNZLWVRUZYGN-NXEZZACHSA-N 2 1 198.310 0.753 20 0 ACADMP COC1CC([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 1578935479 1170732512 /nfs/dbraw/zinc/73/25/12/1170732512.db2.gz FVLRBOHUXXBHKG-SEZDTBSWSA-N 2 1 184.283 0.361 20 0 ACADMP CO[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CC1 1578912284 1170732709 /nfs/dbraw/zinc/73/27/09/1170732709.db2.gz BGTXMNLFATVDKC-FBIMIBRVSA-N 2 1 198.310 0.609 20 0 ACADMP COC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC12CC2 1578957658 1170732918 /nfs/dbraw/zinc/73/29/18/1170732918.db2.gz SYDCLPOZZMAKJE-NXEZZACHSA-N 2 1 198.310 0.611 20 0 ACADMP COC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1578936661 1170733052 /nfs/dbraw/zinc/73/30/52/1170733052.db2.gz XUEKBSMULFUHEB-CPVIWBHCSA-N 2 1 196.294 0.646 20 0 ACADMP CO[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 1578936710 1170733105 /nfs/dbraw/zinc/73/31/05/1170733105.db2.gz BMRLQHRHLRDLHA-GWOFURMSSA-N 2 1 198.310 0.833 20 0 ACADMP COC1CC([NH2+][C@H]2CC[NH2+][C@@H]2C)C1 1578935158 1170733177 /nfs/dbraw/zinc/73/31/77/1170733177.db2.gz ASGPVRDDDGBOBC-WOOKNIGNSA-N 2 1 184.283 0.504 20 0 ACADMP CO[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1C)C1CC1 1578912285 1170733332 /nfs/dbraw/zinc/73/33/32/1170733332.db2.gz BGTXMNLFATVDKC-IEBDPFPHSA-N 2 1 198.310 0.609 20 0 ACADMP COC[C@@H](C)[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578957597 1170733454 /nfs/dbraw/zinc/73/34/54/1170733454.db2.gz RYIRANWSOLRKHR-IMSYWVGJSA-N 2 1 184.283 0.171 20 0 ACADMP COC[C@@H](C)[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578957597 1170733457 /nfs/dbraw/zinc/73/34/57/1170733457.db2.gz RYIRANWSOLRKHR-IMSYWVGJSA-N 2 1 184.283 0.171 20 0 ACADMP COC[C@H](C)[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578957594 1170733749 /nfs/dbraw/zinc/73/37/49/1170733749.db2.gz RYIRANWSOLRKHR-AXTSPUMRSA-N 2 1 184.283 0.171 20 0 ACADMP COC[C@H](C)[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578957594 1170733754 /nfs/dbraw/zinc/73/37/54/1170733754.db2.gz RYIRANWSOLRKHR-AXTSPUMRSA-N 2 1 184.283 0.171 20 0 ACADMP COCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 1578995683 1170733784 /nfs/dbraw/zinc/73/37/84/1170733784.db2.gz UGWAJJSHCQNTLT-VLEAKVRGSA-N 2 1 198.310 0.894 20 0 ACADMP COCC[C@@H](C)[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578994763 1170733825 /nfs/dbraw/zinc/73/38/25/1170733825.db2.gz LMKDLDQFZFPKME-ZNSHCXBVSA-N 2 1 198.310 0.561 20 0 ACADMP COC[C@@H](C)C[NH2+][C@H]1C[NH2+]CC12CC2 1578957659 1170733985 /nfs/dbraw/zinc/73/39/85/1170733985.db2.gz SYDCLPOZZMAKJE-UWVGGRQHSA-N 2 1 198.310 0.611 20 0 ACADMP CO[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 1578936711 1170734292 /nfs/dbraw/zinc/73/42/92/1170734292.db2.gz BMRLQHRHLRDLHA-LMLFDSFASA-N 2 1 198.310 0.833 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CCC[N@@H+](C)C1 1579505187 1170735467 /nfs/dbraw/zinc/73/54/67/1170735467.db2.gz OIMPUSJVVSKBDC-MXWKQRLJSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1[C@@H](O)CCC[N@H+]1C[C@H]1CC[NH2+]C1 1579506662 1170735677 /nfs/dbraw/zinc/73/56/77/1170735677.db2.gz STFPFMQZZIWTCP-DCAQKATOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@H+](CC(C)(C)[NH3+])C1 1579496245 1170735968 /nfs/dbraw/zinc/73/59/68/1170735968.db2.gz RPOCMOGEZNKSMC-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@@H+](CC(C)(C)[NH3+])C1 1579496245 1170735978 /nfs/dbraw/zinc/73/59/78/1170735978.db2.gz RPOCMOGEZNKSMC-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1CCSC1 1579505047 1170736078 /nfs/dbraw/zinc/73/60/78/1170736078.db2.gz GTNJTVHNVSLTOT-VGMNWLOBSA-N 2 1 186.324 0.832 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@@H+](C[C@H]2CC[NH2+]C2)C1 1579495924 1170736150 /nfs/dbraw/zinc/73/61/50/1170736150.db2.gz INVMDHMYWHLOHJ-GARJFASQSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 1579496561 1170736297 /nfs/dbraw/zinc/73/62/97/1170736297.db2.gz YEDOIMBTOZEIAA-UKKRHICBSA-N 2 1 198.310 0.426 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1CCC1C[NH2+]C1 1579507768 1170736399 /nfs/dbraw/zinc/73/63/99/1170736399.db2.gz KHPBAYPHUKTEED-WPRPVWTQSA-N 2 1 184.283 0.051 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1CC1CC[NH2+]CC1 1579507987 1170736475 /nfs/dbraw/zinc/73/64/75/1170736475.db2.gz QSIJIULQQFOTNZ-ONGXEEELSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@@H]2COC[C@@H]21 1579505164 1170736484 /nfs/dbraw/zinc/73/64/84/1170736484.db2.gz NEOHJPMWIZIYLY-UVOCVTCTSA-N 2 1 196.294 0.361 20 0 ACADMP C[C@H]1[C@@H](O)CCC[N@H+]1CCC1C[NH2+]C1 1579506261 1170736578 /nfs/dbraw/zinc/73/65/78/1170736578.db2.gz IMSWXWZIRSFVHT-ONGXEEELSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1CCC[NH2+]C1CC1 1579508286 1170736740 /nfs/dbraw/zinc/73/67/40/1170736740.db2.gz ZJPHSHRRNVLGDZ-ONGXEEELSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+]C1CCOCC1 1579505383 1170736775 /nfs/dbraw/zinc/73/67/75/1170736775.db2.gz ZAFZANUEMQKFLC-SCZZXKLOSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCC[N@@H+](C)C1 1579467576 1170736959 /nfs/dbraw/zinc/73/69/59/1170736959.db2.gz PXOQGWALLPQYER-GMTAPVOTSA-N 2 1 197.326 0.278 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 1579507547 1170737338 /nfs/dbraw/zinc/73/73/38/1170737338.db2.gz CDYIVIAWWXCMCO-MMWGEVLESA-N 2 1 198.310 0.569 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 1579508003 1170737368 /nfs/dbraw/zinc/73/73/68/1170737368.db2.gz SEZVBJBXEQHSBW-AXFHLTTASA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1CCSC1 1579505046 1170737666 /nfs/dbraw/zinc/73/76/66/1170737666.db2.gz GTNJTVHNVSLTOT-HLTSFMKQSA-N 2 1 186.324 0.832 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@@H]2COC[C@@H]21 1579505163 1170737679 /nfs/dbraw/zinc/73/76/79/1170737679.db2.gz NEOHJPMWIZIYLY-SAVGLBRCSA-N 2 1 196.294 0.361 20 0 ACADMP Cc1n[nH]c(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c1C 1579514370 1170737750 /nfs/dbraw/zinc/73/77/50/1170737750.db2.gz NECBNFJOPHOCBV-DTORHVGOSA-N 2 1 194.282 0.606 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCC[N@@H+](C)C1 1579467577 1170737850 /nfs/dbraw/zinc/73/78/50/1170737850.db2.gz PXOQGWALLPQYER-OUAUKWLOSA-N 2 1 197.326 0.278 20 0 ACADMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@@H]1CCOC1)C2 1579473768 1170737934 /nfs/dbraw/zinc/73/79/34/1170737934.db2.gz LTABASMPYXXHDE-MXWKQRLJSA-N 2 1 196.294 0.317 20 0 ACADMP C[C@H]1[C@@H](O)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 1579506660 1170737989 /nfs/dbraw/zinc/73/79/89/1170737989.db2.gz STFPFMQZZIWTCP-AXFHLTTASA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 1579507579 1170738046 /nfs/dbraw/zinc/73/80/46/1170738046.db2.gz FFAYDVCBGVAVIW-DCAQKATOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1CC[C@H]1CC[NH2+]C1 1579507578 1170738207 /nfs/dbraw/zinc/73/82/07/1170738207.db2.gz FFAYDVCBGVAVIW-AXFHLTTASA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](C[NH3+])[NH2+]C[C@]1(C)CCCCO1 1579477061 1170738371 /nfs/dbraw/zinc/73/83/71/1170738371.db2.gz XDTQOFYSOUXVGN-ZJUUUORDSA-N 2 1 186.299 0.882 20 0 ACADMP Cc1n[nH]c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1C 1579514371 1170738642 /nfs/dbraw/zinc/73/86/42/1170738642.db2.gz NECBNFJOPHOCBV-KYZUINATSA-N 2 1 194.282 0.606 20 0 ACADMP C[C@H](C[NH3+])[NH2+]C[C@@]1(C)CCCCO1 1579477060 1170738666 /nfs/dbraw/zinc/73/86/66/1170738666.db2.gz XDTQOFYSOUXVGN-NXEZZACHSA-N 2 1 186.299 0.882 20 0 ACADMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+]([C@H]1CCOC1)C2 1579473769 1170738735 /nfs/dbraw/zinc/73/87/35/1170738735.db2.gz LTABASMPYXXHDE-VWYCJHECSA-N 2 1 196.294 0.317 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@@H+](CCC2C[NH2+]C2)C1 1579496594 1170738938 /nfs/dbraw/zinc/73/89/38/1170738938.db2.gz ZYMNJFWNBJSVDR-GXSJLCMTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@@H+](C[C@@H]2CC[NH2+]C2)C1 1579495925 1170738981 /nfs/dbraw/zinc/73/89/81/1170738981.db2.gz INVMDHMYWHLOHJ-HBNTYKKESA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCSC1 1579467405 1170739090 /nfs/dbraw/zinc/73/90/90/1170739090.db2.gz CIXJBHDPCSDXIN-HRDYMLBCSA-N 2 1 186.324 0.689 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1C[C@H]1CCC[NH2+]C1 1579508004 1170739109 /nfs/dbraw/zinc/73/91/09/1170739109.db2.gz SEZVBJBXEQHSBW-DCAQKATOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCSC1 1579467406 1170739238 /nfs/dbraw/zinc/73/92/38/1170739238.db2.gz CIXJBHDPCSDXIN-IWSPIJDZSA-N 2 1 186.324 0.689 20 0 ACADMP C[C@H]1[C@@H](O)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 1579508150 1170739287 /nfs/dbraw/zinc/73/92/87/1170739287.db2.gz WKXWVEIUPZQZHG-QEYWKRMJSA-N 2 1 184.283 0.179 20 0 ACADMP C[C@H]1[NH2+]CC[C@@H]1N[C@H]1CCC[N@@H+](C)C1 1579505188 1170739329 /nfs/dbraw/zinc/73/93/29/1170739329.db2.gz OIMPUSJVVSKBDC-VWYCJHECSA-N 2 1 197.326 0.421 20 0 ACADMP Cc1[nH+]cc(CNC2(C)C[NH2+]C2)n1C 1579878791 1170739859 /nfs/dbraw/zinc/73/98/59/1170739859.db2.gz XSRGGSMXFRCOFQ-UHFFFAOYSA-N 2 1 194.282 0.180 20 0 ACADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)nc1 1579696822 1170739959 /nfs/dbraw/zinc/73/99/59/1170739959.db2.gz HBFHVAIPZXKPHO-JGZJWPJOSA-N 2 1 191.278 0.969 20 0 ACADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)n(C)n1 1579601444 1170740680 /nfs/dbraw/zinc/74/06/80/1170740680.db2.gz PZEGTFXFHZYIHK-KYZUINATSA-N 2 1 194.282 0.308 20 0 ACADMP Cc1n[nH]cc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579839504 1170740727 /nfs/dbraw/zinc/74/07/27/1170740727.db2.gz NKSDOIBUEHVNMR-DTORHVGOSA-N 2 1 180.255 0.297 20 0 ACADMP Cc1cnn(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579826952 1170740832 /nfs/dbraw/zinc/74/08/32/1170740832.db2.gz VWDFVUJCLTZQMK-KYZUINATSA-N 2 1 194.282 0.308 20 0 ACADMP Cc1[nH+]cc(CNC(C)(C)C[NH3+])n1C 1579878528 1170741297 /nfs/dbraw/zinc/74/12/97/1170741297.db2.gz RBDCSRSFSSJNLB-UHFFFAOYSA-N 2 1 196.298 0.555 20 0 ACADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)n(C)n1 1579601443 1170741452 /nfs/dbraw/zinc/74/14/52/1170741452.db2.gz PZEGTFXFHZYIHK-DTORHVGOSA-N 2 1 194.282 0.308 20 0 ACADMP Cc1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cn1 1579877907 1170741658 /nfs/dbraw/zinc/74/16/58/1170741658.db2.gz GYBHOTWECZHNLQ-AOOOYVTPSA-N 2 1 192.266 0.364 20 0 ACADMP Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 1579877908 1170741719 /nfs/dbraw/zinc/74/17/19/1170741719.db2.gz GYBHOTWECZHNLQ-MGCOHNPYSA-N 2 1 192.266 0.364 20 0 ACADMP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)cn1 1579696916 1170741781 /nfs/dbraw/zinc/74/17/81/1170741781.db2.gz MNIQARRTIJYEGG-PHIMTYICSA-N 2 1 191.278 0.969 20 0 ACADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)[nH]n1 1579601003 1170742351 /nfs/dbraw/zinc/74/23/51/1170742351.db2.gz GMKHXLFOJSLBAH-ZKCHVHJHSA-N 2 1 180.255 0.297 20 0 ACADMP Cc1cn(C)nc1C[NH2+]CC[C@H](C)[NH3+] 1579819569 1170742506 /nfs/dbraw/zinc/74/25/06/1170742506.db2.gz YXSKLRULFXWNJW-VIFPVBQESA-N 2 1 196.298 0.555 20 0 ACADMP Cc1cccnc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579809308 1170742637 /nfs/dbraw/zinc/74/26/37/1170742637.db2.gz VNUBTPWJMIMLET-MGCOHNPYSA-N 2 1 191.278 0.969 20 0 ACADMP Cc1ncc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)n1C 1579877900 1170742668 /nfs/dbraw/zinc/74/26/68/1170742668.db2.gz GWAFAGNKZIQUHY-DTORHVGOSA-N 2 1 194.282 0.308 20 0 ACADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)[nH]n1 1579601001 1170742734 /nfs/dbraw/zinc/74/27/34/1170742734.db2.gz GMKHXLFOJSLBAH-OCAPTIKFSA-N 2 1 180.255 0.297 20 0 ACADMP Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)n1C 1579877901 1170742860 /nfs/dbraw/zinc/74/28/60/1170742860.db2.gz GWAFAGNKZIQUHY-KYZUINATSA-N 2 1 194.282 0.308 20 0 ACADMP Cc1cnn(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579826950 1170742965 /nfs/dbraw/zinc/74/29/65/1170742965.db2.gz VWDFVUJCLTZQMK-DTORHVGOSA-N 2 1 194.282 0.308 20 0 ACADMP Cc1cccnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579809306 1170743073 /nfs/dbraw/zinc/74/30/73/1170743073.db2.gz VNUBTPWJMIMLET-AOOOYVTPSA-N 2 1 191.278 0.969 20 0 ACADMP Cc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579881358 1170743525 /nfs/dbraw/zinc/74/35/25/1170743525.db2.gz ATNBSYIUNWIBRD-PHIMTYICSA-N 2 1 191.278 0.969 20 0 ACADMP Cn1ccc(C[NH2+]C(C)(C)C[NH3+])c1 1579973003 1170745456 /nfs/dbraw/zinc/74/54/56/1170745456.db2.gz PEOPQQZMSFNANS-UHFFFAOYSA-N 2 1 181.283 0.852 20 0 ACADMP FC(F)(F)[C@@H]1C[C@H]1[NH2+]CC1C[NH2+]C1 1580021541 1170747140 /nfs/dbraw/zinc/74/71/40/1170747140.db2.gz SMDCUJXYWPXMPI-RNFRBKRXSA-N 2 1 194.200 0.746 20 0 ACADMP [NH3+]C[C@@]12CCCC[C@H]1C[N@H+](CCO)C2 1580255870 1170748230 /nfs/dbraw/zinc/74/82/30/1170748230.db2.gz OLRCHRRKAPHIHR-WDEREUQCSA-N 2 1 198.310 0.430 20 0 ACADMP [NH3+]C[C@]12CCCC[C@H]1C[N@H+](CCO)C2 1580255869 1170748495 /nfs/dbraw/zinc/74/84/95/1170748495.db2.gz OLRCHRRKAPHIHR-QWRGUYRKSA-N 2 1 198.310 0.430 20 0 ACADMP [NH3+]CC12CC(C[N@@H+]1CC1(O)CCC1)C2 1580247926 1170749390 /nfs/dbraw/zinc/74/93/90/1170749390.db2.gz XDATZYZBPLTMDJ-UHFFFAOYSA-N 2 1 196.294 0.325 20 0 ACADMP [NH3+]CC12CC(C[N@H+]1CC1(O)CCC1)C2 1580247926 1170749398 /nfs/dbraw/zinc/74/93/98/1170749398.db2.gz XDATZYZBPLTMDJ-UHFFFAOYSA-N 2 1 196.294 0.325 20 0 ACADMP [NH3+]CC1(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 1580244131 1170749417 /nfs/dbraw/zinc/74/94/17/1170749417.db2.gz PZYJUFJOGVRHJC-GXSJLCMTSA-N 2 1 196.294 0.182 20 0 ACADMP [NH3+]C[C@@]12CCCC[C@@H]1C[N@H+](CCO)C2 1580255867 1170749490 /nfs/dbraw/zinc/74/94/90/1170749490.db2.gz OLRCHRRKAPHIHR-GHMZBOCLSA-N 2 1 198.310 0.430 20 0 ACADMP [NH3+]CC1(C[NH2+]Cc2cnccn2)CC1 1580244339 1170750271 /nfs/dbraw/zinc/75/02/71/1170750271.db2.gz UJJBUVMOSFTXRO-UHFFFAOYSA-N 2 1 192.266 0.305 20 0 ACADMP [NH3+]C[C@]12CCCC[C@@H]1C[N@H+](CCO)C2 1580255868 1170750298 /nfs/dbraw/zinc/75/02/98/1170750298.db2.gz OLRCHRRKAPHIHR-MNOVXSKESA-N 2 1 198.310 0.430 20 0 ACADMP [NH3+]CC[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]21 1580284723 1170750966 /nfs/dbraw/zinc/75/09/66/1170750966.db2.gz PVDSGAYNBVNTQM-GMTAPVOTSA-N 2 1 198.310 0.571 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](O)C2)C1 1580387075 1170752074 /nfs/dbraw/zinc/75/20/74/1170752074.db2.gz IZYAWMJKFZIUIB-AEJSXWLSSA-N 2 1 184.283 0.180 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]2CO)C1 1580387410 1170752119 /nfs/dbraw/zinc/75/21/19/1170752119.db2.gz DNIJPPZHVHZFBX-IVZWLZJFSA-N 2 1 184.283 0.180 20 0 ACADMP [NH3+]CC[N@@H+]1C[C@H]2CC[C@@H](O)C[C@H]2C1 1580311315 1170752135 /nfs/dbraw/zinc/75/21/35/1170752135.db2.gz OZELZAXMDMAZHP-KXUCPTDWSA-N 2 1 184.283 0.038 20 0 ACADMP [NH3+]CC[N@H+]1C[C@H]2CC[C@@H](O)C[C@H]2C1 1580311315 1170752139 /nfs/dbraw/zinc/75/21/39/1170752139.db2.gz OZELZAXMDMAZHP-KXUCPTDWSA-N 2 1 184.283 0.038 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC=C[C@@H]2CO)C1 1580387545 1170752195 /nfs/dbraw/zinc/75/21/95/1170752195.db2.gz LQOILLAUEARDKJ-HBNTYKKESA-N 2 1 196.294 0.347 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC=C[C@H]2CO)C1 1580387544 1170752246 /nfs/dbraw/zinc/75/22/46/1170752246.db2.gz LQOILLAUEARDKJ-AXFHLTTASA-N 2 1 196.294 0.347 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]2CO)C1 1580387409 1170754075 /nfs/dbraw/zinc/75/40/75/1170754075.db2.gz DNIJPPZHVHZFBX-AEJSXWLSSA-N 2 1 184.283 0.180 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[NH2+]Cc2ccn[nH]2)C1 1580389258 1170754762 /nfs/dbraw/zinc/75/47/62/1170754762.db2.gz FVXKMIYNXZXGIC-DTWKUNHWSA-N 2 1 194.282 0.627 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](CO)C2)C1 1580387624 1170754845 /nfs/dbraw/zinc/75/48/45/1170754845.db2.gz RJLQOBQBOGVDQE-GARJFASQSA-N 2 1 198.310 0.428 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CO)C2)C1 1580387625 1170755234 /nfs/dbraw/zinc/75/52/34/1170755234.db2.gz RJLQOBQBOGVDQE-HBNTYKKESA-N 2 1 198.310 0.428 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](CC2=NOCC2)C1 1580288566 1170755268 /nfs/dbraw/zinc/75/52/68/1170755268.db2.gz PAJBXXQTCAXOHX-VIFPVBQESA-N 2 1 197.282 0.433 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2=NOCC2)C1 1580288565 1170755563 /nfs/dbraw/zinc/75/55/63/1170755563.db2.gz PAJBXXQTCAXOHX-SECBINFHSA-N 2 1 197.282 0.433 20 0 ACADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 1580422936 1170755947 /nfs/dbraw/zinc/75/59/47/1170755947.db2.gz IPFNELALPLDJEK-AOOOYVTPSA-N 2 1 177.251 0.661 20 0 ACADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccns2)C1 1580431793 1170756199 /nfs/dbraw/zinc/75/61/99/1170756199.db2.gz VONAUMAEKSVABG-LJGSYFOKSA-N 2 1 183.280 0.722 20 0 ACADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)C1 1580423189 1170757662 /nfs/dbraw/zinc/75/76/62/1170757662.db2.gz SSOJKKULPDJPFO-AOOOYVTPSA-N 2 1 192.262 0.972 20 0 ACADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 1580423227 1170758108 /nfs/dbraw/zinc/75/81/08/1170758108.db2.gz VONAUMAEKSVABG-KNVOCYPGSA-N 2 1 183.280 0.722 20 0 ACADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 1580422929 1170759127 /nfs/dbraw/zinc/75/91/27/1170759127.db2.gz IHVRTISPPFXMQY-KNVOCYPGSA-N 2 1 183.280 0.722 20 0 ACADMP OCCC[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1580883706 1170761037 /nfs/dbraw/zinc/76/10/37/1170761037.db2.gz WLEYFNFRAGFGCH-ZJUUUORDSA-N 2 1 184.283 0.243 20 0 ACADMP Nc1ncccc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1580472562 1170763061 /nfs/dbraw/zinc/76/30/61/1170763061.db2.gz NMADKUZITYWSQL-DTORHVGOSA-N 2 1 192.266 0.243 20 0 ACADMP O[C@@]12CC[N@H+](CCC3C[NH2+]C3)C[C@@H]1C2 1580885797 1170764764 /nfs/dbraw/zinc/76/47/64/1170764764.db2.gz NLWYPURNEBEYCY-WDEREUQCSA-N 2 1 196.294 0.053 20 0 ACADMP O[C@@]12CC[N@H+](C[C@H]3CC[NH2+]C3)C[C@@H]1C2 1580885501 1170764846 /nfs/dbraw/zinc/76/48/46/1170764846.db2.gz ANPYYGKFYVOMMK-GARJFASQSA-N 2 1 196.294 0.053 20 0 ACADMP O[C@@]12CC[N@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]1C2 1580885502 1170765115 /nfs/dbraw/zinc/76/51/15/1170765115.db2.gz ANPYYGKFYVOMMK-OUAUKWLOSA-N 2 1 196.294 0.053 20 0 ACADMP OC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 1580884661 1170765577 /nfs/dbraw/zinc/76/55/77/1170765577.db2.gz LDLJGEYJUXODOD-OUAUKWLOSA-N 2 1 198.310 0.489 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 50249315 571673420 /nfs/dbraw/zinc/67/34/20/571673420.db2.gz DTDLQKIZICFCSQ-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP COC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 53199507 571683991 /nfs/dbraw/zinc/68/39/91/571683991.db2.gz YDIRWPMWUUTRGO-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[NH2+]CC[N@H+](C)CC(C)C 37108755 571688169 /nfs/dbraw/zinc/68/81/69/571688169.db2.gz DNUDSNYINSCYMP-UHFFFAOYSA-N 2 1 144.262 0.794 20 0 ACADMP C[NH2+]CC[N@@H+](C)CC(C)C 37108755 571688172 /nfs/dbraw/zinc/68/81/72/571688172.db2.gz DNUDSNYINSCYMP-UHFFFAOYSA-N 2 1 144.262 0.794 20 0 ACADMP CC[C@H](C)[N@H+](C)CC[NH2+]C 37110426 571688236 /nfs/dbraw/zinc/68/82/36/571688236.db2.gz VYOFSEDADVRPFS-QMMMGPOBSA-N 2 1 144.262 0.936 20 0 ACADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C 37110426 571688237 /nfs/dbraw/zinc/68/82/37/571688237.db2.gz VYOFSEDADVRPFS-QMMMGPOBSA-N 2 1 144.262 0.936 20 0 ACADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C 37110424 571688520 /nfs/dbraw/zinc/68/85/20/571688520.db2.gz VYOFSEDADVRPFS-MRVPVSSYSA-N 2 1 144.262 0.936 20 0 ACADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C 37110424 571688526 /nfs/dbraw/zinc/68/85/26/571688526.db2.gz VYOFSEDADVRPFS-MRVPVSSYSA-N 2 1 144.262 0.936 20 0 ACADMP CNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 70946496 571767148 /nfs/dbraw/zinc/76/71/48/571767148.db2.gz BPOABBLMGSJBQL-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] 251110748 571804128 /nfs/dbraw/zinc/80/41/28/571804128.db2.gz UEYJYIDHFULCPG-UWVGGRQHSA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] 251110748 571804133 /nfs/dbraw/zinc/80/41/33/571804133.db2.gz UEYJYIDHFULCPG-UWVGGRQHSA-N 2 1 186.299 0.571 20 0 ACADMP C[NH2+]C[C@H]1CCc2[nH+]c[nH]c2C1 107308039 571805725 /nfs/dbraw/zinc/80/57/25/571805725.db2.gz ONUVDRFKHUJEJH-ZETCQYMHSA-N 2 1 165.240 0.734 20 0 ACADMP C[NH2+]C[C@@H]1CCc2[nH+]c[nH]c2C1 107308036 571805835 /nfs/dbraw/zinc/80/58/35/571805835.db2.gz ONUVDRFKHUJEJH-SSDOTTSWSA-N 2 1 165.240 0.734 20 0 ACADMP CC[C@@H]1C[N@@H+](C[C@H](C)O)CC[C@@H]1[NH3+] 233914235 571845885 /nfs/dbraw/zinc/84/58/85/571845885.db2.gz JBVZMUWQLMOLHD-AEJSXWLSSA-N 2 1 186.299 0.426 20 0 ACADMP CCOCC[N@H+]1CCC[C@@H](C[NH3+])C1 35359014 571864244 /nfs/dbraw/zinc/86/42/44/571864244.db2.gz MAZZSFSQWNZTCP-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP CC[C@H](O)C[N@H+](CC)CCN 300747367 571877742 /nfs/dbraw/zinc/87/77/42/571877742.db2.gz DLONYCGZCSJGDP-QMMMGPOBSA-N 2 1 160.261 0.038 20 0 ACADMP CC[C@H](O)C[N@@H+](CC)CCN 300747367 571877743 /nfs/dbraw/zinc/87/77/43/571877743.db2.gz DLONYCGZCSJGDP-QMMMGPOBSA-N 2 1 160.261 0.038 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@H](C)C[NH3+])C1 300026765 571880822 /nfs/dbraw/zinc/88/08/22/571880822.db2.gz ZVRAUCWEIJFPGJ-ZJUUUORDSA-N 2 1 185.315 0.408 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@H](C)C[NH3+])C1 300026762 571882654 /nfs/dbraw/zinc/88/26/54/571882654.db2.gz ZVRAUCWEIJFPGJ-NXEZZACHSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@@H]1C[N@H+](CCCCCO)C[C@H]1[NH3+] 300047399 571891128 /nfs/dbraw/zinc/89/11/28/571891128.db2.gz DDPNOKGSPCMJEO-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1C[N@@H+](CCCCCO)C[C@H]1[NH3+] 300047399 571891129 /nfs/dbraw/zinc/89/11/29/571891129.db2.gz DDPNOKGSPCMJEO-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP COC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 227649817 571899457 /nfs/dbraw/zinc/89/94/57/571899457.db2.gz SKRNKQNYPDIPME-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 227649817 571899458 /nfs/dbraw/zinc/89/94/58/571899458.db2.gz SKRNKQNYPDIPME-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP CC[N@@H+](CCN)C[C@@](C)(O)CC 300772696 571917662 /nfs/dbraw/zinc/91/76/62/571917662.db2.gz QXFXYEMXGLNFNR-VIFPVBQESA-N 2 1 174.288 0.428 20 0 ACADMP CC[N@H+](CC[NH3+])C[C@@](C)(O)CC 300772696 571917665 /nfs/dbraw/zinc/91/76/65/571917665.db2.gz QXFXYEMXGLNFNR-VIFPVBQESA-N 2 1 174.288 0.428 20 0 ACADMP CC[N@@H+](CC[NH3+])C[C@@](C)(O)CC 300772696 571917666 /nfs/dbraw/zinc/91/76/66/571917666.db2.gz QXFXYEMXGLNFNR-VIFPVBQESA-N 2 1 174.288 0.428 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCCO 235478801 571922284 /nfs/dbraw/zinc/92/22/84/571922284.db2.gz KTKWICZBTKZIBM-JTQLQIEISA-N 2 1 188.315 0.818 20 0 ACADMP CCOCC[N@H+]1CCC[C@H](C[NH3+])C1 35359013 572022109 /nfs/dbraw/zinc/02/21/09/572022109.db2.gz MAZZSFSQWNZTCP-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 82456058 572023007 /nfs/dbraw/zinc/02/30/07/572023007.db2.gz SHOBLZUXYQIHPY-JTQLQIEISA-N 2 1 184.283 0.459 20 0 ACADMP c1nc(C[NH2+]CC2CCOCC2)c[nH]1 82394862 572023735 /nfs/dbraw/zinc/02/37/35/572023735.db2.gz VQIPQMOTZWUUBR-UHFFFAOYSA-N 2 1 195.266 0.926 20 0 ACADMP C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 82456057 572023885 /nfs/dbraw/zinc/02/38/85/572023885.db2.gz SHOBLZUXYQIHPY-SNVBAGLBSA-N 2 1 184.283 0.459 20 0 ACADMP COCC[C@@H](C)[NH2+]Cc1c[nH]cn1 82394893 572024908 /nfs/dbraw/zinc/02/49/08/572024908.db2.gz RDUFZRSNUKKMLP-MRVPVSSYSA-N 2 1 183.255 0.924 20 0 ACADMP CC[N@H+](C[C@@H](C)O)[C@@H]1CCC[NH2+]C1 82500799 572034328 /nfs/dbraw/zinc/03/43/28/572034328.db2.gz YGZFNNGTXRIBMT-NXEZZACHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@@H+](C[C@@H](C)O)[C@@H]1CCC[NH2+]C1 82500799 572034330 /nfs/dbraw/zinc/03/43/30/572034330.db2.gz YGZFNNGTXRIBMT-NXEZZACHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@H+](C[C@H](C)O)[C@@H]1CCC[NH2+]C1 82500801 572035404 /nfs/dbraw/zinc/03/54/04/572035404.db2.gz YGZFNNGTXRIBMT-VHSXEESVSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@@H+](C[C@H](C)O)[C@@H]1CCC[NH2+]C1 82500801 572035406 /nfs/dbraw/zinc/03/54/06/572035406.db2.gz YGZFNNGTXRIBMT-VHSXEESVSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)CO1 402176057 572045250 /nfs/dbraw/zinc/04/52/50/572045250.db2.gz YHPRMHBSGQJJHS-ZNSHCXBVSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C)C1 402176053 572046210 /nfs/dbraw/zinc/04/62/10/572046210.db2.gz YHPRMHBSGQJJHS-RCWTZXSCSA-N 2 1 198.310 0.894 20 0 ACADMP COCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 82560612 572049898 /nfs/dbraw/zinc/04/98/98/572049898.db2.gz AQCJALPSDNSCDN-ZJUUUORDSA-N 2 1 186.299 0.420 20 0 ACADMP Cc1cn(CCC[NH3+])c(C)[nH+]1 34100512 572054815 /nfs/dbraw/zinc/05/48/15/572054815.db2.gz RHSFCFQRXVEMTJ-UHFFFAOYSA-N 2 1 153.229 0.849 20 0 ACADMP COc1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 34115985 572056890 /nfs/dbraw/zinc/05/68/90/572056890.db2.gz RZGGSMNBRJMDSL-MNOVXSKESA-N 2 1 192.262 0.709 20 0 ACADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)C 37078591 572080397 /nfs/dbraw/zinc/08/03/97/572080397.db2.gz IFIVXQYHBXVSMP-VIFPVBQESA-N 2 1 174.288 0.297 20 0 ACADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)C 37078590 572082662 /nfs/dbraw/zinc/08/26/62/572082662.db2.gz IFIVXQYHBXVSMP-SECBINFHSA-N 2 1 174.288 0.297 20 0 ACADMP CC(C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 37080892 572084912 /nfs/dbraw/zinc/08/49/12/572084912.db2.gz XECRWVUQJWOJIH-JTQLQIEISA-N 2 1 186.299 0.440 20 0 ACADMP CC(C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 37080892 572084916 /nfs/dbraw/zinc/08/49/16/572084916.db2.gz XECRWVUQJWOJIH-JTQLQIEISA-N 2 1 186.299 0.440 20 0 ACADMP CC(C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 37080893 572087288 /nfs/dbraw/zinc/08/72/88/572087288.db2.gz XECRWVUQJWOJIH-SNVBAGLBSA-N 2 1 186.299 0.440 20 0 ACADMP CC(C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 37080893 572087290 /nfs/dbraw/zinc/08/72/90/572087290.db2.gz XECRWVUQJWOJIH-SNVBAGLBSA-N 2 1 186.299 0.440 20 0 ACADMP CC[N@@H+](CCCO)C1CC[NH2+]CC1 37469519 572131959 /nfs/dbraw/zinc/13/19/59/572131959.db2.gz LDHFWASBPGPRTL-UHFFFAOYSA-N 2 1 186.299 0.443 20 0 ACADMP C[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 69724141 572134628 /nfs/dbraw/zinc/13/46/28/572134628.db2.gz NMVYOVNGDBDISN-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 69724138 572135297 /nfs/dbraw/zinc/13/52/97/572135297.db2.gz NMVYOVNGDBDISN-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] 69720950 572145776 /nfs/dbraw/zinc/14/57/76/572145776.db2.gz NIIGAZDYYGTKOF-VHSXEESVSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] 69720953 572146023 /nfs/dbraw/zinc/14/60/23/572146023.db2.gz NIIGAZDYYGTKOF-NXEZZACHSA-N 2 1 186.299 0.571 20 0 ACADMP C[N@@H+](CC1CCC1)C[C@](C)(O)C[NH3+] 82906390 572149867 /nfs/dbraw/zinc/14/98/67/572149867.db2.gz PIAPNEQICPUZAO-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@@H+](CC1CCC1)C[C@@](C)(O)C[NH3+] 82906391 572150292 /nfs/dbraw/zinc/15/02/92/572150292.db2.gz PIAPNEQICPUZAO-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP CC[N@@H+](CCN1CC[NH2+]CC1)C(C)C 37482563 572157167 /nfs/dbraw/zinc/15/71/67/572157167.db2.gz RJQQLDHMKTUELV-UHFFFAOYSA-N 2 1 199.342 0.622 20 0 ACADMP CC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 37689206 572174523 /nfs/dbraw/zinc/17/45/23/572174523.db2.gz SDFVMLCMJWQNHR-JTQLQIEISA-N 2 1 186.299 0.441 20 0 ACADMP CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37688865 572174837 /nfs/dbraw/zinc/17/48/37/572174837.db2.gz KZJCRKLHDWTPJT-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)O)C1 37687925 572175300 /nfs/dbraw/zinc/17/53/00/572175300.db2.gz HNEGQDPUVZRTDU-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37688864 572175588 /nfs/dbraw/zinc/17/55/88/572175588.db2.gz KZJCRKLHDWTPJT-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37688862 572175920 /nfs/dbraw/zinc/17/59/20/572175920.db2.gz KZJCRKLHDWTPJT-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37688863 572176340 /nfs/dbraw/zinc/17/63/40/572176340.db2.gz KZJCRKLHDWTPJT-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 37687926 572176400 /nfs/dbraw/zinc/17/64/00/572176400.db2.gz HNEGQDPUVZRTDU-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H](O)C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 35601443 572177978 /nfs/dbraw/zinc/17/79/78/572177978.db2.gz LRCPEKZMONCWRC-OFLUOSHYSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H](CO)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 35602199 572178549 /nfs/dbraw/zinc/17/85/49/572178549.db2.gz JSKIAXXZHMNDDZ-OFLUOSHYSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H](CO)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 35602200 572179339 /nfs/dbraw/zinc/17/93/39/572179339.db2.gz JSKIAXXZHMNDDZ-UBJLHIIHSA-N 2 1 198.310 0.582 20 0 ACADMP COCCC[N@H+]1CCC[C@@H](C[NH3+])C1 37753906 572186476 /nfs/dbraw/zinc/18/64/76/572186476.db2.gz RQJZFUAIBRVVRB-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP COCCC[N@H+]1CCC[C@H](C[NH3+])C1 37753905 572188029 /nfs/dbraw/zinc/18/80/29/572188029.db2.gz RQJZFUAIBRVVRB-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](C)CC[C@@H]1CCCO1 83531382 572233840 /nfs/dbraw/zinc/23/38/40/572233840.db2.gz QXBPUGPLSFHHQK-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCCO1 83531382 572233842 /nfs/dbraw/zinc/23/38/42/572233842.db2.gz QXBPUGPLSFHHQK-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]([NH3+])C[N@H+](C)CC[C@@H]1CCCO1 83531381 572234141 /nfs/dbraw/zinc/23/41/41/572234141.db2.gz QXBPUGPLSFHHQK-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCCO1 83531381 572234146 /nfs/dbraw/zinc/23/41/46/572234146.db2.gz QXBPUGPLSFHHQK-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 44531501 572243316 /nfs/dbraw/zinc/24/33/16/572243316.db2.gz BZEPGCMMFUDYSV-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 234965770 572327629 /nfs/dbraw/zinc/32/76/29/572327629.db2.gz QVXVORIPJFYRDQ-HBNTYKKESA-N 2 1 198.310 0.896 20 0 ACADMP Cc1[nH+]cc([C@@H](O)[C@H](C)C[NH3+])n1C 306320940 572330948 /nfs/dbraw/zinc/33/09/48/572330948.db2.gz WWGPBLFFSFIZGW-MUWHJKNJSA-N 2 1 183.255 0.357 20 0 ACADMP Cc1[nH+]cc([C@H](O)[C@H](C)C[NH3+])n1C 306320937 572332417 /nfs/dbraw/zinc/33/24/17/572332417.db2.gz WWGPBLFFSFIZGW-HZGVNTEJSA-N 2 1 183.255 0.357 20 0 ACADMP Cc1[nH+]cc([C@H](O)[C@@H](C)C[NH3+])n1C 306320938 572332464 /nfs/dbraw/zinc/33/24/64/572332464.db2.gz WWGPBLFFSFIZGW-IMTBSYHQSA-N 2 1 183.255 0.357 20 0 ACADMP Cc1[nH+]cc([C@@H](O)[C@@H](C)C[NH3+])n1C 306320942 572333047 /nfs/dbraw/zinc/33/30/47/572333047.db2.gz WWGPBLFFSFIZGW-RCOVLWMOSA-N 2 1 183.255 0.357 20 0 ACADMP CCOCCC[N@H+](C)C[C@@H](C)[NH3+] 83553297 572333473 /nfs/dbraw/zinc/33/34/73/572333473.db2.gz UUEGRMMASABADX-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP CCOCCC[N@@H+](C)C[C@@H](C)[NH3+] 83553297 572333476 /nfs/dbraw/zinc/33/34/76/572333476.db2.gz UUEGRMMASABADX-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP CCOCCC[N@H+](C)C[C@H](C)[NH3+] 83553298 572333657 /nfs/dbraw/zinc/33/36/57/572333657.db2.gz UUEGRMMASABADX-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP CCOCCC[N@@H+](C)C[C@H](C)[NH3+] 83553298 572333659 /nfs/dbraw/zinc/33/36/59/572333659.db2.gz UUEGRMMASABADX-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP C[NH2+]CC[N@H+](C)CC1CCOCC1 52173140 572337765 /nfs/dbraw/zinc/33/77/65/572337765.db2.gz WFJRLVQPDBMRSC-UHFFFAOYSA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]CC[N@@H+](C)CC1CCOCC1 52173140 572337769 /nfs/dbraw/zinc/33/77/69/572337769.db2.gz WFJRLVQPDBMRSC-UHFFFAOYSA-N 2 1 186.299 0.564 20 0 ACADMP C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 87128180 572371595 /nfs/dbraw/zinc/37/15/95/572371595.db2.gz XQDFUXVQEJSPSU-GUBZILKMSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@H](O)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 87128182 572371861 /nfs/dbraw/zinc/37/18/61/572371861.db2.gz XQDFUXVQEJSPSU-UTLUCORTSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@@H](O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 87141113 572377642 /nfs/dbraw/zinc/37/76/42/572377642.db2.gz CMUUQDPMCATOBO-RKDXNWHRSA-N 2 1 188.315 0.672 20 0 ACADMP C[C@H](O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 87141120 572378148 /nfs/dbraw/zinc/37/81/48/572378148.db2.gz CMUUQDPMCATOBO-BDAKNGLRSA-N 2 1 188.315 0.672 20 0 ACADMP C[C@H](O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 87141117 572379003 /nfs/dbraw/zinc/37/90/03/572379003.db2.gz CMUUQDPMCATOBO-IUCAKERBSA-N 2 1 188.315 0.672 20 0 ACADMP [NH3+]C[C@@H]([NH2+]CCO)C1CCCCC1 83758168 572394235 /nfs/dbraw/zinc/39/42/35/572394235.db2.gz PCBQONWSUVLBQW-SNVBAGLBSA-N 2 1 186.299 0.476 20 0 ACADMP [NH3+]C[C@H]([NH2+]CCO)C1CCCCC1 83758169 572398056 /nfs/dbraw/zinc/39/80/56/572398056.db2.gz PCBQONWSUVLBQW-JTQLQIEISA-N 2 1 186.299 0.476 20 0 ACADMP CN(CC[NH+](C)C)c1cc[nH+]c(N)n1 83825696 572432052 /nfs/dbraw/zinc/43/20/52/572432052.db2.gz SGPKVIBSNJZALW-UHFFFAOYSA-N 2 1 195.270 0.057 20 0 ACADMP C[C@@H]1CCCC[N@H+]1CCCNC(N)=[NH2+] 53278627 572434574 /nfs/dbraw/zinc/43/45/74/572434574.db2.gz HAEJWGWSWXLWCH-SECBINFHSA-N 2 1 198.314 0.734 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 44531505 572440662 /nfs/dbraw/zinc/44/06/62/572440662.db2.gz KGCWFZQGOZYCSL-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] 44559286 572442452 /nfs/dbraw/zinc/44/24/52/572442452.db2.gz VGQQIKWUQGRSGR-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] 44559286 572442456 /nfs/dbraw/zinc/44/24/56/572442456.db2.gz VGQQIKWUQGRSGR-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP C=C/C=C\CC[N@H+](C)C[C@H](O)C[NH3+] 713716047 572480868 /nfs/dbraw/zinc/48/08/68/572480868.db2.gz HDSYOPKSZWNQCN-UMCURTJPSA-N 2 1 184.283 0.370 20 0 ACADMP C=C/C=C/CC[N@H+](C)C[C@H](O)C[NH3+] 713716044 572481849 /nfs/dbraw/zinc/48/18/49/572481849.db2.gz HDSYOPKSZWNQCN-ORAHPGNNSA-N 2 1 184.283 0.370 20 0 ACADMP C=C/C=C\CC[N@H+](C)C[C@@H](O)C[NH3+] 713716039 572483752 /nfs/dbraw/zinc/48/37/52/572483752.db2.gz HDSYOPKSZWNQCN-LWTINBJPSA-N 2 1 184.283 0.370 20 0 ACADMP C[C@@H](C[NH3+])N[C@H]1CCC[N@@H+](C)C1 235099599 572498353 /nfs/dbraw/zinc/49/83/53/572498353.db2.gz NYCDDHHWYXUDNX-IUCAKERBSA-N 2 1 171.288 0.017 20 0 ACADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)[C@H](C)O 87472763 572504961 /nfs/dbraw/zinc/50/49/61/572504961.db2.gz URVMGERTCBFBKL-IUCAKERBSA-N 2 1 174.288 0.297 20 0 ACADMP C[NH2+]CCC[N@@H+](C)[C@H](C)[C@H](C)O 87472764 572506146 /nfs/dbraw/zinc/50/61/46/572506146.db2.gz URVMGERTCBFBKL-BDAKNGLRSA-N 2 1 174.288 0.297 20 0 ACADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)[C@@H](C)O 87472761 572507804 /nfs/dbraw/zinc/50/78/04/572507804.db2.gz URVMGERTCBFBKL-DTWKUNHWSA-N 2 1 174.288 0.297 20 0 ACADMP CC[C@H](O)C[N@@H+](C)CCC[NH2+]C 87472783 572508624 /nfs/dbraw/zinc/50/86/24/572508624.db2.gz IXSKBYWDYXVWQR-VIFPVBQESA-N 2 1 174.288 0.299 20 0 ACADMP C[NH2+]CCC[N@@H+](C)[C@H](C)[C@@H](C)O 87472762 572508945 /nfs/dbraw/zinc/50/89/45/572508945.db2.gz URVMGERTCBFBKL-RKDXNWHRSA-N 2 1 174.288 0.297 20 0 ACADMP CC(C)[N@H+](C)Cc1cn(CC[NH3+])nn1 84378868 572546002 /nfs/dbraw/zinc/54/60/02/572546002.db2.gz BMQXHSQYHCOBQP-UHFFFAOYSA-N 2 1 197.286 0.077 20 0 ACADMP CC(C)[N@@H+](C)Cc1cn(CC[NH3+])nn1 84378868 572546004 /nfs/dbraw/zinc/54/60/04/572546004.db2.gz BMQXHSQYHCOBQP-UHFFFAOYSA-N 2 1 197.286 0.077 20 0 ACADMP CC[NH+]1CCC(C[NH2+]C2CNC2)CC1 84418616 572548457 /nfs/dbraw/zinc/54/84/57/572548457.db2.gz RYVSTVRXPQDAOS-UHFFFAOYSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H](C[NH3+])N[C@@H]1CCC[N@@H+](C)C1 235147848 572549056 /nfs/dbraw/zinc/54/90/56/572549056.db2.gz NYCDDHHWYXUDNX-DTWKUNHWSA-N 2 1 171.288 0.017 20 0 ACADMP OC[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 251340347 572558688 /nfs/dbraw/zinc/55/86/88/572558688.db2.gz QBDAAOOHDORVNA-MNOVXSKESA-N 2 1 198.310 0.443 20 0 ACADMP OC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 251340343 572558756 /nfs/dbraw/zinc/55/87/56/572558756.db2.gz QBDAAOOHDORVNA-GHMZBOCLSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@@H]1C[C@H]([N@H+](C)CC[NH3+])CCO1 69894291 572599158 /nfs/dbraw/zinc/59/91/58/572599158.db2.gz DXVBCPULZMWJBX-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1C[C@H]([N@@H+](C)CC[NH3+])CCO1 69894291 572599159 /nfs/dbraw/zinc/59/91/59/572599159.db2.gz DXVBCPULZMWJBX-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 70074229 572634592 /nfs/dbraw/zinc/63/45/92/572634592.db2.gz AWJIANWJJLTBDX-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 70074230 572636838 /nfs/dbraw/zinc/63/68/38/572636838.db2.gz AWJIANWJJLTBDX-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP C[N@@H+](CCF)CC1CC[NH2+]CC1 87776683 572712119 /nfs/dbraw/zinc/71/21/19/572712119.db2.gz ATNGYSYNFDHEGI-UHFFFAOYSA-N 2 1 174.263 0.887 20 0 ACADMP c1nc(C[NH2+]CC2CC2)c[nH]1 54762891 572723282 /nfs/dbraw/zinc/72/32/82/572723282.db2.gz IISDCPIILFHDHN-UHFFFAOYSA-N 2 1 151.213 0.909 20 0 ACADMP c1nc(C[NH2+]C2CCOCC2)c[nH]1 54764139 572724354 /nfs/dbraw/zinc/72/43/54/572724354.db2.gz PGBWJAMWEYHOPG-UHFFFAOYSA-N 2 1 181.239 0.678 20 0 ACADMP CN(CC[NH+](C)C)c1cc(N)[nH+]cn1 87830208 572731286 /nfs/dbraw/zinc/73/12/86/572731286.db2.gz OWHRCPOATBEEDD-UHFFFAOYSA-N 2 1 195.270 0.057 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@H](O)C1 299909580 572782743 /nfs/dbraw/zinc/78/27/43/572782743.db2.gz KUUPRXBXQVKCJM-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP OCC1([NH2+]C[C@H]2CCC[NH2+]2)CCCC1 236483701 572783599 /nfs/dbraw/zinc/78/35/99/572783599.db2.gz QPOYAXPKYLSBPG-SNVBAGLBSA-N 2 1 198.310 0.633 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@H](O)C1 299909581 572784971 /nfs/dbraw/zinc/78/49/71/572784971.db2.gz KUUPRXBXQVKCJM-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H]1CCC[N@@H+](CCNC(N)=[NH2+])C1 71499587 572837604 /nfs/dbraw/zinc/83/76/04/572837604.db2.gz SKBJZNSJQKWUTB-QMMMGPOBSA-N 2 1 184.287 0.201 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCNC(N)=[NH2+])C1 71499586 572838143 /nfs/dbraw/zinc/83/81/43/572838143.db2.gz SKBJZNSJQKWUTB-MRVPVSSYSA-N 2 1 184.287 0.201 20 0 ACADMP CO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 234880145 572855565 /nfs/dbraw/zinc/85/55/65/572855565.db2.gz FVVVKONQEIFHMF-VWYCJHECSA-N 2 1 198.310 0.563 20 0 ACADMP CC(C)[C@H](CO)[NH2+][C@@H]1CCC[NH2+]C1 86121145 572867394 /nfs/dbraw/zinc/86/73/94/572867394.db2.gz LTDMATYOBHHYDI-ZJUUUORDSA-N 2 1 186.299 0.345 20 0 ACADMP CC(C)[C@H](CO)[NH2+][C@H]1CCC[NH2+]C1 86121152 572869037 /nfs/dbraw/zinc/86/90/37/572869037.db2.gz LTDMATYOBHHYDI-UWVGGRQHSA-N 2 1 186.299 0.345 20 0 ACADMP CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 234887830 572896046 /nfs/dbraw/zinc/89/60/46/572896046.db2.gz QVXVORIPJFYRDQ-GMTAPVOTSA-N 2 1 198.310 0.896 20 0 ACADMP COC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 250458181 572897727 /nfs/dbraw/zinc/89/77/27/572897727.db2.gz JREZICNSYVHRHG-GHMZBOCLSA-N 2 1 198.310 0.849 20 0 ACADMP COC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 250458181 572897732 /nfs/dbraw/zinc/89/77/32/572897732.db2.gz JREZICNSYVHRHG-GHMZBOCLSA-N 2 1 198.310 0.849 20 0 ACADMP COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 250458182 572898897 /nfs/dbraw/zinc/89/88/97/572898897.db2.gz JREZICNSYVHRHG-MNOVXSKESA-N 2 1 198.310 0.849 20 0 ACADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 250458182 572898900 /nfs/dbraw/zinc/89/89/00/572898900.db2.gz JREZICNSYVHRHG-MNOVXSKESA-N 2 1 198.310 0.849 20 0 ACADMP CC[N@@H+](CCOCC[NH3+])C(C)C 86435371 572936197 /nfs/dbraw/zinc/93/61/97/572936197.db2.gz WJWDGXLSNNBYGX-UHFFFAOYSA-N 2 1 174.288 0.692 20 0 ACADMP OCC[N@H+](C1CC[NH2+]CC1)C1CC1 86432267 572938146 /nfs/dbraw/zinc/93/81/46/572938146.db2.gz SANRDDFYJOEMIL-UHFFFAOYSA-N 2 1 184.283 0.195 20 0 ACADMP Cc1cn[nH]c1CNC(C)(C)C[NH3+] 308196241 572939170 /nfs/dbraw/zinc/93/91/70/572939170.db2.gz MSKDGTRGVAOXNT-UHFFFAOYSA-N 2 1 182.271 0.545 20 0 ACADMP CC(C)([NH3+])CC[NH2+]Cc1cc[nH]n1 308220133 573004973 /nfs/dbraw/zinc/00/49/73/573004973.db2.gz NXGVYGXZZFGRDT-UHFFFAOYSA-N 2 1 182.271 0.627 20 0 ACADMP C[C@H]1C[C@H]1C[NH2+]CC[NH3+] 104600258 573057747 /nfs/dbraw/zinc/05/77/47/573057747.db2.gz JVXWWMBSHOSITN-BQBZGAKWSA-N 2 1 128.219 0.191 20 0 ACADMP C[C@H]1C[C@@H]1C[NH2+]CC[NH3+] 104600249 573059397 /nfs/dbraw/zinc/05/93/97/573059397.db2.gz JVXWWMBSHOSITN-NKWVEPMBSA-N 2 1 128.219 0.191 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+]CC[NH3+] 104600254 573060120 /nfs/dbraw/zinc/06/01/20/573060120.db2.gz JVXWWMBSHOSITN-RQJHMYQMSA-N 2 1 128.219 0.191 20 0 ACADMP C[N@H+]1CCN(CC(C)(C)[NH3+])CC1(C)C 82485452 573072663 /nfs/dbraw/zinc/07/26/63/573072663.db2.gz SJFVSMYMZCCEFA-UHFFFAOYSA-N 2 1 199.342 0.750 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCOCC1 82560882 573101039 /nfs/dbraw/zinc/10/10/39/573101039.db2.gz CYIRDXFHWQIERK-MNOVXSKESA-N 2 1 198.310 0.564 20 0 ACADMP Cc1cc(N[C@@H](C)C[NH3+])nc(C)[nH+]1 82576038 573104127 /nfs/dbraw/zinc/10/41/27/573104127.db2.gz KDZXSYRCOTZOBW-ZETCQYMHSA-N 2 1 180.255 0.853 20 0 ACADMP Cc1cc(N2CC([NH3+])C2)nc(C)[nH+]1 82593168 573115319 /nfs/dbraw/zinc/11/53/19/573115319.db2.gz NNXLTUUZVCKCBP-UHFFFAOYSA-N 2 1 178.239 0.241 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 235495900 573141484 /nfs/dbraw/zinc/14/14/84/573141484.db2.gz RNCOWZBTPJOCJB-CIUDSAMLSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 235494495 573142196 /nfs/dbraw/zinc/14/21/96/573142196.db2.gz FLZCHWSUNZTYBS-LPEHRKFASA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCO)C1 82645472 573143229 /nfs/dbraw/zinc/14/32/29/573143229.db2.gz XJLUZIOQOHJSBX-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645606 573143857 /nfs/dbraw/zinc/14/38/57/573143857.db2.gz FLZCHWSUNZTYBS-AEJSXWLSSA-N 2 1 186.299 0.426 20 0 ACADMP CC(C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 85789710 573144002 /nfs/dbraw/zinc/14/40/02/573144002.db2.gz NAZTUTOPBDASTH-MNOVXSKESA-N 2 1 198.310 0.848 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCO)C1 82645474 573144007 /nfs/dbraw/zinc/14/40/07/573144007.db2.gz XJLUZIOQOHJSBX-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP CC(C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 85789710 573144010 /nfs/dbraw/zinc/14/40/10/573144010.db2.gz NAZTUTOPBDASTH-MNOVXSKESA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 235495303 573145056 /nfs/dbraw/zinc/14/50/56/573145056.db2.gz FLZCHWSUNZTYBS-GUBZILKMSA-N 2 1 186.299 0.426 20 0 ACADMP CC(C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 85789708 573145759 /nfs/dbraw/zinc/14/57/59/573145759.db2.gz NAZTUTOPBDASTH-GHMZBOCLSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCO)C1 82645473 573145550 /nfs/dbraw/zinc/14/55/50/573145550.db2.gz XJLUZIOQOHJSBX-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP CC(C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 85789708 573145753 /nfs/dbraw/zinc/14/57/53/573145753.db2.gz NAZTUTOPBDASTH-GHMZBOCLSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCO)C1 82645471 573147663 /nfs/dbraw/zinc/14/76/63/573147663.db2.gz XJLUZIOQOHJSBX-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP C[N@@H+](CCO)C1CCC([NH3+])CC1 85869964 573174917 /nfs/dbraw/zinc/17/49/17/573174917.db2.gz ZCJMYZKSWRPJIJ-UHFFFAOYSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 85870065 573175090 /nfs/dbraw/zinc/17/50/90/573175090.db2.gz SUPFGFKBJFKUJZ-IDKOKCKLSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 85870067 573176218 /nfs/dbraw/zinc/17/62/18/573176218.db2.gz SUPFGFKBJFKUJZ-XNWIYYODSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@@H]1C[NH2+][C@H]2C[NH2+]C[C@@H]2C1 104708932 573206942 /nfs/dbraw/zinc/20/69/42/573206942.db2.gz RZCTVHVCNKXEJK-FXQIFTODSA-N 2 1 140.230 0.204 20 0 ACADMP C[C@H]([NH2+]C[C@H](C)C[NH3+])c1ncc[nH]1 308339416 573268661 /nfs/dbraw/zinc/26/86/61/573268661.db2.gz QEUBCRYLSRQPBW-SFYZADRCSA-N 2 1 182.271 0.655 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ncc[nH]1 308339414 573269522 /nfs/dbraw/zinc/26/95/22/573269522.db2.gz QEUBCRYLSRQPBW-HTQZYQBOSA-N 2 1 182.271 0.655 20 0 ACADMP C[C@H]1CCC[N@@H+](C[C@](C)(O)C[NH3+])C1 82915355 573275393 /nfs/dbraw/zinc/27/53/93/573275393.db2.gz SMTMZMQAJYALFM-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP COCCC[N@@H+]1CCCC[C@@H]1C[NH3+] 37753907 573349475 /nfs/dbraw/zinc/34/94/75/573349475.db2.gz KPDOEUMGGBKCIJ-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP COCCC[N@H+]1CCCC[C@@H]1C[NH3+] 37753907 573349484 /nfs/dbraw/zinc/34/94/84/573349484.db2.gz KPDOEUMGGBKCIJ-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCO 132978601 573360488 /nfs/dbraw/zinc/36/04/88/573360488.db2.gz CEWGGBALYHLOBB-VIFPVBQESA-N 2 1 197.282 0.552 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H](C)O 308562357 573360497 /nfs/dbraw/zinc/36/04/97/573360497.db2.gz YEQWBRURXGGVKN-RKDXNWHRSA-N 2 1 197.282 0.550 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCO 132978808 573362295 /nfs/dbraw/zinc/36/22/95/573362295.db2.gz CEWGGBALYHLOBB-SECBINFHSA-N 2 1 197.282 0.552 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CCC[NH2+]CC1 308569684 573393520 /nfs/dbraw/zinc/39/35/20/573393520.db2.gz JNRVDJAVGFEVQJ-UHFFFAOYSA-N 2 1 199.342 0.801 20 0 ACADMP [NH3+]CCCCCCN1CCC[NH2+]CC1 308569684 573393525 /nfs/dbraw/zinc/39/35/25/573393525.db2.gz JNRVDJAVGFEVQJ-UHFFFAOYSA-N 2 1 199.342 0.801 20 0 ACADMP [NH3+]CCCCCC[N@@H+]1CCCNCC1 308569684 573393533 /nfs/dbraw/zinc/39/35/33/573393533.db2.gz JNRVDJAVGFEVQJ-UHFFFAOYSA-N 2 1 199.342 0.801 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CCCNCC1 308569684 573393539 /nfs/dbraw/zinc/39/35/39/573393539.db2.gz JNRVDJAVGFEVQJ-UHFFFAOYSA-N 2 1 199.342 0.801 20 0 ACADMP C[C@H]1C[NH+]=C(NCC[N@H+](C)C2CC2)N1 308591762 573462701 /nfs/dbraw/zinc/46/27/01/573462701.db2.gz PGNJLUBNCBUNBZ-QMMMGPOBSA-N 2 1 196.298 0.018 20 0 ACADMP C[C@H]1C[NH+]=C(NCC[N@@H+](C)C2CC2)N1 308591762 573462706 /nfs/dbraw/zinc/46/27/06/573462706.db2.gz PGNJLUBNCBUNBZ-QMMMGPOBSA-N 2 1 196.298 0.018 20 0 ACADMP [NH3+]CC[NH2+][C@H]1CCCOCC1 83425403 573496987 /nfs/dbraw/zinc/49/69/87/573496987.db2.gz FLYPVYNIJBAPGS-QMMMGPOBSA-N 2 1 158.245 0.104 20 0 ACADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCO)C2 308610456 573510076 /nfs/dbraw/zinc/51/00/76/573510076.db2.gz LXILIXKYPUFPSI-QWRGUYRKSA-N 2 1 198.310 0.430 20 0 ACADMP C[C@@H](CN(C)C)[NH2+]C[C@@H]1CCC[NH2+]C1 130339519 573548658 /nfs/dbraw/zinc/54/86/58/573548658.db2.gz OKLYEAYZUZCWKH-WDEREUQCSA-N 2 1 199.342 0.526 20 0 ACADMP C[N@H+]1CCC[C@@H](NC(C)(C)C[NH3+])C1 258776486 573562771 /nfs/dbraw/zinc/56/27/71/573562771.db2.gz IFCBSIIWULUXHM-SECBINFHSA-N 2 1 185.315 0.408 20 0 ACADMP C[N@H+]1CCC[C@H](NC(C)(C)C[NH3+])C1 258776489 573564477 /nfs/dbraw/zinc/56/44/77/573564477.db2.gz IFCBSIIWULUXHM-VIFPVBQESA-N 2 1 185.315 0.408 20 0 ACADMP C[C@H]([NH3+])CCN[C@@H]1CCC[N@@H+](C)C1 258778097 573569036 /nfs/dbraw/zinc/56/90/36/573569036.db2.gz OUYCPPLYCYPQDZ-VHSXEESVSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@H]([NH3+])CN[C@@H]1CCC[N@@H+](C)C1 258794797 573577668 /nfs/dbraw/zinc/57/76/68/573577668.db2.gz QPGUQRJFJWWHOQ-DTWKUNHWSA-N 2 1 171.288 0.017 20 0 ACADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCN(C)C1 258794797 573577672 /nfs/dbraw/zinc/57/76/72/573577672.db2.gz QPGUQRJFJWWHOQ-DTWKUNHWSA-N 2 1 171.288 0.017 20 0 ACADMP C[C@@H]([NH3+])CN[C@H]1CCC[N@@H+](C)C1 258794793 573578127 /nfs/dbraw/zinc/57/81/27/573578127.db2.gz QPGUQRJFJWWHOQ-BDAKNGLRSA-N 2 1 171.288 0.017 20 0 ACADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCN(C)C1 258794793 573578138 /nfs/dbraw/zinc/57/81/38/573578138.db2.gz QPGUQRJFJWWHOQ-BDAKNGLRSA-N 2 1 171.288 0.017 20 0 ACADMP C[C@@H]([NH3+])CN[C@@H]1CCC[N@@H+](C)C1 258794804 573578874 /nfs/dbraw/zinc/57/88/74/573578874.db2.gz QPGUQRJFJWWHOQ-RKDXNWHRSA-N 2 1 171.288 0.017 20 0 ACADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCN(C)C1 258794804 573578881 /nfs/dbraw/zinc/57/88/81/573578881.db2.gz QPGUQRJFJWWHOQ-RKDXNWHRSA-N 2 1 171.288 0.017 20 0 ACADMP C1COC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 86728979 573595652 /nfs/dbraw/zinc/59/56/52/573595652.db2.gz JXBIOOJGQMRVNJ-NXEZZACHSA-N 2 1 184.283 0.365 20 0 ACADMP C[NH2+][C@@H](C)Cc1noc([C@H](C)[NH3+])n1 308642331 573615389 /nfs/dbraw/zinc/61/53/89/573615389.db2.gz FKWBSRVIHVIKBX-WDSKDSINSA-N 2 1 184.243 0.240 20 0 ACADMP C[NH2+][C@H](C)Cc1noc([C@H](C)[NH3+])n1 308642330 573617396 /nfs/dbraw/zinc/61/73/96/573617396.db2.gz FKWBSRVIHVIKBX-RITPCOANSA-N 2 1 184.243 0.240 20 0 ACADMP CC(C)C[NH2+]CC1([NH3+])CC1 83836950 573678093 /nfs/dbraw/zinc/67/80/93/573678093.db2.gz JRPFIVBOKRZELS-UHFFFAOYSA-N 2 1 142.246 0.723 20 0 ACADMP CC[C@@H](C)[NH2+]CC1([NH3+])CC1 83836944 573680026 /nfs/dbraw/zinc/68/00/26/573680026.db2.gz HLTCMXZQRVGNMZ-SSDOTTSWSA-N 2 1 142.246 0.866 20 0 ACADMP CC[C@H](C)[NH2+]CC1([NH3+])CC1 83836945 573680836 /nfs/dbraw/zinc/68/08/36/573680836.db2.gz HLTCMXZQRVGNMZ-ZETCQYMHSA-N 2 1 142.246 0.866 20 0 ACADMP CC[NH+]1CCC2(CC1)COC(N)=[NH+]2 83964381 573716649 /nfs/dbraw/zinc/71/66/49/573716649.db2.gz WXKIPIRRANHXOQ-UHFFFAOYSA-N 2 1 183.255 0.186 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 87140523 573797746 /nfs/dbraw/zinc/79/77/46/573797746.db2.gz RNKGQVIUMKBGPM-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 87140521 573797897 /nfs/dbraw/zinc/79/78/97/573797897.db2.gz RNKGQVIUMKBGPM-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1CO 42433525 573949373 /nfs/dbraw/zinc/94/93/73/573949373.db2.gz HXTKAMYDYBNITC-SECBINFHSA-N 2 1 172.272 0.053 20 0 ACADMP Cc1n[nH]cc1C[NH2+]C1CC([NH3+])C1 87651686 573996023 /nfs/dbraw/zinc/99/60/23/573996023.db2.gz NKSDOIBUEHVNMR-UHFFFAOYSA-N 2 1 180.255 0.297 20 0 ACADMP Cc1ccc(C[NH2+]C2CC([NH3+])C2)cn1 87651917 573996116 /nfs/dbraw/zinc/99/61/16/573996116.db2.gz MNIQARRTIJYEGG-UHFFFAOYSA-N 2 1 191.278 0.969 20 0 ACADMP CN(C[C@H]1CCC[N@H+]1C)C1CC([NH3+])C1 87653639 573998888 /nfs/dbraw/zinc/99/88/88/573998888.db2.gz DHRRPRAEUJBJJF-HSOILSAZSA-N 2 1 197.326 0.502 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+](CCF)C1 87774523 574030125 /nfs/dbraw/zinc/03/01/25/574030125.db2.gz KNDFHQFFBXLSRT-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+](CCF)C1 87774523 574030126 /nfs/dbraw/zinc/03/01/26/574030126.db2.gz KNDFHQFFBXLSRT-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP CC[C@@H](CO)[NH2+]CCn1cc[nH+]c1C 49330082 574030952 /nfs/dbraw/zinc/03/09/52/574030952.db2.gz GIXLQQKHSWTFBW-JTQLQIEISA-N 2 1 197.282 0.552 20 0 ACADMP CC[C@H](CO)[NH2+]CCn1cc[nH+]c1C 49330084 574031118 /nfs/dbraw/zinc/03/11/18/574031118.db2.gz GIXLQQKHSWTFBW-SNVBAGLBSA-N 2 1 197.282 0.552 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+](CCF)C1 87776576 574031134 /nfs/dbraw/zinc/03/11/34/574031134.db2.gz FLBLJGAGJCCBRT-ZETCQYMHSA-N 2 1 146.209 0.237 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CCF)C1 87776576 574031135 /nfs/dbraw/zinc/03/11/35/574031135.db2.gz FLBLJGAGJCCBRT-ZETCQYMHSA-N 2 1 146.209 0.237 20 0 ACADMP CC(C)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 11886049 486710510 /nfs/dbraw/zinc/71/05/10/486710510.db2.gz UVVHJSYQMJTCQK-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)CC[N@H+]1CCO[C@@H](C[NH3+])C1 11886049 486710511 /nfs/dbraw/zinc/71/05/11/486710511.db2.gz UVVHJSYQMJTCQK-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CCC[N@H+]1CC[C@H](C[NH2+]C)C1 11891822 486710540 /nfs/dbraw/zinc/71/05/40/486710540.db2.gz PNEMDCKPXUBUAD-SECBINFHSA-N 2 1 156.273 0.938 20 0 ACADMP CC(C)CC[N@@H+]1CCO[C@H](C[NH3+])C1 11886055 486710595 /nfs/dbraw/zinc/71/05/95/486710595.db2.gz UVVHJSYQMJTCQK-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)CC[N@H+]1CCO[C@H](C[NH3+])C1 11886055 486710597 /nfs/dbraw/zinc/71/05/97/486710597.db2.gz UVVHJSYQMJTCQK-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CCC[N@H+]1CC[C@@H](C[NH2+]C)C1 11891816 486710628 /nfs/dbraw/zinc/71/06/28/486710628.db2.gz PNEMDCKPXUBUAD-VIFPVBQESA-N 2 1 156.273 0.938 20 0 ACADMP C[N@H+](CCC[NH3+])Cc1ccccn1 19834712 486713159 /nfs/dbraw/zinc/71/31/59/486713159.db2.gz UFWRUNDMZSTCSQ-UHFFFAOYSA-N 2 1 179.267 0.862 20 0 ACADMP C[N@@H+](CCC[NH3+])Cc1ccccn1 19834712 486713163 /nfs/dbraw/zinc/71/31/63/486713163.db2.gz UFWRUNDMZSTCSQ-UHFFFAOYSA-N 2 1 179.267 0.862 20 0 ACADMP C[N@H+](CCC[NH3+])Cc1ccncc1 19834688 486713185 /nfs/dbraw/zinc/71/31/85/486713185.db2.gz DCGNTIIKMYMRKX-UHFFFAOYSA-N 2 1 179.267 0.862 20 0 ACADMP C[N@@H+](CCC[NH3+])Cc1ccncc1 19834688 486713190 /nfs/dbraw/zinc/71/31/90/486713190.db2.gz DCGNTIIKMYMRKX-UHFFFAOYSA-N 2 1 179.267 0.862 20 0 ACADMP C[N@H+](CCC[NH3+])Cc1cccnc1 19834713 486713630 /nfs/dbraw/zinc/71/36/30/486713630.db2.gz HQNZXYPZZIPPQL-UHFFFAOYSA-N 2 1 179.267 0.862 20 0 ACADMP C[N@@H+](CCC[NH3+])Cc1cccnc1 19834713 486713635 /nfs/dbraw/zinc/71/36/35/486713635.db2.gz HQNZXYPZZIPPQL-UHFFFAOYSA-N 2 1 179.267 0.862 20 0 ACADMP CCOCC[N@@H+](CC)CCC[NH3+] 35358875 486716233 /nfs/dbraw/zinc/71/62/33/486716233.db2.gz UCVZDFQKVIVKIC-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC[NH3+] 36128103 486716930 /nfs/dbraw/zinc/71/69/30/486716930.db2.gz MBGOAJPPOAXMDL-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1CO[C@@H](C)C[N@H+]1CCC[NH3+] 36128103 486716936 /nfs/dbraw/zinc/71/69/36/486716936.db2.gz MBGOAJPPOAXMDL-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1CO[C@H](C)C[N@@H+]1CCC[NH3+] 36128099 486717093 /nfs/dbraw/zinc/71/70/93/486717093.db2.gz MBGOAJPPOAXMDL-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1CO[C@H](C)C[N@H+]1CCC[NH3+] 36128099 486717097 /nfs/dbraw/zinc/71/70/97/486717097.db2.gz MBGOAJPPOAXMDL-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCCCO1 36230873 486717107 /nfs/dbraw/zinc/71/71/07/486717107.db2.gz LNYDBJYHHJPUHI-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC[NH3+] 36128101 486717210 /nfs/dbraw/zinc/71/72/10/486717210.db2.gz MBGOAJPPOAXMDL-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC[NH3+] 36128101 486717212 /nfs/dbraw/zinc/71/72/12/486717212.db2.gz MBGOAJPPOAXMDL-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1COCC[N@@H+]1CCC[NH3+] 36323032 486717282 /nfs/dbraw/zinc/71/72/82/486717282.db2.gz SMCVGZCOFRMCGJ-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@@H]1COCC[N@H+]1CCC[NH3+] 36323032 486717285 /nfs/dbraw/zinc/71/72/85/486717285.db2.gz SMCVGZCOFRMCGJ-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP CC[N@@H+](CCC[NH3+])C[C@@H]1CCCO1 36731792 486717326 /nfs/dbraw/zinc/71/73/26/486717326.db2.gz LQQGHOBNFLCDFB-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC[NH3+] 36128097 486717352 /nfs/dbraw/zinc/71/73/52/486717352.db2.gz MBGOAJPPOAXMDL-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1CO[C@H](C)C[N@H+]1CCC[NH3+] 36128097 486717355 /nfs/dbraw/zinc/71/73/55/486717355.db2.gz MBGOAJPPOAXMDL-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[N@@H+](CCC[NH3+])C[C@H]1CCCO1 36731793 486717410 /nfs/dbraw/zinc/71/74/10/486717410.db2.gz LQQGHOBNFLCDFB-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@H]1COCC[N@@H+]1CCC[NH3+] 36323035 486717418 /nfs/dbraw/zinc/71/74/18/486717418.db2.gz SMCVGZCOFRMCGJ-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@H]1COCC[N@H+]1CCC[NH3+] 36323035 486717420 /nfs/dbraw/zinc/71/74/20/486717420.db2.gz SMCVGZCOFRMCGJ-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@H]1CCCCO1 36230874 486717434 /nfs/dbraw/zinc/71/74/34/486717434.db2.gz LNYDBJYHHJPUHI-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP NC(=O)C[N@@H+](CCC[NH3+])C1CCCC1 36732156 486717458 /nfs/dbraw/zinc/71/74/58/486717458.db2.gz MGAQSMCOVLKUNX-UHFFFAOYSA-N 2 1 199.298 0.065 20 0 ACADMP CC[C@@H]1C[N@H+](CCC[NH3+])CCO1 36769216 486718401 /nfs/dbraw/zinc/71/84/01/486718401.db2.gz ZZBFDBNJBBHLQB-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@@H]1C[N@@H+](CCC[NH3+])CCO1 36769216 486718403 /nfs/dbraw/zinc/71/84/03/486718403.db2.gz ZZBFDBNJBBHLQB-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP C[N@@H+](CCC[NH3+])[C@H]1CCSC1 37174980 486718765 /nfs/dbraw/zinc/71/87/65/486718765.db2.gz SJNGTINZBGENQE-QMMMGPOBSA-N 2 1 174.313 0.773 20 0 ACADMP C[N@@H+](CCC[NH3+])[C@@H]1CCSC1 37174979 486719421 /nfs/dbraw/zinc/71/94/21/486719421.db2.gz SJNGTINZBGENQE-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP C[N@@H+](CCC[NH3+])CC1CC1 37865085 486721810 /nfs/dbraw/zinc/72/18/10/486721810.db2.gz MNOBTFFAXVMONF-UHFFFAOYSA-N 2 1 142.246 0.677 20 0 ACADMP C[NH2+]CC[NH2+]CC(C)(C)C 40494961 486724259 /nfs/dbraw/zinc/72/42/59/486724259.db2.gz SAOUNAAKHHZSJO-UHFFFAOYSA-N 2 1 144.262 0.842 20 0 ACADMP C[NH2+]CCC[N@@H+](C)C(C)C 42409237 486724792 /nfs/dbraw/zinc/72/47/92/486724792.db2.gz WVSPKQQTNTZCFE-UHFFFAOYSA-N 2 1 144.262 0.936 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](C)C1 42409718 486725212 /nfs/dbraw/zinc/72/52/12/486725212.db2.gz VFKCFIGOQRFUOG-VIFPVBQESA-N 2 1 156.273 0.938 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)C1 42409717 486725298 /nfs/dbraw/zinc/72/52/98/486725298.db2.gz VFKCFIGOQRFUOG-SECBINFHSA-N 2 1 156.273 0.938 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC1CC1 42409704 486725378 /nfs/dbraw/zinc/72/53/78/486725378.db2.gz OJOYGQFHAGMUNJ-UHFFFAOYSA-N 2 1 156.273 0.938 20 0 ACADMP CCC[N@@H+](C)CCC[NH2+]C 42409515 486725700 /nfs/dbraw/zinc/72/57/00/486725700.db2.gz OODCFTPZACBAJP-UHFFFAOYSA-N 2 1 144.262 0.938 20 0 ACADMP COC[C@@H](C)[N@@H+](C)CCC[NH3+] 42517485 486726592 /nfs/dbraw/zinc/72/65/92/486726592.db2.gz MKYGGBVFMVPFMX-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP COC[C@H](C)[N@H+](C)CC(C)(C)[NH3+] 42519578 486726806 /nfs/dbraw/zinc/72/68/06/486726806.db2.gz MJZNFQRVVDXGDO-QMMMGPOBSA-N 2 1 174.288 0.690 20 0 ACADMP COC[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] 42519578 486726812 /nfs/dbraw/zinc/72/68/12/486726812.db2.gz MJZNFQRVVDXGDO-QMMMGPOBSA-N 2 1 174.288 0.690 20 0 ACADMP COC[C@H](C)[N@@H+](C)CCC[NH3+] 42517484 486726967 /nfs/dbraw/zinc/72/69/67/486726967.db2.gz MKYGGBVFMVPFMX-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP CCCC[N@@H+](CCO)CCC[NH2+]C 42494622 486727341 /nfs/dbraw/zinc/72/73/41/486727341.db2.gz WWGNRPVHVQQKJV-UHFFFAOYSA-N 2 1 188.315 0.690 20 0 ACADMP COC[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] 42519579 486727380 /nfs/dbraw/zinc/72/73/80/486727380.db2.gz MJZNFQRVVDXGDO-MRVPVSSYSA-N 2 1 174.288 0.690 20 0 ACADMP COC[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] 42519579 486727382 /nfs/dbraw/zinc/72/73/82/486727382.db2.gz MJZNFQRVVDXGDO-MRVPVSSYSA-N 2 1 174.288 0.690 20 0 ACADMP CCC[NH2+]CC[NH2+]C(C)C 44362580 486728182 /nfs/dbraw/zinc/72/81/82/486728182.db2.gz SFMFETJWUJVYSS-UHFFFAOYSA-N 2 1 144.262 0.984 20 0 ACADMP CC[NH2+]CC[NH2+]CC(C)C 44651724 486729762 /nfs/dbraw/zinc/72/97/62/486729762.db2.gz VVXNAKDFMXLJTC-UHFFFAOYSA-N 2 1 144.262 0.842 20 0 ACADMP CC(C)OCC[N@@H+](C)CCC[NH3+] 49259206 486732585 /nfs/dbraw/zinc/73/25/85/486732585.db2.gz PUANPJQXCXNUQF-UHFFFAOYSA-N 2 1 174.288 0.692 20 0 ACADMP COCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49710455 486733604 /nfs/dbraw/zinc/73/36/04/486733604.db2.gz SEFFRVGIMIBVBM-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49710459 486734379 /nfs/dbraw/zinc/73/43/79/486734379.db2.gz SEFFRVGIMIBVBM-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@H+](CCO)CCC[NH+]1CCCC1 50104664 486736024 /nfs/dbraw/zinc/73/60/24/486736024.db2.gz CWAVNUIAGFQGRQ-UHFFFAOYSA-N 2 1 186.299 0.396 20 0 ACADMP C[N@@H+](CCO)CCC[NH+]1CCCC1 50104664 486736027 /nfs/dbraw/zinc/73/60/27/486736027.db2.gz CWAVNUIAGFQGRQ-UHFFFAOYSA-N 2 1 186.299 0.396 20 0 ACADMP Cc1[nH+]ccn1CC[N@H+](C)CCO 50104667 486736623 /nfs/dbraw/zinc/73/66/23/486736623.db2.gz KNYHQFQJMVYKQL-UHFFFAOYSA-N 2 1 183.255 0.116 20 0 ACADMP Cc1[nH+]ccn1CC[N@@H+](C)CCO 50104667 486736627 /nfs/dbraw/zinc/73/66/27/486736627.db2.gz KNYHQFQJMVYKQL-UHFFFAOYSA-N 2 1 183.255 0.116 20 0 ACADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)O 51821966 486741219 /nfs/dbraw/zinc/74/12/19/486741219.db2.gz PZTRXPXKFSMCFI-SECBINFHSA-N 2 1 197.282 0.504 20 0 ACADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)O 51821966 486741225 /nfs/dbraw/zinc/74/12/25/486741225.db2.gz PZTRXPXKFSMCFI-SECBINFHSA-N 2 1 197.282 0.504 20 0 ACADMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)O 51821967 486741820 /nfs/dbraw/zinc/74/18/20/486741820.db2.gz PZTRXPXKFSMCFI-VIFPVBQESA-N 2 1 197.282 0.504 20 0 ACADMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)O 51821967 486741814 /nfs/dbraw/zinc/74/18/14/486741814.db2.gz PZTRXPXKFSMCFI-VIFPVBQESA-N 2 1 197.282 0.504 20 0 ACADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)CO1 51889494 486742919 /nfs/dbraw/zinc/74/29/19/486742919.db2.gz APNRGAYZAHMVDJ-GMTAPVOTSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)CO1 51889494 486742922 /nfs/dbraw/zinc/74/29/22/486742922.db2.gz APNRGAYZAHMVDJ-GMTAPVOTSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 51889372 486743213 /nfs/dbraw/zinc/74/32/13/486743213.db2.gz JXPYPILBOQONIS-OUAUKWLOSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 51889372 486743217 /nfs/dbraw/zinc/74/32/17/486743217.db2.gz JXPYPILBOQONIS-OUAUKWLOSA-N 2 1 198.310 0.705 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+]C(C)C 53493411 486749657 /nfs/dbraw/zinc/74/96/57/486749657.db2.gz NPKAUKALEIYPDB-MRVPVSSYSA-N 2 1 144.262 0.982 20 0 ACADMP CC[C@H](C)C[NH2+]CC[NH2+]C 54488750 486758730 /nfs/dbraw/zinc/75/87/30/486758730.db2.gz NBOGVAHZBQFGBU-QMMMGPOBSA-N 2 1 144.262 0.842 20 0 ACADMP CC[C@@H](C)C[NH2+]CC[NH2+]C 54488748 486758800 /nfs/dbraw/zinc/75/88/00/486758800.db2.gz NBOGVAHZBQFGBU-MRVPVSSYSA-N 2 1 144.262 0.842 20 0 ACADMP COCCC[N@H+](C)C[C@@H](C)[NH3+] 62030279 486764078 /nfs/dbraw/zinc/76/40/78/486764078.db2.gz MXXJJCXQCAWDRP-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP COCCC[N@@H+](C)C[C@@H](C)[NH3+] 62030279 486764082 /nfs/dbraw/zinc/76/40/82/486764082.db2.gz MXXJJCXQCAWDRP-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 61932305 486764174 /nfs/dbraw/zinc/76/41/74/486764174.db2.gz LFMJPFDHJIXVSI-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP COCCC[N@@H+](C)CC(C)(C)[NH3+] 62036275 486764244 /nfs/dbraw/zinc/76/42/44/486764244.db2.gz NGUVEIFPRMBJGF-UHFFFAOYSA-N 2 1 174.288 0.692 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCCOC 62034017 486764394 /nfs/dbraw/zinc/76/43/94/486764394.db2.gz NTJORWSBUYPHLW-UHFFFAOYSA-N 2 1 174.288 0.564 20 0 ACADMP COCCC[N@H+](C)[C@@H](C)C[NH3+] 62029656 486764460 /nfs/dbraw/zinc/76/44/60/486764460.db2.gz UCPJWAHJGANEDV-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP COCCC[N@@H+](C)[C@@H](C)C[NH3+] 62029656 486764467 /nfs/dbraw/zinc/76/44/67/486764467.db2.gz UCPJWAHJGANEDV-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP COCCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 62031643 486764519 /nfs/dbraw/zinc/76/45/19/486764519.db2.gz HWEDZNYTOAWJFJ-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP COCCC[N@@H+](C)C[C@H]1CC[NH2+]C1 62031645 486764610 /nfs/dbraw/zinc/76/46/10/486764610.db2.gz HWEDZNYTOAWJFJ-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]CCC[N@@H+]1CCCOCC1 61932314 486764753 /nfs/dbraw/zinc/76/47/53/486764753.db2.gz MLNBDAUXPFAZMK-UHFFFAOYSA-N 2 1 172.272 0.318 20 0 ACADMP C[NH2+]CCC[N@H+]1CCCOCC1 61932314 486764756 /nfs/dbraw/zinc/76/47/56/486764756.db2.gz MLNBDAUXPFAZMK-UHFFFAOYSA-N 2 1 172.272 0.318 20 0 ACADMP COCCC[N@H+](C)[C@H](C)C[NH3+] 62029658 486764804 /nfs/dbraw/zinc/76/48/04/486764804.db2.gz UCPJWAHJGANEDV-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP COCCC[N@@H+](C)[C@H](C)C[NH3+] 62029658 486764807 /nfs/dbraw/zinc/76/48/07/486764807.db2.gz UCPJWAHJGANEDV-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 61932306 486764835 /nfs/dbraw/zinc/76/48/35/486764835.db2.gz LFMJPFDHJIXVSI-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP COCCC[N@H+](C)C[C@H](C)[NH3+] 62030277 486764890 /nfs/dbraw/zinc/76/48/90/486764890.db2.gz MXXJJCXQCAWDRP-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP COCCC[N@@H+](C)C[C@H](C)[NH3+] 62030277 486764894 /nfs/dbraw/zinc/76/48/94/486764894.db2.gz MXXJJCXQCAWDRP-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP C[NH+]1CCC(C[N@@H+](C)CCC[NH3+])CC1 63120125 486769711 /nfs/dbraw/zinc/76/97/11/486769711.db2.gz WHXOJNCHTMUZIW-UHFFFAOYSA-N 3 1 199.342 0.609 20 0 ACADMP CC[N@H+](C)C[C@H]1CC[NH+](CCO)C1 674006973 486784525 /nfs/dbraw/zinc/78/45/25/486784525.db2.gz CXOWKQNIUOBFQC-SNVBAGLBSA-N 2 1 186.299 0.252 20 0 ACADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCO)C1 674006973 486784528 /nfs/dbraw/zinc/78/45/28/486784528.db2.gz CXOWKQNIUOBFQC-SNVBAGLBSA-N 2 1 186.299 0.252 20 0 ACADMP CC[NH+](C)C[C@H]1CC[N@H+](CCO)C1 674006973 486784531 /nfs/dbraw/zinc/78/45/31/486784531.db2.gz CXOWKQNIUOBFQC-SNVBAGLBSA-N 2 1 186.299 0.252 20 0 ACADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCO)C1 674006973 486784534 /nfs/dbraw/zinc/78/45/34/486784534.db2.gz CXOWKQNIUOBFQC-SNVBAGLBSA-N 2 1 186.299 0.252 20 0 ACADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCO)C1 674006965 486784600 /nfs/dbraw/zinc/78/46/00/486784600.db2.gz CXOWKQNIUOBFQC-JTQLQIEISA-N 2 1 186.299 0.252 20 0 ACADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCO)C1 674006965 486784605 /nfs/dbraw/zinc/78/46/05/486784605.db2.gz CXOWKQNIUOBFQC-JTQLQIEISA-N 2 1 186.299 0.252 20 0 ACADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCO)C1 674006965 486784609 /nfs/dbraw/zinc/78/46/09/486784609.db2.gz CXOWKQNIUOBFQC-JTQLQIEISA-N 2 1 186.299 0.252 20 0 ACADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCO)C1 674006965 486784614 /nfs/dbraw/zinc/78/46/14/486784614.db2.gz CXOWKQNIUOBFQC-JTQLQIEISA-N 2 1 186.299 0.252 20 0 ACADMP OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 674005993 486784736 /nfs/dbraw/zinc/78/47/36/486784736.db2.gz YGFBJNOARRDOPW-LLVKDONJSA-N 2 1 198.310 0.396 20 0 ACADMP OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 674005993 486784744 /nfs/dbraw/zinc/78/47/44/486784744.db2.gz YGFBJNOARRDOPW-LLVKDONJSA-N 2 1 198.310 0.396 20 0 ACADMP OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 674005994 486785180 /nfs/dbraw/zinc/78/51/80/486785180.db2.gz YGFBJNOARRDOPW-NSHDSACASA-N 2 1 198.310 0.396 20 0 ACADMP OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 674005994 486785187 /nfs/dbraw/zinc/78/51/87/486785187.db2.gz YGFBJNOARRDOPW-NSHDSACASA-N 2 1 198.310 0.396 20 0 ACADMP C[NH+]1CCC([NH2+]CC2(C)COC2)CC1 70616903 486787875 /nfs/dbraw/zinc/78/78/75/486787875.db2.gz OWWPSYMJBZGGBP-UHFFFAOYSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)O)C1 70800051 486793381 /nfs/dbraw/zinc/79/33/81/486793381.db2.gz WOCYZJGUQXHEDY-SECBINFHSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)O)C1 70800054 486793908 /nfs/dbraw/zinc/79/39/08/486793908.db2.gz WOCYZJGUQXHEDY-VIFPVBQESA-N 2 1 186.299 0.299 20 0 ACADMP COCC[N@H+]1CCC[C@@H](CC[NH3+])C1 70975631 486798243 /nfs/dbraw/zinc/79/82/43/486798243.db2.gz QHFQBMUHABOBOZ-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP COCC[N@H+]1CCC[C@H](CC[NH3+])C1 70975629 486798308 /nfs/dbraw/zinc/79/83/08/486798308.db2.gz QHFQBMUHABOBOZ-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP C[N@@H+](CCN1CC[NH2+]CC1)C(C)(C)C 77296729 486802549 /nfs/dbraw/zinc/80/25/49/486802549.db2.gz NNWNDJAQZXCRMU-UHFFFAOYSA-N 2 1 199.342 0.622 20 0 ACADMP COCC1CC[NH+](C[C@H](C)[NH3+])CC1 78439030 486803041 /nfs/dbraw/zinc/80/30/41/486803041.db2.gz UOHXQGAOGMMUAZ-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP COCC1CC[NH+](C[C@@H](C)[NH3+])CC1 78439032 486803326 /nfs/dbraw/zinc/80/33/26/486803326.db2.gz UOHXQGAOGMMUAZ-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 81069418 486804501 /nfs/dbraw/zinc/80/45/01/486804501.db2.gz DXPOOLDJUOSICA-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 81069422 486804570 /nfs/dbraw/zinc/80/45/70/486804570.db2.gz DXPOOLDJUOSICA-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 81052139 486804650 /nfs/dbraw/zinc/80/46/50/486804650.db2.gz KWCGUELDMMUMLR-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](COC)C1 81051074 486804751 /nfs/dbraw/zinc/80/47/51/486804751.db2.gz GFJGRNKZRGVGTM-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP COC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 81066103 486804781 /nfs/dbraw/zinc/80/47/81/486804781.db2.gz YZXLANKQISJVEQ-GHMZBOCLSA-N 2 1 198.310 0.564 20 0 ACADMP COC[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 81052146 486804914 /nfs/dbraw/zinc/80/49/14/486804914.db2.gz KWCGUELDMMUMLR-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 81066106 486805096 /nfs/dbraw/zinc/80/50/96/486805096.db2.gz YZXLANKQISJVEQ-MNOVXSKESA-N 2 1 198.310 0.564 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](COC)C1 81051082 486805166 /nfs/dbraw/zinc/80/51/66/486805166.db2.gz GFJGRNKZRGVGTM-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCOC1 82544428 486814805 /nfs/dbraw/zinc/81/48/05/486814805.db2.gz NALXKZRHALKKRV-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@@H+](CC)CCC[NH2+]C 82537082 486815253 /nfs/dbraw/zinc/81/52/53/486815253.db2.gz WNEVDVKGNCJIRE-UHFFFAOYSA-N 2 1 188.315 0.954 20 0 ACADMP Cc1cc(NC[C@H](C)[NH3+])nc(C)[nH+]1 82575636 486815920 /nfs/dbraw/zinc/81/59/20/486815920.db2.gz DUJJYKZVDOGORY-LURJTMIESA-N 2 1 180.255 0.853 20 0 ACADMP Cc1cc(NC[C@@H](C)[NH3+])nc(C)[nH+]1 82575634 486816002 /nfs/dbraw/zinc/81/60/02/486816002.db2.gz DUJJYKZVDOGORY-ZCFIWIBFSA-N 2 1 180.255 0.853 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCOC1 82595089 486820224 /nfs/dbraw/zinc/82/02/24/486820224.db2.gz OUFWXRBFOAVBCO-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CCCC[C@H]1CC[NH3+] 82601497 486820294 /nfs/dbraw/zinc/82/02/94/486820294.db2.gz YFEKVZQBCXVTAD-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCOC1 82595087 486820637 /nfs/dbraw/zinc/82/06/37/486820637.db2.gz OUFWXRBFOAVBCO-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CCCC[C@@H]1CC[NH3+] 82601496 486820663 /nfs/dbraw/zinc/82/06/63/486820663.db2.gz YFEKVZQBCXVTAD-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP C[C@H]1C[C@H]1C[N@H+](C)CC[NH3+] 82647854 486823393 /nfs/dbraw/zinc/82/33/93/486823393.db2.gz YCWOVQFOQGUHHY-YUMQZZPRSA-N 2 1 142.246 0.533 20 0 ACADMP COCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] 82643416 486821846 /nfs/dbraw/zinc/82/18/46/486821846.db2.gz AMTQINDMBWJVET-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] 82643416 486821853 /nfs/dbraw/zinc/82/18/53/486821853.db2.gz AMTQINDMBWJVET-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC[NH3+] 82647907 486822938 /nfs/dbraw/zinc/82/29/38/486822938.db2.gz NVGMEERGDSVZJC-RKDXNWHRSA-N 2 1 156.273 0.923 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[NH3+] 82647851 486823100 /nfs/dbraw/zinc/82/31/00/486823100.db2.gz YCWOVQFOQGUHHY-HTQZYQBOSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+](C)CC[NH3+] 82647851 486823096 /nfs/dbraw/zinc/82/30/96/486823096.db2.gz YCWOVQFOQGUHHY-HTQZYQBOSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+](C)CC[NH3+] 82647854 486823400 /nfs/dbraw/zinc/82/34/00/486823400.db2.gz YCWOVQFOQGUHHY-YUMQZZPRSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@H]1C[C@@H]1C[N@H+](C)CC[NH3+] 82647852 486823536 /nfs/dbraw/zinc/82/35/36/486823536.db2.gz YCWOVQFOQGUHHY-JGVFFNPUSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC[NH3+] 82647852 486823538 /nfs/dbraw/zinc/82/35/38/486823538.db2.gz YCWOVQFOQGUHHY-JGVFFNPUSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH3+] 82647909 486823649 /nfs/dbraw/zinc/82/36/49/486823649.db2.gz NVGMEERGDSVZJC-BDAKNGLRSA-N 2 1 156.273 0.923 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+](C)CC[NH3+] 82647853 486823663 /nfs/dbraw/zinc/82/36/63/486823663.db2.gz YCWOVQFOQGUHHY-SFYZADRCSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC[NH3+] 82647853 486823666 /nfs/dbraw/zinc/82/36/66/486823666.db2.gz YCWOVQFOQGUHHY-SFYZADRCSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC[NH3+] 82647908 486823686 /nfs/dbraw/zinc/82/36/86/486823686.db2.gz NVGMEERGDSVZJC-DTWKUNHWSA-N 2 1 156.273 0.923 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+](C)CCC[NH3+] 82647910 486823697 /nfs/dbraw/zinc/82/36/97/486823697.db2.gz NVGMEERGDSVZJC-IUCAKERBSA-N 2 1 156.273 0.923 20 0 ACADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C 82922841 486828178 /nfs/dbraw/zinc/82/81/78/486828178.db2.gz SBKMTACJHSRJKG-DTWKUNHWSA-N 2 1 186.299 0.738 20 0 ACADMP CCO[C@H]1C[C@H]([NH2+]CC[NH3+])C1(C)C 82922842 486828302 /nfs/dbraw/zinc/82/83/02/486828302.db2.gz SBKMTACJHSRJKG-IUCAKERBSA-N 2 1 186.299 0.738 20 0 ACADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C 82922844 486828483 /nfs/dbraw/zinc/82/84/83/486828483.db2.gz SBKMTACJHSRJKG-BDAKNGLRSA-N 2 1 186.299 0.738 20 0 ACADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C1(C)C 82922843 486828788 /nfs/dbraw/zinc/82/87/88/486828788.db2.gz SBKMTACJHSRJKG-RKDXNWHRSA-N 2 1 186.299 0.738 20 0 ACADMP C[C@@H]([NH3+])CNc1cc[nH+]c(N(C)C)n1 82924390 486829773 /nfs/dbraw/zinc/82/97/73/486829773.db2.gz JQQZRKPAEVGTTN-SSDOTTSWSA-N 2 1 195.270 0.302 20 0 ACADMP C[C@H]([NH3+])CNc1cc[nH+]c(N(C)C)n1 82924389 486829944 /nfs/dbraw/zinc/82/99/44/486829944.db2.gz JQQZRKPAEVGTTN-ZETCQYMHSA-N 2 1 195.270 0.302 20 0 ACADMP C1C[C@H]([NH2+]C2CCOCC2)C[NH2+]1 83119751 486831710 /nfs/dbraw/zinc/83/17/10/486831710.db2.gz WPZWHLUTEMILFA-VIFPVBQESA-N 2 1 170.256 0.117 20 0 ACADMP C1C[C@@H]([NH2+]C2CCOCC2)C[NH2+]1 83119750 486831776 /nfs/dbraw/zinc/83/17/76/486831776.db2.gz WPZWHLUTEMILFA-SECBINFHSA-N 2 1 170.256 0.117 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CCCO1 83525892 486836442 /nfs/dbraw/zinc/83/64/42/486836442.db2.gz UDACEZAJSZXWRV-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@H+](CC[NH3+])CC[C@H]1CCCO1 83525919 486836535 /nfs/dbraw/zinc/83/65/35/486836535.db2.gz YNEHNXNWWDGLRV-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@@H+](CC[NH3+])CC[C@H]1CCCO1 83525919 486836539 /nfs/dbraw/zinc/83/65/39/486836539.db2.gz YNEHNXNWWDGLRV-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@@H+](CC[NH3+])CC[C@@H]1CCCO1 83525918 486836679 /nfs/dbraw/zinc/83/66/79/486836679.db2.gz YNEHNXNWWDGLRV-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 83527317 486836845 /nfs/dbraw/zinc/83/68/45/486836845.db2.gz CFNCKRPGVLUIFZ-MNOVXSKESA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 83527317 486836851 /nfs/dbraw/zinc/83/68/51/486836851.db2.gz CFNCKRPGVLUIFZ-MNOVXSKESA-N 2 1 198.310 0.979 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@H]1CCCO1 83525893 486836968 /nfs/dbraw/zinc/83/69/68/486836968.db2.gz UDACEZAJSZXWRV-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@H+](CC[NH3+])CC[C@@H]1CCCO1 83525918 486836673 /nfs/dbraw/zinc/83/66/73/486836673.db2.gz YNEHNXNWWDGLRV-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CCOCCC[N@@H+]1CCC[C@@H]1C[NH3+] 83551607 486837004 /nfs/dbraw/zinc/83/70/04/486837004.db2.gz OOJHAMBJBFJTMX-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CCOCCC[N@H+]1CCC[C@@H]1C[NH3+] 83551607 486837007 /nfs/dbraw/zinc/83/70/07/486837007.db2.gz OOJHAMBJBFJTMX-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CCOCCC[N@H+](CC)CC[NH3+] 83550257 486837229 /nfs/dbraw/zinc/83/72/29/486837229.db2.gz PMZLRXZPJLFBBU-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP CCOCCC[N@@H+](CC)CC[NH3+] 83550257 486837231 /nfs/dbraw/zinc/83/72/31/486837231.db2.gz PMZLRXZPJLFBBU-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP C[C@@H](O)C[N@@H+](CCC[NH3+])C1CC1 83676383 486839511 /nfs/dbraw/zinc/83/95/11/486839511.db2.gz GBRIRSWQASFFQV-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH3+])C12CCC2 83684775 486839611 /nfs/dbraw/zinc/83/96/11/486839611.db2.gz XTKFNAWEXOUAAX-NXEZZACHSA-N 2 1 198.310 0.882 20 0 ACADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH3+])C12CCC2 83684773 486839790 /nfs/dbraw/zinc/83/97/90/486839790.db2.gz XTKFNAWEXOUAAX-VHSXEESVSA-N 2 1 198.310 0.882 20 0 ACADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH3+])C12CCC2 83684776 486839919 /nfs/dbraw/zinc/83/99/19/486839919.db2.gz XTKFNAWEXOUAAX-ZJUUUORDSA-N 2 1 198.310 0.882 20 0 ACADMP C[C@H](O)C[N@@H+](CCC[NH3+])C1CC1 83676381 486840021 /nfs/dbraw/zinc/84/00/21/486840021.db2.gz GBRIRSWQASFFQV-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP CCO[C@H]1C[C@H]([NH2+]CC[NH3+])C12CCC2 83684774 486840475 /nfs/dbraw/zinc/84/04/75/486840475.db2.gz XTKFNAWEXOUAAX-UWVGGRQHSA-N 2 1 198.310 0.882 20 0 ACADMP CC(C)C[NH2+][C@H](C[NH3+])C1CC1 83762001 486841419 /nfs/dbraw/zinc/84/14/19/486841419.db2.gz IKWHQEQTZVZHFD-SECBINFHSA-N 2 1 156.273 0.969 20 0 ACADMP CC(C)C[NH2+][C@@H](C[NH3+])C1CC1 83762000 486841547 /nfs/dbraw/zinc/84/15/47/486841547.db2.gz IKWHQEQTZVZHFD-VIFPVBQESA-N 2 1 156.273 0.969 20 0 ACADMP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N(C)C 84220275 486856626 /nfs/dbraw/zinc/85/66/26/486856626.db2.gz QPHSZAFOGOBZTD-MXWKQRLJSA-N 2 1 199.342 0.654 20 0 ACADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 84217857 486855921 /nfs/dbraw/zinc/85/59/21/486855921.db2.gz PVNVHJFJFWANLT-GHMZBOCLSA-N 3 1 199.342 0.655 20 0 ACADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 84217859 486856290 /nfs/dbraw/zinc/85/62/90/486856290.db2.gz PVNVHJFJFWANLT-MNOVXSKESA-N 3 1 199.342 0.655 20 0 ACADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 84217864 486856311 /nfs/dbraw/zinc/85/63/11/486856311.db2.gz PVNVHJFJFWANLT-QWRGUYRKSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N(C)C 84220267 486856356 /nfs/dbraw/zinc/85/63/56/486856356.db2.gz QPHSZAFOGOBZTD-GMTAPVOTSA-N 2 1 199.342 0.654 20 0 ACADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 84217861 486856712 /nfs/dbraw/zinc/85/67/12/486856712.db2.gz PVNVHJFJFWANLT-WDEREUQCSA-N 3 1 199.342 0.655 20 0 ACADMP CC[NH+](CC)Cc1cn(CC[NH3+])nn1 84378856 486859260 /nfs/dbraw/zinc/85/92/60/486859260.db2.gz ZWTYHIJFCLTZDN-UHFFFAOYSA-N 2 1 197.286 0.079 20 0 ACADMP COCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 84385139 486861230 /nfs/dbraw/zinc/86/12/30/486861230.db2.gz RVVYKJHXWMFFEO-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP COCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84385137 486861465 /nfs/dbraw/zinc/86/14/65/486861465.db2.gz RVVYKJHXWMFFEO-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP CCc1cc(NC2C[NH2+]C2)nc(C)[nH+]1 85256885 486865062 /nfs/dbraw/zinc/86/50/62/486865062.db2.gz JQZOVACUBXFSOS-UHFFFAOYSA-N 2 1 192.266 0.731 20 0 ACADMP Cn1cncc1C[N@@H+]1CC[C@H](C[NH3+])C1 85170768 486865163 /nfs/dbraw/zinc/86/51/63/486865163.db2.gz UZAOMLRQUKTNNS-SECBINFHSA-N 2 1 194.282 0.201 20 0 ACADMP Cn1cncc1C[N@H+]1CC[C@H](C[NH3+])C1 85170768 486865169 /nfs/dbraw/zinc/86/51/69/486865169.db2.gz UZAOMLRQUKTNNS-SECBINFHSA-N 2 1 194.282 0.201 20 0 ACADMP Cn1cncc1C[N@@H+]1CC[C@@H](C[NH3+])C1 85170770 486865305 /nfs/dbraw/zinc/86/53/05/486865305.db2.gz UZAOMLRQUKTNNS-VIFPVBQESA-N 2 1 194.282 0.201 20 0 ACADMP Cn1cncc1C[N@H+]1CC[C@@H](C[NH3+])C1 85170770 486865312 /nfs/dbraw/zinc/86/53/12/486865312.db2.gz UZAOMLRQUKTNNS-VIFPVBQESA-N 2 1 194.282 0.201 20 0 ACADMP Cc1cc(NC2C[NH2+]C2)nc(C)[nH+]1 85256699 486865661 /nfs/dbraw/zinc/86/56/61/486865661.db2.gz RMESCEMQXDLDIB-UHFFFAOYSA-N 2 1 178.239 0.477 20 0 ACADMP COCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282100 486867766 /nfs/dbraw/zinc/86/77/66/486867766.db2.gz DHLSRUYHCLXTQM-GARJFASQSA-N 2 1 198.310 0.563 20 0 ACADMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85281999 486867846 /nfs/dbraw/zinc/86/78/46/486867846.db2.gz UVKONFGUXGYPFV-LPEHRKFASA-N 2 1 168.284 0.936 20 0 ACADMP COCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282101 486868131 /nfs/dbraw/zinc/86/81/31/486868131.db2.gz DHLSRUYHCLXTQM-MXWKQRLJSA-N 2 1 198.310 0.563 20 0 ACADMP CC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85281998 486868302 /nfs/dbraw/zinc/86/83/02/486868302.db2.gz UVKONFGUXGYPFV-BBBLOLIVSA-N 2 1 168.284 0.936 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H](C)[NH3+])C[C@@H]1C 86009212 486870927 /nfs/dbraw/zinc/87/09/27/486870927.db2.gz YESPPRWBLULMKT-HRDYMLBCSA-N 2 1 156.273 0.921 20 0 ACADMP CN(CCC[NH3+])C[C@@H]1CCC[N@H+]1C 86187857 486874131 /nfs/dbraw/zinc/87/41/31/486874131.db2.gz NOXDXRXLSPIHFL-JTQLQIEISA-N 2 1 185.315 0.361 20 0 ACADMP C[NH2+]CCCN(C)C[C@@H]1CCC[N@H+]1C 86188318 486874297 /nfs/dbraw/zinc/87/42/97/486874297.db2.gz YBDCNQOSCIYBBC-NSHDSACASA-N 2 1 199.342 0.622 20 0 ACADMP CN(CCC[NH3+])C[C@H]1CCC[N@H+]1C 86187855 486874394 /nfs/dbraw/zinc/87/43/94/486874394.db2.gz NOXDXRXLSPIHFL-SNVBAGLBSA-N 2 1 185.315 0.361 20 0 ACADMP CN(C[C@H]1CCC[N@H+]1C)CC(C)(C)[NH3+] 86189497 486874509 /nfs/dbraw/zinc/87/45/09/486874509.db2.gz KOWLLSXKGDJGEC-SNVBAGLBSA-N 2 1 199.342 0.750 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+]1C 86188403 486874582 /nfs/dbraw/zinc/87/45/82/486874582.db2.gz KGMYUQGIEZMDGO-UWVGGRQHSA-N 2 1 185.315 0.360 20 0 ACADMP C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[N@H+]1C 86188405 486874629 /nfs/dbraw/zinc/87/46/29/486874629.db2.gz KGMYUQGIEZMDGO-ZJUUUORDSA-N 2 1 185.315 0.360 20 0 ACADMP C[NH2+]CCCN(C)C[C@H]1CCC[N@H+]1C 86188319 486874643 /nfs/dbraw/zinc/87/46/43/486874643.db2.gz YBDCNQOSCIYBBC-LLVKDONJSA-N 2 1 199.342 0.622 20 0 ACADMP CN(C[C@@H]1CCC[N@H+]1C)CC(C)(C)[NH3+] 86189495 486874845 /nfs/dbraw/zinc/87/48/45/486874845.db2.gz KOWLLSXKGDJGEC-JTQLQIEISA-N 2 1 199.342 0.750 20 0 ACADMP C[N@@H+](CCC[NH3+])CC(C)(C)O 86273552 486877577 /nfs/dbraw/zinc/87/75/77/486877577.db2.gz YUXBWJYGMMQADZ-UHFFFAOYSA-N 2 1 160.261 0.038 20 0 ACADMP C[N@@H+](CC(C)(C)O)CC(C)(C)C[NH3+] 86274974 486877626 /nfs/dbraw/zinc/87/76/26/486877626.db2.gz TYOHLAVDLKOULB-UHFFFAOYSA-N 2 1 188.315 0.674 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC(C)(C)O 86274724 486877779 /nfs/dbraw/zinc/87/77/79/486877779.db2.gz AOIVDCULUDUTLH-UHFFFAOYSA-N 2 1 174.288 0.299 20 0 ACADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc[nH]n2)C1 86403527 486878624 /nfs/dbraw/zinc/87/86/24/486878624.db2.gz JQEFEYDFDVIPCH-IUCAKERBSA-N 2 1 194.282 0.769 20 0 ACADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N(C)C 86403405 486878717 /nfs/dbraw/zinc/87/87/17/486878717.db2.gz KLVVVYWJWUWQSH-OUAUKWLOSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N(C)C 86403409 486878851 /nfs/dbraw/zinc/87/88/51/486878851.db2.gz KLVVVYWJWUWQSH-VWYCJHECSA-N 2 1 199.342 0.796 20 0 ACADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc[nH]n2)C1 86403529 486878868 /nfs/dbraw/zinc/87/88/68/486878868.db2.gz JQEFEYDFDVIPCH-RKDXNWHRSA-N 2 1 194.282 0.769 20 0 ACADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc[nH]n2)C1 86403531 486878872 /nfs/dbraw/zinc/87/88/72/486878872.db2.gz JQEFEYDFDVIPCH-BDAKNGLRSA-N 2 1 194.282 0.769 20 0 ACADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 86402103 486878922 /nfs/dbraw/zinc/87/89/22/486878922.db2.gz AOXZPHRZQSSICU-GHMZBOCLSA-N 3 1 199.342 0.798 20 0 ACADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 86402105 486878985 /nfs/dbraw/zinc/87/89/85/486878985.db2.gz AOXZPHRZQSSICU-MNOVXSKESA-N 3 1 199.342 0.798 20 0 ACADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 86402099 486879059 /nfs/dbraw/zinc/87/90/59/486879059.db2.gz AOXZPHRZQSSICU-WDEREUQCSA-N 3 1 199.342 0.798 20 0 ACADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 86402101 486879177 /nfs/dbraw/zinc/87/91/77/486879177.db2.gz AOXZPHRZQSSICU-QWRGUYRKSA-N 3 1 199.342 0.798 20 0 ACADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc[nH]n2)C1 86403525 486879209 /nfs/dbraw/zinc/87/92/09/486879209.db2.gz JQEFEYDFDVIPCH-DTWKUNHWSA-N 2 1 194.282 0.769 20 0 ACADMP C[C@H]1CCC[N@H+]1CCOCC[NH3+] 86435431 486879943 /nfs/dbraw/zinc/87/99/43/486879943.db2.gz TUIFQQQUSYXZHK-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@@H]1CCC[N@H+]1CCOCC[NH3+] 86435432 486879881 /nfs/dbraw/zinc/87/98/81/486879881.db2.gz BOHRBBSPZMFGBN-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@@H+](CCOCC[NH3+])CC(C)C 86435380 486879934 /nfs/dbraw/zinc/87/99/34/486879934.db2.gz DAZUJFPTQWJYNI-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP C[N@@H+](CCOCC[NH3+])C1CCCC1 86435372 486879998 /nfs/dbraw/zinc/87/99/98/486879998.db2.gz NHASAXMQRWUFOW-UHFFFAOYSA-N 2 1 186.299 0.836 20 0 ACADMP CC(C)C[N@@H+](C)CCOCC[NH3+] 86435377 486880008 /nfs/dbraw/zinc/88/00/08/486880008.db2.gz PIYHYNNIUJVQGC-UHFFFAOYSA-N 2 1 174.288 0.550 20 0 ACADMP C[N@@H+](CCOCC[NH3+])CC1CCC1 86435698 486880067 /nfs/dbraw/zinc/88/00/67/486880067.db2.gz UBTODUUPDRQDAZ-UHFFFAOYSA-N 2 1 186.299 0.694 20 0 ACADMP CC(C)[N@@H+](C)CCOCC[NH3+] 86435350 486880078 /nfs/dbraw/zinc/88/00/78/486880078.db2.gz OXEGVUVRJGMLTE-UHFFFAOYSA-N 2 1 160.261 0.302 20 0 ACADMP CC(C)[C@@H](C)[N@@H+](C)CCOCC[NH3+] 86435405 486880148 /nfs/dbraw/zinc/88/01/48/486880148.db2.gz XSUMEPQBEKPHHG-SNVBAGLBSA-N 2 1 188.315 0.938 20 0 ACADMP CC(C)CC[N@@H+](C)CCOCC[NH3+] 86435481 486880172 /nfs/dbraw/zinc/88/01/72/486880172.db2.gz WRINOEAIBDKJDF-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])C1 86435459 486880195 /nfs/dbraw/zinc/88/01/95/486880195.db2.gz JPHQUHHBLNPFNR-VIFPVBQESA-N 2 1 172.272 0.304 20 0 ACADMP CCC[N@@H+](CC)CCOCC[NH3+] 86435373 486880253 /nfs/dbraw/zinc/88/02/53/486880253.db2.gz OXKJHNOLGGNBOC-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP CC(C)[C@H](C)[N@@H+](C)CCOCC[NH3+] 86435406 486880316 /nfs/dbraw/zinc/88/03/16/486880316.db2.gz XSUMEPQBEKPHHG-JTQLQIEISA-N 2 1 188.315 0.938 20 0 ACADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 86435458 486880324 /nfs/dbraw/zinc/88/03/24/486880324.db2.gz JPHQUHHBLNPFNR-SECBINFHSA-N 2 1 172.272 0.304 20 0 ACADMP CC[C@H](C)C[N@@H+](C)CCOCC[NH3+] 86435385 486880343 /nfs/dbraw/zinc/88/03/43/486880343.db2.gz DOPVCJXTLFWFPS-JTQLQIEISA-N 2 1 188.315 0.940 20 0 ACADMP CC[N@@H+](CCOCC[NH3+])C1CC1 86435369 486880356 /nfs/dbraw/zinc/88/03/56/486880356.db2.gz YAYFUGJGJGDMOQ-UHFFFAOYSA-N 2 1 172.272 0.446 20 0 ACADMP CCC[N@@H+](CCOCC[NH3+])C1CC1 86435375 486880383 /nfs/dbraw/zinc/88/03/83/486880383.db2.gz UUEKQAJELAZTRA-UHFFFAOYSA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@H]1CCC[N@H+]1CCOCC[NH3+] 86435433 486880455 /nfs/dbraw/zinc/88/04/55/486880455.db2.gz BOHRBBSPZMFGBN-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@@H](C)C[N@@H+](C)CCOCC[NH3+] 86435384 486880533 /nfs/dbraw/zinc/88/05/33/486880533.db2.gz DOPVCJXTLFWFPS-SNVBAGLBSA-N 2 1 188.315 0.940 20 0 ACADMP C[C@@H]1CCC[N@H+]1CCOCC[NH3+] 86435430 486880510 /nfs/dbraw/zinc/88/05/10/486880510.db2.gz TUIFQQQUSYXZHK-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@H](C)[N@@H+](C)CCOCC[NH3+] 86435379 486880527 /nfs/dbraw/zinc/88/05/27/486880527.db2.gz IVMGIBHUYFRESE-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP C[N@@H+](CCOCC[NH3+])CC(C)(C)C 86435601 486880564 /nfs/dbraw/zinc/88/05/64/486880564.db2.gz XAQHZOGOKCVQGR-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP CCC[N@@H+](C)CCOCC[NH3+] 86435376 486880642 /nfs/dbraw/zinc/88/06/42/486880642.db2.gz SSYGTYKHYWLKFZ-UHFFFAOYSA-N 2 1 160.261 0.304 20 0 ACADMP C[N@@H+](CCOCC[NH3+])CC1CC1 86435434 486880771 /nfs/dbraw/zinc/88/07/71/486880771.db2.gz URZUYURXMCTAAO-UHFFFAOYSA-N 2 1 172.272 0.304 20 0 ACADMP CC[C@@H](C)[N@@H+](C)CCOCC[NH3+] 86435378 486880806 /nfs/dbraw/zinc/88/08/06/486880806.db2.gz IVMGIBHUYFRESE-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCOCC[NH3+] 86435803 486881146 /nfs/dbraw/zinc/88/11/46/486881146.db2.gz SEQMBQRVYNFZJW-ZJUUUORDSA-N 2 1 186.299 0.550 20 0 ACADMP CC[N@@H+](CCOCC[NH3+])CC1CC1 86435807 486881530 /nfs/dbraw/zinc/88/15/30/486881530.db2.gz GAOXVKZHMYPPEE-UHFFFAOYSA-N 2 1 186.299 0.694 20 0 ACADMP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H]1C 86435920 486881638 /nfs/dbraw/zinc/88/16/38/486881638.db2.gz FKHFEBNZUODUCQ-AOOOYVTPSA-N 2 1 186.299 0.550 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCOCC[NH3+] 86435802 486881681 /nfs/dbraw/zinc/88/16/81/486881681.db2.gz SEQMBQRVYNFZJW-VHSXEESVSA-N 2 1 186.299 0.550 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+](C)CCOCC[NH3+] 86435806 486881816 /nfs/dbraw/zinc/88/18/16/486881816.db2.gz SEQMBQRVYNFZJW-UWVGGRQHSA-N 2 1 186.299 0.550 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCOCC[NH3+] 86435800 486882190 /nfs/dbraw/zinc/88/21/90/486882190.db2.gz SEQMBQRVYNFZJW-NXEZZACHSA-N 2 1 186.299 0.550 20 0 ACADMP CC(C)[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 86655108 486882991 /nfs/dbraw/zinc/88/29/91/486882991.db2.gz QDOXNPBLBVLFMF-BDAKNGLRSA-N 2 1 172.272 0.443 20 0 ACADMP CC(C)[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 86655108 486882995 /nfs/dbraw/zinc/88/29/95/486882995.db2.gz QDOXNPBLBVLFMF-BDAKNGLRSA-N 2 1 172.272 0.443 20 0 ACADMP CCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 86654656 486883014 /nfs/dbraw/zinc/88/30/14/486883014.db2.gz GIEHRYDZWPUUBK-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP CCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 86654656 486883015 /nfs/dbraw/zinc/88/30/15/486883015.db2.gz GIEHRYDZWPUUBK-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H](O)C[N@@H+](C)CC1CC[NH2+]CC1 86702912 486883083 /nfs/dbraw/zinc/88/30/83/486883083.db2.gz GAOZJSOHOCYWJE-VIFPVBQESA-N 2 1 186.299 0.299 20 0 ACADMP CC(C)[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 86655109 486883119 /nfs/dbraw/zinc/88/31/19/486883119.db2.gz QDOXNPBLBVLFMF-RKDXNWHRSA-N 2 1 172.272 0.443 20 0 ACADMP CC(C)[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 86655109 486883124 /nfs/dbraw/zinc/88/31/24/486883124.db2.gz QDOXNPBLBVLFMF-RKDXNWHRSA-N 2 1 172.272 0.443 20 0 ACADMP C[C@@H](O)C[N@@H+](C)CC1CC[NH2+]CC1 86702914 486883278 /nfs/dbraw/zinc/88/32/78/486883278.db2.gz GAOZJSOHOCYWJE-SECBINFHSA-N 2 1 186.299 0.299 20 0 ACADMP CCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 86654655 486883436 /nfs/dbraw/zinc/88/34/36/486883436.db2.gz GIEHRYDZWPUUBK-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP CCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 86654655 486883443 /nfs/dbraw/zinc/88/34/43/486883443.db2.gz GIEHRYDZWPUUBK-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP OC1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 86724766 486884003 /nfs/dbraw/zinc/88/40/03/486884003.db2.gz LEINZGWYCWGTLZ-HWOCKDDLSA-N 2 1 184.283 0.241 20 0 ACADMP CC(C)OCCC[NH2+][C@@H]1CC[NH2+]C1 86725725 486884120 /nfs/dbraw/zinc/88/41/20/486884120.db2.gz SXUIYCGGOLRLPG-SNVBAGLBSA-N 2 1 186.299 0.753 20 0 ACADMP CC(C)OCCC[NH2+][C@H]1CC[NH2+]C1 86725728 486884218 /nfs/dbraw/zinc/88/42/18/486884218.db2.gz SXUIYCGGOLRLPG-JTQLQIEISA-N 2 1 186.299 0.753 20 0 ACADMP OCC[N@@H+](CC1CC[NH2+]CC1)C1CC1 86703721 486884247 /nfs/dbraw/zinc/88/42/47/486884247.db2.gz IZXTUFOKYWUVBE-UHFFFAOYSA-N 2 1 198.310 0.443 20 0 ACADMP OC1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 86724768 486884988 /nfs/dbraw/zinc/88/49/88/486884988.db2.gz LEINZGWYCWGTLZ-KYHHOPLUSA-N 2 1 184.283 0.241 20 0 ACADMP [NH3+]C1CCC(N[C@@H]2CC[NH2+]C2)CC1 86729741 486885855 /nfs/dbraw/zinc/88/58/55/486885855.db2.gz XMYUYXBUPRDBEX-UDNWOFFPSA-N 2 1 183.299 0.208 20 0 ACADMP [NH3+]C1CCC(N[C@H]2CC[NH2+]C2)CC1 86729742 486886208 /nfs/dbraw/zinc/88/62/08/486886208.db2.gz XMYUYXBUPRDBEX-RTBKNWGFSA-N 2 1 183.299 0.208 20 0 ACADMP C1C[C@@H]([NH2+]CCC2CC2)C[NH2+]1 86730737 486886693 /nfs/dbraw/zinc/88/66/93/486886693.db2.gz AGRXDNCBBJBSAU-SECBINFHSA-N 2 1 154.257 0.738 20 0 ACADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)C 86730593 486886711 /nfs/dbraw/zinc/88/67/11/486886711.db2.gz HNJCMKMOTRQHQG-UWVGGRQHSA-N 2 1 186.299 0.609 20 0 ACADMP C1C[C@H]([NH2+]CCC2CC2)C[NH2+]1 86730739 486886773 /nfs/dbraw/zinc/88/67/73/486886773.db2.gz AGRXDNCBBJBSAU-VIFPVBQESA-N 2 1 154.257 0.738 20 0 ACADMP COC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)C 86730591 486886992 /nfs/dbraw/zinc/88/69/92/486886992.db2.gz HNJCMKMOTRQHQG-VHSXEESVSA-N 2 1 186.299 0.609 20 0 ACADMP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)C 86730585 486887438 /nfs/dbraw/zinc/88/74/38/486887438.db2.gz HNJCMKMOTRQHQG-NXEZZACHSA-N 2 1 186.299 0.609 20 0 ACADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)C 86730590 486887581 /nfs/dbraw/zinc/88/75/81/486887581.db2.gz HNJCMKMOTRQHQG-ZJUUUORDSA-N 2 1 186.299 0.609 20 0 ACADMP C[N@@H+](CCC[NH3+])CCOCC1CC1 87398969 486895452 /nfs/dbraw/zinc/89/54/52/486895452.db2.gz MBMHTYOMKDYLPV-UHFFFAOYSA-N 2 1 186.299 0.694 20 0 ACADMP C[NH2+]CCC[N@H+](C)CCOC(C)C 87472615 486896166 /nfs/dbraw/zinc/89/61/66/486896166.db2.gz WOKNZKTYWMBQAK-UHFFFAOYSA-N 2 1 188.315 0.953 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCOC(C)C 87472615 486896172 /nfs/dbraw/zinc/89/61/72/486896172.db2.gz WOKNZKTYWMBQAK-UHFFFAOYSA-N 2 1 188.315 0.953 20 0 ACADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CCOC1 87472298 486896199 /nfs/dbraw/zinc/89/61/99/486896199.db2.gz AYCAIUHPUMOGAU-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CCOC1 87472297 486896363 /nfs/dbraw/zinc/89/63/63/486896363.db2.gz AYCAIUHPUMOGAU-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP CCOCC[N@H+](C)CCC[NH2+]C 87472565 486896444 /nfs/dbraw/zinc/89/64/44/486896444.db2.gz LHFUFACDQLYWIV-UHFFFAOYSA-N 2 1 174.288 0.564 20 0 ACADMP CCOCC[N@@H+](C)CCC[NH2+]C 87472565 486896450 /nfs/dbraw/zinc/89/64/50/486896450.db2.gz LHFUFACDQLYWIV-UHFFFAOYSA-N 2 1 174.288 0.564 20 0 ACADMP C[NH2+]CCC[N@@H+](C)[C@H](C)CCOC 87472396 486896637 /nfs/dbraw/zinc/89/66/37/486896637.db2.gz VMNVXENVHZMMSY-SNVBAGLBSA-N 2 1 188.315 0.953 20 0 ACADMP CCOCCC[N@@H+](C)CCC[NH2+]C 87472622 486896715 /nfs/dbraw/zinc/89/67/15/486896715.db2.gz ZTRRXMZCDIVUSQ-UHFFFAOYSA-N 2 1 188.315 0.954 20 0 ACADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)CCOC 87472395 486896847 /nfs/dbraw/zinc/89/68/47/486896847.db2.gz VMNVXENVHZMMSY-JTQLQIEISA-N 2 1 188.315 0.953 20 0 ACADMP C[NH2+]CCC[N@H+](C)CCn1cccn1 87472713 486898017 /nfs/dbraw/zinc/89/80/17/486898017.db2.gz KLHGPQQYFQWWAY-UHFFFAOYSA-N 2 1 196.298 0.424 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCn1cccn1 87472713 486898019 /nfs/dbraw/zinc/89/80/19/486898019.db2.gz KLHGPQQYFQWWAY-UHFFFAOYSA-N 2 1 196.298 0.424 20 0 ACADMP C[N@@H+](C[C@H]1CCCCO1)C1CC([NH3+])C1 87653323 486898829 /nfs/dbraw/zinc/89/88/29/486898829.db2.gz NOHZBMQSBUOUTL-VQXHTEKXSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 87647859 486899700 /nfs/dbraw/zinc/89/97/00/486899700.db2.gz AIQXMQPQQXFRPH-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP OCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 87647823 486898931 /nfs/dbraw/zinc/89/89/31/486898931.db2.gz JLRRUHYFGXSAJL-SNVBAGLBSA-N 2 1 198.310 0.443 20 0 ACADMP OCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 87647821 486899074 /nfs/dbraw/zinc/89/90/74/486899074.db2.gz JLRRUHYFGXSAJL-JTQLQIEISA-N 2 1 198.310 0.443 20 0 ACADMP COCCC[N@@H+](C)C1CC([NH3+])C1 87653512 486899220 /nfs/dbraw/zinc/89/92/20/486899220.db2.gz RUCHLUHAWLKJSW-UHFFFAOYSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 87647861 486899387 /nfs/dbraw/zinc/89/93/87/486899387.db2.gz AIQXMQPQQXFRPH-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC([NH3+])C1 87653322 486899560 /nfs/dbraw/zinc/89/95/60/486899560.db2.gz NOHZBMQSBUOUTL-ILDUYXDCSA-N 2 1 198.310 0.977 20 0 ACADMP C[N@@H+](CCOCC1CC1)C1CC([NH3+])C1 87653670 486899540 /nfs/dbraw/zinc/89/95/40/486899540.db2.gz XXNQNSBWITUOFU-UHFFFAOYSA-N 2 1 198.310 0.835 20 0 ACADMP CCOCC[N@H+](C)[C@H](C[NH3+])C1CC1 87976436 486904229 /nfs/dbraw/zinc/90/42/29/486904229.db2.gz KJJJAPBWOKCKSK-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@@H+](C)[C@H](C[NH3+])C1CC1 87976436 486904232 /nfs/dbraw/zinc/90/42/32/486904232.db2.gz KJJJAPBWOKCKSK-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@H+](C)[C@@H](C[NH3+])C1CC1 87976434 486904451 /nfs/dbraw/zinc/90/44/51/486904451.db2.gz KJJJAPBWOKCKSK-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 87976434 486904457 /nfs/dbraw/zinc/90/44/57/486904457.db2.gz KJJJAPBWOKCKSK-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@@H+](C)C1CC([NH3+])C1 87980226 486904645 /nfs/dbraw/zinc/90/46/45/486904645.db2.gz WKGIXHSHZBAEEX-UHFFFAOYSA-N 2 1 172.272 0.444 20 0 ACADMP CC(C)OCC[N@@H+](C)C1CC([NH3+])C1 87980227 486904761 /nfs/dbraw/zinc/90/47/61/486904761.db2.gz ZMZNPMDRWNKXCF-UHFFFAOYSA-N 2 1 186.299 0.833 20 0 ACADMP C[N@@H+](CCC[NH3+])CCCF 88024200 486906611 /nfs/dbraw/zinc/90/66/11/486906611.db2.gz KODZZPHBGCGAPA-UHFFFAOYSA-N 2 1 148.225 0.627 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCF)C1 88026348 486906790 /nfs/dbraw/zinc/90/67/90/486906790.db2.gz ZBCNCLOLFUTSPF-VIFPVBQESA-N 2 1 174.263 0.887 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](CCCF)C1 88026349 486907042 /nfs/dbraw/zinc/90/70/42/486907042.db2.gz ZBCNCLOLFUTSPF-SECBINFHSA-N 2 1 174.263 0.887 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CCCF)C1 88026332 486907215 /nfs/dbraw/zinc/90/72/15/486907215.db2.gz SRHRAYHKIJWERB-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CCCF)C1 88026331 486907269 /nfs/dbraw/zinc/90/72/69/486907269.db2.gz SRHRAYHKIJWERB-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCCF 88026457 486907297 /nfs/dbraw/zinc/90/72/97/486907297.db2.gz JMCRYZIPNYITNR-UHFFFAOYSA-N 2 1 162.252 0.887 20 0 ACADMP COCC[N@H+](C)CCn1cc[nH+]c1C 677980973 486910216 /nfs/dbraw/zinc/91/02/16/486910216.db2.gz PORPTLWNKROLKZ-UHFFFAOYSA-N 2 1 197.282 0.770 20 0 ACADMP COCC[N@@H+](C)CCn1cc[nH+]c1C 677980973 486910220 /nfs/dbraw/zinc/91/02/20/486910220.db2.gz PORPTLWNKROLKZ-UHFFFAOYSA-N 2 1 197.282 0.770 20 0 ACADMP CC[C@@H]1C[N@@H+](CCOC)CC[C@@H]1[NH3+] 89065033 486910590 /nfs/dbraw/zinc/91/05/90/486910590.db2.gz IIBGOOAQKKAXLQ-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@H]1C[N@@H+](CCOC)CC[C@@H]1[NH3+] 89065034 486911323 /nfs/dbraw/zinc/91/13/23/486911323.db2.gz IIBGOOAQKKAXLQ-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]CC(C)C 88369807 486911366 /nfs/dbraw/zinc/91/13/66/486911366.db2.gz ZGDHMGKDEVKRFA-QMMMGPOBSA-N 2 1 144.262 0.840 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CC[N@@H+]1C 95015737 486913034 /nfs/dbraw/zinc/91/30/34/486913034.db2.gz FLLXUFRHMZTOFO-OUAUKWLOSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)CC[N@H+]1C 95015737 486913040 /nfs/dbraw/zinc/91/30/40/486913040.db2.gz FLLXUFRHMZTOFO-OUAUKWLOSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CC[N@@H+]1C 95015735 486913301 /nfs/dbraw/zinc/91/33/01/486913301.db2.gz FLLXUFRHMZTOFO-GMTAPVOTSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)CC[N@H+]1C 95015735 486913305 /nfs/dbraw/zinc/91/33/05/486913305.db2.gz FLLXUFRHMZTOFO-GMTAPVOTSA-N 2 1 198.310 0.848 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@H+](C)CCO 678073839 486916096 /nfs/dbraw/zinc/91/60/96/486916096.db2.gz JIAFUJJKRUFIER-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@@H+](C)CCO 678073839 486916099 /nfs/dbraw/zinc/91/60/99/486916099.db2.gz JIAFUJJKRUFIER-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+](CCO)CC[C@@H]1CCC[N@@H+]1C 678073839 486916101 /nfs/dbraw/zinc/91/61/01/486916101.db2.gz JIAFUJJKRUFIER-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+](CCO)CC[C@@H]1CCC[N@H+]1C 678073839 486916104 /nfs/dbraw/zinc/91/61/04/486916104.db2.gz JIAFUJJKRUFIER-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@H+](C)CCO 678073840 486916412 /nfs/dbraw/zinc/91/64/12/486916412.db2.gz JIAFUJJKRUFIER-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@@H+](C)CCO 678073840 486916417 /nfs/dbraw/zinc/91/64/17/486916417.db2.gz JIAFUJJKRUFIER-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+](CCO)CC[C@H]1CCC[N@@H+]1C 678073840 486916423 /nfs/dbraw/zinc/91/64/23/486916423.db2.gz JIAFUJJKRUFIER-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+](CCO)CC[C@H]1CCC[N@H+]1C 678073840 486916427 /nfs/dbraw/zinc/91/64/27/486916427.db2.gz JIAFUJJKRUFIER-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP O[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 107130522 486920401 /nfs/dbraw/zinc/92/04/01/486920401.db2.gz GFICCDGVQPQSQQ-NXEZZACHSA-N 2 1 184.283 0.053 20 0 ACADMP O[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 107130519 486920591 /nfs/dbraw/zinc/92/05/91/486920591.db2.gz GFICCDGVQPQSQQ-ZJUUUORDSA-N 2 1 184.283 0.053 20 0 ACADMP O[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 108310176 486922467 /nfs/dbraw/zinc/92/24/67/486922467.db2.gz WVLPXIQYZAWOGM-WDEREUQCSA-N 2 1 198.310 0.443 20 0 ACADMP O[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 108310173 486922786 /nfs/dbraw/zinc/92/27/86/486922786.db2.gz WVLPXIQYZAWOGM-QWRGUYRKSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H](CCO)[NH2+]C1CC[NH+](C)CC1 122269171 486931494 /nfs/dbraw/zinc/93/14/94/486931494.db2.gz JHCLEDASJWGSFI-SECBINFHSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@@H](CCO)[NH2+]C1CC[NH+](C)CC1 122268918 486931780 /nfs/dbraw/zinc/93/17/80/486931780.db2.gz JHCLEDASJWGSFI-VIFPVBQESA-N 2 1 186.299 0.441 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C 122354689 486932141 /nfs/dbraw/zinc/93/21/41/486932141.db2.gz QZZZXLSIAMCPCM-UTLUCORTSA-N 2 1 186.299 0.690 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122354550 486932204 /nfs/dbraw/zinc/93/22/04/486932204.db2.gz QZZZXLSIAMCPCM-LPEHRKFASA-N 2 1 186.299 0.690 20 0 ACADMP COCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122343727 486932391 /nfs/dbraw/zinc/93/23/91/486932391.db2.gz VRZFWQBPULPAMB-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CCOC1 122350879 486932557 /nfs/dbraw/zinc/93/25/57/486932557.db2.gz RETOOCKQRBYLHL-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP COCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 122343525 486932682 /nfs/dbraw/zinc/93/26/82/486932682.db2.gz VRZFWQBPULPAMB-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCOC1 122350437 486932732 /nfs/dbraw/zinc/93/27/32/486932732.db2.gz RETOOCKQRBYLHL-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122354896 486932790 /nfs/dbraw/zinc/93/27/90/486932790.db2.gz QZZZXLSIAMCPCM-GUBZILKMSA-N 2 1 186.299 0.690 20 0 ACADMP COCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122343334 486932802 /nfs/dbraw/zinc/93/28/02/486932802.db2.gz VRZFWQBPULPAMB-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 122354407 486932849 /nfs/dbraw/zinc/93/28/49/486932849.db2.gz QZZZXLSIAMCPCM-KXUCPTDWSA-N 2 1 186.299 0.690 20 0 ACADMP COCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 122343097 486932946 /nfs/dbraw/zinc/93/29/46/486932946.db2.gz VRZFWQBPULPAMB-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[N@@H+](CCNCCC[NH3+])C1CCCC1 135303115 486942634 /nfs/dbraw/zinc/94/26/34/486942634.db2.gz TWPMDVZEYKSDOP-UHFFFAOYSA-N 2 1 199.342 0.799 20 0 ACADMP CC[C@H]1C[N@@H+](CCC[NH3+])CCCO1 145449471 486951163 /nfs/dbraw/zinc/95/11/63/486951163.db2.gz PNQWGLXRIQSBFJ-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@@H]1C[N@@H+](CCC[NH3+])CCCO1 145449274 486951411 /nfs/dbraw/zinc/95/14/11/486951411.db2.gz PNQWGLXRIQSBFJ-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@@H+](C)CCCN1CC[NH+](C)CC1 679318949 486957383 /nfs/dbraw/zinc/95/73/83/486957383.db2.gz NRZDPTFEPZIEEJ-UHFFFAOYSA-N 2 1 199.342 0.576 20 0 ACADMP C[C@H]1C[C@@H](C)[N@@H+](CCOCC[NH3+])C1 157971880 486967740 /nfs/dbraw/zinc/96/77/40/486967740.db2.gz DKRFAGWDFUWLHH-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 149494944 486961233 /nfs/dbraw/zinc/96/12/33/486961233.db2.gz LLKLBBQKZXAXOV-NXEZZACHSA-N 2 1 186.299 0.690 20 0 ACADMP CC(C)C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 149494944 486961237 /nfs/dbraw/zinc/96/12/37/486961237.db2.gz LLKLBBQKZXAXOV-NXEZZACHSA-N 2 1 186.299 0.690 20 0 ACADMP CC(C)C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 149494755 486961479 /nfs/dbraw/zinc/96/14/79/486961479.db2.gz LLKLBBQKZXAXOV-ZJUUUORDSA-N 2 1 186.299 0.690 20 0 ACADMP CC(C)C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 149494755 486961481 /nfs/dbraw/zinc/96/14/81/486961481.db2.gz LLKLBBQKZXAXOV-ZJUUUORDSA-N 2 1 186.299 0.690 20 0 ACADMP COC[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 156544253 486962193 /nfs/dbraw/zinc/96/21/93/486962193.db2.gz KWCGUELDMMUMLR-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 156544073 486962363 /nfs/dbraw/zinc/96/23/63/486962363.db2.gz KWCGUELDMMUMLR-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 156914524 486963306 /nfs/dbraw/zinc/96/33/06/486963306.db2.gz GMWMETHNJLHTKU-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 156914374 486963384 /nfs/dbraw/zinc/96/33/84/486963384.db2.gz GMWMETHNJLHTKU-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 156914809 486963491 /nfs/dbraw/zinc/96/34/91/486963491.db2.gz GMWMETHNJLHTKU-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 156914669 486963525 /nfs/dbraw/zinc/96/35/25/486963525.db2.gz GMWMETHNJLHTKU-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H]1C[C@@H](C)C[N@@H+]1CCOCC[NH3+] 157971440 486967533 /nfs/dbraw/zinc/96/75/33/486967533.db2.gz DKRFAGWDFUWLHH-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]1C[C@H](C)[N@@H+](CCOCC[NH3+])C1 157971582 486967561 /nfs/dbraw/zinc/96/75/61/486967561.db2.gz DKRFAGWDFUWLHH-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1C[C@@H](C)[N@@H+](CCOCC[NH3+])C1 157971728 486967608 /nfs/dbraw/zinc/96/76/08/486967608.db2.gz DKRFAGWDFUWLHH-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCCC[N@H+](C)[C@@H](C)C[NH3+] 158522422 486970454 /nfs/dbraw/zinc/97/04/54/486970454.db2.gz RIJXXDSGAFEBEK-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP CCOCCC[N@@H+](C)[C@@H](C)C[NH3+] 158522422 486970456 /nfs/dbraw/zinc/97/04/56/486970456.db2.gz RIJXXDSGAFEBEK-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP CCOCCC[N@H+](C)[C@H](C)C[NH3+] 158522570 486970425 /nfs/dbraw/zinc/97/04/25/486970425.db2.gz RIJXXDSGAFEBEK-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP CCOCCC[N@@H+](C)[C@H](C)C[NH3+] 158522570 486970430 /nfs/dbraw/zinc/97/04/30/486970430.db2.gz RIJXXDSGAFEBEK-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP COCCCC[N@@H+](C)CCC[NH3+] 158523607 486970669 /nfs/dbraw/zinc/97/06/69/486970669.db2.gz XRRDEHOMFDTCBT-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP COCCCC[N@@H+]1CCC[C@@H]1C[NH3+] 158523929 486970730 /nfs/dbraw/zinc/97/07/30/486970730.db2.gz QYYXJWJMPVYNPP-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP COCCCC[N@H+]1CCC[C@@H]1C[NH3+] 158523929 486970732 /nfs/dbraw/zinc/97/07/32/486970732.db2.gz QYYXJWJMPVYNPP-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP COCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 158552274 486970956 /nfs/dbraw/zinc/97/09/56/486970956.db2.gz RTTDUZWORVRSPU-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 158552274 486970958 /nfs/dbraw/zinc/97/09/58/486970958.db2.gz RTTDUZWORVRSPU-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 158552128 486970981 /nfs/dbraw/zinc/97/09/81/486970981.db2.gz RTTDUZWORVRSPU-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 158552128 486970984 /nfs/dbraw/zinc/97/09/84/486970984.db2.gz RTTDUZWORVRSPU-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP C[NH2+]CC[NH2+]C[C@H]1C[C@H]1C 161265660 486979992 /nfs/dbraw/zinc/97/99/92/486979992.db2.gz UKCJOKSQOISSSB-HTQZYQBOSA-N 2 1 142.246 0.451 20 0 ACADMP COCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 160612242 486975972 /nfs/dbraw/zinc/97/59/72/486975972.db2.gz BAHZSZRDJHOSDX-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 159505663 486973196 /nfs/dbraw/zinc/97/31/96/486973196.db2.gz OGAAKJBXXPOSIA-GARJFASQSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 159505942 486973718 /nfs/dbraw/zinc/97/37/18/486973718.db2.gz OGAAKJBXXPOSIA-DCAQKATOSA-N 2 1 198.310 0.692 20 0 ACADMP OC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 159490401 486973915 /nfs/dbraw/zinc/97/39/15/486973915.db2.gz XMQWPICMELSRLH-MNOVXSKESA-N 2 1 198.310 0.300 20 0 ACADMP COCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 160612374 486975942 /nfs/dbraw/zinc/97/59/42/486975942.db2.gz BAHZSZRDJHOSDX-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 160612528 486976094 /nfs/dbraw/zinc/97/60/94/486976094.db2.gz BAHZSZRDJHOSDX-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP COCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 160612113 486976319 /nfs/dbraw/zinc/97/63/19/486976319.db2.gz BAHZSZRDJHOSDX-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[NH2+]CC[NH2+]C[C@@H]1C[C@H]1C 161265909 486979662 /nfs/dbraw/zinc/97/96/62/486979662.db2.gz UKCJOKSQOISSSB-SFYZADRCSA-N 2 1 142.246 0.451 20 0 ACADMP C[NH2+]CC[NH2+]C[C@H]1C[C@@H]1C 161265791 486979784 /nfs/dbraw/zinc/97/97/84/486979784.db2.gz UKCJOKSQOISSSB-JGVFFNPUSA-N 2 1 142.246 0.451 20 0 ACADMP C[NH2+]CC[NH2+]C[C@@H]1C[C@@H]1C 161266043 486980006 /nfs/dbraw/zinc/98/00/06/486980006.db2.gz UKCJOKSQOISSSB-YUMQZZPRSA-N 2 1 142.246 0.451 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]CC1CC1 162092297 486980794 /nfs/dbraw/zinc/98/07/94/486980794.db2.gz FISVHEQEKQSUAP-SSDOTTSWSA-N 2 1 142.246 0.594 20 0 ACADMP C[C@H](C[NH3+])[NH2+]CC(C)(C)C 162042225 486980922 /nfs/dbraw/zinc/98/09/22/486980922.db2.gz WPJHEOWRNLDBRO-SSDOTTSWSA-N 2 1 144.262 0.969 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]CC1CC1 162092177 486981389 /nfs/dbraw/zinc/98/13/89/486981389.db2.gz FISVHEQEKQSUAP-ZETCQYMHSA-N 2 1 142.246 0.594 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C[C@H]1C[C@H]1C 162152551 486982205 /nfs/dbraw/zinc/98/22/05/486982205.db2.gz LVTCVQQPCNRVHY-HRDYMLBCSA-N 2 1 156.273 0.840 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 162152793 486982349 /nfs/dbraw/zinc/98/23/49/486982349.db2.gz LVTCVQQPCNRVHY-VGMNWLOBSA-N 2 1 156.273 0.840 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 162152668 486982733 /nfs/dbraw/zinc/98/27/33/486982733.db2.gz LVTCVQQPCNRVHY-XHNCKOQMSA-N 2 1 156.273 0.840 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 162152925 486983027 /nfs/dbraw/zinc/98/30/27/486983027.db2.gz LVTCVQQPCNRVHY-CIUDSAMLSA-N 2 1 156.273 0.840 20 0 ACADMP C[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 162632485 486983742 /nfs/dbraw/zinc/98/37/42/486983742.db2.gz JXPYPILBOQONIS-AXFHLTTASA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H](C)O1 162632485 486983747 /nfs/dbraw/zinc/98/37/47/486983747.db2.gz JXPYPILBOQONIS-AXFHLTTASA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC[C@@H](C)O 164079345 486987749 /nfs/dbraw/zinc/98/77/49/486987749.db2.gz ONATUOJWQPMZPU-SECBINFHSA-N 2 1 174.288 0.299 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC[C@H](C)O 164079230 486987714 /nfs/dbraw/zinc/98/77/14/486987714.db2.gz ONATUOJWQPMZPU-VIFPVBQESA-N 2 1 174.288 0.299 20 0 ACADMP CC[C@H]1CC[N@@H+](CCOCC[NH3+])C1 166354226 486994914 /nfs/dbraw/zinc/99/49/14/486994914.db2.gz GAZWPDMGGMKGSC-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP CC[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 166354087 486995592 /nfs/dbraw/zinc/99/55/92/486995592.db2.gz GAZWPDMGGMKGSC-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 166829810 486996060 /nfs/dbraw/zinc/99/60/60/486996060.db2.gz LQNONGBGLDCVFX-OPRDCNLKSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 166830169 486996298 /nfs/dbraw/zinc/99/62/98/486996298.db2.gz LQNONGBGLDCVFX-LPEHRKFASA-N 2 1 168.284 0.984 20 0 ACADMP C[C@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+]C1 166829937 486996651 /nfs/dbraw/zinc/99/66/51/486996651.db2.gz LQNONGBGLDCVFX-IVZWLZJFSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 166830060 486996678 /nfs/dbraw/zinc/99/66/78/486996678.db2.gz LQNONGBGLDCVFX-KXUCPTDWSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 167070547 486998246 /nfs/dbraw/zinc/99/82/46/486998246.db2.gz HINFBZZOUFHPKR-BBBLOLIVSA-N 2 1 168.284 0.923 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C[NH3+])C1 167070356 486998361 /nfs/dbraw/zinc/99/83/61/486998361.db2.gz HINFBZZOUFHPKR-OPRDCNLKSA-N 2 1 168.284 0.923 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C1CC1 167474035 487000479 /nfs/dbraw/zinc/00/04/79/487000479.db2.gz NFNHQZQFZDOKHO-JEZHCXPESA-N 2 1 168.284 0.969 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])C1CC1 167473816 487000703 /nfs/dbraw/zinc/00/07/03/487000703.db2.gz NFNHQZQFZDOKHO-QNSHHTMESA-N 2 1 168.284 0.969 20 0 ACADMP OCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 212046190 487023059 /nfs/dbraw/zinc/02/30/59/487023059.db2.gz CETKATKDUWVLFN-VIFPVBQESA-N 2 1 184.283 0.053 20 0 ACADMP OCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 212046121 487022996 /nfs/dbraw/zinc/02/29/96/487022996.db2.gz CETKATKDUWVLFN-SECBINFHSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@H]([NH2+]CC[NH3+])C(C)(C)C 215417848 487026812 /nfs/dbraw/zinc/02/68/12/487026812.db2.gz XJOJPPBHDVSJOI-ZETCQYMHSA-N 2 1 144.262 0.969 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 219249169 487029590 /nfs/dbraw/zinc/02/95/90/487029590.db2.gz UZDSWLHLNKWPOR-VWYCJHECSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 219249028 487029753 /nfs/dbraw/zinc/02/97/53/487029753.db2.gz UZDSWLHLNKWPOR-MXWKQRLJSA-N 2 1 198.310 0.584 20 0 ACADMP COCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 221455949 487032873 /nfs/dbraw/zinc/03/28/73/487032873.db2.gz NZUHZMLMZBURBJ-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 221455949 487032877 /nfs/dbraw/zinc/03/28/77/487032877.db2.gz NZUHZMLMZBURBJ-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 221455889 487033143 /nfs/dbraw/zinc/03/31/43/487033143.db2.gz NZUHZMLMZBURBJ-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 221455889 487033137 /nfs/dbraw/zinc/03/31/37/487033137.db2.gz NZUHZMLMZBURBJ-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCOC1 222816108 487034233 /nfs/dbraw/zinc/03/42/33/487034233.db2.gz XTBUBSYIAHDFAJ-AEJSXWLSSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCOC1 222816054 487034358 /nfs/dbraw/zinc/03/43/58/487034358.db2.gz XTBUBSYIAHDFAJ-BBBLOLIVSA-N 2 1 184.283 0.363 20 0 ACADMP COCC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 224207434 487038419 /nfs/dbraw/zinc/03/84/19/487038419.db2.gz IXRQTBHACKNYGF-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 224207389 487038747 /nfs/dbraw/zinc/03/87/47/487038747.db2.gz IXRQTBHACKNYGF-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP N[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 224610138 487040912 /nfs/dbraw/zinc/04/09/12/487040912.db2.gz LJZNNPZYNRUNJI-IUCAKERBSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 224610138 487040919 /nfs/dbraw/zinc/04/09/19/487040919.db2.gz LJZNNPZYNRUNJI-IUCAKERBSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 224610138 487040923 /nfs/dbraw/zinc/04/09/23/487040923.db2.gz LJZNNPZYNRUNJI-IUCAKERBSA-N 2 1 186.324 0.773 20 0 ACADMP N[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 224610088 487041047 /nfs/dbraw/zinc/04/10/47/487041047.db2.gz LJZNNPZYNRUNJI-DTWKUNHWSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 224610088 487041048 /nfs/dbraw/zinc/04/10/48/487041048.db2.gz LJZNNPZYNRUNJI-DTWKUNHWSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 224610088 487041049 /nfs/dbraw/zinc/04/10/49/487041049.db2.gz LJZNNPZYNRUNJI-DTWKUNHWSA-N 2 1 186.324 0.773 20 0 ACADMP C[C@H]1CO[C@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]C1 225983503 487045158 /nfs/dbraw/zinc/04/51/58/487045158.db2.gz APNRGAYZAHMVDJ-HBNTYKKESA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H]1CO[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 225983503 487045167 /nfs/dbraw/zinc/04/51/67/487045167.db2.gz APNRGAYZAHMVDJ-HBNTYKKESA-N 2 1 198.310 0.705 20 0 ACADMP COC[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 226317319 487048608 /nfs/dbraw/zinc/04/86/08/487048608.db2.gz CWGHPRJBNPGJRM-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 226317319 487048611 /nfs/dbraw/zinc/04/86/11/487048611.db2.gz CWGHPRJBNPGJRM-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 226317323 487048792 /nfs/dbraw/zinc/04/87/92/487048792.db2.gz CWGHPRJBNPGJRM-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 226317323 487048796 /nfs/dbraw/zinc/04/87/96/487048796.db2.gz CWGHPRJBNPGJRM-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CCOCC2CC2)C1 226419658 487050962 /nfs/dbraw/zinc/05/09/62/487050962.db2.gz ZGOJYPFQZWDOQM-LLVKDONJSA-N 2 1 198.310 0.694 20 0 ACADMP Cn1cc(CC[N@@H+](C)CCC[NH3+])cn1 226423239 487051063 /nfs/dbraw/zinc/05/10/63/487051063.db2.gz TYYWVXYLASPLJJ-UHFFFAOYSA-N 2 1 196.298 0.243 20 0 ACADMP [NH3+]C1CC[NH+](CCOCC2CC2)CC1 226416248 487051228 /nfs/dbraw/zinc/05/12/28/487051228.db2.gz DZNDMMGVBKHWMC-UHFFFAOYSA-N 2 1 198.310 0.836 20 0 ACADMP COCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 226419573 487051275 /nfs/dbraw/zinc/05/12/75/487051275.db2.gz ULNGBTFBQMOZDS-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP COCCCCC[N@H+]1CC[C@@H]([NH3+])C1 226419573 487051277 /nfs/dbraw/zinc/05/12/77/487051277.db2.gz ULNGBTFBQMOZDS-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 226419654 487051581 /nfs/dbraw/zinc/05/15/81/487051581.db2.gz ZGOJYPFQZWDOQM-NSHDSACASA-N 2 1 198.310 0.694 20 0 ACADMP COCCCCC[N@@H+]1CC[C@H]([NH3+])C1 226419580 487052010 /nfs/dbraw/zinc/05/20/10/487052010.db2.gz ULNGBTFBQMOZDS-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP COCCCCC[N@H+]1CC[C@H]([NH3+])C1 226419580 487052018 /nfs/dbraw/zinc/05/20/18/487052018.db2.gz ULNGBTFBQMOZDS-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)COC)C1 226627574 487052405 /nfs/dbraw/zinc/05/24/05/487052405.db2.gz DWWGGUNONGBYNG-UWVGGRQHSA-N 2 1 186.299 0.563 20 0 ACADMP OC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 226495362 487052685 /nfs/dbraw/zinc/05/26/85/487052685.db2.gz XMQWPICMELSRLH-GHMZBOCLSA-N 2 1 198.310 0.300 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 226541095 487052786 /nfs/dbraw/zinc/05/27/86/487052786.db2.gz SXKAFIKWZWTLIZ-IVZWLZJFSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH3+])C2)O1 227067832 487053973 /nfs/dbraw/zinc/05/39/73/487053973.db2.gz BZCDTXDHGKQJKA-OUAUKWLOSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](C[NH3+])C2)O1 227067815 487054143 /nfs/dbraw/zinc/05/41/43/487054143.db2.gz BZCDTXDHGKQJKA-VWYCJHECSA-N 2 1 198.310 0.835 20 0 ACADMP COCC[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228474814 487059066 /nfs/dbraw/zinc/05/90/66/487059066.db2.gz UPLMVZXHZKMGLM-HBNTYKKESA-N 2 1 198.310 0.692 20 0 ACADMP C1C[C@H]([NH2+]C[C@H]2CCSC2)C[NH2+]1 228553527 487059330 /nfs/dbraw/zinc/05/93/30/487059330.db2.gz OJEWRXOEFLUOMD-BDAKNGLRSA-N 2 1 186.324 0.691 20 0 ACADMP C1C[C@H]([NH2+]C[C@@H]2CCSC2)C[NH2+]1 228553514 487059457 /nfs/dbraw/zinc/05/94/57/487059457.db2.gz OJEWRXOEFLUOMD-IUCAKERBSA-N 2 1 186.324 0.691 20 0 ACADMP C1C[C@@H]([NH2+]C[C@H]2CCSC2)C[NH2+]1 228553522 487059501 /nfs/dbraw/zinc/05/95/01/487059501.db2.gz OJEWRXOEFLUOMD-RKDXNWHRSA-N 2 1 186.324 0.691 20 0 ACADMP C1C[C@@H]([NH2+]C[C@@H]2CCSC2)C[NH2+]1 228553507 487059943 /nfs/dbraw/zinc/05/99/43/487059943.db2.gz OJEWRXOEFLUOMD-DTWKUNHWSA-N 2 1 186.324 0.691 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 228724199 487062542 /nfs/dbraw/zinc/06/25/42/487062542.db2.gz HINFBZZOUFHPKR-UTLUCORTSA-N 2 1 168.284 0.923 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 228724180 487062639 /nfs/dbraw/zinc/06/26/39/487062639.db2.gz HINFBZZOUFHPKR-KXUCPTDWSA-N 2 1 168.284 0.923 20 0 ACADMP CC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C 229979887 487072265 /nfs/dbraw/zinc/07/22/65/487072265.db2.gz WBVCQILWERAWMS-SNVBAGLBSA-N 2 1 197.282 0.552 20 0 ACADMP CC[C@H](O)C[NH2+]CCn1cc[nH+]c1C 229979894 487072367 /nfs/dbraw/zinc/07/23/67/487072367.db2.gz WBVCQILWERAWMS-JTQLQIEISA-N 2 1 197.282 0.552 20 0 ACADMP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 230507217 487074367 /nfs/dbraw/zinc/07/43/67/487074367.db2.gz SVSFCCCVJXATPE-IVZWLZJFSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 230507132 487074479 /nfs/dbraw/zinc/07/44/79/487074479.db2.gz SVSFCCCVJXATPE-AEJSXWLSSA-N 2 1 184.283 0.363 20 0 ACADMP Cn1nccc1CC[N@@H+](C)CCC[NH3+] 230748856 487075507 /nfs/dbraw/zinc/07/55/07/487075507.db2.gz LQOUGNJBXYEQFB-UHFFFAOYSA-N 2 1 196.298 0.243 20 0 ACADMP C1C[C@H]([NH2+]CC[C@H]2CCOC2)C[NH2+]1 232450648 487082021 /nfs/dbraw/zinc/08/20/21/487082021.db2.gz LFSJOXQIRKBMJE-UWVGGRQHSA-N 2 1 184.283 0.365 20 0 ACADMP C1C[C@H]([NH2+]CC[C@@H]2CCOC2)C[NH2+]1 232450645 487082204 /nfs/dbraw/zinc/08/22/04/487082204.db2.gz LFSJOXQIRKBMJE-ZJUUUORDSA-N 2 1 184.283 0.365 20 0 ACADMP C1C[C@@H]([NH2+]CC[C@H]2CCOC2)C[NH2+]1 232475211 487082995 /nfs/dbraw/zinc/08/29/95/487082995.db2.gz LFSJOXQIRKBMJE-VHSXEESVSA-N 2 1 184.283 0.365 20 0 ACADMP C1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C[NH2+]1 232475205 487083066 /nfs/dbraw/zinc/08/30/66/487083066.db2.gz LFSJOXQIRKBMJE-NXEZZACHSA-N 2 1 184.283 0.365 20 0 ACADMP CC(C)COCC[N@@H+](C)CCC[NH3+] 232636344 487083882 /nfs/dbraw/zinc/08/38/82/487083882.db2.gz MMERMXQBGVETBI-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP CC(C)[C@H](C)[NH2+][C@H](C)C[NH3+] 232712121 487083939 /nfs/dbraw/zinc/08/39/39/487083939.db2.gz WQGBQRIOZGKRAX-SFYZADRCSA-N 2 1 144.262 0.968 20 0 ACADMP CC(C)[C@@H](C)[NH2+][C@H](C)C[NH3+] 232705129 487084313 /nfs/dbraw/zinc/08/43/13/487084313.db2.gz WQGBQRIOZGKRAX-HTQZYQBOSA-N 2 1 144.262 0.968 20 0 ACADMP CC[C@@H](COC)[NH2+]C[C@@H]1CCC[NH2+]1 233879745 487092443 /nfs/dbraw/zinc/09/24/43/487092443.db2.gz OBGABEIYNREKDB-UWVGGRQHSA-N 2 1 186.299 0.753 20 0 ACADMP CCOC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 233733580 487092478 /nfs/dbraw/zinc/09/24/78/487092478.db2.gz GIUZNSRZDFPXJN-ZJUUUORDSA-N 2 1 186.299 0.753 20 0 ACADMP CCOC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 233765854 487092510 /nfs/dbraw/zinc/09/25/10/487092510.db2.gz GIUZNSRZDFPXJN-VHSXEESVSA-N 2 1 186.299 0.753 20 0 ACADMP CC[C@@H](COC)[NH2+]C[C@H]1CCC[NH2+]1 233880314 487092531 /nfs/dbraw/zinc/09/25/31/487092531.db2.gz OBGABEIYNREKDB-VHSXEESVSA-N 2 1 186.299 0.753 20 0 ACADMP CCOC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 233734895 487092846 /nfs/dbraw/zinc/09/28/46/487092846.db2.gz GIUZNSRZDFPXJN-NXEZZACHSA-N 2 1 186.299 0.753 20 0 ACADMP CCOC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 233764990 487092957 /nfs/dbraw/zinc/09/29/57/487092957.db2.gz GIUZNSRZDFPXJN-UWVGGRQHSA-N 2 1 186.299 0.753 20 0 ACADMP CC[C@H](COC)[NH2+]C[C@@H]1CCC[NH2+]1 234016320 487095046 /nfs/dbraw/zinc/09/50/46/487095046.db2.gz OBGABEIYNREKDB-ZJUUUORDSA-N 2 1 186.299 0.753 20 0 ACADMP CC[C@H](COC)[NH2+]C[C@H]1CCC[NH2+]1 234017275 487095223 /nfs/dbraw/zinc/09/52/23/487095223.db2.gz OBGABEIYNREKDB-NXEZZACHSA-N 2 1 186.299 0.753 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 234454884 487097287 /nfs/dbraw/zinc/09/72/87/487097287.db2.gz BZJMADXHGPVZRU-OUAUKWLOSA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 234454884 487097292 /nfs/dbraw/zinc/09/72/92/487097292.db2.gz BZJMADXHGPVZRU-OUAUKWLOSA-N 2 1 198.310 0.705 20 0 ACADMP COC[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 234737432 487098136 /nfs/dbraw/zinc/09/81/36/487098136.db2.gz CWGHPRJBNPGJRM-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 234737432 487098142 /nfs/dbraw/zinc/09/81/42/487098142.db2.gz CWGHPRJBNPGJRM-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 234737452 487098220 /nfs/dbraw/zinc/09/82/20/487098220.db2.gz CWGHPRJBNPGJRM-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 234737452 487098222 /nfs/dbraw/zinc/09/82/22/487098222.db2.gz CWGHPRJBNPGJRM-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1OCC[C@H]1CN1CCC[NH2+]CC1 235297409 487101344 /nfs/dbraw/zinc/10/13/44/487101344.db2.gz KFFZRIQDHYMEKS-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1OCC[C@@H]1CN1CCC[NH2+]CC1 235303302 487101434 /nfs/dbraw/zinc/10/14/34/487101434.db2.gz KFFZRIQDHYMEKS-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 235515991 487104388 /nfs/dbraw/zinc/10/43/88/487104388.db2.gz SFLKAXAXJWVUSC-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]1OCC[C@H]1CN1CCC[NH2+]CC1 235593454 487105587 /nfs/dbraw/zinc/10/55/87/487105587.db2.gz KFFZRIQDHYMEKS-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](N)C1 235593758 487106105 /nfs/dbraw/zinc/10/61/05/487106105.db2.gz RXZXXFIMLKHRMH-KXUCPTDWSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 235593758 487106106 /nfs/dbraw/zinc/10/61/06/487106106.db2.gz RXZXXFIMLKHRMH-KXUCPTDWSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 235530417 487106291 /nfs/dbraw/zinc/10/62/91/487106291.db2.gz SFLKAXAXJWVUSC-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 235622871 487107099 /nfs/dbraw/zinc/10/70/99/487107099.db2.gz RXZXXFIMLKHRMH-OPRDCNLKSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 235622871 487107100 /nfs/dbraw/zinc/10/71/00/487107100.db2.gz RXZXXFIMLKHRMH-OPRDCNLKSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 235622415 487107116 /nfs/dbraw/zinc/10/71/16/487107116.db2.gz CGXYJZMZLNBVIA-GMTAPVOTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 235679552 487107245 /nfs/dbraw/zinc/10/72/45/487107245.db2.gz QZQKKROEMRKOHA-IVZWLZJFSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 235728513 487107276 /nfs/dbraw/zinc/10/72/76/487107276.db2.gz QZQKKROEMRKOHA-LPEHRKFASA-N 2 1 184.283 0.505 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 236217106 487108259 /nfs/dbraw/zinc/10/82/59/487108259.db2.gz XLUKKMBTOBMKAR-MNOVXSKESA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 236244141 487108402 /nfs/dbraw/zinc/10/84/02/487108402.db2.gz XLUKKMBTOBMKAR-GHMZBOCLSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 252429714 487124258 /nfs/dbraw/zinc/12/42/58/487124258.db2.gz AMKXIKBQTXLEQO-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP CCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 249855627 487112025 /nfs/dbraw/zinc/11/20/25/487112025.db2.gz LRAVPLUUFVJTRM-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 249855627 487112028 /nfs/dbraw/zinc/11/20/28/487112028.db2.gz LRAVPLUUFVJTRM-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 249855631 487112091 /nfs/dbraw/zinc/11/20/91/487112091.db2.gz LRAVPLUUFVJTRM-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 249855631 487112096 /nfs/dbraw/zinc/11/20/96/487112096.db2.gz LRAVPLUUFVJTRM-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCOC1 250366087 487112508 /nfs/dbraw/zinc/11/25/08/487112508.db2.gz FXNQZTLPULMFKF-UWVGGRQHSA-N 2 1 184.283 0.317 20 0 ACADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCOC1 250366090 487112561 /nfs/dbraw/zinc/11/25/61/487112561.db2.gz FXNQZTLPULMFKF-ZJUUUORDSA-N 2 1 184.283 0.317 20 0 ACADMP CC(C)C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 250591979 487113359 /nfs/dbraw/zinc/11/33/59/487113359.db2.gz LLKLBBQKZXAXOV-VHSXEESVSA-N 2 1 186.299 0.690 20 0 ACADMP CC(C)C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 250591979 487113364 /nfs/dbraw/zinc/11/33/64/487113364.db2.gz LLKLBBQKZXAXOV-VHSXEESVSA-N 2 1 186.299 0.690 20 0 ACADMP CC(C)C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 250591976 487113373 /nfs/dbraw/zinc/11/33/73/487113373.db2.gz LLKLBBQKZXAXOV-UWVGGRQHSA-N 2 1 186.299 0.690 20 0 ACADMP CC(C)C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 250591976 487113376 /nfs/dbraw/zinc/11/33/76/487113376.db2.gz LLKLBBQKZXAXOV-UWVGGRQHSA-N 2 1 186.299 0.690 20 0 ACADMP CCOCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 250402968 487113435 /nfs/dbraw/zinc/11/34/35/487113435.db2.gz RUCPSNHUSMRJBW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COC[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 250485823 487113446 /nfs/dbraw/zinc/11/34/46/487113446.db2.gz YZXLANKQISJVEQ-QWRGUYRKSA-N 2 1 198.310 0.564 20 0 ACADMP COC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 250485825 487113542 /nfs/dbraw/zinc/11/35/42/487113542.db2.gz YZXLANKQISJVEQ-WDEREUQCSA-N 2 1 198.310 0.564 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 250402965 487113559 /nfs/dbraw/zinc/11/35/59/487113559.db2.gz RUCPSNHUSMRJBW-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)COC)C1 250970572 487114318 /nfs/dbraw/zinc/11/43/18/487114318.db2.gz DWWGGUNONGBYNG-ZJUUUORDSA-N 2 1 186.299 0.563 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 250988860 487114400 /nfs/dbraw/zinc/11/44/00/487114400.db2.gz CFNCKRPGVLUIFZ-GHMZBOCLSA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 250988860 487114403 /nfs/dbraw/zinc/11/44/03/487114403.db2.gz CFNCKRPGVLUIFZ-GHMZBOCLSA-N 2 1 198.310 0.979 20 0 ACADMP O[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251074418 487114681 /nfs/dbraw/zinc/11/46/81/487114681.db2.gz GFICCDGVQPQSQQ-VHSXEESVSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCOC1 251109562 487114758 /nfs/dbraw/zinc/11/47/58/487114758.db2.gz OUFWXRBFOAVBCO-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP O[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251074417 487114857 /nfs/dbraw/zinc/11/48/57/487114857.db2.gz GFICCDGVQPQSQQ-UWVGGRQHSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCOC1 251109564 487115659 /nfs/dbraw/zinc/11/56/59/487115659.db2.gz OUFWXRBFOAVBCO-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N(C)C 251119274 487115707 /nfs/dbraw/zinc/11/57/07/487115707.db2.gz QPHSZAFOGOBZTD-VWYCJHECSA-N 3 1 199.342 0.654 20 0 ACADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N(C)C 251119271 487115723 /nfs/dbraw/zinc/11/57/23/487115723.db2.gz QPHSZAFOGOBZTD-OUAUKWLOSA-N 3 1 199.342 0.654 20 0 ACADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)[C@H](C)CO1 251529161 487118048 /nfs/dbraw/zinc/11/80/48/487118048.db2.gz APNRGAYZAHMVDJ-MXWKQRLJSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)[C@H](C)CO1 251529161 487118052 /nfs/dbraw/zinc/11/80/52/487118052.db2.gz APNRGAYZAHMVDJ-MXWKQRLJSA-N 2 1 198.310 0.705 20 0 ACADMP O[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 251521155 487118105 /nfs/dbraw/zinc/11/81/05/487118105.db2.gz WVLPXIQYZAWOGM-GHMZBOCLSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H]1CO[C@H](C)C[N@@H+]1C[C@H]1CC[NH2+]C1 251529145 487118146 /nfs/dbraw/zinc/11/81/46/487118146.db2.gz APNRGAYZAHMVDJ-AXFHLTTASA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H]1CO[C@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 251529145 487118147 /nfs/dbraw/zinc/11/81/47/487118147.db2.gz APNRGAYZAHMVDJ-AXFHLTTASA-N 2 1 198.310 0.705 20 0 ACADMP O[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 251521164 487118302 /nfs/dbraw/zinc/11/83/02/487118302.db2.gz WVLPXIQYZAWOGM-MNOVXSKESA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCCO1 251527228 487118407 /nfs/dbraw/zinc/11/84/07/487118407.db2.gz AEINTPQYVXIJOC-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCCO1 251527216 487118461 /nfs/dbraw/zinc/11/84/61/487118461.db2.gz AEINTPQYVXIJOC-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1[NH3+] 251932561 487121615 /nfs/dbraw/zinc/12/16/15/487121615.db2.gz YVYOQCFUCDRFIW-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@H]1[NH3+] 251932556 487122446 /nfs/dbraw/zinc/12/24/46/487122446.db2.gz YVYOQCFUCDRFIW-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@@H]1[NH3+] 251932559 487122120 /nfs/dbraw/zinc/12/21/20/487122120.db2.gz YVYOQCFUCDRFIW-MXWKQRLJSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)CC[N@H+]1C 252179363 487122994 /nfs/dbraw/zinc/12/29/94/487122994.db2.gz SQHKFRVWXQRKJA-MXWKQRLJSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CC[N@H+]1C 252179365 487123173 /nfs/dbraw/zinc/12/31/73/487123173.db2.gz SQHKFRVWXQRKJA-VWYCJHECSA-N 2 1 197.326 0.421 20 0 ACADMP CC[C@H]1C[N@@H+](CCOC)CC[C@H]1[NH3+] 252678385 487125231 /nfs/dbraw/zinc/12/52/31/487125231.db2.gz IIBGOOAQKKAXLQ-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@@H]1C[N@@H+](CCOC)CC[C@H]1[NH3+] 252678384 487125397 /nfs/dbraw/zinc/12/53/97/487125397.db2.gz IIBGOOAQKKAXLQ-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252783808 487127664 /nfs/dbraw/zinc/12/76/64/487127664.db2.gz SXKAFIKWZWTLIZ-LPEHRKFASA-N 2 1 186.299 0.690 20 0 ACADMP CCOCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 252696468 487126482 /nfs/dbraw/zinc/12/64/82/487126482.db2.gz AJKATGZPMZINCP-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 252696467 487126492 /nfs/dbraw/zinc/12/64/92/487126492.db2.gz AJKATGZPMZINCP-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CCOC1 252699125 487126664 /nfs/dbraw/zinc/12/66/64/487126664.db2.gz RETOOCKQRBYLHL-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CCOC1 252699126 487126704 /nfs/dbraw/zinc/12/67/04/487126704.db2.gz RETOOCKQRBYLHL-MXWKQRLJSA-N 2 1 198.310 0.692 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252766540 487127402 /nfs/dbraw/zinc/12/74/02/487127402.db2.gz JAMLLFVSWGDMIJ-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 252776529 487127473 /nfs/dbraw/zinc/12/74/73/487127473.db2.gz OGAAKJBXXPOSIA-HBNTYKKESA-N 2 1 198.310 0.692 20 0 ACADMP CCOCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252766539 487127525 /nfs/dbraw/zinc/12/75/25/487127525.db2.gz JAMLLFVSWGDMIJ-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252783807 487127538 /nfs/dbraw/zinc/12/75/38/487127538.db2.gz SXKAFIKWZWTLIZ-GUBZILKMSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 252776527 487127628 /nfs/dbraw/zinc/12/76/28/487127628.db2.gz OGAAKJBXXPOSIA-AXFHLTTASA-N 2 1 198.310 0.692 20 0 ACADMP C[C@H](CN)[N@H+](C)CC[C@H]1CCCO1 252811432 487128454 /nfs/dbraw/zinc/12/84/54/487128454.db2.gz OMCPAIQFXNRCPJ-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H](CN)[N@@H+](C)CC[C@H]1CCCO1 252811432 487128458 /nfs/dbraw/zinc/12/84/58/487128458.db2.gz OMCPAIQFXNRCPJ-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H](C[NH3+])[N@H+](C)CC[C@H]1CCCO1 252811432 487128463 /nfs/dbraw/zinc/12/84/63/487128463.db2.gz OMCPAIQFXNRCPJ-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H](C[NH3+])[N@@H+](C)CC[C@H]1CCCO1 252811432 487128464 /nfs/dbraw/zinc/12/84/64/487128464.db2.gz OMCPAIQFXNRCPJ-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CC[C@H]1CCCO1 252811433 487128542 /nfs/dbraw/zinc/12/85/42/487128542.db2.gz OMCPAIQFXNRCPJ-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H](C[NH3+])[N@H+](C)CC[C@H]1CCCO1 252811433 487128550 /nfs/dbraw/zinc/12/85/50/487128550.db2.gz OMCPAIQFXNRCPJ-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H](C[NH3+])[N@@H+](C)CC[C@H]1CCCO1 252811433 487128552 /nfs/dbraw/zinc/12/85/52/487128552.db2.gz OMCPAIQFXNRCPJ-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H](CN)[N@H+](C)CC[C@H]1CCCO1 252811433 487128535 /nfs/dbraw/zinc/12/85/35/487128535.db2.gz OMCPAIQFXNRCPJ-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252873312 487128686 /nfs/dbraw/zinc/12/86/86/487128686.db2.gz UPLMVZXHZKMGLM-GARJFASQSA-N 2 1 198.310 0.692 20 0 ACADMP COCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252873311 487128706 /nfs/dbraw/zinc/12/87/06/487128706.db2.gz UPLMVZXHZKMGLM-DCAQKATOSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 252958827 487129583 /nfs/dbraw/zinc/12/95/83/487129583.db2.gz LQNONGBGLDCVFX-UTLUCORTSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 252958826 487129640 /nfs/dbraw/zinc/12/96/40/487129640.db2.gz LQNONGBGLDCVFX-BBBLOLIVSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])C1CC1 252960359 487130255 /nfs/dbraw/zinc/13/02/55/487130255.db2.gz NFNHQZQFZDOKHO-SZEHBUNVSA-N 2 1 168.284 0.969 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C1CC1 252960357 487130305 /nfs/dbraw/zinc/13/03/05/487130305.db2.gz NFNHQZQFZDOKHO-FKTZTGRPSA-N 2 1 168.284 0.969 20 0 ACADMP COCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253197140 487131382 /nfs/dbraw/zinc/13/13/82/487131382.db2.gz AEABOVUBAVCYRO-NXEZZACHSA-N 2 1 186.299 0.550 20 0 ACADMP C[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCOC1 253083168 487131516 /nfs/dbraw/zinc/13/15/16/487131516.db2.gz XTBUBSYIAHDFAJ-GUBZILKMSA-N 2 1 184.283 0.363 20 0 ACADMP COCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 253197142 487132811 /nfs/dbraw/zinc/13/28/11/487132811.db2.gz AEABOVUBAVCYRO-VHSXEESVSA-N 2 1 186.299 0.550 20 0 ACADMP CC[NH2+]CC1CC[NH+](CCN)CC1 258707233 487134561 /nfs/dbraw/zinc/13/45/61/487134561.db2.gz RYNIYTROHKQWQO-UHFFFAOYSA-N 3 1 185.315 0.267 20 0 ACADMP C[C@@H]([NH3+])CN(C)C[C@H]1CCC[N@@H+](C)C1 258798431 487135854 /nfs/dbraw/zinc/13/58/54/487135854.db2.gz RBMLPQKKOCJAIG-MNOVXSKESA-N 2 1 199.342 0.607 20 0 ACADMP C[C@@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+](C)C1 258798428 487135864 /nfs/dbraw/zinc/13/58/64/487135864.db2.gz RBMLPQKKOCJAIG-GHMZBOCLSA-N 2 1 199.342 0.607 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@H]1CCC[N@@H+](C)C1 258798433 487136025 /nfs/dbraw/zinc/13/60/25/487136025.db2.gz RBMLPQKKOCJAIG-QWRGUYRKSA-N 2 1 199.342 0.607 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@@H]1CCC[N@@H+](C)C1 258798436 487136055 /nfs/dbraw/zinc/13/60/55/487136055.db2.gz RBMLPQKKOCJAIG-WDEREUQCSA-N 2 1 199.342 0.607 20 0 ACADMP C[N@@H+](CCC(C)(C)C)C[C@H](O)C[NH3+] 259063250 487136783 /nfs/dbraw/zinc/13/67/83/487136783.db2.gz QIHOWGPZLQDPKK-SECBINFHSA-N 2 1 188.315 0.674 20 0 ACADMP C[N@@H+](CCC1CCC1)C[C@@H](O)C[NH3+] 259011156 487137142 /nfs/dbraw/zinc/13/71/42/487137142.db2.gz NQGVFQAAHAEIBS-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP C[N@@H+](CCC1CCC1)C[C@H](O)C[NH3+] 259011157 487137188 /nfs/dbraw/zinc/13/71/88/487137188.db2.gz NQGVFQAAHAEIBS-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)CCC[N@@H+](C)C[C@H](O)C[NH3+] 258994212 487137233 /nfs/dbraw/zinc/13/72/33/487137233.db2.gz MRQIVGLDVIVKAA-SNVBAGLBSA-N 2 1 188.315 0.674 20 0 ACADMP CC(C)CCC[N@@H+](C)C[C@@H](O)C[NH3+] 258994210 487137349 /nfs/dbraw/zinc/13/73/49/487137349.db2.gz MRQIVGLDVIVKAA-JTQLQIEISA-N 2 1 188.315 0.674 20 0 ACADMP C[N@@H+](CCC(C)(C)C)C[C@@H](O)C[NH3+] 259063252 487137368 /nfs/dbraw/zinc/13/73/68/487137368.db2.gz QIHOWGPZLQDPKK-VIFPVBQESA-N 2 1 188.315 0.674 20 0 ACADMP C[NH+]1CCC([NH2+]C/C=C/CO)CC1 259893640 487138312 /nfs/dbraw/zinc/13/83/12/487138312.db2.gz ZGWSBGMHYGEHGB-NSCUHMNNSA-N 2 1 184.283 0.219 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 685001231 487138449 /nfs/dbraw/zinc/13/84/49/487138449.db2.gz UGFHELGUYPGGRB-VHSXEESVSA-N 2 1 186.299 0.251 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 685001229 487138570 /nfs/dbraw/zinc/13/85/70/487138570.db2.gz UGFHELGUYPGGRB-NXEZZACHSA-N 2 1 186.299 0.251 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 685001232 487138935 /nfs/dbraw/zinc/13/89/35/487138935.db2.gz UGFHELGUYPGGRB-ZJUUUORDSA-N 2 1 186.299 0.251 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 685001230 487138995 /nfs/dbraw/zinc/13/89/95/487138995.db2.gz UGFHELGUYPGGRB-UWVGGRQHSA-N 2 1 186.299 0.251 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306556226 487160512 /nfs/dbraw/zinc/16/05/12/487160512.db2.gz GIBDXQILAGTEOA-DCAQKATOSA-N 2 1 198.310 0.705 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306556230 487160644 /nfs/dbraw/zinc/16/06/44/487160644.db2.gz GIBDXQILAGTEOA-HBNTYKKESA-N 2 1 198.310 0.705 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306556224 487160653 /nfs/dbraw/zinc/16/06/53/487160653.db2.gz GIBDXQILAGTEOA-AXFHLTTASA-N 2 1 198.310 0.705 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306556228 487160815 /nfs/dbraw/zinc/16/08/15/487160815.db2.gz GIBDXQILAGTEOA-GARJFASQSA-N 2 1 198.310 0.705 20 0 ACADMP CC(C)(O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306646089 487162709 /nfs/dbraw/zinc/16/27/09/487162709.db2.gz ASDRDGGSFMDDRB-GUBZILKMSA-N 2 1 198.310 0.426 20 0 ACADMP CC(C)(O)C[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306646090 487162768 /nfs/dbraw/zinc/16/27/68/487162768.db2.gz ASDRDGGSFMDDRB-IVZWLZJFSA-N 2 1 198.310 0.426 20 0 ACADMP CC(C)(O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306646091 487162894 /nfs/dbraw/zinc/16/28/94/487162894.db2.gz ASDRDGGSFMDDRB-LPEHRKFASA-N 2 1 198.310 0.426 20 0 ACADMP CC(C)(O)C[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306646088 487163076 /nfs/dbraw/zinc/16/30/76/487163076.db2.gz ASDRDGGSFMDDRB-AEJSXWLSSA-N 2 1 198.310 0.426 20 0 ACADMP Cc1nocc1C[N@@H+]1CC[C@H](C[NH3+])C1 306861271 487167938 /nfs/dbraw/zinc/16/79/38/487167938.db2.gz GXWHSGNZNCZRBT-SECBINFHSA-N 2 1 195.266 0.764 20 0 ACADMP Cc1nocc1C[N@H+]1CC[C@H](C[NH3+])C1 306861271 487167942 /nfs/dbraw/zinc/16/79/42/487167942.db2.gz GXWHSGNZNCZRBT-SECBINFHSA-N 2 1 195.266 0.764 20 0 ACADMP Cc1nocc1C[N@@H+]1CC[C@@H](C[NH3+])C1 306861272 487168045 /nfs/dbraw/zinc/16/80/45/487168045.db2.gz GXWHSGNZNCZRBT-VIFPVBQESA-N 2 1 195.266 0.764 20 0 ACADMP Cc1nocc1C[N@H+]1CC[C@@H](C[NH3+])C1 306861272 487168046 /nfs/dbraw/zinc/16/80/46/487168046.db2.gz GXWHSGNZNCZRBT-VIFPVBQESA-N 2 1 195.266 0.764 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1[NH3+] 306916159 487169493 /nfs/dbraw/zinc/16/94/93/487169493.db2.gz WWFCFVPLIRQNRY-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)CCO1 307592319 487186087 /nfs/dbraw/zinc/18/60/87/487186087.db2.gz DCQDMONVIWYZLO-YTWAJWBKSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@H]2C)CCO1 307592319 487186088 /nfs/dbraw/zinc/18/60/88/487186088.db2.gz DCQDMONVIWYZLO-YTWAJWBKSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)CCO1 307592318 487186101 /nfs/dbraw/zinc/18/61/01/487186101.db2.gz DCQDMONVIWYZLO-RCWTZXSCSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CCO1 307592318 487186103 /nfs/dbraw/zinc/18/61/03/487186103.db2.gz DCQDMONVIWYZLO-RCWTZXSCSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)CCO1 307592316 487186211 /nfs/dbraw/zinc/18/62/11/487186211.db2.gz DCQDMONVIWYZLO-NAKRPEOUSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)CCO1 307592316 487186213 /nfs/dbraw/zinc/18/62/13/487186213.db2.gz DCQDMONVIWYZLO-NAKRPEOUSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@H]2C[C@@H]2C)CCO1 307592315 487186307 /nfs/dbraw/zinc/18/63/07/487186307.db2.gz DCQDMONVIWYZLO-MMWGEVLESA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2C)CCO1 307592315 487186309 /nfs/dbraw/zinc/18/63/09/487186309.db2.gz DCQDMONVIWYZLO-MMWGEVLESA-N 2 1 198.310 0.690 20 0 ACADMP CC[C@@H](C)[NH2+][C@H](C)C[NH2+]C 307641664 487186793 /nfs/dbraw/zinc/18/67/93/487186793.db2.gz IXLYTNIOSZTOMH-HTQZYQBOSA-N 2 1 144.262 0.982 20 0 ACADMP CC[C@H](C)[NH2+][C@H](C)C[NH2+]C 307641665 487186931 /nfs/dbraw/zinc/18/69/31/487186931.db2.gz IXLYTNIOSZTOMH-JGVFFNPUSA-N 2 1 144.262 0.982 20 0 ACADMP CC[C@H](C)[NH2+][C@@H](C)C[NH2+]C 307641667 487187089 /nfs/dbraw/zinc/18/70/89/487187089.db2.gz IXLYTNIOSZTOMH-YUMQZZPRSA-N 2 1 144.262 0.982 20 0 ACADMP CC[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 307641666 487187135 /nfs/dbraw/zinc/18/71/35/487187135.db2.gz IXLYTNIOSZTOMH-SFYZADRCSA-N 2 1 144.262 0.982 20 0 ACADMP C[N@@H+](CCCF)C1CC([NH3+])C1 307717483 487189558 /nfs/dbraw/zinc/18/95/58/487189558.db2.gz NAVZQZCMMLXHLN-UHFFFAOYSA-N 2 1 160.236 0.768 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]CC1(C)CC1 307892902 487191495 /nfs/dbraw/zinc/19/14/95/487191495.db2.gz GKAMZULXPZIAOG-QMMMGPOBSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]CC1(C)CC1 307892901 487191665 /nfs/dbraw/zinc/19/16/65/487191665.db2.gz GKAMZULXPZIAOG-MRVPVSSYSA-N 2 1 156.273 0.984 20 0 ACADMP CCC(CC)C[N@@H+](C)C[C@@H](O)C[NH3+] 308414170 487200451 /nfs/dbraw/zinc/20/04/51/487200451.db2.gz PWPHZIGGSNJLQR-JTQLQIEISA-N 2 1 188.315 0.674 20 0 ACADMP CCC(CC)C[N@@H+](C)C[C@H](O)C[NH3+] 308414171 487200745 /nfs/dbraw/zinc/20/07/45/487200745.db2.gz PWPHZIGGSNJLQR-SNVBAGLBSA-N 2 1 188.315 0.674 20 0 ACADMP COCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 379362045 487239821 /nfs/dbraw/zinc/23/98/21/487239821.db2.gz CWSLVWZSYVXZAG-VIFPVBQESA-N 2 1 186.299 0.611 20 0 ACADMP CC(C)[N@@H+](C)C[C@H](O)Cn1ccnc1 379543783 487245140 /nfs/dbraw/zinc/24/51/40/487245140.db2.gz TUKCWXQLNOBDAR-JTQLQIEISA-N 2 1 197.282 0.584 20 0 ACADMP CC(C)[N@@H+](C)C[C@@H](O)Cn1ccnc1 379543784 487245219 /nfs/dbraw/zinc/24/52/19/487245219.db2.gz TUKCWXQLNOBDAR-SNVBAGLBSA-N 2 1 197.282 0.584 20 0 ACADMP CCOC[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 393654553 487267228 /nfs/dbraw/zinc/26/72/28/487267228.db2.gz DLBAZNNKIHBWEM-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CCOC[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 393654553 487267230 /nfs/dbraw/zinc/26/72/30/487267230.db2.gz DLBAZNNKIHBWEM-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COC(C)(C)C[N@H+](C)C[C@@H](C)[NH3+] 393639432 487267244 /nfs/dbraw/zinc/26/72/44/487267244.db2.gz QEIUWSKCBFOLNX-MRVPVSSYSA-N 2 1 174.288 0.690 20 0 ACADMP COC(C)(C)C[N@@H+](C)C[C@@H](C)[NH3+] 393639432 487267245 /nfs/dbraw/zinc/26/72/45/487267245.db2.gz QEIUWSKCBFOLNX-MRVPVSSYSA-N 2 1 174.288 0.690 20 0 ACADMP COC(C)(C)C[N@H+](C)C[C@H](C)[NH3+] 393639433 487267257 /nfs/dbraw/zinc/26/72/57/487267257.db2.gz QEIUWSKCBFOLNX-QMMMGPOBSA-N 2 1 174.288 0.690 20 0 ACADMP COC(C)(C)C[N@@H+](C)C[C@H](C)[NH3+] 393639433 487267260 /nfs/dbraw/zinc/26/72/60/487267260.db2.gz QEIUWSKCBFOLNX-QMMMGPOBSA-N 2 1 174.288 0.690 20 0 ACADMP CCOC[C@H]1CC[N@H+](C[C@H](C)[NH3+])C1 393654554 487267439 /nfs/dbraw/zinc/26/74/39/487267439.db2.gz DLBAZNNKIHBWEM-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CCOC[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 393654554 487267442 /nfs/dbraw/zinc/26/74/42/487267442.db2.gz DLBAZNNKIHBWEM-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CCOC[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 393654556 487267484 /nfs/dbraw/zinc/26/74/84/487267484.db2.gz DLBAZNNKIHBWEM-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CCOC[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 393654556 487267487 /nfs/dbraw/zinc/26/74/87/487267487.db2.gz DLBAZNNKIHBWEM-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CCOC[C@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 393654557 487267626 /nfs/dbraw/zinc/26/76/26/487267626.db2.gz DLBAZNNKIHBWEM-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP CCOC[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 393654557 487267630 /nfs/dbraw/zinc/26/76/30/487267630.db2.gz DLBAZNNKIHBWEM-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](CCO)CC(C)(C)C 393662662 487268136 /nfs/dbraw/zinc/26/81/36/487268136.db2.gz ASPICSCCUSTHMT-SECBINFHSA-N 2 1 188.315 0.674 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](CCO)CC(C)(C)C 393662662 487268139 /nfs/dbraw/zinc/26/81/39/487268139.db2.gz ASPICSCCUSTHMT-SECBINFHSA-N 2 1 188.315 0.674 20 0 ACADMP C[C@H]([NH3+])C[N@H+](CCO)CC(C)(C)C 393662667 487268452 /nfs/dbraw/zinc/26/84/52/487268452.db2.gz ASPICSCCUSTHMT-VIFPVBQESA-N 2 1 188.315 0.674 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](CCO)CC(C)(C)C 393662667 487268456 /nfs/dbraw/zinc/26/84/56/487268456.db2.gz ASPICSCCUSTHMT-VIFPVBQESA-N 2 1 188.315 0.674 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]CC[C@H]1CCOC1 401397071 487288882 /nfs/dbraw/zinc/28/88/82/487288882.db2.gz LNGUDFMSTJFRGY-ZJUUUORDSA-N 2 1 186.299 0.611 20 0 ACADMP [NH3+]C[C@H]1C[N@H+](CCC2CCC2)CCO1 398732051 487285905 /nfs/dbraw/zinc/28/59/05/487285905.db2.gz SSLHTLULXFLNRS-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1C[N@@H+](CCC2CCC2)CCO1 398732051 487285909 /nfs/dbraw/zinc/28/59/09/487285909.db2.gz SSLHTLULXFLNRS-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1C[N@H+](CCC2CCC2)CCO1 398732048 487286450 /nfs/dbraw/zinc/28/64/50/487286450.db2.gz SSLHTLULXFLNRS-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1C[N@@H+](CCC2CCC2)CCO1 398732048 487286451 /nfs/dbraw/zinc/28/64/51/487286451.db2.gz SSLHTLULXFLNRS-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]CC[C@@H]1CCOC1 401397065 487288510 /nfs/dbraw/zinc/28/85/10/487288510.db2.gz LNGUDFMSTJFRGY-NXEZZACHSA-N 2 1 186.299 0.611 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]CC[C@H]1CCOC1 401397067 487288741 /nfs/dbraw/zinc/28/87/41/487288741.db2.gz LNGUDFMSTJFRGY-UWVGGRQHSA-N 2 1 186.299 0.611 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]CC[C@@H]1CCOC1 401397069 487288836 /nfs/dbraw/zinc/28/88/36/487288836.db2.gz LNGUDFMSTJFRGY-VHSXEESVSA-N 2 1 186.299 0.611 20 0 ACADMP CCO[C@@H]1C[N@H+](C(C)C)C[C@H]1C[NH3+] 405782709 487292972 /nfs/dbraw/zinc/29/29/72/487292972.db2.gz MRICICZNOUOKNW-NXEZZACHSA-N 2 1 186.299 0.690 20 0 ACADMP CCC[N@@H+]1C[C@@H](OCC)[C@H](C[NH3+])C1 405823508 487293019 /nfs/dbraw/zinc/29/30/19/487293019.db2.gz XGDVHQRMWAQCSD-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CCO[C@@H]1C[N@@H+](CC)C[C@H]1C[NH3+] 405779214 487293096 /nfs/dbraw/zinc/29/30/96/487293096.db2.gz LVUNYALRHZSTPJ-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[N@H+]1CCCC[C@@H](CNC(N)=[NH2+])C1 606259775 487303555 /nfs/dbraw/zinc/30/35/55/487303555.db2.gz LNPGABURFIWEFR-QMMMGPOBSA-N 2 1 184.287 0.201 20 0 ACADMP C[N@H+]1CCCC[C@H](CNC(N)=[NH2+])C1 606259772 487303750 /nfs/dbraw/zinc/30/37/50/487303750.db2.gz LNPGABURFIWEFR-MRVPVSSYSA-N 2 1 184.287 0.201 20 0 ACADMP CC[C@@H]1C[N@H+](CCC[NH3+])C[C@H](C)O1 666633551 487330788 /nfs/dbraw/zinc/33/07/88/487330788.db2.gz RHFYAOIKXXUAOW-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@@H+](CCC[NH3+])C[C@H](C)O1 666633551 487330790 /nfs/dbraw/zinc/33/07/90/487330790.db2.gz RHFYAOIKXXUAOW-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@H+](CCC[NH3+])C[C@@H](C)O1 666633549 487330823 /nfs/dbraw/zinc/33/08/23/487330823.db2.gz RHFYAOIKXXUAOW-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H](C)O1 666633549 487330824 /nfs/dbraw/zinc/33/08/24/487330824.db2.gz RHFYAOIKXXUAOW-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@H+](CCC[NH3+])C[C@H](C)O1 666633550 487330997 /nfs/dbraw/zinc/33/09/97/487330997.db2.gz RHFYAOIKXXUAOW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@@H+](CCC[NH3+])C[C@H](C)O1 666633550 487330999 /nfs/dbraw/zinc/33/09/99/487330999.db2.gz RHFYAOIKXXUAOW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC(C)(C)C[N@@H+](CCO)CCC[NH3+] 666639267 487331018 /nfs/dbraw/zinc/33/10/18/487331018.db2.gz WUJDXLMOHXKDQB-UHFFFAOYSA-N 2 1 188.315 0.676 20 0 ACADMP CC[C@H]1C[N@H+](CCC[NH3+])C[C@@H](C)O1 666633552 487331548 /nfs/dbraw/zinc/33/15/48/487331548.db2.gz RHFYAOIKXXUAOW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@@H+](CCC[NH3+])C[C@@H](C)O1 666633552 487331550 /nfs/dbraw/zinc/33/15/50/487331550.db2.gz RHFYAOIKXXUAOW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](CCC[NH3+])[C@@H](CO)C(C)(C)C 666648142 487331951 /nfs/dbraw/zinc/33/19/51/487331951.db2.gz WIDHCAXJBLOOEZ-VIFPVBQESA-N 2 1 188.315 0.674 20 0 ACADMP CC[C@]1(CO)CCC[N@H+]1CCC[NH3+] 666693620 487332054 /nfs/dbraw/zinc/33/20/54/487332054.db2.gz CLZUIRDFVBGOKZ-SNVBAGLBSA-N 2 1 186.299 0.572 20 0 ACADMP CC(C)[C@H]1C[N@H+](CCC[NH3+])CCO1 666693617 487332091 /nfs/dbraw/zinc/33/20/91/487332091.db2.gz BTNPOFKSHXMHOS-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)[C@H]1C[N@@H+](CCC[NH3+])CCO1 666693617 487332096 /nfs/dbraw/zinc/33/20/96/487332096.db2.gz BTNPOFKSHXMHOS-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP [NH3+]CCC[N@@H+]1CCOC[C@@H]1C1CC1 666642813 487332124 /nfs/dbraw/zinc/33/21/24/487332124.db2.gz DSUXGVZVIBSJIZ-SNVBAGLBSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]CCC[N@H+]1CCOC[C@@H]1C1CC1 666642813 487332127 /nfs/dbraw/zinc/33/21/27/487332127.db2.gz DSUXGVZVIBSJIZ-SNVBAGLBSA-N 2 1 184.283 0.446 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC[C@@H]1O 666650442 487332168 /nfs/dbraw/zinc/33/21/68/487332168.db2.gz VULPLNHVAWNECB-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@@H+](CCC[NH3+])[C@H](CO)C(C)(C)C 666648141 487332182 /nfs/dbraw/zinc/33/21/82/487332182.db2.gz WIDHCAXJBLOOEZ-SECBINFHSA-N 2 1 188.315 0.674 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC[C@@H]1O 666650440 487332207 /nfs/dbraw/zinc/33/22/07/487332207.db2.gz VULPLNHVAWNECB-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP CC[C@@]1(C)COCC[N@@H+]1CCC[NH3+] 666699938 487332248 /nfs/dbraw/zinc/33/22/48/487332248.db2.gz SHJOCKFHNKYEDY-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@@]1(C)COCC[N@H+]1CCC[NH3+] 666699938 487332250 /nfs/dbraw/zinc/33/22/50/487332250.db2.gz SHJOCKFHNKYEDY-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP C[C@H]1C[N@H+](CCC[NH3+])C[C@@H](C2CC2)O1 666699645 487332254 /nfs/dbraw/zinc/33/22/54/487332254.db2.gz LFSXJIUCNUQJSH-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[N@@H+](CCC[NH3+])C[C@@H](C2CC2)O1 666699645 487332256 /nfs/dbraw/zinc/33/22/56/487332256.db2.gz LFSXJIUCNUQJSH-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@H+](CCC[NH3+])C[C@@H](C2CC2)O1 666699643 487332272 /nfs/dbraw/zinc/33/22/72/487332272.db2.gz LFSXJIUCNUQJSH-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@@H](C2CC2)O1 666699643 487332273 /nfs/dbraw/zinc/33/22/73/487332273.db2.gz LFSXJIUCNUQJSH-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP CC[C@@]1(CO)CCC[N@H+]1CCC[NH3+] 666693619 487332293 /nfs/dbraw/zinc/33/22/93/487332293.db2.gz CLZUIRDFVBGOKZ-JTQLQIEISA-N 2 1 186.299 0.572 20 0 ACADMP CC[N@H+]1C[C@@H](C)N(CCC[NH3+])C[C@H]1C 666693657 487332302 /nfs/dbraw/zinc/33/23/02/487332302.db2.gz PGKRWEOBOWFJIS-GHMZBOCLSA-N 2 1 199.342 0.750 20 0 ACADMP CC(C)[C@@H]1C[N@H+](CCC[NH3+])CCO1 666693613 487332317 /nfs/dbraw/zinc/33/23/17/487332317.db2.gz BTNPOFKSHXMHOS-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)[C@@H]1C[N@@H+](CCC[NH3+])CCO1 666693613 487332318 /nfs/dbraw/zinc/33/23/18/487332318.db2.gz BTNPOFKSHXMHOS-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP [NH3+]CCC[N@@H+]1CCOC[C@H]1C1CC1 666642812 487332337 /nfs/dbraw/zinc/33/23/37/487332337.db2.gz DSUXGVZVIBSJIZ-JTQLQIEISA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]CCC[N@H+]1CCOC[C@H]1C1CC1 666642812 487332338 /nfs/dbraw/zinc/33/23/38/487332338.db2.gz DSUXGVZVIBSJIZ-JTQLQIEISA-N 2 1 184.283 0.446 20 0 ACADMP C[C@H]1C[N@H+](CCC[NH3+])C[C@H](C2CC2)O1 666699642 487332344 /nfs/dbraw/zinc/33/23/44/487332344.db2.gz LFSXJIUCNUQJSH-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[N@@H+](CCC[NH3+])C[C@H](C2CC2)O1 666699642 487332345 /nfs/dbraw/zinc/33/23/45/487332345.db2.gz LFSXJIUCNUQJSH-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@H]1CCC[C@H]1O 666650439 487332355 /nfs/dbraw/zinc/33/23/55/487332355.db2.gz VULPLNHVAWNECB-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP CC[N@H+]1C[C@H](C)N(CCC[NH3+])C[C@H]1C 666693659 487332366 /nfs/dbraw/zinc/33/23/66/487332366.db2.gz PGKRWEOBOWFJIS-MNOVXSKESA-N 2 1 199.342 0.750 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCC[C@H]1O 666650441 487332386 /nfs/dbraw/zinc/33/23/86/487332386.db2.gz VULPLNHVAWNECB-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1C[N@H+](CCC[NH3+])C[C@H](C2CC2)O1 666699644 487332397 /nfs/dbraw/zinc/33/23/97/487332397.db2.gz LFSXJIUCNUQJSH-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[NH3+])C[C@H](C2CC2)O1 666699644 487332399 /nfs/dbraw/zinc/33/23/99/487332399.db2.gz LFSXJIUCNUQJSH-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP CC[C@]1(C)COCC[N@@H+]1CCC[NH3+] 666699939 487332506 /nfs/dbraw/zinc/33/25/06/487332506.db2.gz SHJOCKFHNKYEDY-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[C@]1(C)COCC[N@H+]1CCC[NH3+] 666699939 487332508 /nfs/dbraw/zinc/33/25/08/487332508.db2.gz SHJOCKFHNKYEDY-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CC[N@H+]1C[C@@H](C)N(CCC[NH3+])C[C@@H]1C 666693661 487332577 /nfs/dbraw/zinc/33/25/77/487332577.db2.gz PGKRWEOBOWFJIS-WDEREUQCSA-N 2 1 199.342 0.750 20 0 ACADMP CC[N@H+]1C[C@H](C)N(CCC[NH3+])C[C@@H]1C 666693660 487332603 /nfs/dbraw/zinc/33/26/03/487332603.db2.gz PGKRWEOBOWFJIS-QWRGUYRKSA-N 2 1 199.342 0.750 20 0 ACADMP C[NH2+]CC[NH2+][C@@H](C)CC1CC1 666779014 487337098 /nfs/dbraw/zinc/33/70/98/487337098.db2.gz XSNGEQSEMPIDNU-QMMMGPOBSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H](C)CC1CC1 666779013 487337240 /nfs/dbraw/zinc/33/72/40/487337240.db2.gz XSNGEQSEMPIDNU-MRVPVSSYSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+]C1Cc2ccccc2C1 666779016 487337318 /nfs/dbraw/zinc/33/73/18/487337318.db2.gz XYCBIZBHUXRQGG-UHFFFAOYSA-N 2 1 190.290 0.963 20 0 ACADMP CC[NH2+]CC[NH2+]C1CCC(C[NH3+])CC1 666782351 487337799 /nfs/dbraw/zinc/33/77/99/487337799.db2.gz VDGMBUHFIDZQPL-UHFFFAOYSA-N 3 1 199.342 0.703 20 0 ACADMP CC[NH2+]CC[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 666782321 487337911 /nfs/dbraw/zinc/33/79/11/487337911.db2.gz KSVVWPCAVJINRS-QWRGUYRKSA-N 3 1 199.342 0.574 20 0 ACADMP CC[NH2+]CC[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 666782320 487337933 /nfs/dbraw/zinc/33/79/33/487337933.db2.gz KSVVWPCAVJINRS-MNOVXSKESA-N 3 1 199.342 0.574 20 0 ACADMP CC[NH2+]CC[NH2+]CC(C)(C)COC 666782313 487337992 /nfs/dbraw/zinc/33/79/92/487337992.db2.gz JOMDTFJPGHHLON-UHFFFAOYSA-N 2 1 188.315 0.858 20 0 ACADMP CC[NH2+]CC[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 666782322 487338072 /nfs/dbraw/zinc/33/80/72/487338072.db2.gz KSVVWPCAVJINRS-WDEREUQCSA-N 3 1 199.342 0.574 20 0 ACADMP CC[NH2+]CC[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 666782319 487338148 /nfs/dbraw/zinc/33/81/48/487338148.db2.gz KSVVWPCAVJINRS-GHMZBOCLSA-N 3 1 199.342 0.574 20 0 ACADMP C[NH2+]CC[NH2+][C@@H](C)C1CCC1 666779482 487338268 /nfs/dbraw/zinc/33/82/68/487338268.db2.gz OBPCHGPYVUVXIW-QMMMGPOBSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H](C)C1CCC1 666779481 487338297 /nfs/dbraw/zinc/33/82/97/487338297.db2.gz OBPCHGPYVUVXIW-MRVPVSSYSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+]CC(C)(C)COC 666779480 487338419 /nfs/dbraw/zinc/33/84/19/487338419.db2.gz MUEPREOIERMUET-UHFFFAOYSA-N 2 1 174.288 0.468 20 0 ACADMP C[NH2+]CCC[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 666808080 487339475 /nfs/dbraw/zinc/33/94/75/487339475.db2.gz JQTVDSWMPOLDIO-MNOVXSKESA-N 3 1 199.342 0.716 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 666808082 487339677 /nfs/dbraw/zinc/33/96/77/487339677.db2.gz JQTVDSWMPOLDIO-WDEREUQCSA-N 3 1 199.342 0.716 20 0 ACADMP C[NH2+]CCC[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 666808079 487339736 /nfs/dbraw/zinc/33/97/36/487339736.db2.gz JQTVDSWMPOLDIO-GHMZBOCLSA-N 3 1 199.342 0.716 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 666808081 487339796 /nfs/dbraw/zinc/33/97/96/487339796.db2.gz JQTVDSWMPOLDIO-QWRGUYRKSA-N 3 1 199.342 0.716 20 0 ACADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@H](C)C[NH3+] 666827619 487340625 /nfs/dbraw/zinc/34/06/25/487340625.db2.gz OSSJHYNEQXQCTL-VWYCJHECSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 666827617 487340768 /nfs/dbraw/zinc/34/07/68/487340768.db2.gz OSSJHYNEQXQCTL-MXWKQRLJSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 666827616 487340853 /nfs/dbraw/zinc/34/08/53/487340853.db2.gz OSSJHYNEQXQCTL-GMTAPVOTSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@H](C)C[NH3+] 666827618 487340940 /nfs/dbraw/zinc/34/09/40/487340940.db2.gz OSSJHYNEQXQCTL-OUAUKWLOSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 666836719 487342207 /nfs/dbraw/zinc/34/22/07/487342207.db2.gz LQNONGBGLDCVFX-GUBZILKMSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@H]1C[C@@H]1C[NH2+][C@H]1CCC[NH2+]C1 666836718 487342369 /nfs/dbraw/zinc/34/23/69/487342369.db2.gz LQNONGBGLDCVFX-AEJSXWLSSA-N 2 1 168.284 0.984 20 0 ACADMP COC[C@@H](CC(C)C)[NH2+][C@H](C)C[NH3+] 666868675 487344071 /nfs/dbraw/zinc/34/40/71/487344071.db2.gz PAFPRUAEIMGVSO-NXEZZACHSA-N 2 1 188.315 0.984 20 0 ACADMP COC[C@H](CC(C)C)[NH2+][C@H](C)C[NH3+] 666868676 487344431 /nfs/dbraw/zinc/34/44/31/487344431.db2.gz PAFPRUAEIMGVSO-ZJUUUORDSA-N 2 1 188.315 0.984 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+][C@H](CC)COC 666878599 487345059 /nfs/dbraw/zinc/34/50/59/487345059.db2.gz VDZGVNNPGSYHQP-NXEZZACHSA-N 2 1 188.315 0.999 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)COC 666878600 487344992 /nfs/dbraw/zinc/34/49/92/487344992.db2.gz VDZGVNNPGSYHQP-ZJUUUORDSA-N 2 1 188.315 0.999 20 0 ACADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCCO1 667014701 487353196 /nfs/dbraw/zinc/35/31/96/487353196.db2.gz DZJYZEGEIZWKFP-GARJFASQSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCCO1 667014702 487353263 /nfs/dbraw/zinc/35/32/63/487353263.db2.gz DZJYZEGEIZWKFP-OUAUKWLOSA-N 2 1 198.310 0.896 20 0 ACADMP CC[N@H+]1CCCC[C@H]1CNCCC[NH3+] 667014734 487353405 /nfs/dbraw/zinc/35/34/05/487353405.db2.gz RVCUFPHPDLZKJC-NSHDSACASA-N 2 1 199.342 0.799 20 0 ACADMP CC[N@H+]1CCCC[C@@H]1CNCCC[NH3+] 667014733 487353421 /nfs/dbraw/zinc/35/34/21/487353421.db2.gz RVCUFPHPDLZKJC-LLVKDONJSA-N 2 1 199.342 0.799 20 0 ACADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCCO1 667014700 487353541 /nfs/dbraw/zinc/35/35/41/487353541.db2.gz DZJYZEGEIZWKFP-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 667043927 487353552 /nfs/dbraw/zinc/35/35/52/487353552.db2.gz NYEPKBZACUMZSD-MXWKQRLJSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 667043927 487353554 /nfs/dbraw/zinc/35/35/54/487353554.db2.gz NYEPKBZACUMZSD-MXWKQRLJSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 667043926 487353591 /nfs/dbraw/zinc/35/35/91/487353591.db2.gz NYEPKBZACUMZSD-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 667043926 487353594 /nfs/dbraw/zinc/35/35/94/487353594.db2.gz NYEPKBZACUMZSD-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCCO1 667014703 487353721 /nfs/dbraw/zinc/35/37/21/487353721.db2.gz DZJYZEGEIZWKFP-VWYCJHECSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 667043930 487354088 /nfs/dbraw/zinc/35/40/88/487354088.db2.gz NYEPKBZACUMZSD-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CCCO[C@@H](C[NH3+])C1 667043930 487354091 /nfs/dbraw/zinc/35/40/91/487354091.db2.gz NYEPKBZACUMZSD-VWYCJHECSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@H]1[C@H](CO)CCC[N@H+]1CCC[NH3+] 667060716 487354173 /nfs/dbraw/zinc/35/41/73/487354173.db2.gz GXVKLQZRCOCDHF-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP CC1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 667043942 487354238 /nfs/dbraw/zinc/35/42/38/487354238.db2.gz TXMZVFGZLKGLMS-JTQLQIEISA-N 2 1 198.310 0.836 20 0 ACADMP CC1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 667043942 487354241 /nfs/dbraw/zinc/35/42/41/487354241.db2.gz TXMZVFGZLKGLMS-JTQLQIEISA-N 2 1 198.310 0.836 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CCCO[C@H](C[NH3+])C1 667043929 487354290 /nfs/dbraw/zinc/35/42/90/487354290.db2.gz NYEPKBZACUMZSD-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CCCO[C@H](C[NH3+])C1 667043929 487354291 /nfs/dbraw/zinc/35/42/91/487354291.db2.gz NYEPKBZACUMZSD-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP [NH3+]CCC[N@H+]1CCC[C@@H]2COC[C@@H]21 667048398 487354319 /nfs/dbraw/zinc/35/43/19/487354319.db2.gz LCBJKLMBFIAZSI-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@H]1[C@H](CO)CCC[N@H+]1CCC[NH3+] 667060718 487354357 /nfs/dbraw/zinc/35/43/57/487354357.db2.gz GXVKLQZRCOCDHF-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H]1[C@@H](CO)CCC[N@H+]1CCC[NH3+] 667060717 487354431 /nfs/dbraw/zinc/35/44/31/487354431.db2.gz GXVKLQZRCOCDHF-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1[C@@H](CO)CCC[N@H+]1CCC[NH3+] 667060715 487354445 /nfs/dbraw/zinc/35/44/45/487354445.db2.gz GXVKLQZRCOCDHF-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP CC1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 667043943 487354523 /nfs/dbraw/zinc/35/45/23/487354523.db2.gz TXMZVFGZLKGLMS-SNVBAGLBSA-N 2 1 198.310 0.836 20 0 ACADMP CC1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 667043943 487354525 /nfs/dbraw/zinc/35/45/25/487354525.db2.gz TXMZVFGZLKGLMS-SNVBAGLBSA-N 2 1 198.310 0.836 20 0 ACADMP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+](C)C 848996743 582481778 /nfs/dbraw/zinc/48/17/78/582481778.db2.gz WCGJWFNJJQQZQN-QMMMGPOBSA-N 2 1 198.314 0.555 20 0 ACADMP C[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+](C)C 848996742 582481938 /nfs/dbraw/zinc/48/19/38/582481938.db2.gz WCGJWFNJJQQZQN-MRVPVSSYSA-N 2 1 198.314 0.555 20 0 ACADMP C[N@@H+](CCC[NH3+])C1CCC1 158195240 582491111 /nfs/dbraw/zinc/49/11/11/582491111.db2.gz PGQICHAONOGCIZ-UHFFFAOYSA-N 2 1 142.246 0.820 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1cccs1 211402287 582514477 /nfs/dbraw/zinc/51/44/77/582514477.db2.gz KGKIXPKUXNSBPH-BQBZGAKWSA-N 2 1 168.265 0.762 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1cccs1 211402224 582514630 /nfs/dbraw/zinc/51/46/30/582514630.db2.gz KGKIXPKUXNSBPH-RQJHMYQMSA-N 2 1 168.265 0.762 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1cccs1 211402432 582514635 /nfs/dbraw/zinc/51/46/35/582514635.db2.gz KGKIXPKUXNSBPH-NKWVEPMBSA-N 2 1 168.265 0.762 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cccs1 211402366 582514762 /nfs/dbraw/zinc/51/47/62/582514762.db2.gz KGKIXPKUXNSBPH-RNFRBKRXSA-N 2 1 168.265 0.762 20 0 ACADMP CC[C@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 224519167 582518406 /nfs/dbraw/zinc/51/84/06/582518406.db2.gz QXZVKHIQXOOZQE-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 224519167 582518408 /nfs/dbraw/zinc/51/84/08/582518408.db2.gz QXZVKHIQXOOZQE-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@@H](C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 224519123 582518499 /nfs/dbraw/zinc/51/84/99/582518499.db2.gz QXZVKHIQXOOZQE-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@@H](C)C[N@H+]1CCO[C@@H](C[NH3+])C1 224519123 582518502 /nfs/dbraw/zinc/51/85/02/582518502.db2.gz QXZVKHIQXOOZQE-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 238383442 582551715 /nfs/dbraw/zinc/55/17/15/582551715.db2.gz ITZCZPICCKWISU-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@@H](CC(C)C)[NH2+][C@@H](C)C[NH3+] 841066827 582553485 /nfs/dbraw/zinc/55/34/85/582553485.db2.gz PAFPRUAEIMGVSO-VHSXEESVSA-N 2 1 188.315 0.984 20 0 ACADMP COC[C@H](CC(C)C)[NH2+][C@@H](C)C[NH3+] 841066824 582553498 /nfs/dbraw/zinc/55/34/98/582553498.db2.gz PAFPRUAEIMGVSO-UWVGGRQHSA-N 2 1 188.315 0.984 20 0 ACADMP CCO[C@@H]1CCC[N@@H+](CCC[NH3+])C1 42420675 582559208 /nfs/dbraw/zinc/55/92/08/582559208.db2.gz OBRHLBSKYLJOSY-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CCO[C@H]1CCC[N@@H+](CCC[NH3+])C1 42420676 582559383 /nfs/dbraw/zinc/55/93/83/582559383.db2.gz OBRHLBSKYLJOSY-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP C[C@H](CCCC[NH3+])[NH2+]CC1([NH3+])CC1 902408662 582600382 /nfs/dbraw/zinc/60/03/82/582600382.db2.gz DBGDXDHUXGIXLS-SECBINFHSA-N 3 1 185.315 0.585 20 0 ACADMP C[C@@H](CCCC[NH3+])[NH2+]CC1([NH3+])CC1 902408663 582600562 /nfs/dbraw/zinc/60/05/62/582600562.db2.gz DBGDXDHUXGIXLS-VIFPVBQESA-N 3 1 185.315 0.585 20 0 ACADMP C[C@H](CCCCO)[NH2+]CC1([NH3+])CC1 902412833 582602149 /nfs/dbraw/zinc/60/21/49/582602149.db2.gz GHTSKIMHNURQES-SECBINFHSA-N 2 1 186.299 0.618 20 0 ACADMP C[C@@H](CCCCO)[NH2+]CC1([NH3+])CC1 902412834 582602445 /nfs/dbraw/zinc/60/24/45/582602445.db2.gz GHTSKIMHNURQES-VIFPVBQESA-N 2 1 186.299 0.618 20 0 ACADMP COCCC[C@H](C)[NH2+]CC1([NH3+])CC1 902418588 582604669 /nfs/dbraw/zinc/60/46/69/582604669.db2.gz WVJQIRGFXFOKMH-VIFPVBQESA-N 2 1 186.299 0.882 20 0 ACADMP COCCC[C@@H](C)[NH2+]CC1([NH3+])CC1 902418586 582604791 /nfs/dbraw/zinc/60/47/91/582604791.db2.gz WVJQIRGFXFOKMH-SECBINFHSA-N 2 1 186.299 0.882 20 0 ACADMP CC(C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902474399 582605988 /nfs/dbraw/zinc/60/59/88/582605988.db2.gz DYHHYYUVJCPTGR-HRDYMLBCSA-N 2 1 154.257 0.877 20 0 ACADMP C1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 902472734 582606085 /nfs/dbraw/zinc/60/60/85/582606085.db2.gz GOSAHNLSMUAEGL-OUAUKWLOSA-N 2 1 196.294 0.648 20 0 ACADMP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902475946 582606126 /nfs/dbraw/zinc/60/61/26/582606126.db2.gz KGMDNZMHWXVNAW-ZRUFSTJUSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H]1C[C@@H](NCC2([NH3+])CC2)CC[N@H+]1C 902415149 582606334 /nfs/dbraw/zinc/60/63/34/582606334.db2.gz BUTSUAAUISXWCH-UWVGGRQHSA-N 2 1 197.326 0.550 20 0 ACADMP C[C@H]1C[C@H](NCC2([NH3+])CC2)CC[N@H+]1C 902415150 582606367 /nfs/dbraw/zinc/60/63/67/582606367.db2.gz BUTSUAAUISXWCH-VHSXEESVSA-N 2 1 197.326 0.550 20 0 ACADMP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 902475945 582606592 /nfs/dbraw/zinc/60/65/92/582606592.db2.gz KGMDNZMHWXVNAW-CHWFTXMASA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1C[C@H](NCC2([NH3+])CC2)CC[N@H+]1C 902415148 582606597 /nfs/dbraw/zinc/60/65/97/582606597.db2.gz BUTSUAAUISXWCH-NXEZZACHSA-N 2 1 197.326 0.550 20 0 ACADMP C[C@@H]1C[C@@H](NCC2([NH3+])CC2)CC[N@H+]1C 902415151 582606864 /nfs/dbraw/zinc/60/68/64/582606864.db2.gz BUTSUAAUISXWCH-ZJUUUORDSA-N 2 1 197.326 0.550 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)cn1 902461574 582607078 /nfs/dbraw/zinc/60/70/78/582607078.db2.gz PGJWHVDHEPWUFL-RKDXNWHRSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cn(C)cn1 902461571 582607433 /nfs/dbraw/zinc/60/74/33/582607433.db2.gz PGJWHVDHEPWUFL-BDAKNGLRSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)cn1 902461573 582607501 /nfs/dbraw/zinc/60/75/01/582607501.db2.gz PGJWHVDHEPWUFL-IUCAKERBSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)cn1 902461572 582607656 /nfs/dbraw/zinc/60/76/56/582607656.db2.gz PGJWHVDHEPWUFL-DTWKUNHWSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@@H]([NH2+]C/C=C\Cl)C1C[NH2+]C1 902516723 582608921 /nfs/dbraw/zinc/60/89/21/582608921.db2.gz FPQKNRWYWIPXBR-SKRYNEFJSA-N 2 1 174.675 0.936 20 0 ACADMP C[C@@H]([NH2+]C/C=C/Cl)C1C[NH2+]C1 902516725 582609071 /nfs/dbraw/zinc/60/90/71/582609071.db2.gz FPQKNRWYWIPXBR-TYWZFMJISA-N 2 1 174.675 0.936 20 0 ACADMP C[C@H]([NH2+]C/C=C\Cl)C1C[NH2+]C1 902516726 582609174 /nfs/dbraw/zinc/60/91/74/582609174.db2.gz FPQKNRWYWIPXBR-XDVGHUOJSA-N 2 1 174.675 0.936 20 0 ACADMP C[C@H]([NH2+]C/C=C/Cl)C1C[NH2+]C1 902516722 582609478 /nfs/dbraw/zinc/60/94/78/582609478.db2.gz FPQKNRWYWIPXBR-AIYRYJHASA-N 2 1 174.675 0.936 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](O)C2)C1 903461430 582624360 /nfs/dbraw/zinc/62/43/60/582624360.db2.gz SYXONMUDWBKHQY-AXFHLTTASA-N 2 1 198.310 0.571 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1CO 903454068 582624439 /nfs/dbraw/zinc/62/44/39/582624439.db2.gz UDFDVTXTDMLAEJ-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2CO)C1 903454057 582624507 /nfs/dbraw/zinc/62/45/07/582624507.db2.gz SVTVSMRLSKAHMM-AXFHLTTASA-N 2 1 198.310 0.571 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@H+](CCN)CCO 903448699 582625057 /nfs/dbraw/zinc/62/50/57/582625057.db2.gz JYPWLDZWXWSACO-ZJUUUORDSA-N 2 1 186.299 0.286 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+](CCN)CCO 903448699 582625061 /nfs/dbraw/zinc/62/50/61/582625061.db2.gz JYPWLDZWXWSACO-ZJUUUORDSA-N 2 1 186.299 0.286 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@H+](CC[NH3+])CCO 903448699 582625063 /nfs/dbraw/zinc/62/50/63/582625063.db2.gz JYPWLDZWXWSACO-ZJUUUORDSA-N 2 1 186.299 0.286 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+](CC[NH3+])CCO 903448699 582625065 /nfs/dbraw/zinc/62/50/65/582625065.db2.gz JYPWLDZWXWSACO-ZJUUUORDSA-N 2 1 186.299 0.286 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H]1CO 903491069 582625548 /nfs/dbraw/zinc/62/55/48/582625548.db2.gz UDFDVTXTDMLAEJ-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CO)C1 903491051 582625897 /nfs/dbraw/zinc/62/58/97/582625897.db2.gz SVTVSMRLSKAHMM-HBNTYKKESA-N 2 1 198.310 0.571 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 903548799 582626194 /nfs/dbraw/zinc/62/61/94/582626194.db2.gz CGXYJZMZLNBVIA-VWYCJHECSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([NH3+])C1 903548798 582626782 /nfs/dbraw/zinc/62/67/82/582626782.db2.gz CGXYJZMZLNBVIA-MXWKQRLJSA-N 2 1 198.310 0.835 20 0 ACADMP CC1CC(C[N@H+](CC[NH3+])CCO)C1 903744234 582627073 /nfs/dbraw/zinc/62/70/73/582627073.db2.gz QJSXGWMIAGIDIF-UHFFFAOYSA-N 2 1 186.299 0.286 20 0 ACADMP CC1CC(C[N@@H+](CC[NH3+])CCO)C1 903744234 582627075 /nfs/dbraw/zinc/62/70/75/582627075.db2.gz QJSXGWMIAGIDIF-UHFFFAOYSA-N 2 1 186.299 0.286 20 0 ACADMP C[C@@H]1CCOCC[N@H+]1C[C@@H]1CC[NH2+]C1 903832294 582627175 /nfs/dbraw/zinc/62/71/75/582627175.db2.gz PNAQRNUPYGKAPM-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]CCC[N@H+]1CCOCC[C@H]1C 903831320 582627200 /nfs/dbraw/zinc/62/72/00/582627200.db2.gz HXSXLLOPLIQTFY-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]CCC[N@H+]1CCOCC[C@@H]1C 903831319 582627746 /nfs/dbraw/zinc/62/77/46/582627746.db2.gz HXSXLLOPLIQTFY-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP C[C@@H]1CCOCC[N@H+]1C[C@H]1CC[NH2+]C1 903832295 582628194 /nfs/dbraw/zinc/62/81/94/582628194.db2.gz PNAQRNUPYGKAPM-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP CC[N@H+](CCO)C[C@H]([NH3+])CC(F)F 903873386 582628546 /nfs/dbraw/zinc/62/85/46/582628546.db2.gz PQESTBSHMVJVKX-SSDOTTSWSA-N 2 1 196.241 0.283 20 0 ACADMP CC[N@@H+](CCO)C[C@H]([NH3+])CC(F)F 903873386 582628549 /nfs/dbraw/zinc/62/85/49/582628549.db2.gz PQESTBSHMVJVKX-SSDOTTSWSA-N 2 1 196.241 0.283 20 0 ACADMP CC[N@H+](CCO)C[C@@H]([NH3+])CC(F)F 903873387 582628836 /nfs/dbraw/zinc/62/88/36/582628836.db2.gz PQESTBSHMVJVKX-ZETCQYMHSA-N 2 1 196.241 0.283 20 0 ACADMP CC[N@@H+](CCO)C[C@@H]([NH3+])CC(F)F 903873387 582628837 /nfs/dbraw/zinc/62/88/37/582628837.db2.gz PQESTBSHMVJVKX-ZETCQYMHSA-N 2 1 196.241 0.283 20 0 ACADMP C[C@H]1CCOCC[N@H+]1C[C@@H]1CC[NH2+]C1 903832297 582628861 /nfs/dbraw/zinc/62/88/61/582628861.db2.gz PNAQRNUPYGKAPM-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1CCOCC[N@H+]1C[C@H]1CC[NH2+]C1 903832296 582628904 /nfs/dbraw/zinc/62/89/04/582628904.db2.gz PNAQRNUPYGKAPM-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP COCCC[NH2+]C[C@H]([NH3+])CC(F)F 903924498 582629509 /nfs/dbraw/zinc/62/95/09/582629509.db2.gz DWIIJHPVZVLDLC-SSDOTTSWSA-N 2 1 196.241 0.595 20 0 ACADMP C[C@H](O)C[N@H+](C)C[C@H]([NH3+])CC(F)F 903904574 582629538 /nfs/dbraw/zinc/62/95/38/582629538.db2.gz XACCSJNCTXWRKO-NKWVEPMBSA-N 2 1 196.241 0.282 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[NH2+]CC1 903939613 582629553 /nfs/dbraw/zinc/62/95/53/582629553.db2.gz KFVQCOMNSOHOPZ-SNVBAGLBSA-N 3 1 199.342 0.846 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 903939256 582629589 /nfs/dbraw/zinc/62/95/89/582629589.db2.gz DVJMTLCELPIPLS-UWVGGRQHSA-N 3 1 199.342 0.973 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@H]1CCC[NH2+]CC1 903939612 582629738 /nfs/dbraw/zinc/62/97/38/582629738.db2.gz KFVQCOMNSOHOPZ-JTQLQIEISA-N 3 1 199.342 0.846 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 903939259 582629773 /nfs/dbraw/zinc/62/97/73/582629773.db2.gz DVJMTLCELPIPLS-ZJUUUORDSA-N 3 1 199.342 0.973 20 0 ACADMP C[C@@H](O)C[N@H+](C)C[C@H]([NH3+])CC(F)F 903904575 582629923 /nfs/dbraw/zinc/62/99/23/582629923.db2.gz XACCSJNCTXWRKO-RNFRBKRXSA-N 2 1 196.241 0.282 20 0 ACADMP CC(C)([NH3+])CC[NH2+]C1CC[NH2+]CC1 903939638 582630014 /nfs/dbraw/zinc/63/00/14/582630014.db2.gz KTMHHIFHHARCRD-UHFFFAOYSA-N 3 1 185.315 0.455 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 903939255 582630035 /nfs/dbraw/zinc/63/00/35/582630035.db2.gz DVJMTLCELPIPLS-NXEZZACHSA-N 3 1 199.342 0.973 20 0 ACADMP CC(C)([NH3+])CC[NH2+]C[C@@]12C[NH2+]C[C@@H]1C2 903939009 582630114 /nfs/dbraw/zinc/63/01/14/582630114.db2.gz BIRTWDRZYBMPEN-ONGXEEELSA-N 3 1 197.326 0.313 20 0 ACADMP C[C@H](O)C[N@H+](C)C[C@@H]([NH3+])CC(F)F 903904572 582630172 /nfs/dbraw/zinc/63/01/72/582630172.db2.gz XACCSJNCTXWRKO-BQBZGAKWSA-N 2 1 196.241 0.282 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 903939257 582630269 /nfs/dbraw/zinc/63/02/69/582630269.db2.gz DVJMTLCELPIPLS-VHSXEESVSA-N 3 1 199.342 0.973 20 0 ACADMP CC(C)([NH3+])CC[NH2+]C[C@]12C[NH2+]C[C@H]1C2 903939007 582630295 /nfs/dbraw/zinc/63/02/95/582630295.db2.gz BIRTWDRZYBMPEN-MWLCHTKSSA-N 3 1 197.326 0.313 20 0 ACADMP COCCC[NH2+]C[C@@H]([NH3+])CC(F)F 903924499 582630299 /nfs/dbraw/zinc/63/02/99/582630299.db2.gz DWIIJHPVZVLDLC-ZETCQYMHSA-N 2 1 196.241 0.595 20 0 ACADMP C[C@@H](O)C[N@H+](C)C[C@@H]([NH3+])CC(F)F 903904576 582630325 /nfs/dbraw/zinc/63/03/25/582630325.db2.gz XACCSJNCTXWRKO-RQJHMYQMSA-N 2 1 196.241 0.282 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCOCC1 903963917 582631304 /nfs/dbraw/zinc/63/13/04/582631304.db2.gz JLMVPYJIBUXMTE-PSASIEDQSA-N 2 1 184.283 0.363 20 0 ACADMP CC(C)[C@H](N)C[NH2+]C1CC(C[NH3+])C1 904349880 582634304 /nfs/dbraw/zinc/63/43/04/582634304.db2.gz DZVHUVWKIQVVQF-UDNWOFFPSA-N 2 1 185.315 0.297 20 0 ACADMP C[C@]1(C[N@H+]2CC[C@H](O)C2)CCC[NH2+]C1 904309132 582634537 /nfs/dbraw/zinc/63/45/37/582634537.db2.gz AJPNXVMRLDPVGQ-QWRGUYRKSA-N 2 1 198.310 0.443 20 0 ACADMP C[N@@H+](CCO)C[C@@]1(C)CCC[NH2+]C1 904301179 582634561 /nfs/dbraw/zinc/63/45/61/582634561.db2.gz AKNVGVMTGIYYJB-JTQLQIEISA-N 2 1 186.299 0.300 20 0 ACADMP C[N@@H+](CCO)C[C@]1(C)CCC[NH2+]C1 904301180 582634611 /nfs/dbraw/zinc/63/46/11/582634611.db2.gz AKNVGVMTGIYYJB-SNVBAGLBSA-N 2 1 186.299 0.300 20 0 ACADMP C[C@@]1(C[N@H+]2CC[C@H](O)C2)CCC[NH2+]C1 904309133 582634619 /nfs/dbraw/zinc/63/46/19/582634619.db2.gz AJPNXVMRLDPVGQ-WDEREUQCSA-N 2 1 198.310 0.443 20 0 ACADMP CCC(N)(CC)C[NH2+]C1CC(C[NH3+])C1 904349578 582634934 /nfs/dbraw/zinc/63/49/34/582634934.db2.gz ATMUYBGJFYHTSO-UHFFFAOYSA-N 2 1 199.342 0.831 20 0 ACADMP CCCC[C@@H](C[NH3+])[NH2+]C1CC(C[NH3+])C1 904349844 582634952 /nfs/dbraw/zinc/63/49/52/582634952.db2.gz DBOQPQJJHZDXLF-YVNMAJEFSA-N 3 1 199.342 0.831 20 0 ACADMP CC(C)[C@@H](N)C[NH2+]C1CC(C[NH3+])C1 904349879 582635190 /nfs/dbraw/zinc/63/51/90/582635190.db2.gz DZVHUVWKIQVVQF-RTBKNWGFSA-N 2 1 185.315 0.297 20 0 ACADMP CCCC[C@H](C[NH3+])[NH2+]C1CC(C[NH3+])C1 904349843 582635216 /nfs/dbraw/zinc/63/52/16/582635216.db2.gz DBOQPQJJHZDXLF-HSOILSAZSA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H](C[NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 904353641 582635516 /nfs/dbraw/zinc/63/55/16/582635516.db2.gz PTCUVGMLAYSBJE-GHMZBOCLSA-N 3 1 199.342 0.561 20 0 ACADMP [NH3+]CC1CC(NC[C@@H]2CCC[NH2+]2)C1 904352859 582635523 /nfs/dbraw/zinc/63/55/23/582635523.db2.gz DQHPCZMDDGMUEO-KYHHOPLUSA-N 2 1 183.299 0.065 20 0 ACADMP C[C@H](CC[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 904354570 582635693 /nfs/dbraw/zinc/63/56/93/582635693.db2.gz CYYPRDGBNYWSLH-MNOVXSKESA-N 3 1 199.342 0.703 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(C[NH3+])C1 904356675 582635737 /nfs/dbraw/zinc/63/57/37/582635737.db2.gz XRADJUHPKFHWQW-PMUOWJKOSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@@H](CC[NH3+])[NH2+]C[C@@]1(C)CCC[NH2+]C1 904354571 582635749 /nfs/dbraw/zinc/63/57/49/582635749.db2.gz CYYPRDGBNYWSLH-QWRGUYRKSA-N 3 1 199.342 0.703 20 0 ACADMP C[C@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 904356092 582635808 /nfs/dbraw/zinc/63/58/08/582635808.db2.gz TZJVRPBHHHSJOM-SECBINFHSA-N 2 1 193.294 0.582 20 0 ACADMP C[C@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 904356092 582635810 /nfs/dbraw/zinc/63/58/10/582635810.db2.gz TZJVRPBHHHSJOM-SECBINFHSA-N 3 1 193.294 0.582 20 0 ACADMP [NH3+]CC1CC(NC[C@H]2CCC[NH2+]2)C1 904352858 582635829 /nfs/dbraw/zinc/63/58/29/582635829.db2.gz DQHPCZMDDGMUEO-HWOCKDDLSA-N 2 1 183.299 0.065 20 0 ACADMP C[C@@H](CN)[NH2+]Cc1ccc(C[NH3+])cc1 904356093 582635844 /nfs/dbraw/zinc/63/58/44/582635844.db2.gz TZJVRPBHHHSJOM-VIFPVBQESA-N 2 1 193.294 0.582 20 0 ACADMP C[C@@H](C[NH3+])[NH2+]Cc1ccc(C[NH3+])cc1 904356093 582635845 /nfs/dbraw/zinc/63/58/45/582635845.db2.gz TZJVRPBHHHSJOM-VIFPVBQESA-N 3 1 193.294 0.582 20 0 ACADMP C[NH2+]CCC[NH2+]C[C@]1(C)CCC[NH2+]C1 904353259 582635848 /nfs/dbraw/zinc/63/58/48/582635848.db2.gz KGQLAPNAUNOBJJ-LLVKDONJSA-N 3 1 199.342 0.575 20 0 ACADMP [NH3+]CC1CC([NH2+]C[C@H]2CCCC[NH2+]2)C1 904353782 582635852 /nfs/dbraw/zinc/63/58/52/582635852.db2.gz QYOGZYUYGQNIRN-HSOILSAZSA-N 3 1 197.326 0.455 20 0 ACADMP [NH3+]CC1CC(NC[C@H]2CCCC[NH2+]2)C1 904353782 582635853 /nfs/dbraw/zinc/63/58/53/582635853.db2.gz QYOGZYUYGQNIRN-HSOILSAZSA-N 2 1 197.326 0.455 20 0 ACADMP [NH3+]CC1CC([NH2+]C[C@@H]2CCCC[NH2+]2)C1 904353783 582635894 /nfs/dbraw/zinc/63/58/94/582635894.db2.gz QYOGZYUYGQNIRN-YVNMAJEFSA-N 3 1 197.326 0.455 20 0 ACADMP [NH3+]CC1CC(NC[C@@H]2CCCC[NH2+]2)C1 904353783 582635895 /nfs/dbraw/zinc/63/58/95/582635895.db2.gz QYOGZYUYGQNIRN-YVNMAJEFSA-N 2 1 197.326 0.455 20 0 ACADMP [NH3+]CC1CC([NH2+][C@@H]2CCC[NH2+]C2)C1 904353638 582635900 /nfs/dbraw/zinc/63/59/00/582635900.db2.gz POABYEKPRLNNAW-HWOCKDDLSA-N 3 1 183.299 0.065 20 0 ACADMP [NH3+]CC1CC(N[C@@H]2CCC[NH2+]C2)C1 904353638 582635902 /nfs/dbraw/zinc/63/59/02/582635902.db2.gz POABYEKPRLNNAW-HWOCKDDLSA-N 2 1 183.299 0.065 20 0 ACADMP C[C@@H](CC[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 904354572 582636048 /nfs/dbraw/zinc/63/60/48/582636048.db2.gz CYYPRDGBNYWSLH-WDEREUQCSA-N 3 1 199.342 0.703 20 0 ACADMP C[C@H](C[NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 904353642 582636076 /nfs/dbraw/zinc/63/60/76/582636076.db2.gz PTCUVGMLAYSBJE-MNOVXSKESA-N 3 1 199.342 0.561 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+]C[C@]1(C)CCC[NH2+]C1 904353644 582636086 /nfs/dbraw/zinc/63/60/86/582636086.db2.gz PTCUVGMLAYSBJE-WDEREUQCSA-N 3 1 199.342 0.561 20 0 ACADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CC(C[NH3+])C1 904353009 582636091 /nfs/dbraw/zinc/63/60/91/582636091.db2.gz GBDBDNYLWHQPKC-VQXHTEKXSA-N 3 1 199.342 0.687 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+]C[C@@]1(C)CCC[NH2+]C1 904353643 582636131 /nfs/dbraw/zinc/63/61/31/582636131.db2.gz PTCUVGMLAYSBJE-QWRGUYRKSA-N 3 1 199.342 0.561 20 0 ACADMP C[NH2+]CCC[NH2+]C[C@@]1(C)CCC[NH2+]C1 904353260 582636180 /nfs/dbraw/zinc/63/61/80/582636180.db2.gz KGQLAPNAUNOBJJ-NSHDSACASA-N 3 1 199.342 0.575 20 0 ACADMP NC1(C[NH2+]C2CC(C[NH3+])C2)CCC1 904352777 582636202 /nfs/dbraw/zinc/63/62/02/582636202.db2.gz ALDGCMMZEIOWMU-UHFFFAOYSA-N 2 1 183.299 0.195 20 0 ACADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CC(C[NH3+])C1 904353008 582636290 /nfs/dbraw/zinc/63/62/90/582636290.db2.gz GBDBDNYLWHQPKC-ILDUYXDCSA-N 3 1 199.342 0.687 20 0 ACADMP [NH3+]CC1CC([NH2+][C@H]2CCC[NH2+]C2)C1 904353639 582636358 /nfs/dbraw/zinc/63/63/58/582636358.db2.gz POABYEKPRLNNAW-KYHHOPLUSA-N 3 1 183.299 0.065 20 0 ACADMP [NH3+]CC1CC(N[C@H]2CCC[NH2+]C2)C1 904353639 582636360 /nfs/dbraw/zinc/63/63/60/582636360.db2.gz POABYEKPRLNNAW-KYHHOPLUSA-N 2 1 183.299 0.065 20 0 ACADMP C[C@H](CC[NH3+])[NH2+]C[C@]1(C)CCC[NH2+]C1 904354569 582636364 /nfs/dbraw/zinc/63/63/64/582636364.db2.gz CYYPRDGBNYWSLH-GHMZBOCLSA-N 3 1 199.342 0.703 20 0 ACADMP CC[NH2+][C@H](C)CNC1CC(C[NH3+])C1 904354564 582636487 /nfs/dbraw/zinc/63/64/87/582636487.db2.gz CVUQAURLUUTFQT-XNWIYYODSA-N 2 1 185.315 0.311 20 0 ACADMP CCN[C@H](C)C[NH2+]C1CC(C[NH3+])C1 904354564 582636488 /nfs/dbraw/zinc/63/64/88/582636488.db2.gz CVUQAURLUUTFQT-XNWIYYODSA-N 2 1 185.315 0.311 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](CC[NH3+])C1 904406071 582636638 /nfs/dbraw/zinc/63/66/38/582636638.db2.gz OPXSIHWXABSHPN-SECBINFHSA-N 3 1 185.315 0.394 20 0 ACADMP CC(C)(N)C[N@@H+]1CC[C@@H](CC[NH3+])C1 904406071 582636639 /nfs/dbraw/zinc/63/66/39/582636639.db2.gz OPXSIHWXABSHPN-SECBINFHSA-N 2 1 185.315 0.394 20 0 ACADMP CC(C)(N)C[N@H+]1CC[C@@H](CC[NH3+])C1 904406071 582636641 /nfs/dbraw/zinc/63/66/41/582636641.db2.gz OPXSIHWXABSHPN-SECBINFHSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 904373289 582636751 /nfs/dbraw/zinc/63/67/51/582636751.db2.gz ODXIXVCZJFWSFO-MMWGEVLESA-N 3 1 197.326 0.454 20 0 ACADMP N[C@@H]1CCCC[C@H]1[NH2+]C1CC(C[NH3+])C1 904374785 582636764 /nfs/dbraw/zinc/63/67/64/582636764.db2.gz XAYRXVFQJAKOTN-JPPWEJMLSA-N 2 1 197.326 0.583 20 0 ACADMP NC1(C[NH2+]C2CC(C[NH3+])C2)CCCC1 904376556 582636897 /nfs/dbraw/zinc/63/68/97/582636897.db2.gz BTTPKYVERJGLFU-UHFFFAOYSA-N 2 1 197.326 0.585 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@H](CC[NH3+])C1 904406072 582637265 /nfs/dbraw/zinc/63/72/65/582637265.db2.gz OPXSIHWXABSHPN-VIFPVBQESA-N 3 1 185.315 0.394 20 0 ACADMP CC(C)(N)C[N@@H+]1CC[C@H](CC[NH3+])C1 904406072 582637268 /nfs/dbraw/zinc/63/72/68/582637268.db2.gz OPXSIHWXABSHPN-VIFPVBQESA-N 2 1 185.315 0.394 20 0 ACADMP CC(C)(N)C[N@H+]1CC[C@H](CC[NH3+])C1 904406072 582637272 /nfs/dbraw/zinc/63/72/72/582637272.db2.gz OPXSIHWXABSHPN-VIFPVBQESA-N 2 1 185.315 0.394 20 0 ACADMP C[C@H]1C[C@H](C[NH2+]CC2(N)CC2)CC[NH2+]1 904442054 582638069 /nfs/dbraw/zinc/63/80/69/582638069.db2.gz CKWUKNIFTKSINZ-VHSXEESVSA-N 2 1 197.326 0.455 20 0 ACADMP C[C@@H]1C[C@@H](C[NH2+]CC2(N)CC2)CC[NH2+]1 904442055 582638216 /nfs/dbraw/zinc/63/82/16/582638216.db2.gz CKWUKNIFTKSINZ-ZJUUUORDSA-N 2 1 197.326 0.455 20 0 ACADMP Cn1ccc(C[NH2+]CC2([NH3+])CC2)c1 904443162 582638276 /nfs/dbraw/zinc/63/82/76/582638276.db2.gz HWMFHZGBZUICHZ-UHFFFAOYSA-N 2 1 179.267 0.606 20 0 ACADMP C[C@H]1C[C@@H](C[NH2+]CC2(N)CC2)CC[NH2+]1 904442051 582638500 /nfs/dbraw/zinc/63/85/00/582638500.db2.gz CKWUKNIFTKSINZ-UWVGGRQHSA-N 2 1 197.326 0.455 20 0 ACADMP [NH3+]C1(C[NH2+]CC[C@H]2CCOC2)CC1 904443552 582638565 /nfs/dbraw/zinc/63/85/65/582638565.db2.gz LOYMXALBPYCYBC-VIFPVBQESA-N 2 1 184.283 0.494 20 0 ACADMP [NH3+]C1(C[NH2+]CC[C@@H]2CCOC2)CC1 904443551 582638578 /nfs/dbraw/zinc/63/85/78/582638578.db2.gz LOYMXALBPYCYBC-SECBINFHSA-N 2 1 184.283 0.494 20 0 ACADMP C[C@@H]1C[C@H](C[NH2+]CC2(N)CC2)CC[NH2+]1 904442043 582638617 /nfs/dbraw/zinc/63/86/17/582638617.db2.gz CKWUKNIFTKSINZ-NXEZZACHSA-N 2 1 197.326 0.455 20 0 ACADMP CC(C)(C)[NH2+]CC[NH2+]CCCON 904458538 582639250 /nfs/dbraw/zinc/63/92/50/582639250.db2.gz YNXJWQFUXMJMQC-UHFFFAOYSA-N 2 1 189.303 0.245 20 0 ACADMP NC1(C[NH2+]CC2CC[NH2+]CC2)CC1 904450506 582639504 /nfs/dbraw/zinc/63/95/04/582639504.db2.gz RGAQYFUAMQXAOG-UHFFFAOYSA-N 2 1 183.299 0.067 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CC[N@H+](C)C1 906503969 582657151 /nfs/dbraw/zinc/65/71/51/582657151.db2.gz YOCYKDOICTXZKU-IVZWLZJFSA-N 2 1 185.315 0.406 20 0 ACADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 906517323 582655934 /nfs/dbraw/zinc/65/59/34/582655934.db2.gz MNIQARRTIJYEGG-XYPYZODXSA-N 2 1 191.278 0.969 20 0 ACADMP Cc1ccncc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906516719 582656017 /nfs/dbraw/zinc/65/60/17/582656017.db2.gz ITCGZVZRGQQNMY-XYPYZODXSA-N 2 1 191.278 0.969 20 0 ACADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)nc1 906516680 582656068 /nfs/dbraw/zinc/65/60/68/582656068.db2.gz HBFHVAIPZXKPHO-HOMQSWHASA-N 2 1 191.278 0.969 20 0 ACADMP Cc1nn(C)cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906517749 582656120 /nfs/dbraw/zinc/65/61/20/582656120.db2.gz OTRVUPCKOGVTJL-MGCOHNPYSA-N 2 1 194.282 0.308 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)N[C@H]1CC[N@H+](C)C1 906503961 582656888 /nfs/dbraw/zinc/65/68/88/582656888.db2.gz YOCYKDOICTXZKU-AEJSXWLSSA-N 2 1 185.315 0.406 20 0 ACADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cncs2)C1 906516708 582656167 /nfs/dbraw/zinc/65/61/67/582656167.db2.gz IHVRTISPPFXMQY-LJGSYFOKSA-N 2 1 183.280 0.722 20 0 ACADMP CCn1nccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906516681 582656174 /nfs/dbraw/zinc/65/61/74/582656174.db2.gz HCYLODULCSIWQU-KYZUINATSA-N 2 1 194.282 0.482 20 0 ACADMP Nc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 906517544 582656244 /nfs/dbraw/zinc/65/62/44/582656244.db2.gz GRZMFHUXHCHLTC-IZLXSQMJSA-N 2 1 198.295 0.305 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@H+](C)C1 906503968 582656861 /nfs/dbraw/zinc/65/68/61/582656861.db2.gz YOCYKDOICTXZKU-GUBZILKMSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1CC[N@@H+](C)C1 906503968 582656862 /nfs/dbraw/zinc/65/68/62/582656862.db2.gz YOCYKDOICTXZKU-GUBZILKMSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)N[C@H]1CC[N@@H+](C)C1 906503961 582656889 /nfs/dbraw/zinc/65/68/89/582656889.db2.gz YOCYKDOICTXZKU-AEJSXWLSSA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@H+](C)C1 906503971 582656969 /nfs/dbraw/zinc/65/69/69/582656969.db2.gz YOCYKDOICTXZKU-LPEHRKFASA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[N@@H+](C)C1 906503971 582656973 /nfs/dbraw/zinc/65/69/73/582656973.db2.gz YOCYKDOICTXZKU-LPEHRKFASA-N 2 1 185.315 0.406 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)N[C@@H]1CC[N@@H+](C)C1 906503969 582657155 /nfs/dbraw/zinc/65/71/55/582657155.db2.gz YOCYKDOICTXZKU-IVZWLZJFSA-N 2 1 185.315 0.406 20 0 ACADMP C1C[NH+](CCC2CC[NH2+]CC2)CCN1 157616348 582662452 /nfs/dbraw/zinc/66/24/52/582662452.db2.gz MXTMUSBXYDAXEK-UHFFFAOYSA-N 2 1 197.326 0.281 20 0 ACADMP CC[C@@H](C[NH3+])[C@]1(O)CCC[N@@H+](C)C1 134370256 582669028 /nfs/dbraw/zinc/66/90/28/582669028.db2.gz BGTBOIHCGZFBRG-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP CC[C@H](C[NH3+])[C@@]1(O)CCC[N@@H+](C)C1 134370320 582669184 /nfs/dbraw/zinc/66/91/84/582669184.db2.gz BGTBOIHCGZFBRG-NXEZZACHSA-N 2 1 186.299 0.428 20 0 ACADMP CC[C@H](C[NH3+])[C@]1(O)CCC[N@@H+](C)C1 134370278 582669248 /nfs/dbraw/zinc/66/92/48/582669248.db2.gz BGTBOIHCGZFBRG-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP CC[C@@H](C[NH3+])[C@@]1(O)CCC[N@@H+](C)C1 134370296 582669319 /nfs/dbraw/zinc/66/93/19/582669319.db2.gz BGTBOIHCGZFBRG-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cccc(F)c1 203883658 582708855 /nfs/dbraw/zinc/70/88/55/582708855.db2.gz BDSRFYPQRNNZAU-VHSXEESVSA-N 2 1 180.226 0.840 20 0 ACADMP C[NH+](C)C[C@H](O)C[NH2+]C1CCCC1 37873242 582710609 /nfs/dbraw/zinc/71/06/09/582710609.db2.gz GTZDFXRYKMATNU-SNVBAGLBSA-N 2 1 186.299 0.441 20 0 ACADMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCCC1 37873243 582711389 /nfs/dbraw/zinc/71/13/89/582711389.db2.gz GTZDFXRYKMATNU-JTQLQIEISA-N 2 1 186.299 0.441 20 0 ACADMP CC[NH+](CC)CCC[N@H+](C)CCO 196210161 582713557 /nfs/dbraw/zinc/71/35/57/582713557.db2.gz OVUUGYDLTURAAG-UHFFFAOYSA-N 2 1 188.315 0.642 20 0 ACADMP CC[NH+](CC)CCC[N@@H+](C)CCO 196210161 582713558 /nfs/dbraw/zinc/71/35/58/582713558.db2.gz OVUUGYDLTURAAG-UHFFFAOYSA-N 2 1 188.315 0.642 20 0 ACADMP C[C@@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 817890739 582998828 /nfs/dbraw/zinc/99/88/28/582998828.db2.gz YHAMOKPROKKQKM-VWYCJHECSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 817890736 582998865 /nfs/dbraw/zinc/99/88/65/582998865.db2.gz YHAMOKPROKKQKM-GMTAPVOTSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H](N[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 817890738 582999030 /nfs/dbraw/zinc/99/90/30/582999030.db2.gz YHAMOKPROKKQKM-OUAUKWLOSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 817890737 582999114 /nfs/dbraw/zinc/99/91/14/582999114.db2.gz YHAMOKPROKKQKM-MXWKQRLJSA-N 2 1 197.326 0.421 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]1C1CC1 817952458 582999870 /nfs/dbraw/zinc/99/98/70/582999870.db2.gz QGXYBPDYTCOBOX-VHSXEESVSA-N 2 1 168.284 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H]1C1CC1 817952460 583000440 /nfs/dbraw/zinc/00/04/40/583000440.db2.gz QGXYBPDYTCOBOX-ZJUUUORDSA-N 2 1 168.284 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CC[C@H]1C1CC1 817952457 583000709 /nfs/dbraw/zinc/00/07/09/583000709.db2.gz QGXYBPDYTCOBOX-UWVGGRQHSA-N 2 1 168.284 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C1CC1 817952456 583000715 /nfs/dbraw/zinc/00/07/15/583000715.db2.gz QGXYBPDYTCOBOX-NXEZZACHSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C)CCC[NH3+] 817971554 583000920 /nfs/dbraw/zinc/00/09/20/583000920.db2.gz OFAOLJPFEQMHDU-OUAUKWLOSA-N 3 1 199.342 0.844 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[NH2+][C@@H]1C 817971552 583001130 /nfs/dbraw/zinc/00/11/30/583001130.db2.gz OFAOLJPFEQMHDU-MXWKQRLJSA-N 3 1 199.342 0.844 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] 817971555 583001482 /nfs/dbraw/zinc/00/14/82/583001482.db2.gz OFAOLJPFEQMHDU-VWYCJHECSA-N 3 1 199.342 0.844 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[NH2+][C@@H]1C 817971551 583001867 /nfs/dbraw/zinc/00/18/67/583001867.db2.gz OFAOLJPFEQMHDU-GMTAPVOTSA-N 3 1 199.342 0.844 20 0 ACADMP CCC(CC)C[N@H+](CC[NH3+])CCO 841059287 583112166 /nfs/dbraw/zinc/11/21/66/583112166.db2.gz PIRRAAOZWLJBAQ-UHFFFAOYSA-N 2 1 188.315 0.676 20 0 ACADMP CCC(CC)C[N@@H+](CC[NH3+])CCO 841059287 583112167 /nfs/dbraw/zinc/11/21/67/583112167.db2.gz PIRRAAOZWLJBAQ-UHFFFAOYSA-N 2 1 188.315 0.676 20 0 ACADMP C[C@@H]1C[NH2+][C@H]2C[NH2+]C[C@H]2C1 104708922 583122285 /nfs/dbraw/zinc/12/22/85/583122285.db2.gz RZCTVHVCNKXEJK-RNJXMRFFSA-N 2 1 140.230 0.204 20 0 ACADMP COCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 842477597 583123289 /nfs/dbraw/zinc/12/32/89/583123289.db2.gz YLLAXDSYGHIENO-LLVKDONJSA-N 2 1 198.310 0.851 20 0 ACADMP COCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 842477597 583123292 /nfs/dbraw/zinc/12/32/92/583123292.db2.gz YLLAXDSYGHIENO-LLVKDONJSA-N 2 1 198.310 0.851 20 0 ACADMP COCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 842477598 583123442 /nfs/dbraw/zinc/12/34/42/583123442.db2.gz YLLAXDSYGHIENO-NSHDSACASA-N 2 1 198.310 0.851 20 0 ACADMP COCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 842477598 583123443 /nfs/dbraw/zinc/12/34/43/583123443.db2.gz YLLAXDSYGHIENO-NSHDSACASA-N 2 1 198.310 0.851 20 0 ACADMP C[N@H+](CCN)CCCCCCC[NH3+] 842479033 583123506 /nfs/dbraw/zinc/12/35/06/583123506.db2.gz NZLAEHFOOOOCKI-UHFFFAOYSA-N 2 1 187.331 0.786 20 0 ACADMP C[N@@H+](CCN)CCCCCCC[NH3+] 842479033 583123507 /nfs/dbraw/zinc/12/35/07/583123507.db2.gz NZLAEHFOOOOCKI-UHFFFAOYSA-N 2 1 187.331 0.786 20 0 ACADMP C[N@H+](CC[NH3+])CCCCCCC[NH3+] 842479033 583123509 /nfs/dbraw/zinc/12/35/09/583123509.db2.gz NZLAEHFOOOOCKI-UHFFFAOYSA-N 3 1 187.331 0.786 20 0 ACADMP C[N@@H+](CC[NH3+])CCCCCCC[NH3+] 842479033 583123510 /nfs/dbraw/zinc/12/35/10/583123510.db2.gz NZLAEHFOOOOCKI-UHFFFAOYSA-N 3 1 187.331 0.786 20 0 ACADMP C[NH2+]CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 843057710 583131381 /nfs/dbraw/zinc/13/13/81/583131381.db2.gz RMJNALFHCWXHBK-GHMZBOCLSA-N 3 1 199.342 0.526 20 0 ACADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 843057710 583131382 /nfs/dbraw/zinc/13/13/82/583131382.db2.gz RMJNALFHCWXHBK-GHMZBOCLSA-N 3 1 199.342 0.526 20 0 ACADMP C[N@@H+](CCC[NH3+])C1CCC([NH3+])CC1 843054729 583131428 /nfs/dbraw/zinc/13/14/28/583131428.db2.gz DKYZKNULUDDDBD-UHFFFAOYSA-N 2 1 185.315 0.537 20 0 ACADMP C[NH2+]CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 843057711 583131463 /nfs/dbraw/zinc/13/14/63/583131463.db2.gz RMJNALFHCWXHBK-MNOVXSKESA-N 3 1 199.342 0.526 20 0 ACADMP C[NH2+]CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 843057711 583131466 /nfs/dbraw/zinc/13/14/66/583131466.db2.gz RMJNALFHCWXHBK-MNOVXSKESA-N 3 1 199.342 0.526 20 0 ACADMP C[NH2+]CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 843057712 583131603 /nfs/dbraw/zinc/13/16/03/583131603.db2.gz RMJNALFHCWXHBK-QWRGUYRKSA-N 3 1 199.342 0.526 20 0 ACADMP C[NH2+]CC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 843057712 583131607 /nfs/dbraw/zinc/13/16/07/583131607.db2.gz RMJNALFHCWXHBK-QWRGUYRKSA-N 3 1 199.342 0.526 20 0 ACADMP C[NH2+]CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 843057713 583131695 /nfs/dbraw/zinc/13/16/95/583131695.db2.gz RMJNALFHCWXHBK-WDEREUQCSA-N 3 1 199.342 0.526 20 0 ACADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 843057713 583131696 /nfs/dbraw/zinc/13/16/96/583131696.db2.gz RMJNALFHCWXHBK-WDEREUQCSA-N 3 1 199.342 0.526 20 0 ACADMP N[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 843344558 583131913 /nfs/dbraw/zinc/13/19/13/583131913.db2.gz LCZYBNJVFVROQC-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP N[C@@H]1CC[N@@H+](CCCCCCC[NH3+])C1 843344558 583131915 /nfs/dbraw/zinc/13/19/15/583131915.db2.gz LCZYBNJVFVROQC-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 843344558 583131916 /nfs/dbraw/zinc/13/19/16/583131916.db2.gz LCZYBNJVFVROQC-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H]([NH3+])C1 843344558 583131917 /nfs/dbraw/zinc/13/19/17/583131917.db2.gz LCZYBNJVFVROQC-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCC[NH2+][C@H]1CCC[NH2+]C1 843128457 583131974 /nfs/dbraw/zinc/13/19/74/583131974.db2.gz JTCAMATZJRIXPH-NSHDSACASA-N 3 1 199.342 0.847 20 0 ACADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 843126740 583132008 /nfs/dbraw/zinc/13/20/08/583132008.db2.gz VYEFAQMKESCMKN-XWLWVQCSSA-N 3 1 197.326 0.311 20 0 ACADMP [NH3+]CCCCCC[NH2+][C@H]1CC[NH2+]C1 843128670 583132018 /nfs/dbraw/zinc/13/20/18/583132018.db2.gz KRTCZGDCOVTUPA-JTQLQIEISA-N 3 1 185.315 0.457 20 0 ACADMP N[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 843346483 583132165 /nfs/dbraw/zinc/13/21/65/583132165.db2.gz LCZYBNJVFVROQC-NSHDSACASA-N 3 1 199.342 0.929 20 0 ACADMP N[C@H]1CC[N@@H+](CCCCCCC[NH3+])C1 843346483 583132167 /nfs/dbraw/zinc/13/21/67/583132167.db2.gz LCZYBNJVFVROQC-NSHDSACASA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCCC[N@@H+]1CC[C@H]([NH3+])C1 843346483 583132168 /nfs/dbraw/zinc/13/21/68/583132168.db2.gz LCZYBNJVFVROQC-NSHDSACASA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCCC[N@H+]1CC[C@H]([NH3+])C1 843346483 583132170 /nfs/dbraw/zinc/13/21/70/583132170.db2.gz LCZYBNJVFVROQC-NSHDSACASA-N 3 1 199.342 0.929 20 0 ACADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 843126738 583132186 /nfs/dbraw/zinc/13/21/86/583132186.db2.gz VYEFAQMKESCMKN-LNFKQOIKSA-N 3 1 197.326 0.311 20 0 ACADMP [NH3+]CCCCCC[NH2+][C@@H]1CCC[NH2+]C1 843128440 583132228 /nfs/dbraw/zinc/13/22/28/583132228.db2.gz JTCAMATZJRIXPH-LLVKDONJSA-N 3 1 199.342 0.847 20 0 ACADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 843126741 583132256 /nfs/dbraw/zinc/13/22/56/583132256.db2.gz VYEFAQMKESCMKN-ZRUFSTJUSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 843126739 583132375 /nfs/dbraw/zinc/13/23/75/583132375.db2.gz VYEFAQMKESCMKN-UKKRHICBSA-N 3 1 197.326 0.311 20 0 ACADMP CCC[N@H+](C)Cc1nc(CC[NH3+])no1 843131817 583132270 /nfs/dbraw/zinc/13/22/70/583132270.db2.gz TWHFBYRYBVWOOD-UHFFFAOYSA-N 2 1 198.270 0.413 20 0 ACADMP CCC[N@@H+](C)Cc1nc(CC[NH3+])no1 843131817 583132272 /nfs/dbraw/zinc/13/22/72/583132272.db2.gz TWHFBYRYBVWOOD-UHFFFAOYSA-N 2 1 198.270 0.413 20 0 ACADMP [NH3+]C1C[C@@H]2CC[C@H](C1)C2NC1C[NH2+]C1 843126142 583132298 /nfs/dbraw/zinc/13/22/98/583132298.db2.gz NNTZYZJEDYIYQF-REMFIFCHSA-N 2 1 195.310 0.064 20 0 ACADMP [NH3+]CCCCCC[NH2+][C@@H]1CC[NH2+]C1 843128673 583132319 /nfs/dbraw/zinc/13/23/19/583132319.db2.gz KRTCZGDCOVTUPA-SNVBAGLBSA-N 3 1 185.315 0.457 20 0 ACADMP CC(C)(N)C[NH2+]CCCCCC[NH3+] 843126879 583132500 /nfs/dbraw/zinc/13/25/00/583132500.db2.gz KMYLFPWSIIZUHM-UHFFFAOYSA-N 2 1 187.331 0.832 20 0 ACADMP CC[C@@](C)(CC(=O)OC)[NH2+]CC[NH3+] 843390127 583133255 /nfs/dbraw/zinc/13/32/55/583133255.db2.gz LRYFTMDPQOTUOQ-VIFPVBQESA-N 2 1 188.271 0.267 20 0 ACADMP CC[C@](C)(CC(=O)OC)[NH2+]CC[NH3+] 843390125 583133296 /nfs/dbraw/zinc/13/32/96/583133296.db2.gz LRYFTMDPQOTUOQ-SECBINFHSA-N 2 1 188.271 0.267 20 0 ACADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1[NH3+] 846221111 583154085 /nfs/dbraw/zinc/15/40/85/583154085.db2.gz SPPISBBFDCDSAG-GHMZBOCLSA-N 3 1 199.342 0.785 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CCCCCC[NH3+] 846217712 583152842 /nfs/dbraw/zinc/15/28/42/583152842.db2.gz MPVUWOGAFABWRS-JTQLQIEISA-N 2 1 187.331 0.785 20 0 ACADMP C[C@@H](C[NH3+])N(C)CCCCCC[NH3+] 846217712 583152844 /nfs/dbraw/zinc/15/28/44/583152844.db2.gz MPVUWOGAFABWRS-JTQLQIEISA-N 2 1 187.331 0.785 20 0 ACADMP C[C@H]1C[N@H+](CCCCCC[NH3+])CCN1 846217415 583152915 /nfs/dbraw/zinc/15/29/15/583152915.db2.gz GYNRVEFJFRHZPM-NSHDSACASA-N 2 1 199.342 0.799 20 0 ACADMP C[C@H]1C[N@@H+](CCCCCC[NH3+])CCN1 846217415 583152917 /nfs/dbraw/zinc/15/29/17/583152917.db2.gz GYNRVEFJFRHZPM-NSHDSACASA-N 2 1 199.342 0.799 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CC[C@H](C[NH3+])C1 846217416 583152938 /nfs/dbraw/zinc/15/29/38/583152938.db2.gz HAUJJXCXCSXFPV-LLVKDONJSA-N 3 1 199.342 0.786 20 0 ACADMP N[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 846213845 583152958 /nfs/dbraw/zinc/15/29/58/583152958.db2.gz DBCVUMIVLBKMIM-SNVBAGLBSA-N 2 1 185.315 0.539 20 0 ACADMP N[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 846213845 583152963 /nfs/dbraw/zinc/15/29/63/583152963.db2.gz DBCVUMIVLBKMIM-SNVBAGLBSA-N 2 1 185.315 0.539 20 0 ACADMP [NH3+]CCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 846213845 583152968 /nfs/dbraw/zinc/15/29/68/583152968.db2.gz DBCVUMIVLBKMIM-SNVBAGLBSA-N 3 1 185.315 0.539 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]([NH3+])C1 846213845 583152970 /nfs/dbraw/zinc/15/29/70/583152970.db2.gz DBCVUMIVLBKMIM-SNVBAGLBSA-N 3 1 185.315 0.539 20 0 ACADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])CCN1 846217414 583153041 /nfs/dbraw/zinc/15/30/41/583153041.db2.gz GYNRVEFJFRHZPM-LLVKDONJSA-N 2 1 199.342 0.799 20 0 ACADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])CCN1 846217414 583153042 /nfs/dbraw/zinc/15/30/42/583153042.db2.gz GYNRVEFJFRHZPM-LLVKDONJSA-N 2 1 199.342 0.799 20 0 ACADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 846213161 583153051 /nfs/dbraw/zinc/15/30/51/583153051.db2.gz CCQISYIZMNBVSI-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]([NH3+])C1 846213161 583153052 /nfs/dbraw/zinc/15/30/52/583153052.db2.gz CCQISYIZMNBVSI-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP C[C@H]1CNCC[N@@H+]1CCCCCC[NH3+] 846216385 583153104 /nfs/dbraw/zinc/15/31/04/583153104.db2.gz RCZLAAALHCHORN-NSHDSACASA-N 2 1 199.342 0.799 20 0 ACADMP C[C@H]1CNCC[N@H+]1CCCCCC[NH3+] 846216385 583153105 /nfs/dbraw/zinc/15/31/05/583153105.db2.gz RCZLAAALHCHORN-NSHDSACASA-N 2 1 199.342 0.799 20 0 ACADMP C[C@H](CN)[N@@H+](C)CCCCCC[NH3+] 846217713 583153131 /nfs/dbraw/zinc/15/31/31/583153131.db2.gz MPVUWOGAFABWRS-SNVBAGLBSA-N 2 1 187.331 0.785 20 0 ACADMP C[C@H](C[NH3+])N(C)CCCCCC[NH3+] 846217713 583153132 /nfs/dbraw/zinc/15/31/32/583153132.db2.gz MPVUWOGAFABWRS-SNVBAGLBSA-N 2 1 187.331 0.785 20 0 ACADMP C[C@@H]1CNCC[N@@H+]1CCCCCC[NH3+] 846216383 583153326 /nfs/dbraw/zinc/15/33/26/583153326.db2.gz RCZLAAALHCHORN-LLVKDONJSA-N 2 1 199.342 0.799 20 0 ACADMP C[C@@H]1CNCC[N@H+]1CCCCCC[NH3+] 846216383 583153328 /nfs/dbraw/zinc/15/33/28/583153328.db2.gz RCZLAAALHCHORN-LLVKDONJSA-N 2 1 199.342 0.799 20 0 ACADMP NC[C@H]1CCC[N@H+]1CCCCCC[NH3+] 846217206 583153340 /nfs/dbraw/zinc/15/33/40/583153340.db2.gz CQIBMMRAUGVWMT-LLVKDONJSA-N 2 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] 846217206 583153342 /nfs/dbraw/zinc/15/33/42/583153342.db2.gz CQIBMMRAUGVWMT-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H]1C[NH3+] 846217206 583153343 /nfs/dbraw/zinc/15/33/43/583153343.db2.gz CQIBMMRAUGVWMT-LLVKDONJSA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 846217418 583153373 /nfs/dbraw/zinc/15/33/73/583153373.db2.gz HAUJJXCXCSXFPV-NSHDSACASA-N 3 1 199.342 0.786 20 0 ACADMP [NH3+]CCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 846213164 583153444 /nfs/dbraw/zinc/15/34/44/583153444.db2.gz CCQISYIZMNBVSI-NSHDSACASA-N 3 1 199.342 0.929 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CCC[C@H]([NH3+])C1 846213164 583153446 /nfs/dbraw/zinc/15/34/46/583153446.db2.gz CCQISYIZMNBVSI-NSHDSACASA-N 3 1 199.342 0.929 20 0 ACADMP N[C@H]1CC[N@H+](CCCCCC[NH3+])C1 846217212 583153490 /nfs/dbraw/zinc/15/34/90/583153490.db2.gz DBCVUMIVLBKMIM-JTQLQIEISA-N 2 1 185.315 0.539 20 0 ACADMP N[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 846217212 583153492 /nfs/dbraw/zinc/15/34/92/583153492.db2.gz DBCVUMIVLBKMIM-JTQLQIEISA-N 2 1 185.315 0.539 20 0 ACADMP [NH3+]CCCCCC[N@@H+]1CC[C@H]([NH3+])C1 846217212 583153495 /nfs/dbraw/zinc/15/34/95/583153495.db2.gz DBCVUMIVLBKMIM-JTQLQIEISA-N 3 1 185.315 0.539 20 0 ACADMP [NH3+]CCCCCC[N@H+]1CC[C@H]([NH3+])C1 846217212 583153497 /nfs/dbraw/zinc/15/34/97/583153497.db2.gz DBCVUMIVLBKMIM-JTQLQIEISA-N 3 1 185.315 0.539 20 0 ACADMP NC1(C[NH2+]CCCCCC[NH3+])CCC1 846220030 583153713 /nfs/dbraw/zinc/15/37/13/583153713.db2.gz JSXKMNUUMCYNBO-UHFFFAOYSA-N 2 1 199.342 0.977 20 0 ACADMP C[N@@H+](CCCCCC[NH3+])C1CC([NH3+])C1 846220151 583154023 /nfs/dbraw/zinc/15/40/23/583154023.db2.gz DSQQNBSLQBYCGX-UHFFFAOYSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@@H]1CN(CCCCCC[NH3+])C[C@H]1[NH3+] 846221111 583154087 /nfs/dbraw/zinc/15/40/87/583154087.db2.gz SPPISBBFDCDSAG-GHMZBOCLSA-N 2 1 199.342 0.785 20 0 ACADMP C[C@@H]1C[N@H+](CCCCCC[NH3+])C[C@H]1N 846221111 583154089 /nfs/dbraw/zinc/15/40/89/583154089.db2.gz SPPISBBFDCDSAG-GHMZBOCLSA-N 2 1 199.342 0.785 20 0 ACADMP C[C@@H]1C[N@@H+](CCCCCC[NH3+])C[C@H]1N 846221111 583154092 /nfs/dbraw/zinc/15/40/92/583154092.db2.gz SPPISBBFDCDSAG-GHMZBOCLSA-N 2 1 199.342 0.785 20 0 ACADMP Cc1[nH+]ccn1CCNC(=[NH2+])N(C)C 849000216 583173016 /nfs/dbraw/zinc/17/30/16/583173016.db2.gz YPKVIQSPOIEMSA-UHFFFAOYSA-N 2 1 195.270 0.277 20 0 ACADMP C[N@@H+](CCNC(=[NH2+])N1CCC1)C1CC1 848997629 583173187 /nfs/dbraw/zinc/17/31/87/583173187.db2.gz VMSINUGHJXSNAP-UHFFFAOYSA-N 2 1 196.298 0.311 20 0 ACADMP C[C@@H]1CCCC[N@@H+]1[C@H](C)CNC(N)=[NH2+] 848986912 583170726 /nfs/dbraw/zinc/17/07/26/583170726.db2.gz KSXLGWFCVLIBCO-RKDXNWHRSA-N 2 1 198.314 0.732 20 0 ACADMP CNC(=[NH2+])NCCCn1cc[nH+]c1C 848987737 583170859 /nfs/dbraw/zinc/17/08/59/583170859.db2.gz WJAPMQPXUYANDF-UHFFFAOYSA-N 2 1 195.270 0.325 20 0 ACADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C 848980940 583170997 /nfs/dbraw/zinc/17/09/97/583170997.db2.gz LNSDEULSCQQJOZ-VIFPVBQESA-N 2 1 198.314 0.557 20 0 ACADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)C 848980938 583171283 /nfs/dbraw/zinc/17/12/83/583171283.db2.gz LNSDEULSCQQJOZ-SECBINFHSA-N 2 1 198.314 0.557 20 0 ACADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 848992543 583172038 /nfs/dbraw/zinc/17/20/38/583172038.db2.gz HUDBPRUPUPYRCG-SECBINFHSA-N 2 1 198.314 0.414 20 0 ACADMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 848992544 583172308 /nfs/dbraw/zinc/17/23/08/583172308.db2.gz HUDBPRUPUPYRCG-VIFPVBQESA-N 2 1 198.314 0.414 20 0 ACADMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCC2)C1 848992755 583172319 /nfs/dbraw/zinc/17/23/19/583172319.db2.gz SHCZMTFFHYZSNE-SECBINFHSA-N 2 1 196.298 0.168 20 0 ACADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCC2)C1 848992756 583172493 /nfs/dbraw/zinc/17/24/93/583172493.db2.gz SHCZMTFFHYZSNE-VIFPVBQESA-N 2 1 196.298 0.168 20 0 ACADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N(C)C 849001058 583172862 /nfs/dbraw/zinc/17/28/62/583172862.db2.gz XCXIWPNYJXDCGE-UHFFFAOYSA-N 2 1 186.303 0.413 20 0 ACADMP C[C@H](CNC(=[NH2+])NC1CCC1)[NH+](C)C 848996606 583172952 /nfs/dbraw/zinc/17/29/52/583172952.db2.gz KDHMFPZWEUDYCL-MRVPVSSYSA-N 2 1 198.314 0.603 20 0 ACADMP C[C@@H](CNC(=[NH2+])N1CCC1)[NH+](C)C 848996624 583172980 /nfs/dbraw/zinc/17/29/80/583172980.db2.gz KUBPXLKFCLGTCT-QMMMGPOBSA-N 2 1 184.287 0.167 20 0 ACADMP C[C@@H](CNC(=[NH2+])NC1CCC1)[NH+](C)C 848996607 583173065 /nfs/dbraw/zinc/17/30/65/583173065.db2.gz KDHMFPZWEUDYCL-QMMMGPOBSA-N 2 1 198.314 0.603 20 0 ACADMP C[N@H+](CCNC(=[NH2+])N1CCC1)C1CC1 848997629 583173185 /nfs/dbraw/zinc/17/31/85/583173185.db2.gz VMSINUGHJXSNAP-UHFFFAOYSA-N 2 1 196.298 0.311 20 0 ACADMP CN(C)C(=[NH2+])NCC[N@H+](C)C1CC1 848997369 583173219 /nfs/dbraw/zinc/17/32/19/583173219.db2.gz CGMCKEKCECLTKG-UHFFFAOYSA-N 2 1 184.287 0.167 20 0 ACADMP CN(C)C(=[NH2+])NCC[N@@H+](C)C1CC1 848997369 583173223 /nfs/dbraw/zinc/17/32/23/583173223.db2.gz CGMCKEKCECLTKG-UHFFFAOYSA-N 2 1 184.287 0.167 20 0 ACADMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCC1 849001036 583173260 /nfs/dbraw/zinc/17/32/60/583173260.db2.gz QNVABSNYZNLQEJ-UHFFFAOYSA-N 2 1 198.314 0.557 20 0 ACADMP C[C@H](CNC(=[NH2+])N1CCC1)[NH+](C)C 848996623 583173273 /nfs/dbraw/zinc/17/32/73/583173273.db2.gz KUBPXLKFCLGTCT-MRVPVSSYSA-N 2 1 184.287 0.167 20 0 ACADMP CC[N@H+](CCNC(=[NH2+])N(C)C)C1CC1 849001053 583173282 /nfs/dbraw/zinc/17/32/82/583173282.db2.gz VVDLBKPKDXYRBN-UHFFFAOYSA-N 2 1 198.314 0.557 20 0 ACADMP CC[N@@H+](CCNC(=[NH2+])N(C)C)C1CC1 849001053 583173283 /nfs/dbraw/zinc/17/32/83/583173283.db2.gz VVDLBKPKDXYRBN-UHFFFAOYSA-N 2 1 198.314 0.557 20 0 ACADMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC 849005958 583173546 /nfs/dbraw/zinc/17/35/46/583173546.db2.gz FTOGDRWPNATQER-SECBINFHSA-N 2 1 198.314 0.605 20 0 ACADMP CCCC[N@@H+](C)CCNC(=[NH2+])NC 849005830 583173591 /nfs/dbraw/zinc/17/35/91/583173591.db2.gz UZGACZGFNQPQGS-UHFFFAOYSA-N 2 1 186.303 0.462 20 0 ACADMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC 849005959 583173904 /nfs/dbraw/zinc/17/39/04/583173904.db2.gz FTOGDRWPNATQER-VIFPVBQESA-N 2 1 198.314 0.605 20 0 ACADMP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 849005508 583173949 /nfs/dbraw/zinc/17/39/49/583173949.db2.gz XDBBJUGHCKZPJC-SECBINFHSA-N 2 1 198.314 0.414 20 0 ACADMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 849005511 583174033 /nfs/dbraw/zinc/17/40/33/583174033.db2.gz XDBBJUGHCKZPJC-VIFPVBQESA-N 2 1 198.314 0.414 20 0 ACADMP Cc1[nH+]ccn1CCCCNC(N)=[NH2+] 849009677 583174354 /nfs/dbraw/zinc/17/43/54/583174354.db2.gz UNLKQPUKELMSAV-UHFFFAOYSA-N 2 1 195.270 0.455 20 0 ACADMP CC(C)C[N@H+]1CC[C@H](CNC(N)=[NH2+])C1 849012721 583174490 /nfs/dbraw/zinc/17/44/90/583174490.db2.gz VKGFESVVYBABDU-SECBINFHSA-N 2 1 198.314 0.447 20 0 ACADMP CC(C)C[N@H+]1CC[C@@H](CNC(N)=[NH2+])C1 849012722 583174506 /nfs/dbraw/zinc/17/45/06/583174506.db2.gz VKGFESVVYBABDU-VIFPVBQESA-N 2 1 198.314 0.447 20 0 ACADMP CCCCNC(=[NH2+])NCC[NH+]1CCC1 849014676 583174900 /nfs/dbraw/zinc/17/49/00/583174900.db2.gz OFOXEHKELJJOTH-UHFFFAOYSA-N 2 1 198.314 0.606 20 0 ACADMP CC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC1 849014669 583175115 /nfs/dbraw/zinc/17/51/15/583175115.db2.gz MLLFUMXAYYVRIB-VIFPVBQESA-N 2 1 198.314 0.605 20 0 ACADMP CC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC1 849014668 583174982 /nfs/dbraw/zinc/17/49/82/583174982.db2.gz MLLFUMXAYYVRIB-SECBINFHSA-N 2 1 198.314 0.605 20 0 ACADMP [NH2+]=C(NCC[NH+]1CCC1)NC1CCC1 849014651 583175298 /nfs/dbraw/zinc/17/52/98/583175298.db2.gz JNIYVENSBGRANU-UHFFFAOYSA-N 2 1 196.298 0.359 20 0 ACADMP NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 849023013 583176240 /nfs/dbraw/zinc/17/62/40/583176240.db2.gz FGROZTSORGWBJK-VIFPVBQESA-N 2 1 196.298 0.486 20 0 ACADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(N)=[NH2+] 849023939 583176392 /nfs/dbraw/zinc/17/63/92/583176392.db2.gz MWFIKPHXGVCCRV-QMMMGPOBSA-N 2 1 198.314 0.590 20 0 ACADMP NC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 849023012 583176410 /nfs/dbraw/zinc/17/64/10/583176410.db2.gz FGROZTSORGWBJK-SECBINFHSA-N 2 1 196.298 0.486 20 0 ACADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(N)=[NH2+] 849023938 583176469 /nfs/dbraw/zinc/17/64/69/583176469.db2.gz MWFIKPHXGVCCRV-MRVPVSSYSA-N 2 1 198.314 0.590 20 0 ACADMP CCC[N@H+]1CCC[C@H]1CNC(N)=[NH2+] 849027916 583177027 /nfs/dbraw/zinc/17/70/27/583177027.db2.gz RAEDYBMZSAOYCH-QMMMGPOBSA-N 2 1 184.287 0.344 20 0 ACADMP CNC(=[NH2+])NCC[N@H+]1CCCC1(C)C 849039361 583178291 /nfs/dbraw/zinc/17/82/91/583178291.db2.gz UJUAGDAMWUKBPP-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP C[N@H+]1CCC[C@@H](CCNC(N)=[NH2+])C1 849041119 583178300 /nfs/dbraw/zinc/17/83/00/583178300.db2.gz KSDHFYDHKQRWDE-QMMMGPOBSA-N 2 1 184.287 0.201 20 0 ACADMP CN(C)C(=[NH2+])NCC1([NH+](C)C)CC1 849043013 583178394 /nfs/dbraw/zinc/17/83/94/583178394.db2.gz CMFWDDIDEYTYIF-UHFFFAOYSA-N 2 1 184.287 0.167 20 0 ACADMP C[NH+](C)C1(CNC(=[NH2+])N2CCC2)CC1 849043236 583178400 /nfs/dbraw/zinc/17/84/00/583178400.db2.gz JPWYDQXEWHMOHD-UHFFFAOYSA-N 2 1 196.298 0.311 20 0 ACADMP CNC(=[NH2+])NCC[C@H]1CCC[N@@H+](C)C1 849041049 583178456 /nfs/dbraw/zinc/17/84/56/583178456.db2.gz IQTCODBCJZNVKV-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP CNC(=[NH2+])NCCCC[N@@H+](C)C1CC1 849039802 583178439 /nfs/dbraw/zinc/17/84/39/583178439.db2.gz SSRKPJGFHKGMQU-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP CNC(=[NH2+])NCC[C@@H]1CCC[N@@H+](C)C1 849041050 583178448 /nfs/dbraw/zinc/17/84/48/583178448.db2.gz IQTCODBCJZNVKV-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP C[N@H+]1CCC[C@H](CCNC(N)=[NH2+])C1 849041118 583178478 /nfs/dbraw/zinc/17/84/78/583178478.db2.gz KSDHFYDHKQRWDE-MRVPVSSYSA-N 2 1 184.287 0.201 20 0 ACADMP C[N@@H+](CCCCNC(N)=[NH2+])C1CC1 849039499 583178589 /nfs/dbraw/zinc/17/85/89/583178589.db2.gz BPABKOWASONKBF-UHFFFAOYSA-N 2 1 184.287 0.344 20 0 ACADMP [NH3+]CC[N@H+](CCO)CC1CC=CC1 852746142 583211079 /nfs/dbraw/zinc/21/10/79/583211079.db2.gz DXLYZLSZSNSTHM-UHFFFAOYSA-N 2 1 184.283 0.206 20 0 ACADMP [NH3+]CC[N@@H+](CCO)CC1CC=CC1 852746142 583211082 /nfs/dbraw/zinc/21/10/82/583211082.db2.gz DXLYZLSZSNSTHM-UHFFFAOYSA-N 2 1 184.283 0.206 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ncc[nH]1 857254064 583263155 /nfs/dbraw/zinc/26/31/55/583263155.db2.gz XCIPVSSBPNWGDP-YUMQZZPRSA-N 2 1 182.271 0.798 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)c1ncc[nH]1 857254063 583263429 /nfs/dbraw/zinc/26/34/29/583263429.db2.gz XCIPVSSBPNWGDP-JGVFFNPUSA-N 2 1 182.271 0.798 20 0 ACADMP CC[N@@H+](CCN)CCCCCC[NH3+] 863551808 583310586 /nfs/dbraw/zinc/31/05/86/583310586.db2.gz RHTOZUFSBAUGSG-UHFFFAOYSA-N 2 1 187.331 0.786 20 0 ACADMP CCN(CC[NH3+])CCCCCC[NH3+] 863551808 583310589 /nfs/dbraw/zinc/31/05/89/583310589.db2.gz RHTOZUFSBAUGSG-UHFFFAOYSA-N 2 1 187.331 0.786 20 0 ACADMP C[C@H](N)C[N@@H+](C)CC1CC[NH2+]CC1 863565430 583310684 /nfs/dbraw/zinc/31/06/84/583310684.db2.gz KAMXMPCVNNOPLH-VIFPVBQESA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H]([NH3+])CN(C)CC1CC[NH2+]CC1 863565430 583310686 /nfs/dbraw/zinc/31/06/86/583310686.db2.gz KAMXMPCVNNOPLH-VIFPVBQESA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CCC1CC[NH2+]CC1 863568370 583310827 /nfs/dbraw/zinc/31/08/27/583310827.db2.gz KYGBGGXRYKFOTM-SNVBAGLBSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@@H]([NH3+])CN(C)CCC1CC[NH2+]CC1 863568370 583310830 /nfs/dbraw/zinc/31/08/30/583310830.db2.gz KYGBGGXRYKFOTM-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@H+](C)CCC1CC[NH2+]CC1 863568370 583310831 /nfs/dbraw/zinc/31/08/31/583310831.db2.gz KYGBGGXRYKFOTM-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CCC1CC[NH2+]CC1 863568370 583310833 /nfs/dbraw/zinc/31/08/33/583310833.db2.gz KYGBGGXRYKFOTM-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CC1CC[NH2+]CC1 863565429 583310963 /nfs/dbraw/zinc/31/09/63/583310963.db2.gz KAMXMPCVNNOPLH-SECBINFHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H]([NH3+])CN(C)CC1CC[NH2+]CC1 863565429 583310965 /nfs/dbraw/zinc/31/09/65/583310965.db2.gz KAMXMPCVNNOPLH-SECBINFHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CCC1CC[NH2+]CC1 863568369 583311348 /nfs/dbraw/zinc/31/13/48/583311348.db2.gz KYGBGGXRYKFOTM-JTQLQIEISA-N 3 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])CN(C)CCC1CC[NH2+]CC1 863568369 583311350 /nfs/dbraw/zinc/31/13/50/583311350.db2.gz KYGBGGXRYKFOTM-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@H+](C)CCC1CC[NH2+]CC1 863568369 583311352 /nfs/dbraw/zinc/31/13/52/583311352.db2.gz KYGBGGXRYKFOTM-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@@H+](C)CCC1CC[NH2+]CC1 863568369 583311354 /nfs/dbraw/zinc/31/13/54/583311354.db2.gz KYGBGGXRYKFOTM-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCC[NH3+] 863569646 583311692 /nfs/dbraw/zinc/31/16/92/583311692.db2.gz ZBNIKWYAXGSKRV-JTQLQIEISA-N 3 1 187.331 0.785 20 0 ACADMP C[C@H]([NH3+])CN(C)CCCCCC[NH3+] 863569646 583311694 /nfs/dbraw/zinc/31/16/94/583311694.db2.gz ZBNIKWYAXGSKRV-JTQLQIEISA-N 2 1 187.331 0.785 20 0 ACADMP C[C@H](N)C[N@H+](C)CCCCCC[NH3+] 863569646 583311696 /nfs/dbraw/zinc/31/16/96/583311696.db2.gz ZBNIKWYAXGSKRV-JTQLQIEISA-N 2 1 187.331 0.785 20 0 ACADMP C[C@H](N)C[N@@H+](C)CCCCCC[NH3+] 863569646 583311697 /nfs/dbraw/zinc/31/16/97/583311697.db2.gz ZBNIKWYAXGSKRV-JTQLQIEISA-N 2 1 187.331 0.785 20 0 ACADMP C[C@H](N)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 863651754 583311713 /nfs/dbraw/zinc/31/17/13/583311713.db2.gz LSLZYOJSQCQGOP-GARJFASQSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 863651754 583311715 /nfs/dbraw/zinc/31/17/15/583311715.db2.gz LSLZYOJSQCQGOP-GARJFASQSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H](N)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 863651755 583311821 /nfs/dbraw/zinc/31/18/21/583311821.db2.gz LSLZYOJSQCQGOP-HBNTYKKESA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 863651755 583311826 /nfs/dbraw/zinc/31/18/26/583311826.db2.gz LSLZYOJSQCQGOP-HBNTYKKESA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H](N)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 863651752 583311835 /nfs/dbraw/zinc/31/18/35/583311835.db2.gz LSLZYOJSQCQGOP-DCAQKATOSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 863651752 583311839 /nfs/dbraw/zinc/31/18/39/583311839.db2.gz LSLZYOJSQCQGOP-DCAQKATOSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 863569817 583312090 /nfs/dbraw/zinc/31/20/90/583312090.db2.gz QARAMCBOJSMWMT-GHMZBOCLSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@@H]([NH3+])CN(C)CC[C@H]1CCC[NH2+]C1 863569817 583312092 /nfs/dbraw/zinc/31/20/92/583312092.db2.gz QARAMCBOJSMWMT-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 863569817 583312094 /nfs/dbraw/zinc/31/20/94/583312094.db2.gz QARAMCBOJSMWMT-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 863569817 583312096 /nfs/dbraw/zinc/31/20/96/583312096.db2.gz QARAMCBOJSMWMT-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CC[NH2+]C1 863569633 583312118 /nfs/dbraw/zinc/31/21/18/583312118.db2.gz YXHGFKGKQLHGRQ-VHSXEESVSA-N 3 1 185.315 0.265 20 0 ACADMP C[C@H]([NH3+])CN(C)CC[C@H]1CC[NH2+]C1 863569633 583312120 /nfs/dbraw/zinc/31/21/20/583312120.db2.gz YXHGFKGKQLHGRQ-VHSXEESVSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](N)C[N@H+](C)CC[C@H]1CC[NH2+]C1 863569633 583312122 /nfs/dbraw/zinc/31/21/22/583312122.db2.gz YXHGFKGKQLHGRQ-VHSXEESVSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](N)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 863569633 583312124 /nfs/dbraw/zinc/31/21/24/583312124.db2.gz YXHGFKGKQLHGRQ-VHSXEESVSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CC[NH2+]C1 863569630 583312150 /nfs/dbraw/zinc/31/21/50/583312150.db2.gz YXHGFKGKQLHGRQ-NXEZZACHSA-N 3 1 185.315 0.265 20 0 ACADMP C[C@@H]([NH3+])CN(C)CC[C@H]1CC[NH2+]C1 863569630 583312151 /nfs/dbraw/zinc/31/21/51/583312151.db2.gz YXHGFKGKQLHGRQ-NXEZZACHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](N)C[N@H+](C)CC[C@H]1CC[NH2+]C1 863569630 583312152 /nfs/dbraw/zinc/31/21/52/583312152.db2.gz YXHGFKGKQLHGRQ-NXEZZACHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 863569630 583312153 /nfs/dbraw/zinc/31/21/53/583312153.db2.gz YXHGFKGKQLHGRQ-NXEZZACHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 863569820 583312170 /nfs/dbraw/zinc/31/21/70/583312170.db2.gz QARAMCBOJSMWMT-WDEREUQCSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])CN(C)CC[C@H]1CCC[NH2+]C1 863569820 583312171 /nfs/dbraw/zinc/31/21/71/583312171.db2.gz QARAMCBOJSMWMT-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@H+](C)CC[C@H]1CCC[NH2+]C1 863569820 583312172 /nfs/dbraw/zinc/31/21/72/583312172.db2.gz QARAMCBOJSMWMT-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 863569820 583312173 /nfs/dbraw/zinc/31/21/73/583312173.db2.gz QARAMCBOJSMWMT-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 863651750 583312211 /nfs/dbraw/zinc/31/22/11/583312211.db2.gz LSLZYOJSQCQGOP-AXFHLTTASA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@H]1CC[NH2+][C@H](C)C1 863651750 583312213 /nfs/dbraw/zinc/31/22/13/583312213.db2.gz LSLZYOJSQCQGOP-AXFHLTTASA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H](C[NH3+])[NH2+]Cc1ccn(C)c1 863642123 583312243 /nfs/dbraw/zinc/31/22/43/583312243.db2.gz RFTIJVNYRLUGFO-QMMMGPOBSA-N 2 1 167.256 0.462 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 863569819 583312271 /nfs/dbraw/zinc/31/22/71/583312271.db2.gz QARAMCBOJSMWMT-QWRGUYRKSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])CN(C)CC[C@@H]1CCC[NH2+]C1 863569819 583312272 /nfs/dbraw/zinc/31/22/72/583312272.db2.gz QARAMCBOJSMWMT-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 863569819 583312273 /nfs/dbraw/zinc/31/22/73/583312273.db2.gz QARAMCBOJSMWMT-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](N)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 863569819 583312275 /nfs/dbraw/zinc/31/22/75/583312275.db2.gz QARAMCBOJSMWMT-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 863569631 583312290 /nfs/dbraw/zinc/31/22/90/583312290.db2.gz YXHGFKGKQLHGRQ-UWVGGRQHSA-N 3 1 185.315 0.265 20 0 ACADMP C[C@H]([NH3+])CN(C)CC[C@@H]1CC[NH2+]C1 863569631 583312295 /nfs/dbraw/zinc/31/22/95/583312295.db2.gz YXHGFKGKQLHGRQ-UWVGGRQHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](N)C[N@H+](C)CC[C@@H]1CC[NH2+]C1 863569631 583312296 /nfs/dbraw/zinc/31/22/96/583312296.db2.gz YXHGFKGKQLHGRQ-UWVGGRQHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](N)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 863569631 583312299 /nfs/dbraw/zinc/31/22/99/583312299.db2.gz YXHGFKGKQLHGRQ-UWVGGRQHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCC[NH3+] 863569647 583312306 /nfs/dbraw/zinc/31/23/06/583312306.db2.gz ZBNIKWYAXGSKRV-SNVBAGLBSA-N 3 1 187.331 0.785 20 0 ACADMP C[C@@H]([NH3+])CN(C)CCCCCC[NH3+] 863569647 583312309 /nfs/dbraw/zinc/31/23/09/583312309.db2.gz ZBNIKWYAXGSKRV-SNVBAGLBSA-N 2 1 187.331 0.785 20 0 ACADMP C[C@@H](N)C[N@H+](C)CCCCCC[NH3+] 863569647 583312313 /nfs/dbraw/zinc/31/23/13/583312313.db2.gz ZBNIKWYAXGSKRV-SNVBAGLBSA-N 2 1 187.331 0.785 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CCCCCC[NH3+] 863569647 583312315 /nfs/dbraw/zinc/31/23/15/583312315.db2.gz ZBNIKWYAXGSKRV-SNVBAGLBSA-N 2 1 187.331 0.785 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 863569818 583312376 /nfs/dbraw/zinc/31/23/76/583312376.db2.gz QARAMCBOJSMWMT-MNOVXSKESA-N 3 1 199.342 0.655 20 0 ACADMP C[C@@H]([NH3+])CN(C)CC[C@@H]1CCC[NH2+]C1 863569818 583312377 /nfs/dbraw/zinc/31/23/77/583312377.db2.gz QARAMCBOJSMWMT-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@H+](C)CC[C@@H]1CCC[NH2+]C1 863569818 583312382 /nfs/dbraw/zinc/31/23/82/583312382.db2.gz QARAMCBOJSMWMT-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 863569818 583312384 /nfs/dbraw/zinc/31/23/84/583312384.db2.gz QARAMCBOJSMWMT-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 863569635 583312513 /nfs/dbraw/zinc/31/25/13/583312513.db2.gz YXHGFKGKQLHGRQ-ZJUUUORDSA-N 3 1 185.315 0.265 20 0 ACADMP C[C@@H]([NH3+])CN(C)CC[C@@H]1CC[NH2+]C1 863569635 583312515 /nfs/dbraw/zinc/31/25/15/583312515.db2.gz YXHGFKGKQLHGRQ-ZJUUUORDSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](N)C[N@H+](C)CC[C@@H]1CC[NH2+]C1 863569635 583312517 /nfs/dbraw/zinc/31/25/17/583312517.db2.gz YXHGFKGKQLHGRQ-ZJUUUORDSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](N)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 863569635 583312519 /nfs/dbraw/zinc/31/25/19/583312519.db2.gz YXHGFKGKQLHGRQ-ZJUUUORDSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCO[C@@H]1C 866668053 583332050 /nfs/dbraw/zinc/33/20/50/583332050.db2.gz HWRBIMKWLOLUQK-IVZWLZJFSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@@H]1C[C@@H](N)C[N@H+]1CCCCCC[NH3+] 866682952 583332063 /nfs/dbraw/zinc/33/20/63/583332063.db2.gz OSMKXSRZTNYFCP-GHMZBOCLSA-N 2 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCC[NH3+] 866682952 583332066 /nfs/dbraw/zinc/33/20/66/583332066.db2.gz OSMKXSRZTNYFCP-GHMZBOCLSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCC[NH3+] 866682952 583332069 /nfs/dbraw/zinc/33/20/69/583332069.db2.gz OSMKXSRZTNYFCP-GHMZBOCLSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])CN1CCCCCC[NH3+] 866682952 583332072 /nfs/dbraw/zinc/33/20/72/583332072.db2.gz OSMKXSRZTNYFCP-GHMZBOCLSA-N 2 1 199.342 0.927 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCO[C@@H]1C 866668051 583332176 /nfs/dbraw/zinc/33/21/76/583332176.db2.gz HWRBIMKWLOLUQK-AEJSXWLSSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCO[C@H]1C 866668054 583332398 /nfs/dbraw/zinc/33/23/98/583332398.db2.gz HWRBIMKWLOLUQK-LPEHRKFASA-N 2 1 186.299 0.690 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCO[C@H]1C 866668052 583332450 /nfs/dbraw/zinc/33/24/50/583332450.db2.gz HWRBIMKWLOLUQK-GUBZILKMSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@H]1C[C@@H](N)C[N@H+]1CCCCCC[NH3+] 866682960 583332457 /nfs/dbraw/zinc/33/24/57/583332457.db2.gz OSMKXSRZTNYFCP-WDEREUQCSA-N 2 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCC[NH3+] 866682960 583332459 /nfs/dbraw/zinc/33/24/59/583332459.db2.gz OSMKXSRZTNYFCP-WDEREUQCSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])CN1CCCCCC[NH3+] 866682960 583332463 /nfs/dbraw/zinc/33/24/63/583332463.db2.gz OSMKXSRZTNYFCP-WDEREUQCSA-N 2 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCC[NH3+] 866682960 583332461 /nfs/dbraw/zinc/33/24/61/583332461.db2.gz OSMKXSRZTNYFCP-WDEREUQCSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@H](N)C[N@H+]1CCCCCC[NH3+] 866682957 583332617 /nfs/dbraw/zinc/33/26/17/583332617.db2.gz OSMKXSRZTNYFCP-MNOVXSKESA-N 2 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCC[NH3+] 866682957 583332620 /nfs/dbraw/zinc/33/26/20/583332620.db2.gz OSMKXSRZTNYFCP-MNOVXSKESA-N 3 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCCC[NH3+] 866682957 583332623 /nfs/dbraw/zinc/33/26/23/583332623.db2.gz OSMKXSRZTNYFCP-MNOVXSKESA-N 3 1 199.342 0.927 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])CN1CCCCCC[NH3+] 866682957 583332626 /nfs/dbraw/zinc/33/26/26/583332626.db2.gz OSMKXSRZTNYFCP-MNOVXSKESA-N 2 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@H](N)C[N@H+]1CCCCCC[NH3+] 866682959 583332843 /nfs/dbraw/zinc/33/28/43/583332843.db2.gz OSMKXSRZTNYFCP-QWRGUYRKSA-N 2 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCC[NH3+] 866682959 583332848 /nfs/dbraw/zinc/33/28/48/583332848.db2.gz OSMKXSRZTNYFCP-QWRGUYRKSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCCC[NH3+] 866682959 583332852 /nfs/dbraw/zinc/33/28/52/583332852.db2.gz OSMKXSRZTNYFCP-QWRGUYRKSA-N 3 1 199.342 0.927 20 0 ACADMP C[C@H]1C[C@H]([NH3+])CN1CCCCCC[NH3+] 866682959 583332856 /nfs/dbraw/zinc/33/28/56/583332856.db2.gz OSMKXSRZTNYFCP-QWRGUYRKSA-N 2 1 199.342 0.927 20 0 ACADMP C[C@H](NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 873255345 583371867 /nfs/dbraw/zinc/37/18/67/583371867.db2.gz GMQBJXXQANQFAV-XWLWVQCSSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 873255639 583371958 /nfs/dbraw/zinc/37/19/58/583371958.db2.gz ITTRUBUSMJTNIN-DBIOUOCHSA-N 3 1 197.326 0.311 20 0 ACADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@H]([NH3+])C2)CC1 873257437 583371994 /nfs/dbraw/zinc/37/19/94/583371994.db2.gz HOWSEVMVPOGBCC-MGCOHNPYSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 873255641 583372034 /nfs/dbraw/zinc/37/20/34/583372034.db2.gz ITTRUBUSMJTNIN-NAKRPEOUSA-N 3 1 197.326 0.311 20 0 ACADMP C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 873255582 583372088 /nfs/dbraw/zinc/37/20/88/583372088.db2.gz HOWSEVMVPOGBCC-AOOOYVTPSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 873255342 583372103 /nfs/dbraw/zinc/37/21/03/583372103.db2.gz GMQBJXXQANQFAV-DBIOUOCHSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@H](NC[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 873255344 583372155 /nfs/dbraw/zinc/37/21/55/583372155.db2.gz GMQBJXXQANQFAV-NAKRPEOUSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CCC[NH2+]1 873255343 583372163 /nfs/dbraw/zinc/37/21/63/583372163.db2.gz GMQBJXXQANQFAV-GWOFURMSSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 873255640 583372175 /nfs/dbraw/zinc/37/21/75/583372175.db2.gz ITTRUBUSMJTNIN-GWOFURMSSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 873255642 583372191 /nfs/dbraw/zinc/37/21/91/583372191.db2.gz ITTRUBUSMJTNIN-XWLWVQCSSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 873295910 583373653 /nfs/dbraw/zinc/37/36/53/583373653.db2.gz BCAMSFOYTRRLJO-DBIOUOCHSA-N 2 1 198.310 0.345 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 873295914 583373783 /nfs/dbraw/zinc/37/37/83/583373783.db2.gz BCAMSFOYTRRLJO-GWOFURMSSA-N 2 1 198.310 0.345 20 0 ACADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 873295915 583374234 /nfs/dbraw/zinc/37/42/34/583374234.db2.gz BCAMSFOYTRRLJO-NAKRPEOUSA-N 2 1 198.310 0.345 20 0 ACADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 873295916 583374429 /nfs/dbraw/zinc/37/44/29/583374429.db2.gz BCAMSFOYTRRLJO-XWLWVQCSSA-N 2 1 198.310 0.345 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](OC)C1 211702603 583445967 /nfs/dbraw/zinc/44/59/67/583445967.db2.gz YMLROBHQSNXDOQ-SECBINFHSA-N 2 1 172.272 0.317 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCCF 886881286 583503651 /nfs/dbraw/zinc/50/36/51/583503651.db2.gz XTPDDSBLFCGCBW-VIFPVBQESA-N 2 1 192.278 0.248 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCCF 886881285 583503912 /nfs/dbraw/zinc/50/39/12/583503912.db2.gz XTPDDSBLFCGCBW-SECBINFHSA-N 2 1 192.278 0.248 20 0 ACADMP CCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 221888223 583506898 /nfs/dbraw/zinc/50/68/98/583506898.db2.gz WNYANTCYXFYHDE-MRVPVSSYSA-N 2 1 198.314 0.603 20 0 ACADMP CCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 221888283 583507384 /nfs/dbraw/zinc/50/73/84/583507384.db2.gz WNYANTCYXFYHDE-QMMMGPOBSA-N 2 1 198.314 0.603 20 0 ACADMP CCC[N@@H+](CC)CCNC(=[NH2+])NC 222238648 583507657 /nfs/dbraw/zinc/50/76/57/583507657.db2.gz BQVYUFNVCUYCFR-UHFFFAOYSA-N 2 1 186.303 0.462 20 0 ACADMP CCC[N@@H+](CC)CCNC(N)=[NH2+] 222238808 583507700 /nfs/dbraw/zinc/50/77/00/583507700.db2.gz RJHBTFSRFWVCLS-UHFFFAOYSA-N 2 1 172.276 0.201 20 0 ACADMP CCNC(=[NH2+])NCC[N@@H+](CC)C1CC1 221887336 583507741 /nfs/dbraw/zinc/50/77/41/583507741.db2.gz DLROWIPGCDGJHW-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1[NH3+] 300050004 583509165 /nfs/dbraw/zinc/50/91/65/583509165.db2.gz WIQCNXZKTLVSQW-OUAUKWLOSA-N 2 1 198.310 0.692 20 0 ACADMP C[NH2+]CC[NH2+]C1CCCC1 40408847 490014625 /nfs/dbraw/zinc/01/46/25/490014625.db2.gz ONQBPUBVOSIZNN-UHFFFAOYSA-N 2 1 142.246 0.738 20 0 ACADMP C[NH2+]CCC[N@@H+](CCO)C1CC1 42480620 490015130 /nfs/dbraw/zinc/01/51/30/490015130.db2.gz RXPBKHLCBSRMJK-UHFFFAOYSA-N 2 1 172.272 0.053 20 0 ACADMP Cn1cc(C[N@H+](C)CCC[NH3+])cn1 42488604 490015164 /nfs/dbraw/zinc/01/51/64/490015164.db2.gz ZXTGJPYSGIEQTF-UHFFFAOYSA-N 2 1 182.271 0.201 20 0 ACADMP Cn1cc(C[N@@H+](C)CCC[NH3+])cn1 42488604 490015166 /nfs/dbraw/zinc/01/51/66/490015166.db2.gz ZXTGJPYSGIEQTF-UHFFFAOYSA-N 2 1 182.271 0.201 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@@H](O)C1 42470361 490015176 /nfs/dbraw/zinc/01/51/76/490015176.db2.gz RTCGSULMSNXCDO-SECBINFHSA-N 2 1 172.272 0.053 20 0 ACADMP CCCC[N@@H+](CCO)CCC[NH3+] 42492026 490015249 /nfs/dbraw/zinc/01/52/49/490015249.db2.gz RNOJTOADPYOJLQ-UHFFFAOYSA-N 2 1 174.288 0.430 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@H](O)C1 42470358 490015295 /nfs/dbraw/zinc/01/52/95/490015295.db2.gz RTCGSULMSNXCDO-VIFPVBQESA-N 2 1 172.272 0.053 20 0 ACADMP C[NH2+]CCC[N@H+](C)CCOC 42460079 490015385 /nfs/dbraw/zinc/01/53/85/490015385.db2.gz PMOBDWNIJICQNW-UHFFFAOYSA-N 2 1 160.261 0.174 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCOC 42460079 490015386 /nfs/dbraw/zinc/01/53/86/490015386.db2.gz PMOBDWNIJICQNW-UHFFFAOYSA-N 2 1 160.261 0.174 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCCO1 61918625 490016529 /nfs/dbraw/zinc/01/65/29/490016529.db2.gz AEINTPQYVXIJOC-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCCO1 61918626 490016547 /nfs/dbraw/zinc/01/65/47/490016547.db2.gz AEINTPQYVXIJOC-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]CCCN1CC[N@@H+](C)C(C)(C)C1 82478046 490025215 /nfs/dbraw/zinc/02/52/15/490025215.db2.gz GTHUZDYJCCDQLE-UHFFFAOYSA-N 2 1 199.342 0.622 20 0 ACADMP C[C@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 82478009 490025248 /nfs/dbraw/zinc/02/52/48/490025248.db2.gz ZYWRBCDLCVPRNL-VIFPVBQESA-N 2 1 185.315 0.360 20 0 ACADMP C[N@H+]1CCN(CCC[NH3+])CC1(C)C 82477487 490025263 /nfs/dbraw/zinc/02/52/63/490025263.db2.gz PWKKLKBQLUSSAM-UHFFFAOYSA-N 2 1 185.315 0.361 20 0 ACADMP C[NH2+]CC[NH2+]C1CC(C)C1 123567114 490028589 /nfs/dbraw/zinc/02/85/89/490028589.db2.gz RHJGJOARBCJTAB-UHFFFAOYSA-N 2 1 142.246 0.594 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 126137416 490035866 /nfs/dbraw/zinc/03/58/66/490035866.db2.gz VTGQBTQBKYNELX-GARJFASQSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 126137284 490036147 /nfs/dbraw/zinc/03/61/47/490036147.db2.gz VTGQBTQBKYNELX-HBNTYKKESA-N 2 1 198.310 0.584 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H](C)C1 129346419 490049863 /nfs/dbraw/zinc/04/98/63/490049863.db2.gz ZWADIMIGOOXBJO-BDAKNGLRSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CC[C@H](C)C1 129346641 490050245 /nfs/dbraw/zinc/05/02/45/490050245.db2.gz ZWADIMIGOOXBJO-IUCAKERBSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C1 129346842 490050261 /nfs/dbraw/zinc/05/02/61/490050261.db2.gz ZWADIMIGOOXBJO-RKDXNWHRSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C1 129347043 490050396 /nfs/dbraw/zinc/05/03/96/490050396.db2.gz ZWADIMIGOOXBJO-DTWKUNHWSA-N 2 1 156.273 0.984 20 0 ACADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)CC[N@H+]1C 129449008 490050746 /nfs/dbraw/zinc/05/07/46/490050746.db2.gz FHDXFTMLTYIDBI-AEJSXWLSSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 129448797 490051009 /nfs/dbraw/zinc/05/10/09/490051009.db2.gz FHDXFTMLTYIDBI-BBBLOLIVSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 129448412 490051330 /nfs/dbraw/zinc/05/13/30/490051330.db2.gz FHDXFTMLTYIDBI-OPRDCNLKSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H]1C[C@H]([NH2+]C[C@@H](C)O)CC[N@H+]1C 129448595 490051426 /nfs/dbraw/zinc/05/14/26/490051426.db2.gz FHDXFTMLTYIDBI-IVZWLZJFSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+]CCCO)CC[N@H+]1C 129540040 490051768 /nfs/dbraw/zinc/05/17/68/490051768.db2.gz ONTFEXJMQASZAR-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP COCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 129564927 490051783 /nfs/dbraw/zinc/05/17/83/490051783.db2.gz QLEQBCXJVJFZPE-ZJUUUORDSA-N 2 1 186.299 0.705 20 0 ACADMP C[C@H]1C[C@H]([NH2+]CCCO)CC[N@H+]1C 129539836 490051911 /nfs/dbraw/zinc/05/19/11/490051911.db2.gz ONTFEXJMQASZAR-VHSXEESVSA-N 2 1 186.299 0.441 20 0 ACADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 129564506 490051994 /nfs/dbraw/zinc/05/19/94/490051994.db2.gz QLEQBCXJVJFZPE-NXEZZACHSA-N 2 1 186.299 0.705 20 0 ACADMP COCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 129565181 490052306 /nfs/dbraw/zinc/05/23/06/490052306.db2.gz QLEQBCXJVJFZPE-UWVGGRQHSA-N 2 1 186.299 0.705 20 0 ACADMP C[C@H]1C[C@@H]([NH2+]CCCO)CC[N@H+]1C 129540256 490052472 /nfs/dbraw/zinc/05/24/72/490052472.db2.gz ONTFEXJMQASZAR-UWVGGRQHSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]CCCO)CC[N@H+]1C 129539630 490052505 /nfs/dbraw/zinc/05/25/05/490052505.db2.gz ONTFEXJMQASZAR-NXEZZACHSA-N 2 1 186.299 0.441 20 0 ACADMP COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 129564700 490052543 /nfs/dbraw/zinc/05/25/43/490052543.db2.gz QLEQBCXJVJFZPE-VHSXEESVSA-N 2 1 186.299 0.705 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]CCO)CC[N@H+]1C 129762110 490052876 /nfs/dbraw/zinc/05/28/76/490052876.db2.gz GBMUWCNZHSQITM-RKDXNWHRSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+]CCO)CC[N@H+]1C 129762492 490053207 /nfs/dbraw/zinc/05/32/07/490053207.db2.gz GBMUWCNZHSQITM-BDAKNGLRSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@H]1C[C@H]([NH2+]CCO)CC[N@H+]1C 129762306 490053307 /nfs/dbraw/zinc/05/33/07/490053307.db2.gz GBMUWCNZHSQITM-DTWKUNHWSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@H]1C[C@@H]([NH2+]CCO)CC[N@H+]1C 129762681 490053370 /nfs/dbraw/zinc/05/33/70/490053370.db2.gz GBMUWCNZHSQITM-IUCAKERBSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@@H](C[NH+](C)C)NCc1cncn1C 130082011 490055015 /nfs/dbraw/zinc/05/50/15/490055015.db2.gz RYZWUNHPZOZBFW-VIFPVBQESA-N 2 1 196.298 0.460 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@H](OC)C1 211704624 490066072 /nfs/dbraw/zinc/06/60/72/490066072.db2.gz KLDUMMVIGGXCOY-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@@H](OC)C1 211704706 490066127 /nfs/dbraw/zinc/06/61/27/490066127.db2.gz KLDUMMVIGGXCOY-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](OC)C1 211702517 490066151 /nfs/dbraw/zinc/06/61/51/490066151.db2.gz YMLROBHQSNXDOQ-VIFPVBQESA-N 2 1 172.272 0.317 20 0 ACADMP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] 222057803 490080450 /nfs/dbraw/zinc/08/04/50/490080450.db2.gz GMCWGZMJOMIRJF-YUMQZZPRSA-N 2 1 160.261 0.036 20 0 ACADMP CC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] 222057745 490080706 /nfs/dbraw/zinc/08/07/06/490080706.db2.gz GMCWGZMJOMIRJF-SFYZADRCSA-N 2 1 160.261 0.036 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 300352671 490092555 /nfs/dbraw/zinc/09/25/55/490092555.db2.gz OEGOEQHWQKIYKH-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 300352669 490092587 /nfs/dbraw/zinc/09/25/87/490092587.db2.gz OEGOEQHWQKIYKH-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 300352670 490092659 /nfs/dbraw/zinc/09/26/59/490092659.db2.gz OEGOEQHWQKIYKH-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1[NH3+] 306916157 490127253 /nfs/dbraw/zinc/12/72/53/490127253.db2.gz WWFCFVPLIRQNRY-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@](C[NH3+])([NH2+]C[C@@H]1CCOC1)C1CC1 380152363 490141260 /nfs/dbraw/zinc/14/12/60/490141260.db2.gz AXMHLHNWDWXWHA-ONGXEEELSA-N 2 1 198.310 0.740 20 0 ACADMP C[C@](C[NH3+])([NH2+]C[C@H]1CCOC1)C1CC1 380152362 490141233 /nfs/dbraw/zinc/14/12/33/490141233.db2.gz AXMHLHNWDWXWHA-MWLCHTKSSA-N 2 1 198.310 0.740 20 0 ACADMP C[C@](C[NH3+])([NH2+]C[C@@H]1CCOC1)C1CC1 380152360 490141240 /nfs/dbraw/zinc/14/12/40/490141240.db2.gz AXMHLHNWDWXWHA-GXSJLCMTSA-N 2 1 198.310 0.740 20 0 ACADMP C[C@@](C[NH3+])([NH2+]C[C@H]1CCOC1)C1CC1 380152361 490141247 /nfs/dbraw/zinc/14/12/47/490141247.db2.gz AXMHLHNWDWXWHA-KOLCDFICSA-N 2 1 198.310 0.740 20 0 ACADMP CCO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C[NH3+] 405764975 490150069 /nfs/dbraw/zinc/15/00/69/490150069.db2.gz IEAPDSIRTMCCBD-GHMZBOCLSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@H](CO)C[NH2+]C1CC[NH+](C)CC1 83216493 491023717 /nfs/dbraw/zinc/02/37/17/491023717.db2.gz PBGVSOOEBSBSIK-VIFPVBQESA-N 2 1 186.299 0.299 20 0 ACADMP C[C@@H](CO)C[NH2+]C1CC[NH+](C)CC1 83216495 491023734 /nfs/dbraw/zinc/02/37/34/491023734.db2.gz PBGVSOOEBSBSIK-SECBINFHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[N@H+](CC[NH3+])CC(C)(C)O 83824490 491025326 /nfs/dbraw/zinc/02/53/26/491025326.db2.gz UQWCWIDMAWKPCQ-UHFFFAOYSA-N 2 1 160.261 0.038 20 0 ACADMP CC[N@@H+](CC[NH3+])CC(C)(C)O 83824490 491025327 /nfs/dbraw/zinc/02/53/27/491025327.db2.gz UQWCWIDMAWKPCQ-UHFFFAOYSA-N 2 1 160.261 0.038 20 0 ACADMP CC(C)[NH2+]CCc1c[nH+]cn1C 85169415 491027184 /nfs/dbraw/zinc/02/71/84/491027184.db2.gz WMEWDFYOFKEYBT-UHFFFAOYSA-N 2 1 167.256 0.961 20 0 ACADMP c1coc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)c1 85282144 491027462 /nfs/dbraw/zinc/02/74/62/491027462.db2.gz LFAHCFXYWZJJND-AOOOYVTPSA-N 2 1 192.262 0.931 20 0 ACADMP c1coc(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)c1 85282144 491027463 /nfs/dbraw/zinc/02/74/63/491027463.db2.gz LFAHCFXYWZJJND-AOOOYVTPSA-N 2 1 192.262 0.931 20 0 ACADMP C1COC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282215 491027470 /nfs/dbraw/zinc/02/74/70/491027470.db2.gz MXNZHXREOZAGCF-AXFHLTTASA-N 2 1 196.294 0.317 20 0 ACADMP c1coc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 85282145 491027497 /nfs/dbraw/zinc/02/74/97/491027497.db2.gz LFAHCFXYWZJJND-NXEZZACHSA-N 2 1 192.262 0.931 20 0 ACADMP C1COC[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282216 491027593 /nfs/dbraw/zinc/02/75/93/491027593.db2.gz MXNZHXREOZAGCF-OUAUKWLOSA-N 2 1 196.294 0.317 20 0 ACADMP c1coc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 85282146 491027604 /nfs/dbraw/zinc/02/76/04/491027604.db2.gz LFAHCFXYWZJJND-UWVGGRQHSA-N 2 1 192.262 0.931 20 0 ACADMP CC(C)(O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 86237139 491028809 /nfs/dbraw/zinc/02/88/09/491028809.db2.gz ILSJTULGVFXSIF-AOOOYVTPSA-N 2 1 198.310 0.299 20 0 ACADMP CCOCC[N@@H+](C)CC(C)(C)C[NH3+] 86638146 491029134 /nfs/dbraw/zinc/02/91/34/491029134.db2.gz ABAYVEPSJQWNMG-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP CC1(C)CC[N@@H+](CCOCC[NH3+])C1 87255250 491030057 /nfs/dbraw/zinc/03/00/57/491030057.db2.gz YBVBVGSRYBYZJB-UHFFFAOYSA-N 2 1 186.299 0.694 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCOC1 87416056 491030830 /nfs/dbraw/zinc/03/08/30/491030830.db2.gz VPXOMZWFWAEBHU-SNVBAGLBSA-N 2 1 195.266 0.570 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCOC1 87416057 491030850 /nfs/dbraw/zinc/03/08/50/491030850.db2.gz VPXOMZWFWAEBHU-JTQLQIEISA-N 2 1 195.266 0.570 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 131721106 491035078 /nfs/dbraw/zinc/03/50/78/491035078.db2.gz QPBONRRWOBDJIK-GARJFASQSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 131720937 491035127 /nfs/dbraw/zinc/03/51/27/491035127.db2.gz QPBONRRWOBDJIK-HBNTYKKESA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 131814909 491035356 /nfs/dbraw/zinc/03/53/56/491035356.db2.gz QPBONRRWOBDJIK-GMTAPVOTSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 131815077 491035366 /nfs/dbraw/zinc/03/53/66/491035366.db2.gz QPBONRRWOBDJIK-OUAUKWLOSA-N 2 1 198.310 0.584 20 0 ACADMP C[NH+]1CCC([NH2+]CC2(CO)CC2)CC1 131827020 491035410 /nfs/dbraw/zinc/03/54/10/491035410.db2.gz ZUBVLZOFUJZWGH-UHFFFAOYSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H](C)CO)CC[N@@H+]1C 132611316 491036516 /nfs/dbraw/zinc/03/65/16/491036516.db2.gz MZNKQWXGVSJPJH-UTLUCORTSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H](C)CO)CC[N@H+]1C 132611316 491036517 /nfs/dbraw/zinc/03/65/17/491036517.db2.gz MZNKQWXGVSJPJH-UTLUCORTSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H](C)CO)CC[N@@H+]1C 132610865 491036543 /nfs/dbraw/zinc/03/65/43/491036543.db2.gz MZNKQWXGVSJPJH-KXUCPTDWSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H](C)CO)CC[N@H+]1C 132610865 491036544 /nfs/dbraw/zinc/03/65/44/491036544.db2.gz MZNKQWXGVSJPJH-KXUCPTDWSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 132610678 491036561 /nfs/dbraw/zinc/03/65/61/491036561.db2.gz MZNKQWXGVSJPJH-OPRDCNLKSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 132610678 491036562 /nfs/dbraw/zinc/03/65/62/491036562.db2.gz MZNKQWXGVSJPJH-OPRDCNLKSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 132611099 491036597 /nfs/dbraw/zinc/03/65/97/491036597.db2.gz MZNKQWXGVSJPJH-BBBLOLIVSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 132611099 491036598 /nfs/dbraw/zinc/03/65/98/491036598.db2.gz MZNKQWXGVSJPJH-BBBLOLIVSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 221672610 491040469 /nfs/dbraw/zinc/04/04/69/491040469.db2.gz FHDXFTMLTYIDBI-LPEHRKFASA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 221672669 491040574 /nfs/dbraw/zinc/04/05/74/491040574.db2.gz FHDXFTMLTYIDBI-GUBZILKMSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@H]([NH3+])CN(C)C[C@H]1CCC[N@H+]1C 158486908 491039948 /nfs/dbraw/zinc/03/99/48/491039948.db2.gz KGMYUQGIEZMDGO-VHSXEESVSA-N 2 1 185.315 0.360 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCCOC1 158484087 491039975 /nfs/dbraw/zinc/03/99/75/491039975.db2.gz NALXKZRHALKKRV-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]([NH3+])CN(C)C[C@H]1CCC[N@H+]1C 158487083 491040022 /nfs/dbraw/zinc/04/00/22/491040022.db2.gz KGMYUQGIEZMDGO-NXEZZACHSA-N 2 1 185.315 0.360 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCCOC1 158484251 491040031 /nfs/dbraw/zinc/04/00/31/491040031.db2.gz NALXKZRHALKKRV-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@](C)(O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 229414474 491045289 /nfs/dbraw/zinc/04/52/89/491045289.db2.gz FRVIPQKVPUVSED-AXFHLTTASA-N 2 1 198.310 0.299 20 0 ACADMP CC[C@@](C)(O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 229414463 491045366 /nfs/dbraw/zinc/04/53/66/491045366.db2.gz FRVIPQKVPUVSED-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP CCCCC[N@@H+](CCO)CCC[NH3+] 238242713 491045764 /nfs/dbraw/zinc/04/57/64/491045764.db2.gz JLSQXJSIHHDZLH-UHFFFAOYSA-N 2 1 188.315 0.820 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 250738815 491045816 /nfs/dbraw/zinc/04/58/16/491045816.db2.gz MFYVFUXWWWGCEN-WDEREUQCSA-N 2 1 198.310 0.564 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CCOC1 250760060 491045824 /nfs/dbraw/zinc/04/58/24/491045824.db2.gz REGLROYNZZMBOS-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 250738813 491045835 /nfs/dbraw/zinc/04/58/35/491045835.db2.gz MFYVFUXWWWGCEN-GHMZBOCLSA-N 2 1 198.310 0.564 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CCOC1 250760063 491045844 /nfs/dbraw/zinc/04/58/44/491045844.db2.gz REGLROYNZZMBOS-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1C[N@@H+](CCn2ccnc2)C[C@H]1O 306630464 491054029 /nfs/dbraw/zinc/05/40/29/491054029.db2.gz FHHAQHPELZTTNS-VHSXEESVSA-N 2 1 195.266 0.196 20 0 ACADMP C[C@@H]1C[N@@H+](CCn2ccnc2)C[C@@H]1O 306630465 491054047 /nfs/dbraw/zinc/05/40/47/491054047.db2.gz FHHAQHPELZTTNS-ZJUUUORDSA-N 2 1 195.266 0.196 20 0 ACADMP C[C@@H]1C[N@@H+](CCn2ccnc2)C[C@H]1O 306630462 491054062 /nfs/dbraw/zinc/05/40/62/491054062.db2.gz FHHAQHPELZTTNS-NXEZZACHSA-N 2 1 195.266 0.196 20 0 ACADMP C[C@H]1C[N@@H+](CCn2ccnc2)C[C@@H]1O 306630463 491054176 /nfs/dbraw/zinc/05/41/76/491054176.db2.gz FHHAQHPELZTTNS-UWVGGRQHSA-N 2 1 195.266 0.196 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 307682334 491067404 /nfs/dbraw/zinc/06/74/04/491067404.db2.gz FEFRNPVEBZLCFO-HBNTYKKESA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307682334 491067406 /nfs/dbraw/zinc/06/74/06/491067406.db2.gz FEFRNPVEBZLCFO-HBNTYKKESA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 307682333 491067431 /nfs/dbraw/zinc/06/74/31/491067431.db2.gz FEFRNPVEBZLCFO-GARJFASQSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307682333 491067432 /nfs/dbraw/zinc/06/74/32/491067432.db2.gz FEFRNPVEBZLCFO-GARJFASQSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 307682331 491067505 /nfs/dbraw/zinc/06/75/05/491067505.db2.gz FEFRNPVEBZLCFO-AXFHLTTASA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307682331 491067507 /nfs/dbraw/zinc/06/75/07/491067507.db2.gz FEFRNPVEBZLCFO-AXFHLTTASA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 307682332 491067539 /nfs/dbraw/zinc/06/75/39/491067539.db2.gz FEFRNPVEBZLCFO-DCAQKATOSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307682332 491067540 /nfs/dbraw/zinc/06/75/40/491067540.db2.gz FEFRNPVEBZLCFO-DCAQKATOSA-N 3 1 197.326 0.265 20 0 ACADMP CC[C@H]1[NH2+]CC[C@@H]1c1nc(C[NH3+])no1 307684770 491067720 /nfs/dbraw/zinc/06/77/20/491067720.db2.gz WNEXDMFQVPCRMS-NKWVEPMBSA-N 2 1 196.254 0.384 20 0 ACADMP CC[C@@H]1[NH2+]CC[C@H]1c1nc(C[NH3+])no1 307684772 491067799 /nfs/dbraw/zinc/06/77/99/491067799.db2.gz WNEXDMFQVPCRMS-RQJHMYQMSA-N 2 1 196.254 0.384 20 0 ACADMP CC[C@H]1[NH2+]CC[C@H]1c1nc(C[NH3+])no1 307684771 491067815 /nfs/dbraw/zinc/06/78/15/491067815.db2.gz WNEXDMFQVPCRMS-RNFRBKRXSA-N 2 1 196.254 0.384 20 0 ACADMP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(C[NH3+])no1 307684769 491067849 /nfs/dbraw/zinc/06/78/49/491067849.db2.gz WNEXDMFQVPCRMS-BQBZGAKWSA-N 2 1 196.254 0.384 20 0 ACADMP CC(C)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 308160593 491081751 /nfs/dbraw/zinc/08/17/51/491081751.db2.gz UVHPMFHIAWXDGY-JTQLQIEISA-N 2 1 186.299 0.299 20 0 ACADMP CC(C)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 308160593 491081752 /nfs/dbraw/zinc/08/17/52/491081752.db2.gz UVHPMFHIAWXDGY-JTQLQIEISA-N 2 1 186.299 0.299 20 0 ACADMP CC(C)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 308160594 491081772 /nfs/dbraw/zinc/08/17/72/491081772.db2.gz UVHPMFHIAWXDGY-SNVBAGLBSA-N 2 1 186.299 0.299 20 0 ACADMP CC(C)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 308160594 491081773 /nfs/dbraw/zinc/08/17/73/491081773.db2.gz UVHPMFHIAWXDGY-SNVBAGLBSA-N 2 1 186.299 0.299 20 0 ACADMP CCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 308190111 491083386 /nfs/dbraw/zinc/08/33/86/491083386.db2.gz IUPRNTNHRRKSJR-SNVBAGLBSA-N 2 1 186.299 0.393 20 0 ACADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 308190111 491083387 /nfs/dbraw/zinc/08/33/87/491083387.db2.gz IUPRNTNHRRKSJR-SNVBAGLBSA-N 2 1 186.299 0.393 20 0 ACADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 308190111 491083388 /nfs/dbraw/zinc/08/33/88/491083388.db2.gz IUPRNTNHRRKSJR-SNVBAGLBSA-N 2 1 186.299 0.393 20 0 ACADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 308190111 491083389 /nfs/dbraw/zinc/08/33/89/491083389.db2.gz IUPRNTNHRRKSJR-SNVBAGLBSA-N 2 1 186.299 0.393 20 0 ACADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 308190111 491083390 /nfs/dbraw/zinc/08/33/90/491083390.db2.gz IUPRNTNHRRKSJR-SNVBAGLBSA-N 2 1 186.299 0.393 20 0 ACADMP CCN(C)C[C@H](O)C[N@@H+](C)C1CC1 308190110 491083483 /nfs/dbraw/zinc/08/34/83/491083483.db2.gz IUPRNTNHRRKSJR-JTQLQIEISA-N 2 1 186.299 0.393 20 0 ACADMP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 308190110 491083484 /nfs/dbraw/zinc/08/34/84/491083484.db2.gz IUPRNTNHRRKSJR-JTQLQIEISA-N 2 1 186.299 0.393 20 0 ACADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 308190110 491083487 /nfs/dbraw/zinc/08/34/87/491083487.db2.gz IUPRNTNHRRKSJR-JTQLQIEISA-N 2 1 186.299 0.393 20 0 ACADMP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 308190110 491083488 /nfs/dbraw/zinc/08/34/88/491083488.db2.gz IUPRNTNHRRKSJR-JTQLQIEISA-N 2 1 186.299 0.393 20 0 ACADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 308190110 491083489 /nfs/dbraw/zinc/08/34/89/491083489.db2.gz IUPRNTNHRRKSJR-JTQLQIEISA-N 2 1 186.299 0.393 20 0 ACADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CC2)C1 308275616 491091181 /nfs/dbraw/zinc/09/11/81/491091181.db2.gz VISYFDGOMCPKAI-JTQLQIEISA-N 2 1 184.283 0.053 20 0 ACADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CC2)C1 308275616 491091182 /nfs/dbraw/zinc/09/11/82/491091182.db2.gz VISYFDGOMCPKAI-JTQLQIEISA-N 2 1 184.283 0.053 20 0 ACADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CC2)C1 308275618 491091263 /nfs/dbraw/zinc/09/12/63/491091263.db2.gz VISYFDGOMCPKAI-SNVBAGLBSA-N 2 1 184.283 0.053 20 0 ACADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CC2)C1 308275618 491091264 /nfs/dbraw/zinc/09/12/64/491091264.db2.gz VISYFDGOMCPKAI-SNVBAGLBSA-N 2 1 184.283 0.053 20 0 ACADMP COC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 308515990 491109577 /nfs/dbraw/zinc/10/95/77/491109577.db2.gz MSDFFZRUGQFBIU-SNVBAGLBSA-N 2 1 198.310 0.873 20 0 ACADMP COC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 308515989 491109746 /nfs/dbraw/zinc/10/97/46/491109746.db2.gz MSDFFZRUGQFBIU-JTQLQIEISA-N 2 1 198.310 0.873 20 0 ACADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2(C)CC2)C1 308577847 491112443 /nfs/dbraw/zinc/11/24/43/491112443.db2.gz FFIUYEGOGVTTGB-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2(C)CC2)C1 308577847 491112444 /nfs/dbraw/zinc/11/24/44/491112444.db2.gz FFIUYEGOGVTTGB-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2(C)CC2)C1 308577849 491112530 /nfs/dbraw/zinc/11/25/30/491112530.db2.gz FFIUYEGOGVTTGB-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2(C)CC2)C1 308577849 491112531 /nfs/dbraw/zinc/11/25/31/491112531.db2.gz FFIUYEGOGVTTGB-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP C[NH+]1CCC([NH2+]CCN2CCC2)CC1 308596276 491113722 /nfs/dbraw/zinc/11/37/22/491113722.db2.gz MQEQNDASDOIKBN-UHFFFAOYSA-N 2 1 197.326 0.376 20 0 ACADMP COCC1([NH2+]C2CC[NH+](C)CC2)CC1 308602266 491114078 /nfs/dbraw/zinc/11/40/78/491114078.db2.gz OOROXKNMQSLNRS-UHFFFAOYSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 308653688 491116140 /nfs/dbraw/zinc/11/61/40/491116140.db2.gz MNMJBQQYMJTXRH-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 308653688 491116141 /nfs/dbraw/zinc/11/61/41/491116141.db2.gz MNMJBQQYMJTXRH-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 308653687 491116169 /nfs/dbraw/zinc/11/61/69/491116169.db2.gz MNMJBQQYMJTXRH-MXWKQRLJSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 308653687 491116170 /nfs/dbraw/zinc/11/61/70/491116170.db2.gz MNMJBQQYMJTXRH-MXWKQRLJSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 308653689 491116186 /nfs/dbraw/zinc/11/61/86/491116186.db2.gz MNMJBQQYMJTXRH-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 308653689 491116187 /nfs/dbraw/zinc/11/61/87/491116187.db2.gz MNMJBQQYMJTXRH-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 308653686 491116234 /nfs/dbraw/zinc/11/62/34/491116234.db2.gz MNMJBQQYMJTXRH-GMTAPVOTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 308653686 491116235 /nfs/dbraw/zinc/11/62/35/491116235.db2.gz MNMJBQQYMJTXRH-GMTAPVOTSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 308658554 491116272 /nfs/dbraw/zinc/11/62/72/491116272.db2.gz PADPRBZWBVINRU-ONGXEEELSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 308658554 491116274 /nfs/dbraw/zinc/11/62/74/491116274.db2.gz PADPRBZWBVINRU-ONGXEEELSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 308658553 491116284 /nfs/dbraw/zinc/11/62/84/491116284.db2.gz PADPRBZWBVINRU-MWLCHTKSSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 308658553 491116285 /nfs/dbraw/zinc/11/62/85/491116285.db2.gz PADPRBZWBVINRU-MWLCHTKSSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 308658552 491116355 /nfs/dbraw/zinc/11/63/55/491116355.db2.gz PADPRBZWBVINRU-KOLCDFICSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 308658552 491116356 /nfs/dbraw/zinc/11/63/56/491116356.db2.gz PADPRBZWBVINRU-KOLCDFICSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 308658551 491116431 /nfs/dbraw/zinc/11/64/31/491116431.db2.gz PADPRBZWBVINRU-GXSJLCMTSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 308658551 491116432 /nfs/dbraw/zinc/11/64/32/491116432.db2.gz PADPRBZWBVINRU-GXSJLCMTSA-N 2 1 198.310 0.441 20 0 ACADMP C[N@@H+](CC1CCC1)C[C@@H]1CNCCO1 61483404 1188771823 /nfs/dbraw/zinc/77/18/23/1188771823.db2.gz JRFOUYBWZYSOSS-NSHDSACASA-N 2 1 198.310 0.707 20 0 ACADMP C[N@@H+](CC1CCC1)C[C@H]1CNCCO1 61483407 1188771940 /nfs/dbraw/zinc/77/19/40/1188771940.db2.gz JRFOUYBWZYSOSS-LLVKDONJSA-N 2 1 198.310 0.707 20 0 ACADMP COCC[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 227811985 1188789517 /nfs/dbraw/zinc/78/95/17/1188789517.db2.gz LMVJZYFJZGVCAB-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 250820794 1188795107 /nfs/dbraw/zinc/79/51/07/1188795107.db2.gz GCIKMNKTUCNACD-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP C1C[C@@]2(CC[N@H+]([C@H]3CCOC3)C2)C[NH2+]1 250850400 1188795131 /nfs/dbraw/zinc/79/51/31/1188795131.db2.gz OCJRQNJEVXSVMR-WDEREUQCSA-N 2 1 196.294 0.461 20 0 ACADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 250977011 1188795142 /nfs/dbraw/zinc/79/51/42/1188795142.db2.gz AWJIANWJJLTBDX-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP C1C[C@@]2(CC[N@H+]([C@@H]3CCOC3)C2)C[NH2+]1 250850398 1188795148 /nfs/dbraw/zinc/79/51/48/1188795148.db2.gz OCJRQNJEVXSVMR-GHMZBOCLSA-N 2 1 196.294 0.461 20 0 ACADMP [NH3+]CC[C@H]1CC[N@H+]([C@H]2CCOC2)C1 250820790 1188795171 /nfs/dbraw/zinc/79/51/71/1188795171.db2.gz GCIKMNKTUCNACD-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 250977013 1188795226 /nfs/dbraw/zinc/79/52/26/1188795226.db2.gz AWJIANWJJLTBDX-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 252691262 1188795593 /nfs/dbraw/zinc/79/55/93/1188795593.db2.gz XKMFIWUUJTVCIC-GMTAPVOTSA-N 2 1 198.310 0.848 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 252691262 1188795596 /nfs/dbraw/zinc/79/55/96/1188795596.db2.gz XKMFIWUUJTVCIC-GMTAPVOTSA-N 2 1 198.310 0.848 20 0 ACADMP CO[C@H](C)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 307005401 1188803937 /nfs/dbraw/zinc/80/39/37/1188803937.db2.gz DYHUWXOAKRQYJD-MXWKQRLJSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307281494 1188806491 /nfs/dbraw/zinc/80/64/91/1188806491.db2.gz KAOJGVRXSXDUOF-MMWGEVLESA-N 2 1 198.310 0.440 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307281495 1188806499 /nfs/dbraw/zinc/80/64/99/1188806499.db2.gz KAOJGVRXSXDUOF-NAKRPEOUSA-N 2 1 198.310 0.440 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307281497 1188806675 /nfs/dbraw/zinc/80/66/75/1188806675.db2.gz KAOJGVRXSXDUOF-XWLWVQCSSA-N 2 1 198.310 0.440 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307281496 1188806825 /nfs/dbraw/zinc/80/68/25/1188806825.db2.gz KAOJGVRXSXDUOF-UKKRHICBSA-N 2 1 198.310 0.440 20 0 ACADMP C[N@H+]1CCCC[C@H]1CNCC(C)(C)[NH3+] 308698210 1188812345 /nfs/dbraw/zinc/81/23/45/1188812345.db2.gz UJZFICMZLILZNT-JTQLQIEISA-N 2 1 199.342 0.798 20 0 ACADMP CN1CCCC[C@H]1C[NH2+]CC(C)(C)[NH3+] 308698210 1188812347 /nfs/dbraw/zinc/81/23/47/1188812347.db2.gz UJZFICMZLILZNT-JTQLQIEISA-N 2 1 199.342 0.798 20 0 ACADMP C[N@H+]1CCCC[C@@H]1CNCC(C)(C)[NH3+] 308698212 1188812433 /nfs/dbraw/zinc/81/24/33/1188812433.db2.gz UJZFICMZLILZNT-SNVBAGLBSA-N 2 1 199.342 0.798 20 0 ACADMP CN1CCCC[C@@H]1C[NH2+]CC(C)(C)[NH3+] 308698212 1188812435 /nfs/dbraw/zinc/81/24/35/1188812435.db2.gz UJZFICMZLILZNT-SNVBAGLBSA-N 2 1 199.342 0.798 20 0 ACADMP C[NH2+][C@@H](C)Cc1noc(C2([NH3+])CC2)n1 309140792 1188813241 /nfs/dbraw/zinc/81/32/41/1188813241.db2.gz SZAOIICHGJLIKC-LURJTMIESA-N 2 1 196.254 0.168 20 0 ACADMP C[NH2+][C@H](C)Cc1noc(C2([NH3+])CC2)n1 309140793 1188813610 /nfs/dbraw/zinc/81/36/10/1188813610.db2.gz SZAOIICHGJLIKC-ZCFIWIBFSA-N 2 1 196.254 0.168 20 0 ACADMP CC[C@H](C)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] 318723562 1188813750 /nfs/dbraw/zinc/81/37/50/1188813750.db2.gz ACACATLMMVOTHR-AEJSXWLSSA-N 2 1 188.315 0.672 20 0 ACADMP CC[C@H](C)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] 318723563 1188813914 /nfs/dbraw/zinc/81/39/14/1188813914.db2.gz ACACATLMMVOTHR-GUBZILKMSA-N 2 1 188.315 0.672 20 0 ACADMP CC[C@H](C)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] 318723566 1188814027 /nfs/dbraw/zinc/81/40/27/1188814027.db2.gz ACACATLMMVOTHR-LPEHRKFASA-N 2 1 188.315 0.672 20 0 ACADMP CC[C@H](C)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] 318723565 1188814078 /nfs/dbraw/zinc/81/40/78/1188814078.db2.gz ACACATLMMVOTHR-IVZWLZJFSA-N 2 1 188.315 0.672 20 0 ACADMP C[C@H](C[NH3+])C[NH2+]Cc1ccn(C)n1 379402055 1188818270 /nfs/dbraw/zinc/81/82/70/1188818270.db2.gz MDLMXXRUYKMUNW-MRVPVSSYSA-N 2 1 182.271 0.105 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+]Cc1ccn(C)n1 379402056 1188818469 /nfs/dbraw/zinc/81/84/69/1188818469.db2.gz MDLMXXRUYKMUNW-QMMMGPOBSA-N 2 1 182.271 0.105 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@](C)(O)C1 1579454568 1188846028 /nfs/dbraw/zinc/84/60/28/1188846028.db2.gz LJPVLDOMVMVTRS-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H]1CC[NH2+]C1 1579428860 1188846059 /nfs/dbraw/zinc/84/60/59/1188846059.db2.gz FXOBTFFNDDMCRW-OUAUKWLOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@](C)(O)C1 1579454569 1188846066 /nfs/dbraw/zinc/84/60/66/1188846066.db2.gz LJPVLDOMVMVTRS-VWYCJHECSA-N 2 1 198.310 0.299 20 0 ACADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 1579429303 1188846087 /nfs/dbraw/zinc/84/60/87/1188846087.db2.gz QFMMQVIUYPMETD-CHWFTXMASA-N 2 1 198.310 0.569 20 0 ACADMP C[C@@H]1CC[C@@H](O)C[N@H+]1CCC1C[NH2+]C1 1579428766 1188846109 /nfs/dbraw/zinc/84/61/09/1188846109.db2.gz BQYXDPWKLHXOLI-MWLCHTKSSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@H](O)C[N@H+]1CCC1C[NH2+]C1 1579428764 1188846115 /nfs/dbraw/zinc/84/61/15/1188846115.db2.gz BQYXDPWKLHXOLI-KOLCDFICSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CC(O)C1 1579454644 1188846133 /nfs/dbraw/zinc/84/61/33/1188846133.db2.gz RHTVBRACUHCQTO-MFQSTILNSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@@H]1CC[NH2+]C1 1579428859 1188846220 /nfs/dbraw/zinc/84/62/20/1188846220.db2.gz FXOBTFFNDDMCRW-GMTAPVOTSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@H](CO)[N@H+]1CCC1C[NH2+]C1 1579429458 1188846282 /nfs/dbraw/zinc/84/62/82/1188846282.db2.gz ZQDRQCQCFYFQOE-MWLCHTKSSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@H](C)CO 1579454504 1188846298 /nfs/dbraw/zinc/84/62/98/1188846298.db2.gz HSKCOBCTZVHOMP-BBBLOLIVSA-N 2 1 186.299 0.155 20 0 ACADMP C[C@@H]1C[N@H+](CCC[C@H]2CCO2)C[C@H]1[NH3+] 1579440683 1188846331 /nfs/dbraw/zinc/84/63/31/1188846331.db2.gz PUXHBURSZSQBMH-OUAUKWLOSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[C@H]2CCO2)C[C@H]1[NH3+] 1579440683 1188846334 /nfs/dbraw/zinc/84/63/34/1188846334.db2.gz PUXHBURSZSQBMH-OUAUKWLOSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](O)[C@@H]1C 1579455431 1188846357 /nfs/dbraw/zinc/84/63/57/1188846357.db2.gz DCNGHKAAYBWFRQ-RCWTZXSCSA-N 2 1 198.310 0.297 20 0 ACADMP C[C@@H]1CC[C@H](CO)[N@@H+]1C[C@H]1CCC[NH2+]1 1579428750 1188846361 /nfs/dbraw/zinc/84/63/61/1188846361.db2.gz ATEKFGXJWDJANX-GMTAPVOTSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H]1CCC[NH2+]1 1579428750 1188846365 /nfs/dbraw/zinc/84/63/65/1188846365.db2.gz ATEKFGXJWDJANX-GMTAPVOTSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H]1C[N@H+](CCC[C@@H]2CCO2)C[C@H]1[NH3+] 1579440682 1188846435 /nfs/dbraw/zinc/84/64/35/1188846435.db2.gz PUXHBURSZSQBMH-GMTAPVOTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[C@@H]2CCO2)C[C@H]1[NH3+] 1579440682 1188846438 /nfs/dbraw/zinc/84/64/38/1188846438.db2.gz PUXHBURSZSQBMH-GMTAPVOTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](CO)C1 1579454493 1188846477 /nfs/dbraw/zinc/84/64/77/1188846477.db2.gz GYRUXLJCOHVBFZ-VWYCJHECSA-N 2 1 198.310 0.156 20 0 ACADMP C[C@@H]1C[N@H+](CC2=NOCC2)C[C@H]1C[NH3+] 1579440384 1188846496 /nfs/dbraw/zinc/84/64/96/1188846496.db2.gz ZJCSOMSERSEYNP-RKDXNWHRSA-N 2 1 197.282 0.289 20 0 ACADMP C[C@@H]1C[N@@H+](CC2=NOCC2)C[C@H]1C[NH3+] 1579440384 1188846501 /nfs/dbraw/zinc/84/65/01/1188846501.db2.gz ZJCSOMSERSEYNP-RKDXNWHRSA-N 2 1 197.282 0.289 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](CO)C1 1579454492 1188846508 /nfs/dbraw/zinc/84/65/08/1188846508.db2.gz GYRUXLJCOHVBFZ-MXWKQRLJSA-N 2 1 198.310 0.156 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H](C)CO 1579454505 1188846529 /nfs/dbraw/zinc/84/65/29/1188846529.db2.gz HSKCOBCTZVHOMP-UTLUCORTSA-N 2 1 186.299 0.155 20 0 ACADMP C[C@H]1CCCC[N@H+]1CCCNC(N)=[NH2+] 53278629 697621924 /nfs/dbraw/zinc/62/19/24/697621924.db2.gz HAEJWGWSWXLWCH-VIFPVBQESA-N 2 1 198.314 0.734 20 0 ACADMP CCNC(=[NH2+])NCC[N@@H+](C)C(C)C 54108813 697622032 /nfs/dbraw/zinc/62/20/32/697622032.db2.gz VRNWZAXLNOLLAV-UHFFFAOYSA-N 2 1 186.303 0.460 20 0 ACADMP Cc1cc(N)nc(NCC[NH+](C)C)[nH+]1 106872348 697634328 /nfs/dbraw/zinc/63/43/28/697634328.db2.gz GIZDEIHUWUUIFM-UHFFFAOYSA-N 2 1 195.270 0.341 20 0 ACADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1CC[NH3+] 108347546 697634725 /nfs/dbraw/zinc/63/47/25/697634725.db2.gz HCRVVQBGICKQQB-LLVKDONJSA-N 2 1 199.342 0.607 20 0 ACADMP CC(C)C[C@H]1C[N@@H+](C)CCN1CC[NH3+] 108347548 697634801 /nfs/dbraw/zinc/63/48/01/697634801.db2.gz HCRVVQBGICKQQB-NSHDSACASA-N 2 1 199.342 0.607 20 0 ACADMP C[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 126737973 697640605 /nfs/dbraw/zinc/64/06/05/697640605.db2.gz WMMIGKUIPBBKNT-CBAPKCEASA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 126737973 697640606 /nfs/dbraw/zinc/64/06/06/697640606.db2.gz WMMIGKUIPBBKNT-CBAPKCEASA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 126738245 697640614 /nfs/dbraw/zinc/64/06/14/697640614.db2.gz WMMIGKUIPBBKNT-APPZFPTMSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 126738245 697640616 /nfs/dbraw/zinc/64/06/16/697640616.db2.gz WMMIGKUIPBBKNT-APPZFPTMSA-N 2 1 172.272 0.036 20 0 ACADMP COCCCC[N@@H+](C)C[C@H](C)[NH3+] 131260652 697641942 /nfs/dbraw/zinc/64/19/42/697641942.db2.gz DMTXZXOGKZUBLN-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP COCCCC[N@@H+](C)C[C@@H](C)[NH3+] 131260865 697642021 /nfs/dbraw/zinc/64/20/21/697642021.db2.gz DMTXZXOGKZUBLN-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP [NH3+]C1CC([NH2+]Cc2cncs2)C1 131452270 697642085 /nfs/dbraw/zinc/64/20/85/697642085.db2.gz IHVRTISPPFXMQY-UHFFFAOYSA-N 2 1 183.280 0.722 20 0 ACADMP CC[C@@H]1C[N@@H+](C[C@@H](C)O)CC[C@@H]1[NH3+] 147471691 697653830 /nfs/dbraw/zinc/65/38/30/697653830.db2.gz JBVZMUWQLMOLHD-BBBLOLIVSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@@H+](C)CCC[NH3+] 148995661 697655415 /nfs/dbraw/zinc/65/54/15/697655415.db2.gz KYGWROKQANVTSR-QMMMGPOBSA-N 2 1 160.261 0.038 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H]1C 156542394 697655856 /nfs/dbraw/zinc/65/58/56/697655856.db2.gz CBUGELMDXHZIRS-VGMNWLOBSA-N 2 1 156.273 0.921 20 0 ACADMP C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH3+])O1 149790347 697656049 /nfs/dbraw/zinc/65/60/49/697656049.db2.gz KRKDPZLKGNIYTJ-AXFHLTTASA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C[NH3+])O1 149790347 697656050 /nfs/dbraw/zinc/65/60/50/697656050.db2.gz KRKDPZLKGNIYTJ-AXFHLTTASA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@@H]1C 156542298 697656107 /nfs/dbraw/zinc/65/61/07/697656107.db2.gz CBUGELMDXHZIRS-XHNCKOQMSA-N 2 1 156.273 0.921 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@H]1C 156542184 697656119 /nfs/dbraw/zinc/65/61/19/697656119.db2.gz CBUGELMDXHZIRS-HRDYMLBCSA-N 2 1 156.273 0.921 20 0 ACADMP C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2C[NH3+])O1 149790113 697656247 /nfs/dbraw/zinc/65/62/47/697656247.db2.gz KRKDPZLKGNIYTJ-HBNTYKKESA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2C[NH3+])O1 149790113 697656250 /nfs/dbraw/zinc/65/62/50/697656250.db2.gz KRKDPZLKGNIYTJ-HBNTYKKESA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 156542487 697656445 /nfs/dbraw/zinc/65/64/45/697656445.db2.gz CBUGELMDXHZIRS-CIUDSAMLSA-N 2 1 156.273 0.921 20 0 ACADMP C[C@@H](C[NH3+])[NH2+]CC(C)(C)C 157014250 697657089 /nfs/dbraw/zinc/65/70/89/697657089.db2.gz WPJHEOWRNLDBRO-ZETCQYMHSA-N 2 1 144.262 0.969 20 0 ACADMP Cc1nn(C)cc1C[NH2+]C1CC([NH3+])C1 160230532 697660119 /nfs/dbraw/zinc/66/01/19/697660119.db2.gz OTRVUPCKOGVTJL-UHFFFAOYSA-N 2 1 306.358 3.214 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 160949283 697661905 /nfs/dbraw/zinc/66/19/05/697661905.db2.gz RNCOWZBTPJOCJB-YIZRAAEISA-N 2 1 172.272 0.036 20 0 ACADMP COCC[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 163068555 697668683 /nfs/dbraw/zinc/66/86/83/697668683.db2.gz ULAZRWVPFRICDO-RKDXNWHRSA-N 2 1 174.288 0.690 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+]CC1([NH3+])CC1 167528466 697676083 /nfs/dbraw/zinc/67/60/83/697676083.db2.gz GIXZPINHLDFCAY-SFYZADRCSA-N 2 1 154.257 0.723 20 0 ACADMP C[C@H]1C[C@H]1C[NH2+]CC1([NH3+])CC1 167528573 697676387 /nfs/dbraw/zinc/67/63/87/697676387.db2.gz GIXZPINHLDFCAY-YUMQZZPRSA-N 2 1 154.257 0.723 20 0 ACADMP C[C@H]1C[C@@H]1C[NH2+]CC1([NH3+])CC1 167528354 697676481 /nfs/dbraw/zinc/67/64/81/697676481.db2.gz GIXZPINHLDFCAY-JGVFFNPUSA-N 2 1 154.257 0.723 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+]CC1([NH3+])CC1 167528243 697676491 /nfs/dbraw/zinc/67/64/91/697676491.db2.gz GIXZPINHLDFCAY-HTQZYQBOSA-N 2 1 154.257 0.723 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] 168921254 697677452 /nfs/dbraw/zinc/67/74/52/697677452.db2.gz ZBLFPCCXYPTSOH-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] 168921254 697677453 /nfs/dbraw/zinc/67/74/53/697677453.db2.gz ZBLFPCCXYPTSOH-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 221300793 697686570 /nfs/dbraw/zinc/68/65/70/697686570.db2.gz JNZOQCDNTMYKBS-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 224228944 697688371 /nfs/dbraw/zinc/68/83/71/697688371.db2.gz DTDLQKIZICFCSQ-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 224886125 697689230 /nfs/dbraw/zinc/68/92/30/697689230.db2.gz FLZCHWSUNZTYBS-IVZWLZJFSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 227211221 697695954 /nfs/dbraw/zinc/69/59/54/697695954.db2.gz QIRBMTISRPNQJC-BBBLOLIVSA-N 2 1 186.299 0.426 20 0 ACADMP COC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 227649823 697697937 /nfs/dbraw/zinc/69/79/37/697697937.db2.gz SKRNKQNYPDIPME-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 227649823 697697941 /nfs/dbraw/zinc/69/79/41/697697941.db2.gz SKRNKQNYPDIPME-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 251455267 697713601 /nfs/dbraw/zinc/71/36/01/697713601.db2.gz UDVSHNWLCIXGQW-UWVGGRQHSA-N 2 1 184.283 0.053 20 0 ACADMP OC[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 251455271 697713622 /nfs/dbraw/zinc/71/36/22/697713622.db2.gz UDVSHNWLCIXGQW-VHSXEESVSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1[NH3+] 300050002 697719662 /nfs/dbraw/zinc/71/96/62/697719662.db2.gz WIQCNXZKTLVSQW-GMTAPVOTSA-N 2 1 198.310 0.692 20 0 ACADMP C[C@H]1COCC[N@@H+](CCC[NH3+])C1 306775786 697734053 /nfs/dbraw/zinc/73/40/53/697734053.db2.gz MIFLREBYCUTSCM-SECBINFHSA-N 2 1 172.272 0.304 20 0 ACADMP C[C@@H]1COCC[N@@H+](CCC[NH3+])C1 306775787 697734079 /nfs/dbraw/zinc/73/40/79/697734079.db2.gz MIFLREBYCUTSCM-VIFPVBQESA-N 2 1 172.272 0.304 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](C)O 307276982 697739637 /nfs/dbraw/zinc/73/96/37/697739637.db2.gz RAZZHRGIYLWFRP-HRDYMLBCSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 307276983 697739719 /nfs/dbraw/zinc/73/97/19/697739719.db2.gz RAZZHRGIYLWFRP-IWSPIJDZSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 307276981 697740088 /nfs/dbraw/zinc/74/00/88/697740088.db2.gz RAZZHRGIYLWFRP-HLTSFMKQSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](C)O 307276984 697740097 /nfs/dbraw/zinc/74/00/97/697740097.db2.gz RAZZHRGIYLWFRP-VGMNWLOBSA-N 2 1 172.272 0.097 20 0 ACADMP Cc1ccc(C[NH2+]C2CC([NH3+])C2)nc1 307716111 697751270 /nfs/dbraw/zinc/75/12/70/697751270.db2.gz HBFHVAIPZXKPHO-UHFFFAOYSA-N 2 1 191.278 0.969 20 0 ACADMP CC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] 379190580 697799745 /nfs/dbraw/zinc/79/97/45/697799745.db2.gz UCESSWFMRSSOIY-SFYZADRCSA-N 2 1 160.261 0.036 20 0 ACADMP CC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] 379190580 697799748 /nfs/dbraw/zinc/79/97/48/697799748.db2.gz UCESSWFMRSSOIY-SFYZADRCSA-N 2 1 160.261 0.036 20 0 ACADMP CC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] 379190581 697799850 /nfs/dbraw/zinc/79/98/50/697799850.db2.gz UCESSWFMRSSOIY-YUMQZZPRSA-N 2 1 160.261 0.036 20 0 ACADMP CC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] 379190581 697799851 /nfs/dbraw/zinc/79/98/51/697799851.db2.gz UCESSWFMRSSOIY-YUMQZZPRSA-N 2 1 160.261 0.036 20 0 ACADMP COC1(C[NH2+][C@@H](C)C[NH3+])CCCC1 379397895 697872701 /nfs/dbraw/zinc/87/27/01/697872701.db2.gz YROSJYFDTTYPAK-VIFPVBQESA-N 2 1 186.299 0.882 20 0 ACADMP COCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 379598199 697903554 /nfs/dbraw/zinc/90/35/54/697903554.db2.gz HBGXKGHYCXGCSH-WDEREUQCSA-N 2 1 198.310 0.564 20 0 ACADMP NCC[N@H+](CCO)CC1CCCC1 379638307 697907340 /nfs/dbraw/zinc/90/73/40/697907340.db2.gz SIPSZBRKQBSGQX-UHFFFAOYSA-N 2 1 186.299 0.430 20 0 ACADMP NCC[N@@H+](CCO)CC1CCCC1 379638307 697907341 /nfs/dbraw/zinc/90/73/41/697907341.db2.gz SIPSZBRKQBSGQX-UHFFFAOYSA-N 2 1 186.299 0.430 20 0 ACADMP [NH3+]CC[N@H+](CCO)CC1CCCC1 379638307 697907343 /nfs/dbraw/zinc/90/73/43/697907343.db2.gz SIPSZBRKQBSGQX-UHFFFAOYSA-N 2 1 186.299 0.430 20 0 ACADMP [NH3+]CC[N@@H+](CCO)CC1CCCC1 379638307 697907345 /nfs/dbraw/zinc/90/73/45/697907345.db2.gz SIPSZBRKQBSGQX-UHFFFAOYSA-N 2 1 186.299 0.430 20 0 ACADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2C[C@H]2C1 380395239 697912393 /nfs/dbraw/zinc/91/23/93/697912393.db2.gz JBHMZNJDIUTXOV-OUAUKWLOSA-N 2 1 198.310 0.251 20 0 ACADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2C[C@H]2C1 380395239 697912395 /nfs/dbraw/zinc/91/23/95/697912395.db2.gz JBHMZNJDIUTXOV-OUAUKWLOSA-N 2 1 198.310 0.251 20 0 ACADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2C[C@H]2C1 380395239 697912398 /nfs/dbraw/zinc/91/23/98/697912398.db2.gz JBHMZNJDIUTXOV-OUAUKWLOSA-N 2 1 198.310 0.251 20 0 ACADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2C[C@H]2C1 380395239 697912401 /nfs/dbraw/zinc/91/24/01/697912401.db2.gz JBHMZNJDIUTXOV-OUAUKWLOSA-N 2 1 198.310 0.251 20 0 ACADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[C@H]2C1 380395235 697912469 /nfs/dbraw/zinc/91/24/69/697912469.db2.gz JBHMZNJDIUTXOV-AXFHLTTASA-N 2 1 198.310 0.251 20 0 ACADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[C@H]2C1 380395235 697912470 /nfs/dbraw/zinc/91/24/70/697912470.db2.gz JBHMZNJDIUTXOV-AXFHLTTASA-N 2 1 198.310 0.251 20 0 ACADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2C[C@H]2C1 380395235 697912472 /nfs/dbraw/zinc/91/24/72/697912472.db2.gz JBHMZNJDIUTXOV-AXFHLTTASA-N 2 1 198.310 0.251 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@H+](C)CC[NH3+] 387667563 697938335 /nfs/dbraw/zinc/93/83/35/697938335.db2.gz KDRPFPURNMNVOP-BDAKNGLRSA-N 2 1 156.273 0.923 20 0 ACADMP CC[C@H](O)C[N@@H+](C)C1CC([NH3+])C1 384738569 697931096 /nfs/dbraw/zinc/93/10/96/697931096.db2.gz LJKDJBKFGYVWOI-HACHORDNSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H](O)CC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384910282 697932054 /nfs/dbraw/zinc/93/20/54/697932054.db2.gz PTNJXFGHSVPOAO-UKKRHICBSA-N 2 1 198.310 0.249 20 0 ACADMP C[C@H](O)CC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384910282 697932056 /nfs/dbraw/zinc/93/20/56/697932056.db2.gz PTNJXFGHSVPOAO-UKKRHICBSA-N 2 1 198.310 0.249 20 0 ACADMP C[C@@H](O)CC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384910285 697932121 /nfs/dbraw/zinc/93/21/21/697932121.db2.gz PTNJXFGHSVPOAO-ZNSHCXBVSA-N 2 1 198.310 0.249 20 0 ACADMP C[C@@H](O)CC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384910285 697932124 /nfs/dbraw/zinc/93/21/24/697932124.db2.gz PTNJXFGHSVPOAO-ZNSHCXBVSA-N 2 1 198.310 0.249 20 0 ACADMP C[C@H](CO)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384893403 697932153 /nfs/dbraw/zinc/93/21/53/697932153.db2.gz LLOVDRKJXRASKG-UKKRHICBSA-N 2 1 198.310 0.107 20 0 ACADMP C[C@H](CO)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384893403 697932156 /nfs/dbraw/zinc/93/21/56/697932156.db2.gz LLOVDRKJXRASKG-UKKRHICBSA-N 2 1 198.310 0.107 20 0 ACADMP C[NH+](C)[C@H]1[C@@H]2C[N@@H+](CCCCO)C[C@@H]21 384915785 697932214 /nfs/dbraw/zinc/93/22/14/697932214.db2.gz QLSBJGAVVZZWBC-URLYPYJESA-N 2 1 198.310 0.251 20 0 ACADMP C[NH+](C)[C@H]1[C@@H]2C[N@H+](CCCCO)C[C@@H]21 384915785 697932217 /nfs/dbraw/zinc/93/22/17/697932217.db2.gz QLSBJGAVVZZWBC-URLYPYJESA-N 2 1 198.310 0.251 20 0 ACADMP C[C@@H](CO)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384893404 697932282 /nfs/dbraw/zinc/93/22/82/697932282.db2.gz LLOVDRKJXRASKG-ZNSHCXBVSA-N 2 1 198.310 0.107 20 0 ACADMP C[C@@H](CO)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384893404 697932284 /nfs/dbraw/zinc/93/22/84/697932284.db2.gz LLOVDRKJXRASKG-ZNSHCXBVSA-N 2 1 198.310 0.107 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384933366 697932349 /nfs/dbraw/zinc/93/23/49/697932349.db2.gz STUBFDWPKJAVJL-UKKRHICBSA-N 2 1 198.310 0.249 20 0 ACADMP CC[C@H](O)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384933366 697932350 /nfs/dbraw/zinc/93/23/50/697932350.db2.gz STUBFDWPKJAVJL-UKKRHICBSA-N 2 1 198.310 0.249 20 0 ACADMP CC[C@@H](O)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384933368 697932983 /nfs/dbraw/zinc/93/29/83/697932983.db2.gz STUBFDWPKJAVJL-ZNSHCXBVSA-N 2 1 198.310 0.249 20 0 ACADMP CC[C@@H](O)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 384933368 697932986 /nfs/dbraw/zinc/93/29/86/697932986.db2.gz STUBFDWPKJAVJL-ZNSHCXBVSA-N 2 1 198.310 0.249 20 0 ACADMP C[C@@H](O)C[N@H+](C)C1(C[NH3+])CCC1 385390347 697933889 /nfs/dbraw/zinc/93/38/89/697933889.db2.gz USLXCIDVSBOETA-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 385390347 697933891 /nfs/dbraw/zinc/93/38/91/697933891.db2.gz USLXCIDVSBOETA-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 385336948 697934225 /nfs/dbraw/zinc/93/42/25/697934225.db2.gz LQJMOXDSHFUDQE-VIFPVBQESA-N 2 1 186.299 0.571 20 0 ACADMP CC[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 385336948 697934229 /nfs/dbraw/zinc/93/42/29/697934229.db2.gz LQJMOXDSHFUDQE-VIFPVBQESA-N 2 1 186.299 0.571 20 0 ACADMP C[C@H](O)C[N@H+](C)C1(C[NH3+])CCC1 385390348 697934247 /nfs/dbraw/zinc/93/42/47/697934247.db2.gz USLXCIDVSBOETA-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)C[N@@H+](C)C1(C[NH3+])CCC1 385390348 697934250 /nfs/dbraw/zinc/93/42/50/697934250.db2.gz USLXCIDVSBOETA-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CC[NH3+] 387667563 697938337 /nfs/dbraw/zinc/93/83/37/697938337.db2.gz KDRPFPURNMNVOP-BDAKNGLRSA-N 2 1 156.273 0.923 20 0 ACADMP C[NH2+]CC[N@H+](C)CC1CC[NH2+]CC1 389240633 698006178 /nfs/dbraw/zinc/00/61/78/698006178.db2.gz YEKGQTITXPQBAX-UHFFFAOYSA-N 3 1 185.315 0.137 20 0 ACADMP C[NH2+]CC[N@@H+](C)CC1CC[NH2+]CC1 389240633 698006179 /nfs/dbraw/zinc/00/61/79/698006179.db2.gz YEKGQTITXPQBAX-UHFFFAOYSA-N 3 1 185.315 0.137 20 0 ACADMP [NH3+][C@@H]1CC[C@H](C[N@@H+](CCO)C2CC2)C1 389717413 698010365 /nfs/dbraw/zinc/01/03/65/698010365.db2.gz OKFFIKDVOVOOKD-VHSXEESVSA-N 2 1 198.310 0.571 20 0 ACADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C 393552353 698018864 /nfs/dbraw/zinc/01/88/64/698018864.db2.gz DPUUCTPMYGZTEE-OPRDCNLKSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)C[NH+](C)C 393552354 698019129 /nfs/dbraw/zinc/01/91/29/698019129.db2.gz DPUUCTPMYGZTEE-UTLUCORTSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C 393552351 698019186 /nfs/dbraw/zinc/01/91/86/698019186.db2.gz DPUUCTPMYGZTEE-BBBLOLIVSA-N 2 1 186.299 0.297 20 0 ACADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C 393552352 698019209 /nfs/dbraw/zinc/01/92/09/698019209.db2.gz DPUUCTPMYGZTEE-KXUCPTDWSA-N 2 1 186.299 0.297 20 0 ACADMP CO[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396638258 698037163 /nfs/dbraw/zinc/03/71/63/698037163.db2.gz OFTSKYZYZLHOMT-OPRDCNLKSA-N 2 1 186.299 0.751 20 0 ACADMP Cn1nncc1C[NH2+]CCC(C)(C)[NH3+] 395001600 698033058 /nfs/dbraw/zinc/03/30/58/698033058.db2.gz RMHVCYCSUSVOQK-UHFFFAOYSA-N 2 1 197.286 0.032 20 0 ACADMP COCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396572302 698036791 /nfs/dbraw/zinc/03/67/91/698036791.db2.gz YNMUCRXKDOUCTJ-VHSXEESVSA-N 2 1 186.299 0.753 20 0 ACADMP COCCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396572301 698036808 /nfs/dbraw/zinc/03/68/08/698036808.db2.gz YNMUCRXKDOUCTJ-UWVGGRQHSA-N 2 1 186.299 0.753 20 0 ACADMP COCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396572303 698036891 /nfs/dbraw/zinc/03/68/91/698036891.db2.gz YNMUCRXKDOUCTJ-ZJUUUORDSA-N 2 1 186.299 0.753 20 0 ACADMP COCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396572300 698036973 /nfs/dbraw/zinc/03/69/73/698036973.db2.gz YNMUCRXKDOUCTJ-NXEZZACHSA-N 2 1 186.299 0.753 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCO 396657071 698037107 /nfs/dbraw/zinc/03/71/07/698037107.db2.gz WDKPARFOTXCMGU-NXEZZACHSA-N 2 1 186.299 0.489 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCO 396657073 698037179 /nfs/dbraw/zinc/03/71/79/698037179.db2.gz WDKPARFOTXCMGU-UWVGGRQHSA-N 2 1 186.299 0.489 20 0 ACADMP CO[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C 396638260 698037319 /nfs/dbraw/zinc/03/73/19/698037319.db2.gz OFTSKYZYZLHOMT-UTLUCORTSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCO 396657074 698037777 /nfs/dbraw/zinc/03/77/77/698037777.db2.gz WDKPARFOTXCMGU-VHSXEESVSA-N 2 1 186.299 0.489 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCO 396657076 698037857 /nfs/dbraw/zinc/03/78/57/698037857.db2.gz WDKPARFOTXCMGU-ZJUUUORDSA-N 2 1 186.299 0.489 20 0 ACADMP CC(C)NC(=[NH2+])NCC1([NH+](C)C)CC1 397797298 698039831 /nfs/dbraw/zinc/03/98/31/698039831.db2.gz GNZSILSVNIBXFR-UHFFFAOYSA-N 2 1 198.314 0.603 20 0 ACADMP CCCNC(=[NH2+])NCC1([NH+](C)C)CC1 397792699 698039840 /nfs/dbraw/zinc/03/98/40/698039840.db2.gz DSXBLBRLBIZQEN-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP CCNC(=[NH2+])NCC1([NH+](C)C)CC1 397896423 698040210 /nfs/dbraw/zinc/04/02/10/698040210.db2.gz SKBLYZZORLAFTH-UHFFFAOYSA-N 2 1 184.287 0.214 20 0 ACADMP C[NH2+]CCC[N@H+]1CCOC[C@@H](C)C1 399189796 698043172 /nfs/dbraw/zinc/04/31/72/698043172.db2.gz VLLPJLYOKMYGFV-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]CCC[N@H+]1CCOC[C@H](C)C1 399189798 698043289 /nfs/dbraw/zinc/04/32/89/698043289.db2.gz VLLPJLYOKMYGFV-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP COC1CC(C[N@H+]2CCC[NH2+]CC2)C1 705494952 698052760 /nfs/dbraw/zinc/05/27/60/698052760.db2.gz OTSAAGVLQSFUDQ-UHFFFAOYSA-N 2 1 198.310 0.707 20 0 ACADMP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 721920401 698070133 /nfs/dbraw/zinc/07/01/33/698070133.db2.gz SQEHUHRBZGPROC-CHWFTXMASA-N 2 1 198.310 0.690 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 723683374 698073832 /nfs/dbraw/zinc/07/38/32/698073832.db2.gz PVXWNMADLKOEHF-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccno2)C1 723681849 698074010 /nfs/dbraw/zinc/07/40/10/698074010.db2.gz ATMGCXBSXURKDP-SECBINFHSA-N 2 1 195.266 0.845 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccno2)C1 723681850 698074026 /nfs/dbraw/zinc/07/40/26/698074026.db2.gz ATMGCXBSXURKDP-VIFPVBQESA-N 2 1 195.266 0.845 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 723683372 698074247 /nfs/dbraw/zinc/07/42/47/698074247.db2.gz PVXWNMADLKOEHF-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1CC[NH3+] 723882853 698074409 /nfs/dbraw/zinc/07/44/09/698074409.db2.gz LVUVFNQAZTWGAQ-OPRDCNLKSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723882852 698074441 /nfs/dbraw/zinc/07/44/41/698074441.db2.gz LVUVFNQAZTWGAQ-KXUCPTDWSA-N 2 1 186.299 0.284 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc[nH]n2)C1 723709055 698074550 /nfs/dbraw/zinc/07/45/50/698074550.db2.gz LIWQAOGPJQKBDD-VIFPVBQESA-N 2 1 194.282 0.580 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc[nH]n2)C1 723709054 698074717 /nfs/dbraw/zinc/07/47/17/698074717.db2.gz LIWQAOGPJQKBDD-SECBINFHSA-N 2 1 194.282 0.580 20 0 ACADMP CC[N@@H+](CCNC(=[NH2+])NC)C(C)C 848998840 698125728 /nfs/dbraw/zinc/12/57/28/698125728.db2.gz BGTGUHXYWSXOSO-UHFFFAOYSA-N 2 1 186.303 0.460 20 0 ACADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925781884 698175592 /nfs/dbraw/zinc/17/55/92/698175592.db2.gz HHNXCRGEKIZMCJ-UTINFBMNSA-N 2 1 186.299 0.607 20 0 ACADMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925781882 698175618 /nfs/dbraw/zinc/17/56/18/698175618.db2.gz HHNXCRGEKIZMCJ-DOLQZWNJSA-N 2 1 186.299 0.607 20 0 ACADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925781888 698175660 /nfs/dbraw/zinc/17/56/60/698175660.db2.gz HHNXCRGEKIZMCJ-XFWSIPNHSA-N 2 1 186.299 0.607 20 0 ACADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 925781891 698175840 /nfs/dbraw/zinc/17/58/40/698175840.db2.gz HHNXCRGEKIZMCJ-ZYUZMQFOSA-N 2 1 186.299 0.607 20 0 ACADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1 251825552 133424411 /nfs/dbraw/zinc/42/44/11/133424411.db2.gz PEXCGHVWEFTQSR-WDEREUQCSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1CN(CC[C@H]2CC[NH2+]C2)CC[NH2+]1 251825552 133424412 /nfs/dbraw/zinc/42/44/12/133424412.db2.gz PEXCGHVWEFTQSR-WDEREUQCSA-N 2 1 197.326 0.280 20 0 ACADMP COCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219787905 136416848 /nfs/dbraw/zinc/41/68/48/136416848.db2.gz UKFAZMDFAPUDIN-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H](O)C[NH2+]C1CC[NH+](C)CC1 8497579 343018749 /nfs/dbraw/zinc/01/87/49/343018749.db2.gz PWDREPVTQIDTHS-QMMMGPOBSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C 22943634 343082793 /nfs/dbraw/zinc/08/27/93/343082793.db2.gz RPMVELKOENZIBB-WDSKDSINSA-N 2 1 114.192 0.038 20 0 ACADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C 22943634 343082795 /nfs/dbraw/zinc/08/27/95/343082795.db2.gz RPMVELKOENZIBB-WDSKDSINSA-N 2 1 114.192 0.038 20 0 ACADMP CC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 34679634 343124449 /nfs/dbraw/zinc/12/44/49/343124449.db2.gz HTNAVRGLXJMJFN-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP CC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 34679634 343124450 /nfs/dbraw/zinc/12/44/50/343124450.db2.gz HTNAVRGLXJMJFN-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 37910552 343180559 /nfs/dbraw/zinc/18/05/59/343180559.db2.gz KFLUMKISTBYCBH-SFYZADRCSA-N 2 1 142.246 0.818 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccccc1 38760049 343190057 /nfs/dbraw/zinc/19/00/57/343190057.db2.gz STVJPRMSEZRNNG-ZJUUUORDSA-N 2 1 162.236 0.701 20 0 ACADMP Cc1c[nH+]cn1CC[NH3+] 39073848 343196301 /nfs/dbraw/zinc/19/63/01/343196301.db2.gz IJNXVZYBHJQPRM-UHFFFAOYSA-N 2 1 125.175 0.150 20 0 ACADMP CC1(C)C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 51889532 343295431 /nfs/dbraw/zinc/29/54/31/343295431.db2.gz DUXAZVVCRFFEDC-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP CC1(C)C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 51889532 343295432 /nfs/dbraw/zinc/29/54/32/343295432.db2.gz DUXAZVVCRFFEDC-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 51889540 343295654 /nfs/dbraw/zinc/29/56/54/343295654.db2.gz JXYZCXOSLXIBRR-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 52035708 343298126 /nfs/dbraw/zinc/29/81/26/343298126.db2.gz HHWFNFMITVHSTH-QMMMGPOBSA-N 2 1 184.287 0.072 20 0 ACADMP Cc1[nH+]ccn1C[C@H]1CC[NH2+]C1 51890313 343295397 /nfs/dbraw/zinc/29/53/97/343295397.db2.gz GZENOYGYMYNHQM-VIFPVBQESA-N 2 1 165.240 0.801 20 0 ACADMP CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 52035710 343298184 /nfs/dbraw/zinc/29/81/84/343298184.db2.gz HHWFNFMITVHSTH-MRVPVSSYSA-N 2 1 184.287 0.072 20 0 ACADMP Cc1n[nH]cc1C[NH+]1CCC([NH3+])CC1 74245740 343571627 /nfs/dbraw/zinc/57/16/27/343571627.db2.gz YXTDQYIVCFCBPW-UHFFFAOYSA-N 2 1 194.282 0.641 20 0 ACADMP COC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282206 343642356 /nfs/dbraw/zinc/64/23/56/343642356.db2.gz MOEGMNCSMRRVNO-BBBLOLIVSA-N 2 1 184.283 0.173 20 0 ACADMP Cn1cc[nH+]c1CCCC[NH3+] 86753815 343654847 /nfs/dbraw/zinc/65/48/47/343654847.db2.gz FBFXYZUNGIKEOA-UHFFFAOYSA-N 2 1 153.229 0.702 20 0 ACADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 87647789 343662667 /nfs/dbraw/zinc/66/26/67/343662667.db2.gz MFYCMPSQAKMWBG-GHMZBOCLSA-N 2 1 198.310 0.443 20 0 ACADMP OC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 87647790 343662681 /nfs/dbraw/zinc/66/26/81/343662681.db2.gz NPBUKVIUFAMBIU-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 88091295 343667419 /nfs/dbraw/zinc/66/74/19/343667419.db2.gz FXAIBQFFOASGAE-MNOVXSKESA-N 2 1 198.310 0.395 20 0 ACADMP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C)CC1 96033545 343694058 /nfs/dbraw/zinc/69/40/58/343694058.db2.gz QCWJBGNWGOXHDB-MWLCHTKSSA-N 2 1 198.310 0.848 20 0 ACADMP CC(C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 107223795 343747865 /nfs/dbraw/zinc/74/78/65/343747865.db2.gz VFACUJVXVQQVOT-VHSXEESVSA-N 2 1 168.284 0.936 20 0 ACADMP C[C@H]([NH3+])C[C@H]1CCC[N@H+]1C 107324466 343749304 /nfs/dbraw/zinc/74/93/04/343749304.db2.gz DBSPABJYYYBRKY-JGVFFNPUSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccno1 122339909 343779231 /nfs/dbraw/zinc/77/92/31/343779231.db2.gz KKZLXVIUHXQVIW-IUCAKERBSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccno1 122339909 343779232 /nfs/dbraw/zinc/77/92/32/343779232.db2.gz KKZLXVIUHXQVIW-IUCAKERBSA-N 2 1 195.266 0.844 20 0 ACADMP C/C=C/C[C@H]([NH3+])C[NH3+] 39147341 166062645 /nfs/dbraw/zinc/06/26/45/166062645.db2.gz HMGQJWFSUZCAIU-SZKDQXIBSA-N 2 1 114.192 0.239 20 0 ACADMP C/C=C/C[C@@H]([NH3+])C[NH3+] 39147342 166063306 /nfs/dbraw/zinc/06/33/06/166063306.db2.gz HMGQJWFSUZCAIU-YRFDSLTASA-N 2 1 114.192 0.239 20 0 ACADMP C1CC([NH2+][C@H]2CCC[NH2+]C2)C1 52208896 166083158 /nfs/dbraw/zinc/08/31/58/166083158.db2.gz VDNJSUMSPJVSJK-VIFPVBQESA-N 2 1 154.257 0.881 20 0 ACADMP C1CC([NH2+][C@@H]2CCC[NH2+]C2)C1 52208893 166084152 /nfs/dbraw/zinc/08/41/52/166084152.db2.gz VDNJSUMSPJVSJK-SECBINFHSA-N 2 1 154.257 0.881 20 0 ACADMP C1CC1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306231286 166085075 /nfs/dbraw/zinc/08/50/75/166085075.db2.gz KXNQMMJUPRUUGC-QWRGUYRKSA-N 2 1 180.295 0.938 20 0 ACADMP C1CC1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 253591224 166086094 /nfs/dbraw/zinc/08/60/94/166086094.db2.gz KXNQMMJUPRUUGC-MNOVXSKESA-N 2 1 180.295 0.938 20 0 ACADMP C1CC[N@H+]2[C@H](C1)C[C@H]1C[NH2+]C[C@@H]12 35310495 166091052 /nfs/dbraw/zinc/09/10/52/166091052.db2.gz YYTQFUQKFQENQE-AEJSXWLSSA-N 2 1 166.268 0.833 20 0 ACADMP C1CC[N@H+]2[C@H](C1)C[C@@H]1C[NH2+]C[C@@H]12 101190219 166091097 /nfs/dbraw/zinc/09/10/97/166091097.db2.gz YYTQFUQKFQENQE-BBBLOLIVSA-N 2 1 166.268 0.833 20 0 ACADMP C1CC[N@H+]2[C@@H](C1)C[C@H]1C[NH2+]C[C@H]12 36378399 166091661 /nfs/dbraw/zinc/09/16/61/166091661.db2.gz YYTQFUQKFQENQE-LPEHRKFASA-N 2 1 166.268 0.833 20 0 ACADMP C1CC[N@@H+]2[C@@H]3C[NH2+]C[C@@H]3C[C@H]2C1 36378400 166091752 /nfs/dbraw/zinc/09/17/52/166091752.db2.gz YYTQFUQKFQENQE-IVZWLZJFSA-N 2 1 166.268 0.833 20 0 ACADMP C1CC[N@@H+]2[C@@H]3C[NH2+]C[C@H]3C[C@H]2C1 250939253 166091912 /nfs/dbraw/zinc/09/19/12/166091912.db2.gz YYTQFUQKFQENQE-OPRDCNLKSA-N 2 1 166.268 0.833 20 0 ACADMP C1CC[C@@H](C[N@@H+]2CCC[NH2+]CC2)OC1 36946458 166092014 /nfs/dbraw/zinc/09/20/14/166092014.db2.gz IWZUJJOQODPGTD-NSHDSACASA-N 2 1 198.310 0.851 20 0 ACADMP C1CC[C@@H](C[N@H+]2CCC[NH2+]CC2)OC1 36946458 166092015 /nfs/dbraw/zinc/09/20/15/166092015.db2.gz IWZUJJOQODPGTD-NSHDSACASA-N 2 1 198.310 0.851 20 0 ACADMP C1CC[C@H](C[N@@H+]2CCC[NH2+]CC2)OC1 36946459 166093953 /nfs/dbraw/zinc/09/39/53/166093953.db2.gz IWZUJJOQODPGTD-LLVKDONJSA-N 2 1 198.310 0.851 20 0 ACADMP C1CC[C@H](C[N@H+]2CCC[NH2+]CC2)OC1 36946459 166093954 /nfs/dbraw/zinc/09/39/54/166093954.db2.gz IWZUJJOQODPGTD-LLVKDONJSA-N 2 1 198.310 0.851 20 0 ACADMP C1CC[C@]2(CCC[NH2+]2)[NH2+]C1 91690534 166095085 /nfs/dbraw/zinc/09/50/85/166095085.db2.gz XRGVHTBAYZDINY-QMMMGPOBSA-N 2 1 140.230 0.840 20 0 ACADMP C1CC[C@@]2(CCC[NH2+]2)[NH2+]C1 91690533 166095126 /nfs/dbraw/zinc/09/51/26/166095126.db2.gz XRGVHTBAYZDINY-MRVPVSSYSA-N 2 1 140.230 0.840 20 0 ACADMP C1C[NH+]2CCC1C[NH2+]C2 19329507 166095982 /nfs/dbraw/zinc/09/59/82/166095982.db2.gz HAUXZAKQFMSGQW-UHFFFAOYSA-N 2 1 126.203 0.259 20 0 ACADMP C1C[NH2+][C@@H]2CC[NH2+][C@@H]2C1 95764299 166096847 /nfs/dbraw/zinc/09/68/47/166096847.db2.gz IJVGODUTGYOVKR-RNFRBKRXSA-N 2 1 126.203 0.100 20 0 ACADMP C1C[NH2+][C@@H]2CC[NH2+][C@H]2C1 95764300 166096935 /nfs/dbraw/zinc/09/69/35/166096935.db2.gz IJVGODUTGYOVKR-NKWVEPMBSA-N 2 1 126.203 0.100 20 0 ACADMP C1C[NH2+]C[C@H](CC[NH+]2CCNCC2)C1 51919463 166096992 /nfs/dbraw/zinc/09/69/92/166096992.db2.gz FEVMPSRAIMUSIO-NSHDSACASA-N 2 1 197.326 0.281 20 0 ACADMP C1C[NH2+]C[C@]2(C1)CCC[NH2+]2 91711180 166097551 /nfs/dbraw/zinc/09/75/51/166097551.db2.gz RHRMCNWRSJMIFI-QMMMGPOBSA-N 2 1 140.230 0.492 20 0 ACADMP C1C[NH2+][C@H]2CC[NH2+][C@H]2C1 95764302 166097935 /nfs/dbraw/zinc/09/79/35/166097935.db2.gz IJVGODUTGYOVKR-BQBZGAKWSA-N 2 1 126.203 0.100 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+]CC2CC2)C1 43323734 166098068 /nfs/dbraw/zinc/09/80/68/166098068.db2.gz RIHFFXUUNQISBA-SECBINFHSA-N 2 1 154.257 0.738 20 0 ACADMP C1C[NH2+]C[C@H](C[N@H+]2CCCOCC2)C1 61918646 166098455 /nfs/dbraw/zinc/09/84/55/166098455.db2.gz WQAFJJMBMKOVGG-LLVKDONJSA-N 2 1 198.310 0.708 20 0 ACADMP C1C[NH2+][C@H]2CC[NH2+][C@@H]2C1 95764301 166098831 /nfs/dbraw/zinc/09/88/31/166098831.db2.gz IJVGODUTGYOVKR-RQJHMYQMSA-N 2 1 126.203 0.100 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+]CC2CC[NH2+]CC2)C1 257812538 166098875 /nfs/dbraw/zinc/09/88/75/166098875.db2.gz BSXXTYMHNOPJAX-LLVKDONJSA-N 3 1 197.326 0.328 20 0 ACADMP C1COCC[N@@H+](CC2CC[NH2+]CC2)C1 61918699 166099360 /nfs/dbraw/zinc/09/93/60/166099360.db2.gz HCCJPTINKVDCKK-UHFFFAOYSA-N 2 1 198.310 0.708 20 0 ACADMP C1COCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 307582073 166099773 /nfs/dbraw/zinc/09/97/73/166099773.db2.gz UDRNAWFPCPURNS-QWRGUYRKSA-N 2 1 198.310 0.897 20 0 ACADMP C1COC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 43327378 166100132 /nfs/dbraw/zinc/10/01/32/166100132.db2.gz LNUCNASUDRNWLJ-QWRGUYRKSA-N 2 1 198.310 0.755 20 0 ACADMP C1COCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 61918663 166100340 /nfs/dbraw/zinc/10/03/40/166100340.db2.gz BFISBZHEZUNFCZ-JTQLQIEISA-N 2 1 184.283 0.318 20 0 ACADMP C1COCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 61918662 166100562 /nfs/dbraw/zinc/10/05/62/166100562.db2.gz BFISBZHEZUNFCZ-SNVBAGLBSA-N 2 1 184.283 0.318 20 0 ACADMP C1CO[C@H](CC[N@H+]2CCC[NH2+]CC2)C1 44510689 166101201 /nfs/dbraw/zinc/10/12/01/166101201.db2.gz LJMHVYZAIUHSQD-NSHDSACASA-N 2 1 198.310 0.851 20 0 ACADMP C1COCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 307582074 166101342 /nfs/dbraw/zinc/10/13/42/166101342.db2.gz UDRNAWFPCPURNS-WDEREUQCSA-N 2 1 198.310 0.897 20 0 ACADMP C1COCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 307582071 166101807 /nfs/dbraw/zinc/10/18/07/166101807.db2.gz UDRNAWFPCPURNS-GHMZBOCLSA-N 2 1 198.310 0.897 20 0 ACADMP C1C[C@@H]2CC[NH2+]CC[N@H+]2C1 24514121 166103059 /nfs/dbraw/zinc/10/30/59/166103059.db2.gz PXYNCQRQUOOTSQ-MRVPVSSYSA-N 2 1 140.230 0.444 20 0 ACADMP C1C[C@@H]([NH2+]CC2CC2)C[NH2+]1 67176075 166103718 /nfs/dbraw/zinc/10/37/18/166103718.db2.gz NERRUCNTYDJCEV-MRVPVSSYSA-N 2 1 140.230 0.348 20 0 ACADMP C1C[C@H]([NH2+]CC2CC2)C[NH2+]1 67176077 166105289 /nfs/dbraw/zinc/10/52/89/166105289.db2.gz NERRUCNTYDJCEV-QMMMGPOBSA-N 2 1 140.230 0.348 20 0 ACADMP C1C[C@@H]2C[C@H]3C[NH2+]C[C@H]3[N@H+]2C1 101186762 166105857 /nfs/dbraw/zinc/10/58/57/166105857.db2.gz SYZQBOYLQBDNLX-DJLDLDEBSA-N 2 1 152.241 0.443 20 0 ACADMP C1C[C@@H]2C[C@H]3C[NH2+]C[C@@H]3[N@H+]2C1 38338649 166106082 /nfs/dbraw/zinc/10/60/82/166106082.db2.gz SYZQBOYLQBDNLX-YIZRAAEISA-N 2 1 152.241 0.443 20 0 ACADMP C1C[C@H]2CC[NH2+]CC[N@H+]2C1 24514123 166107652 /nfs/dbraw/zinc/10/76/52/166107652.db2.gz PXYNCQRQUOOTSQ-QMMMGPOBSA-N 2 1 140.230 0.444 20 0 ACADMP CC1CC([NH2+][C@H]2CC[NH2+]C2)C1 123347450 166744625 /nfs/dbraw/zinc/74/46/25/166744625.db2.gz KGZSBODIZFNYQL-MGURRDGZSA-N 2 1 154.257 0.736 20 0 ACADMP CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 335044389 167002376 /nfs/dbraw/zinc/00/23/76/167002376.db2.gz YSZLCECAJFUCGB-IUCAKERBSA-N 2 1 156.273 0.984 20 0 ACADMP CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 335044361 167003803 /nfs/dbraw/zinc/00/38/03/167003803.db2.gz YSZLCECAJFUCGB-BDAKNGLRSA-N 2 1 156.273 0.984 20 0 ACADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 133882839 343928826 /nfs/dbraw/zinc/92/88/26/343928826.db2.gz PDSPKHUGJPDDCW-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP CC[N@@H+](C)CC(C)(C)C[NH3+] 51214949 167139097 /nfs/dbraw/zinc/13/90/97/167139097.db2.gz LJIAOLDHWUGOCU-UHFFFAOYSA-N 2 1 144.262 0.923 20 0 ACADMP C[C@@H](C[NH3+])[C@@]1(O)CCC[N@@H+](C)C1 134369968 343941992 /nfs/dbraw/zinc/94/19/92/343941992.db2.gz JGGMOTDWKCWWNG-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP CC[N@@H+](CCC[NH3+])C1CC1 36883464 167180026 /nfs/dbraw/zinc/18/00/26/167180026.db2.gz URKWJKAZVJRITR-UHFFFAOYSA-N 2 1 142.246 0.820 20 0 ACADMP CC[N@H+](CCO)CCn1cc[nH+]c1C 50105323 167182465 /nfs/dbraw/zinc/18/24/65/167182465.db2.gz GGZQJUCJDYEPST-UHFFFAOYSA-N 2 1 197.282 0.506 20 0 ACADMP CC[N@@H+](CCO)CCn1cc[nH+]c1C 50105323 167182468 /nfs/dbraw/zinc/18/24/68/167182468.db2.gz GGZQJUCJDYEPST-UHFFFAOYSA-N 2 1 197.282 0.506 20 0 ACADMP CC[N@H+](C[C@@H](C)[NH3+])C1CC1 37079850 167188786 /nfs/dbraw/zinc/18/87/86/167188786.db2.gz OWLWOTRNLCGBJR-SSDOTTSWSA-N 2 1 142.246 0.818 20 0 ACADMP CC[N@@H+](C[C@@H](C)[NH3+])C1CC1 37079850 167188787 /nfs/dbraw/zinc/18/87/87/167188787.db2.gz OWLWOTRNLCGBJR-SSDOTTSWSA-N 2 1 142.246 0.818 20 0 ACADMP CC[N@@H+](C[C@@H](C)O)C1CC[NH2+]CC1 37688243 167190646 /nfs/dbraw/zinc/19/06/46/167190646.db2.gz NEDLBWBXWIWCFU-SECBINFHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@H+](C[C@H](C)[NH3+])C1CC1 37079851 167191378 /nfs/dbraw/zinc/19/13/78/167191378.db2.gz OWLWOTRNLCGBJR-ZETCQYMHSA-N 2 1 142.246 0.818 20 0 ACADMP CC[N@@H+](C[C@H](C)[NH3+])C1CC1 37079851 167191380 /nfs/dbraw/zinc/19/13/80/167191380.db2.gz OWLWOTRNLCGBJR-ZETCQYMHSA-N 2 1 142.246 0.818 20 0 ACADMP CC[N@@H+](C[C@H](C)O)C1CC[NH2+]CC1 37688244 167194788 /nfs/dbraw/zinc/19/47/88/167194788.db2.gz NEDLBWBXWIWCFU-VIFPVBQESA-N 2 1 186.299 0.441 20 0 ACADMP CC[NH+]1CCC([NH2+][C@H](C)CO)CC1 35603665 167202594 /nfs/dbraw/zinc/20/25/94/167202594.db2.gz MPIDEEUAGKMNNP-SECBINFHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[NH+]1CCC([NH2+][C@@H](C)CO)CC1 35603663 167203634 /nfs/dbraw/zinc/20/36/34/167203634.db2.gz MPIDEEUAGKMNNP-VIFPVBQESA-N 2 1 186.299 0.441 20 0 ACADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC 52019550 167205588 /nfs/dbraw/zinc/20/55/88/167205588.db2.gz HLMDOYHINOBXSU-MRVPVSSYSA-N 2 1 184.287 0.214 20 0 ACADMP CC[N@H+]1CCC[C@H]1CC[NH3+] 34300410 167205996 /nfs/dbraw/zinc/20/59/96/167205996.db2.gz SEYURSMOEWBZSA-QMMMGPOBSA-N 2 1 142.246 0.820 20 0 ACADMP CC[N@H+]1CCC[C@@H]1CC[NH3+] 34300409 167207737 /nfs/dbraw/zinc/20/77/37/167207737.db2.gz SEYURSMOEWBZSA-MRVPVSSYSA-N 2 1 142.246 0.820 20 0 ACADMP CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49708944 167217663 /nfs/dbraw/zinc/21/76/63/167217663.db2.gz XMSRLZMBRAOAFU-HTQZYQBOSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 228988353 167217794 /nfs/dbraw/zinc/21/77/94/167217794.db2.gz JAGRDVPVTXDGFA-BDAKNGLRSA-N 2 1 156.273 0.923 20 0 ACADMP CC[N@H+]1CC[C@@H](NC2C[NH2+]C2)[C@@H](C)C1 335526099 167218392 /nfs/dbraw/zinc/21/83/92/167218392.db2.gz UKTVWDLZCQKQAZ-GXSJLCMTSA-N 2 1 197.326 0.278 20 0 ACADMP CCN1CC[C@@H]2[NH2+]CCO[C@H]2C1 238854918 167219534 /nfs/dbraw/zinc/21/95/34/167219534.db2.gz PNEKHLPPHFHBOC-IUCAKERBSA-N 2 1 170.256 0.069 20 0 ACADMP CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 117450478 167219659 /nfs/dbraw/zinc/21/96/59/167219659.db2.gz XMSRLZMBRAOAFU-JGVFFNPUSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 107932634 167219733 /nfs/dbraw/zinc/21/97/33/167219733.db2.gz QJPWMYOOXIVHFE-HTQZYQBOSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1CC[C@@H](NC2C[NH2+]C2)[C@H](C)C1 335526103 167219937 /nfs/dbraw/zinc/21/99/37/167219937.db2.gz UKTVWDLZCQKQAZ-MWLCHTKSSA-N 2 1 197.326 0.278 20 0 ACADMP CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 117450481 167221598 /nfs/dbraw/zinc/22/15/98/167221598.db2.gz XMSRLZMBRAOAFU-YUMQZZPRSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1CC[C@H](NC2C[NH2+]C2)[C@@H](C)C1 335526105 167222171 /nfs/dbraw/zinc/22/21/71/167222171.db2.gz UKTVWDLZCQKQAZ-ONGXEEELSA-N 2 1 197.326 0.278 20 0 ACADMP CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 228988360 167222293 /nfs/dbraw/zinc/22/22/93/167222293.db2.gz JAGRDVPVTXDGFA-IUCAKERBSA-N 2 1 156.273 0.923 20 0 ACADMP CC[N@H+]1CC[C@H](NC2C[NH2+]C2)[C@H](C)C1 335526101 167222945 /nfs/dbraw/zinc/22/29/45/167222945.db2.gz UKTVWDLZCQKQAZ-KOLCDFICSA-N 2 1 197.326 0.278 20 0 ACADMP CC[N@H+]1CC[C@H]2NCCO[C@H]2C1 238854917 167223027 /nfs/dbraw/zinc/22/30/27/167223027.db2.gz PNEKHLPPHFHBOC-BDAKNGLRSA-N 2 1 170.256 0.069 20 0 ACADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH3+] 307294007 167223812 /nfs/dbraw/zinc/22/38/12/167223812.db2.gz NACCVIKRGWXZSS-MNOVXSKESA-N 2 1 197.326 0.504 20 0 ACADMP CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49708942 167224327 /nfs/dbraw/zinc/22/43/27/167224327.db2.gz XMSRLZMBRAOAFU-SFYZADRCSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 107932632 167225159 /nfs/dbraw/zinc/22/51/59/167225159.db2.gz QJPWMYOOXIVHFE-SFYZADRCSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122336189 167226249 /nfs/dbraw/zinc/22/62/49/167226249.db2.gz MICJMLXGMQQEPG-JGVFFNPUSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1C[C@H](C[NH3+])C2(CCOCC2)C1 335397080 167227989 /nfs/dbraw/zinc/22/79/89/167227989.db2.gz UTSFFEZDTGGREI-JTQLQIEISA-N 2 1 198.310 0.694 20 0 ACADMP CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122335935 167228032 /nfs/dbraw/zinc/22/80/32/167228032.db2.gz MICJMLXGMQQEPG-YUMQZZPRSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1C[C@@H](C[NH3+])C2(CCOCC2)C1 335397081 167229457 /nfs/dbraw/zinc/22/94/57/167229457.db2.gz UTSFFEZDTGGREI-SNVBAGLBSA-N 2 1 198.310 0.694 20 0 ACADMP CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 52043903 167229852 /nfs/dbraw/zinc/22/98/52/167229852.db2.gz XDKHWYXAIUWRLW-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP CCNC(=[NH2+])NC[C@@H](C)[NH+](C)C 52043004 167230100 /nfs/dbraw/zinc/23/01/00/167230100.db2.gz REMNFEZLTVGMFK-SSDOTTSWSA-N 2 1 172.276 0.070 20 0 ACADMP CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 52042192 167230112 /nfs/dbraw/zinc/23/01/12/167230112.db2.gz QVYXWXNUMNBEMY-MRVPVSSYSA-N 2 1 184.287 0.072 20 0 ACADMP CCNC(=[NH2+])NC[C@H](C)[NH+](C)C 52043006 167230200 /nfs/dbraw/zinc/23/02/00/167230200.db2.gz REMNFEZLTVGMFK-ZETCQYMHSA-N 2 1 172.276 0.070 20 0 ACADMP CCNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 52042180 167230485 /nfs/dbraw/zinc/23/04/85/167230485.db2.gz OVLWHAXDFZVGPF-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 52043901 167230589 /nfs/dbraw/zinc/23/05/89/167230589.db2.gz XDKHWYXAIUWRLW-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 52042178 167231018 /nfs/dbraw/zinc/23/10/18/167231018.db2.gz OVLWHAXDFZVGPF-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 52042191 167231660 /nfs/dbraw/zinc/23/16/60/167231660.db2.gz QVYXWXNUMNBEMY-QMMMGPOBSA-N 2 1 184.287 0.072 20 0 ACADMP C[C@H](C[NH3+])[C@]1(O)CCC[N@@H+](C)C1 134369948 343942034 /nfs/dbraw/zinc/94/20/34/343942034.db2.gz JGGMOTDWKCWWNG-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H](C[NH3+])[C@]1(O)CCC[N@@H+](C)C1 134369927 343942053 /nfs/dbraw/zinc/94/20/53/343942053.db2.gz JGGMOTDWKCWWNG-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP CC[NH2+]C1CC[NH+](C[C@@H](C)O)CC1 37687677 167259236 /nfs/dbraw/zinc/25/92/36/167259236.db2.gz GYULMAJOVPSPBA-SECBINFHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 82456059 167259751 /nfs/dbraw/zinc/25/97/51/167259751.db2.gz IEBOFGFREVYXGW-LLVKDONJSA-N 2 1 198.310 0.849 20 0 ACADMP CC[NH2+]C1CC[NH+](C[C@H](C)O)CC1 37687678 167260215 /nfs/dbraw/zinc/26/02/15/167260215.db2.gz GYULMAJOVPSPBA-VIFPVBQESA-N 2 1 186.299 0.441 20 0 ACADMP CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 82456060 167260235 /nfs/dbraw/zinc/26/02/35/167260235.db2.gz IEBOFGFREVYXGW-NSHDSACASA-N 2 1 198.310 0.849 20 0 ACADMP CC[NH2+]CC[NH2+]C1CCC1 52212257 167264994 /nfs/dbraw/zinc/26/49/94/167264994.db2.gz SKCRNRSJGMFADH-UHFFFAOYSA-N 2 1 142.246 0.738 20 0 ACADMP CC[NH2+]CC[NH2+]C(C)C 39712249 167265849 /nfs/dbraw/zinc/26/58/49/167265849.db2.gz XKPFASDYQGMBQB-UHFFFAOYSA-N 2 1 130.235 0.594 20 0 ACADMP CC[NH2+]CC[NH2+][C@H](C)CC 39712250 167265937 /nfs/dbraw/zinc/26/59/37/167265937.db2.gz VXXAQVYRFUHUBC-MRVPVSSYSA-N 2 1 144.262 0.984 20 0 ACADMP CC[NH2+]CC[NH2+][C@@H](C)CC 39712251 167266751 /nfs/dbraw/zinc/26/67/51/167266751.db2.gz VXXAQVYRFUHUBC-QMMMGPOBSA-N 2 1 144.262 0.984 20 0 ACADMP CC[NH2+]CC[NH2+]CC1CC1 44362589 167266878 /nfs/dbraw/zinc/26/68/78/167266878.db2.gz IJKYNUJDLRCFFY-UHFFFAOYSA-N 2 1 142.246 0.596 20 0 ACADMP CC[NH2+]C[C@@H](C)[NH2+]C 53493318 167269195 /nfs/dbraw/zinc/26/91/95/167269195.db2.gz WYPOUQXPXVMTSM-ZCFIWIBFSA-N 2 1 116.208 0.204 20 0 ACADMP CC[NH2+]C[C@H](C)[NH2+]C 53493319 167270672 /nfs/dbraw/zinc/27/06/72/167270672.db2.gz WYPOUQXPXVMTSM-LURJTMIESA-N 2 1 116.208 0.204 20 0 ACADMP CC[NH2+]C[C@H]1CCCC[NH2+]1 40409219 167270888 /nfs/dbraw/zinc/27/08/88/167270888.db2.gz HXNVNBQRMGFOTB-MRVPVSSYSA-N 2 1 142.246 0.738 20 0 ACADMP CC[NH2+]C[C@@H]1CCCC[NH2+]1 40409215 167271135 /nfs/dbraw/zinc/27/11/35/167271135.db2.gz HXNVNBQRMGFOTB-QMMMGPOBSA-N 2 1 142.246 0.738 20 0 ACADMP CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 49694165 167289987 /nfs/dbraw/zinc/28/99/87/167289987.db2.gz DZKKDDDFPLHBOB-DTWKUNHWSA-N 2 1 156.273 0.936 20 0 ACADMP CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 335049184 167290675 /nfs/dbraw/zinc/29/06/75/167290675.db2.gz KCEDPQRPJYOTLK-HTQZYQBOSA-N 2 1 142.246 0.594 20 0 ACADMP CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 335049199 167292317 /nfs/dbraw/zinc/29/23/17/167292317.db2.gz KCEDPQRPJYOTLK-JGVFFNPUSA-N 2 1 142.246 0.594 20 0 ACADMP CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 49694166 167302089 /nfs/dbraw/zinc/30/20/89/167302089.db2.gz DZKKDDDFPLHBOB-IUCAKERBSA-N 2 1 156.273 0.936 20 0 ACADMP CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 335049202 167304314 /nfs/dbraw/zinc/30/43/14/167304314.db2.gz KCEDPQRPJYOTLK-YUMQZZPRSA-N 2 1 142.246 0.594 20 0 ACADMP CC[NH2+][C@H]1C[NH2+]CC[C@H]1C 335049200 167304654 /nfs/dbraw/zinc/30/46/54/167304654.db2.gz KCEDPQRPJYOTLK-SFYZADRCSA-N 2 1 142.246 0.594 20 0 ACADMP CCOC(=O)CC[N@@H+](C)CCC[NH3+] 71048780 167331591 /nfs/dbraw/zinc/33/15/91/167331591.db2.gz XQZMOBBMNDZZBP-UHFFFAOYSA-N 2 1 188.271 0.220 20 0 ACADMP CCOCCC[N@H+]1CC[C@H](C[NH3+])C1 11891418 167384611 /nfs/dbraw/zinc/38/46/11/167384611.db2.gz JPSMGPFJFXLBLX-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP CCOCCC[N@H+]1CC[C@@H](C[NH3+])C1 11891415 167385555 /nfs/dbraw/zinc/38/55/55/167385555.db2.gz JPSMGPFJFXLBLX-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP CCOCCC[N@@H+]1CCC[C@@H]([NH3+])C1 57936518 167386366 /nfs/dbraw/zinc/38/63/66/167386366.db2.gz PUFLWWWGVOUTRO-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CCOCCC[N@H+]1CCC[C@@H]([NH3+])C1 57936518 167386367 /nfs/dbraw/zinc/38/63/67/167386367.db2.gz PUFLWWWGVOUTRO-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP CCOCCC[N@@H+](C)CCC[NH3+] 49805201 167386396 /nfs/dbraw/zinc/38/63/96/167386396.db2.gz HBNYIVBSPZTVEK-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP CCOCCC[N@@H+]1CCC[NH2+]CC1 49660589 167386534 /nfs/dbraw/zinc/38/65/34/167386534.db2.gz DCDXMPOECUPSQY-UHFFFAOYSA-N 2 1 186.299 0.708 20 0 ACADMP CCOCCC[N@H+]1CCC[NH2+]CC1 49660589 167386537 /nfs/dbraw/zinc/38/65/37/167386537.db2.gz DCDXMPOECUPSQY-UHFFFAOYSA-N 2 1 186.299 0.708 20 0 ACADMP CCOCCC[N@@H+]1CCC[C@H]([NH3+])C1 57936515 167387046 /nfs/dbraw/zinc/38/70/46/167387046.db2.gz PUFLWWWGVOUTRO-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CCOCCC[N@H+]1CCC[C@H]([NH3+])C1 57936515 167387050 /nfs/dbraw/zinc/38/70/50/167387050.db2.gz PUFLWWWGVOUTRO-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49711396 167387481 /nfs/dbraw/zinc/38/74/81/167387481.db2.gz RUCPSNHUSMRJBW-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49711394 167387600 /nfs/dbraw/zinc/38/76/00/167387600.db2.gz RUCPSNHUSMRJBW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H](C)[C@@H]([NH3+])C[NH+](C)C 20074037 167625021 /nfs/dbraw/zinc/62/50/21/167625021.db2.gz YIAXVAOPTYKGNW-YUMQZZPRSA-N 2 1 144.262 0.921 20 0 ACADMP CC[C@H]1C[N@H+](CCC[NH3+])CCO1 36769217 167693195 /nfs/dbraw/zinc/69/31/95/167693195.db2.gz ZZBFDBNJBBHLQB-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@H]1C[N@@H+](CCC[NH3+])CCO1 36769217 167693196 /nfs/dbraw/zinc/69/31/96/167693196.db2.gz ZZBFDBNJBBHLQB-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CN1CC[N@@H+](C)[C@H](C2CC[NH2+]CC2)C1 82384818 167915955 /nfs/dbraw/zinc/91/59/55/167915955.db2.gz VHZSNVUQNLCBHV-NSHDSACASA-N 2 1 197.326 0.232 20 0 ACADMP C[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](C)C1 35240305 168005931 /nfs/dbraw/zinc/00/59/31/168005931.db2.gz KEXJRIODOMAVJI-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 61146817 168006406 /nfs/dbraw/zinc/00/64/06/168006406.db2.gz MFYVFUXWWWGCEN-QWRGUYRKSA-N 2 1 198.310 0.564 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC2)C1 53010255 168006757 /nfs/dbraw/zinc/00/67/57/168006757.db2.gz DVJPXDCPRKTUIQ-JTQLQIEISA-N 2 1 168.284 0.938 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCOC1 42390682 168007203 /nfs/dbraw/zinc/00/72/03/168007203.db2.gz REGLROYNZZMBOS-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCOC)C1 11891874 168007690 /nfs/dbraw/zinc/00/76/90/168007690.db2.gz KBZMLXBADQBRGX-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCOC 42390520 168008133 /nfs/dbraw/zinc/00/81/33/168008133.db2.gz OZECUSNFGYPILI-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCOC 42390520 168008135 /nfs/dbraw/zinc/00/81/35/168008135.db2.gz OZECUSNFGYPILI-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCOC 42390524 168012746 /nfs/dbraw/zinc/01/27/46/168012746.db2.gz OZECUSNFGYPILI-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCOC 42390524 168012749 /nfs/dbraw/zinc/01/27/49/168012749.db2.gz OZECUSNFGYPILI-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CCOC1 42390686 168013097 /nfs/dbraw/zinc/01/30/97/168013097.db2.gz REGLROYNZZMBOS-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 40601581 168013301 /nfs/dbraw/zinc/01/33/01/168013301.db2.gz YQDWMMXSWMNKJO-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](CCCOC)C1 11891878 168013754 /nfs/dbraw/zinc/01/37/54/168013754.db2.gz KBZMLXBADQBRGX-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CC2)C1 53010257 168013772 /nfs/dbraw/zinc/01/37/72/168013772.db2.gz DVJPXDCPRKTUIQ-SNVBAGLBSA-N 2 1 168.284 0.938 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 61146818 168014430 /nfs/dbraw/zinc/01/44/30/168014430.db2.gz MFYVFUXWWWGCEN-MNOVXSKESA-N 2 1 198.310 0.564 20 0 ACADMP C[NH2+][C@@H](C)C[NH2+]C(C)C 53493311 168032266 /nfs/dbraw/zinc/03/22/66/168032266.db2.gz DWRCCIXFGALMLN-ZETCQYMHSA-N 2 1 130.235 0.592 20 0 ACADMP C[NH2+][C@@H](C)C[NH+]1CCCC1 34369882 168032383 /nfs/dbraw/zinc/03/23/83/168032383.db2.gz VSLNKWOMKLPDMK-QMMMGPOBSA-N 2 1 142.246 0.690 20 0 ACADMP C[NH2+][C@@H](C)C[NH2+]C(C)(C)C 53493223 168032669 /nfs/dbraw/zinc/03/26/69/168032669.db2.gz SKGZRDNLVWHRRQ-ZETCQYMHSA-N 2 1 144.262 0.982 20 0 ACADMP C[NH2+][C@@H](C)C[NH2+]C1CCC1 54077213 168033204 /nfs/dbraw/zinc/03/32/04/168033204.db2.gz JQJKLFKSOBOLGD-ZETCQYMHSA-N 2 1 142.246 0.736 20 0 ACADMP C[NH2+][C@@H](C)C[NH2+]C1CC1 53493284 168033389 /nfs/dbraw/zinc/03/33/89/168033389.db2.gz QWTBARGRIRENFT-LURJTMIESA-N 2 1 128.219 0.346 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 37240216 168040577 /nfs/dbraw/zinc/04/05/77/168040577.db2.gz KLHKXEZXIXGVLY-SECBINFHSA-N 2 1 154.257 0.690 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 37240216 168040578 /nfs/dbraw/zinc/04/05/78/168040578.db2.gz KLHKXEZXIXGVLY-SECBINFHSA-N 2 1 154.257 0.690 20 0 ACADMP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 250751947 168040861 /nfs/dbraw/zinc/04/08/61/168040861.db2.gz PFDDTLBNYVWWCV-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 250751947 168040863 /nfs/dbraw/zinc/04/08/63/168040863.db2.gz PFDDTLBNYVWWCV-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 53201313 168041430 /nfs/dbraw/zinc/04/14/30/168041430.db2.gz PFDDTLBNYVWWCV-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 53201313 168041432 /nfs/dbraw/zinc/04/14/32/168041432.db2.gz PFDDTLBNYVWWCV-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](CC(C)C)C1 37241649 168042112 /nfs/dbraw/zinc/04/21/12/168042112.db2.gz UAXUJUAUDBEOLG-SECBINFHSA-N 2 1 156.273 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)C1 37241649 168042113 /nfs/dbraw/zinc/04/21/13/168042113.db2.gz UAXUJUAUDBEOLG-SECBINFHSA-N 2 1 156.273 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 250743629 168042280 /nfs/dbraw/zinc/04/22/80/168042280.db2.gz NHQODZQMDPZSFP-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 250743629 168042282 /nfs/dbraw/zinc/04/22/82/168042282.db2.gz NHQODZQMDPZSFP-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 307369872 168043212 /nfs/dbraw/zinc/04/32/12/168043212.db2.gz RLTVBHNDNZWUHJ-LLVKDONJSA-N 3 1 197.326 0.280 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 307369872 168043214 /nfs/dbraw/zinc/04/32/14/168043214.db2.gz RLTVBHNDNZWUHJ-LLVKDONJSA-N 3 1 197.326 0.280 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 61146767 168043872 /nfs/dbraw/zinc/04/38/72/168043872.db2.gz YIDCILZUUJTDDP-VHSXEESVSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 61146767 168043874 /nfs/dbraw/zinc/04/38/74/168043874.db2.gz YIDCILZUUJTDDP-VHSXEESVSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 44982005 168043948 /nfs/dbraw/zinc/04/39/48/168043948.db2.gz NHQODZQMDPZSFP-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 44982005 168043950 /nfs/dbraw/zinc/04/39/50/168043950.db2.gz NHQODZQMDPZSFP-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 250782461 168044225 /nfs/dbraw/zinc/04/42/25/168044225.db2.gz YIDCILZUUJTDDP-NXEZZACHSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 250782461 168044228 /nfs/dbraw/zinc/04/42/28/168044228.db2.gz YIDCILZUUJTDDP-NXEZZACHSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@H](C)C[NH2+]C1CC1 53493285 168049855 /nfs/dbraw/zinc/04/98/55/168049855.db2.gz QWTBARGRIRENFT-ZCFIWIBFSA-N 2 1 128.219 0.346 20 0 ACADMP C[NH2+][C@H](C)C[NH2+]C1CCC1 54077214 168050473 /nfs/dbraw/zinc/05/04/73/168050473.db2.gz JQJKLFKSOBOLGD-SSDOTTSWSA-N 2 1 142.246 0.736 20 0 ACADMP C[NH2+][C@H](C)C[NH2+]C(C)(C)C 53493225 168050516 /nfs/dbraw/zinc/05/05/16/168050516.db2.gz SKGZRDNLVWHRRQ-SSDOTTSWSA-N 2 1 144.262 0.982 20 0 ACADMP C[NH2+][C@H](C)C[NH2+]C(C)C 53493310 168051265 /nfs/dbraw/zinc/05/12/65/168051265.db2.gz DWRCCIXFGALMLN-SSDOTTSWSA-N 2 1 130.235 0.592 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 307369873 168056670 /nfs/dbraw/zinc/05/66/70/168056670.db2.gz RLTVBHNDNZWUHJ-NSHDSACASA-N 3 1 197.326 0.280 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 307369873 168056672 /nfs/dbraw/zinc/05/66/72/168056672.db2.gz RLTVBHNDNZWUHJ-NSHDSACASA-N 3 1 197.326 0.280 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 37241648 168057059 /nfs/dbraw/zinc/05/70/59/168057059.db2.gz UAXUJUAUDBEOLG-VIFPVBQESA-N 2 1 156.273 0.936 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 37241648 168057060 /nfs/dbraw/zinc/05/70/60/168057060.db2.gz UAXUJUAUDBEOLG-VIFPVBQESA-N 2 1 156.273 0.936 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 37240218 168057748 /nfs/dbraw/zinc/05/77/48/168057748.db2.gz KLHKXEZXIXGVLY-VIFPVBQESA-N 2 1 154.257 0.690 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 37240218 168057749 /nfs/dbraw/zinc/05/77/49/168057749.db2.gz KLHKXEZXIXGVLY-VIFPVBQESA-N 2 1 154.257 0.690 20 0 ACADMP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 250751950 168057881 /nfs/dbraw/zinc/05/78/81/168057881.db2.gz PFDDTLBNYVWWCV-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 250751950 168057883 /nfs/dbraw/zinc/05/78/83/168057883.db2.gz PFDDTLBNYVWWCV-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 53201314 168058429 /nfs/dbraw/zinc/05/84/29/168058429.db2.gz PFDDTLBNYVWWCV-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 53201314 168058431 /nfs/dbraw/zinc/05/84/31/168058431.db2.gz PFDDTLBNYVWWCV-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 61146768 168059532 /nfs/dbraw/zinc/05/95/32/168059532.db2.gz YIDCILZUUJTDDP-UWVGGRQHSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 61146768 168059533 /nfs/dbraw/zinc/05/95/33/168059533.db2.gz YIDCILZUUJTDDP-UWVGGRQHSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCOC2)C1 250782463 168059652 /nfs/dbraw/zinc/05/96/52/168059652.db2.gz YIDCILZUUJTDDP-ZJUUUORDSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 250782463 168059653 /nfs/dbraw/zinc/05/96/53/168059653.db2.gz YIDCILZUUJTDDP-ZJUUUORDSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 250743631 168059841 /nfs/dbraw/zinc/05/98/41/168059841.db2.gz NHQODZQMDPZSFP-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 250743631 168059844 /nfs/dbraw/zinc/05/98/44/168059844.db2.gz NHQODZQMDPZSFP-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 44982007 168060245 /nfs/dbraw/zinc/06/02/45/168060245.db2.gz NHQODZQMDPZSFP-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 44982007 168060248 /nfs/dbraw/zinc/06/02/48/168060248.db2.gz NHQODZQMDPZSFP-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP COC1CC[NH+](C[C@@H](C)[NH3+])CC1 37266080 168145414 /nfs/dbraw/zinc/14/54/14/168145414.db2.gz QHKKHIPSLNKUNT-MRVPVSSYSA-N 2 1 172.272 0.444 20 0 ACADMP COC1CC[NH+](CC(C)(C)[NH3+])CC1 40925918 168146078 /nfs/dbraw/zinc/14/60/78/168146078.db2.gz YGCAZSXDCKCDFD-UHFFFAOYSA-N 2 1 186.299 0.835 20 0 ACADMP COC1CC[NH+](C[C@H](C)[NH3+])CC1 37266079 168146192 /nfs/dbraw/zinc/14/61/92/168146192.db2.gz QHKKHIPSLNKUNT-QMMMGPOBSA-N 2 1 172.272 0.444 20 0 ACADMP COCCCC[N@@H+]1CCC[NH2+]CC1 44660088 168152004 /nfs/dbraw/zinc/15/20/04/168152004.db2.gz IUTZRAYUUZCTJP-UHFFFAOYSA-N 2 1 186.299 0.708 20 0 ACADMP COCCCC[N@H+]1CCC[NH2+]CC1 44660088 168152008 /nfs/dbraw/zinc/15/20/08/168152008.db2.gz IUTZRAYUUZCTJP-UHFFFAOYSA-N 2 1 186.299 0.708 20 0 ACADMP COCCCC[N@H+]1CC[C@@H](C[NH3+])C1 44659244 168152268 /nfs/dbraw/zinc/15/22/68/168152268.db2.gz YAPDEAISPVGOBM-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP COCCCC[N@H+]1CC[C@H](C[NH3+])C1 44659242 168152391 /nfs/dbraw/zinc/15/23/91/168152391.db2.gz YAPDEAISPVGOBM-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP COCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49710461 168153459 /nfs/dbraw/zinc/15/34/59/168153459.db2.gz SEFFRVGIMIBVBM-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49710437 168153698 /nfs/dbraw/zinc/15/36/98/168153698.db2.gz WVOMXEWCLHOOQY-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994467 168153766 /nfs/dbraw/zinc/15/37/66/168153766.db2.gz APDQSXQCGWYGER-LLVKDONJSA-N 2 1 198.310 0.708 20 0 ACADMP COCCC[N@H+]1CC[C@@H](CC[NH3+])C1 77273237 168154173 /nfs/dbraw/zinc/15/41/73/168154173.db2.gz MLEMDRWKUZIKCM-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP COCCC[N@H+]1CC[C@H](CC[NH3+])C1 77273232 168154181 /nfs/dbraw/zinc/15/41/81/168154181.db2.gz MLEMDRWKUZIKCM-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP COCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49710457 168154582 /nfs/dbraw/zinc/15/45/82/168154582.db2.gz SEFFRVGIMIBVBM-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP COCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 31994470 168155244 /nfs/dbraw/zinc/15/52/44/168155244.db2.gz APDQSXQCGWYGER-NSHDSACASA-N 2 1 198.310 0.708 20 0 ACADMP COCCC[NH2+][C@H]1CCC[NH2+]C1 43324845 168155588 /nfs/dbraw/zinc/15/55/88/168155588.db2.gz GPRAGFSXZWYFRV-VIFPVBQESA-N 2 1 172.272 0.365 20 0 ACADMP COCCC[NH2+][C@@H]1CCC[NH2+]C1 43324844 168155919 /nfs/dbraw/zinc/15/59/19/168155919.db2.gz GPRAGFSXZWYFRV-SECBINFHSA-N 2 1 172.272 0.365 20 0 ACADMP COCC[N@@H+](C)C1CC[NH2+]CC1 36301406 168157482 /nfs/dbraw/zinc/15/74/82/168157482.db2.gz UOZUNDRVESAZLS-UHFFFAOYSA-N 2 1 172.272 0.317 20 0 ACADMP COCC[N@H+](C)CCC[NH2+]C(C)C 42460075 168157826 /nfs/dbraw/zinc/15/78/26/168157826.db2.gz NWSPQBONGDFCFY-UHFFFAOYSA-N 2 1 188.315 0.953 20 0 ACADMP COCC[N@@H+](C)CCC[NH2+]C(C)C 42460075 168157828 /nfs/dbraw/zinc/15/78/28/168157828.db2.gz NWSPQBONGDFCFY-UHFFFAOYSA-N 2 1 188.315 0.953 20 0 ACADMP COCC[N@@H+](C)CC1CC[NH2+]CC1 42460232 168157904 /nfs/dbraw/zinc/15/79/04/168157904.db2.gz LSQUVQMUKWSYJZ-UHFFFAOYSA-N 2 1 186.299 0.564 20 0 ACADMP COCC[N@@H+](C)CC(C)(C)C[NH3+] 51258770 168158649 /nfs/dbraw/zinc/15/86/49/168158649.db2.gz WXXPKUAQXCQLFM-UHFFFAOYSA-N 2 1 174.288 0.550 20 0 ACADMP COCC[N@@H+](C)C1CCC([NH3+])CC1 55144501 168158876 /nfs/dbraw/zinc/15/88/76/168158876.db2.gz COBJNYCSOXLADY-UHFFFAOYSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@@H+](CCC[NH3+])CC(C)C 42367554 168159523 /nfs/dbraw/zinc/15/95/23/168159523.db2.gz NWWLNQIOWALEKK-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP COCC[N@@H+]1CCCC[C@@H]1CN 19843339 168159819 /nfs/dbraw/zinc/15/98/19/168159819.db2.gz UWFAWZPFXNTLQY-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP COCC[N@H+]1CCCC[C@@H]1CN 19843339 168159821 /nfs/dbraw/zinc/15/98/21/168159821.db2.gz UWFAWZPFXNTLQY-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP COCC[N@H+](CC(C)C)C[C@@H](C)[NH3+] 42368688 168159941 /nfs/dbraw/zinc/15/99/41/168159941.db2.gz UVIPWYYJMUMTFH-SNVBAGLBSA-N 2 1 188.315 0.938 20 0 ACADMP COCC[N@@H+](CC(C)C)C[C@@H](C)[NH3+] 42368688 168159944 /nfs/dbraw/zinc/15/99/44/168159944.db2.gz UVIPWYYJMUMTFH-SNVBAGLBSA-N 2 1 188.315 0.938 20 0 ACADMP COCC[N@H+](C1CC[NH2+]CC1)C1CC1 43501183 168160277 /nfs/dbraw/zinc/16/02/77/168160277.db2.gz SQFIBQYWWAXRLM-UHFFFAOYSA-N 2 1 198.310 0.849 20 0 ACADMP COCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 42460235 168160409 /nfs/dbraw/zinc/16/04/09/168160409.db2.gz NILKBRYMIYMNFF-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP COCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889615 168160942 /nfs/dbraw/zinc/16/09/42/168160942.db2.gz JKQCQKAXLIEUNG-SECBINFHSA-N 2 1 172.272 0.174 20 0 ACADMP COCC[N@H+](C)[C@@H](C[NH3+])C1CC1 42458556 168161092 /nfs/dbraw/zinc/16/10/92/168161092.db2.gz SKKKGKSGPUGBGL-VIFPVBQESA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@@H+](C)[C@@H](C[NH3+])C1CC1 42458556 168161094 /nfs/dbraw/zinc/16/10/94/168161094.db2.gz SKKKGKSGPUGBGL-VIFPVBQESA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 42460238 168161117 /nfs/dbraw/zinc/16/11/17/168161117.db2.gz NILKBRYMIYMNFF-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP COCC[N@@H+](C)C[C@H]1CC[NH2+]C1 51889617 168161124 /nfs/dbraw/zinc/16/11/24/168161124.db2.gz JKQCQKAXLIEUNG-VIFPVBQESA-N 2 1 172.272 0.174 20 0 ACADMP COCC[N@H+]1CCC2(CC[NH2+]CC2)C1 82531204 168161530 /nfs/dbraw/zinc/16/15/30/168161530.db2.gz IVHZWXXSSFMFQM-UHFFFAOYSA-N 2 1 198.310 0.708 20 0 ACADMP COCC[N@H+](C)[C@H](C[NH3+])C1CC1 42458558 168161635 /nfs/dbraw/zinc/16/16/35/168161635.db2.gz SKKKGKSGPUGBGL-SECBINFHSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@@H+](C)[C@H](C[NH3+])C1CC1 42458558 168161638 /nfs/dbraw/zinc/16/16/38/168161638.db2.gz SKKKGKSGPUGBGL-SECBINFHSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+](CC(C)C)C[C@H](C)[NH3+] 42368691 168162132 /nfs/dbraw/zinc/16/21/32/168162132.db2.gz UVIPWYYJMUMTFH-JTQLQIEISA-N 2 1 188.315 0.938 20 0 ACADMP COCC[N@@H+](CC(C)C)C[C@H](C)[NH3+] 42368691 168162134 /nfs/dbraw/zinc/16/21/34/168162134.db2.gz UVIPWYYJMUMTFH-JTQLQIEISA-N 2 1 188.315 0.938 20 0 ACADMP COCC[N@@H+]1CCCC[C@H]1CN 19843340 168162183 /nfs/dbraw/zinc/16/21/83/168162183.db2.gz UWFAWZPFXNTLQY-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP COCC[N@H+]1CCCC[C@H]1CN 19843340 168162186 /nfs/dbraw/zinc/16/21/86/168162186.db2.gz UWFAWZPFXNTLQY-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP COCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49709698 168162449 /nfs/dbraw/zinc/16/24/49/168162449.db2.gz LLUJHUFFIZRCBN-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709672 168162537 /nfs/dbraw/zinc/16/25/37/168162537.db2.gz UKFAZMDFAPUDIN-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306188070 168162629 /nfs/dbraw/zinc/16/26/29/168162629.db2.gz MWKQYZNBAHYBEZ-UWVGGRQHSA-N 2 1 184.283 0.174 20 0 ACADMP COCC[N@H+]1CC[C@H](CC[NH3+])C1 77264998 168162821 /nfs/dbraw/zinc/16/28/21/168162821.db2.gz XRPREZNITYLITR-VIFPVBQESA-N 2 1 172.272 0.304 20 0 ACADMP COCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 20418074 168162926 /nfs/dbraw/zinc/16/29/26/168162926.db2.gz NSZZAWSGNSNXDO-JTQLQIEISA-N 2 1 184.283 0.318 20 0 ACADMP COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306188069 168163412 /nfs/dbraw/zinc/16/34/12/168163412.db2.gz MWKQYZNBAHYBEZ-NXEZZACHSA-N 2 1 184.283 0.174 20 0 ACADMP COCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49709705 168163529 /nfs/dbraw/zinc/16/35/29/168163529.db2.gz LLUJHUFFIZRCBN-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49709675 168163748 /nfs/dbraw/zinc/16/37/48/168163748.db2.gz UKFAZMDFAPUDIN-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP COCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49709703 168163871 /nfs/dbraw/zinc/16/38/71/168163871.db2.gz LLUJHUFFIZRCBN-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[N@H+]1CC[C@@H](CC[NH3+])C1 77265006 168164197 /nfs/dbraw/zinc/16/41/97/168164197.db2.gz XRPREZNITYLITR-SECBINFHSA-N 2 1 172.272 0.304 20 0 ACADMP COCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 20418071 168164447 /nfs/dbraw/zinc/16/44/47/168164447.db2.gz NSZZAWSGNSNXDO-SNVBAGLBSA-N 2 1 184.283 0.318 20 0 ACADMP COCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709700 168164686 /nfs/dbraw/zinc/16/46/86/168164686.db2.gz LLUJHUFFIZRCBN-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306188072 168164797 /nfs/dbraw/zinc/16/47/97/168164797.db2.gz MWKQYZNBAHYBEZ-ZJUUUORDSA-N 2 1 184.283 0.174 20 0 ACADMP COCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306188071 168165004 /nfs/dbraw/zinc/16/50/04/168165004.db2.gz MWKQYZNBAHYBEZ-VHSXEESVSA-N 2 1 184.283 0.174 20 0 ACADMP COCC[C@@H](C)[N@H+]1CCC[NH2+]CC1 45044512 168172974 /nfs/dbraw/zinc/17/29/74/168172974.db2.gz VYGMNWUQWICANJ-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP COC[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51251362 168180062 /nfs/dbraw/zinc/18/00/62/168180062.db2.gz ZNYHDOMOKOGVSM-SECBINFHSA-N 2 1 188.315 0.938 20 0 ACADMP COC[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 19427190 168180554 /nfs/dbraw/zinc/18/05/54/168180554.db2.gz WPGHBCAGTGVITA-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@@H](C)[NH2+]CCn1cc[nH+]c1C 49329746 168180601 /nfs/dbraw/zinc/18/06/01/168180601.db2.gz AYBGMZCCWBSECM-SECBINFHSA-N 2 1 197.282 0.816 20 0 ACADMP COC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306242296 168180674 /nfs/dbraw/zinc/18/06/74/168180674.db2.gz AGHKGSKUNMSCMU-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 34651130 168180726 /nfs/dbraw/zinc/18/07/26/168180726.db2.gz WPGHBCAGTGVITA-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306242299 168181971 /nfs/dbraw/zinc/18/19/71/168181971.db2.gz AGHKGSKUNMSCMU-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306242300 168187523 /nfs/dbraw/zinc/18/75/23/168187523.db2.gz AGHKGSKUNMSCMU-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 19427192 168188307 /nfs/dbraw/zinc/18/83/07/168188307.db2.gz WPGHBCAGTGVITA-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51251361 168188329 /nfs/dbraw/zinc/18/83/29/168188329.db2.gz ZNYHDOMOKOGVSM-VIFPVBQESA-N 2 1 188.315 0.938 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306242301 168188410 /nfs/dbraw/zinc/18/84/10/168188410.db2.gz AGHKGSKUNMSCMU-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 34651129 168188797 /nfs/dbraw/zinc/18/87/97/168188797.db2.gz WPGHBCAGTGVITA-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP COC[C@H](C)[NH2+]CCn1cc[nH+]c1C 49329744 168190008 /nfs/dbraw/zinc/19/00/08/168190008.db2.gz AYBGMZCCWBSECM-VIFPVBQESA-N 2 1 197.282 0.816 20 0 ACADMP CO[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 220365161 168206120 /nfs/dbraw/zinc/20/61/20/168206120.db2.gz AGXXOEWZGGTAKV-SECBINFHSA-N 2 1 186.299 0.835 20 0 ACADMP CO[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 220365161 168206122 /nfs/dbraw/zinc/20/61/22/168206122.db2.gz AGXXOEWZGGTAKV-SECBINFHSA-N 2 1 186.299 0.835 20 0 ACADMP CO[C@@H]1CC[N@H+](Cc2c[nH]cn2)C1 306420738 168207039 /nfs/dbraw/zinc/20/70/39/168207039.db2.gz XQZFEOAVJUJGGC-SECBINFHSA-N 2 1 181.239 0.630 20 0 ACADMP CO[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C1 306420738 168207041 /nfs/dbraw/zinc/20/70/41/168207041.db2.gz XQZFEOAVJUJGGC-SECBINFHSA-N 2 1 181.239 0.630 20 0 ACADMP CO[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 220365229 168215923 /nfs/dbraw/zinc/21/59/23/168215923.db2.gz AGXXOEWZGGTAKV-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP CO[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 220365229 168215925 /nfs/dbraw/zinc/21/59/25/168215925.db2.gz AGXXOEWZGGTAKV-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP CO[C@H]1CC[N@H+](Cc2c[nH]cn2)C1 306298443 168217171 /nfs/dbraw/zinc/21/71/71/168217171.db2.gz XQZFEOAVJUJGGC-VIFPVBQESA-N 2 1 181.239 0.630 20 0 ACADMP CO[C@H]1CC[N@@H+](Cc2c[nH]cn2)C1 306298443 168217175 /nfs/dbraw/zinc/21/71/75/168217175.db2.gz XQZFEOAVJUJGGC-VIFPVBQESA-N 2 1 181.239 0.630 20 0 ACADMP CO[C@H]1CC[N@H+](C2CCC([NH3+])CC2)C1 91692422 168217804 /nfs/dbraw/zinc/21/78/04/168217804.db2.gz NJYWMOICVCOYSG-ILDUYXDCSA-N 2 1 198.310 0.977 20 0 ACADMP CSCC[C@@H]([NH3+])C[NH3+] 33882233 168301750 /nfs/dbraw/zinc/30/17/50/168301750.db2.gz JCPJXANXGBPYRU-RXMQYKEDSA-N 2 1 134.248 0.026 20 0 in-vitro ACADMP C[C@@H]([NH3+])C1CCN(CC(C)(C)[NH3+])CC1 307515546 168361138 /nfs/dbraw/zinc/36/11/38/168361138.db2.gz PDRDZKIXOIEYQH-SECBINFHSA-N 2 1 199.342 0.783 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CCC2(CC[NH2+]CC2)C1 306670368 168361657 /nfs/dbraw/zinc/36/16/57/168361657.db2.gz LQNPPQUBDIREJA-SNVBAGLBSA-N 3 1 197.326 0.409 20 0 ACADMP C[C@@H](N)C[N@@H+]1CCC2(CC[NH2+]CC2)C1 306670368 168361659 /nfs/dbraw/zinc/36/16/59/168361659.db2.gz LQNPPQUBDIREJA-SNVBAGLBSA-N 2 1 197.326 0.409 20 0 ACADMP C[C@@H](N)C[N@H+]1CCC2(CC[NH2+]CC2)C1 306670368 168361662 /nfs/dbraw/zinc/36/16/62/168361662.db2.gz LQNPPQUBDIREJA-SNVBAGLBSA-N 2 1 197.326 0.409 20 0 ACADMP C[C@@H]([NH3+])CN1CCC2(CC[NH2+]CC2)C1 306670368 168361663 /nfs/dbraw/zinc/36/16/63/168361663.db2.gz LQNPPQUBDIREJA-SNVBAGLBSA-N 2 1 197.326 0.409 20 0 ACADMP C[C@@H]([NH3+])C[NH+]1CCC([C@@H](C)[NH3+])CC1 306570531 168361845 /nfs/dbraw/zinc/36/18/45/168361845.db2.gz YXLAPOWNHPYQOC-RKDXNWHRSA-N 3 1 185.315 0.393 20 0 ACADMP C[C@@H](N)C[NH+]1CCC([C@@H](C)[NH3+])CC1 306570531 168361847 /nfs/dbraw/zinc/36/18/47/168361847.db2.gz YXLAPOWNHPYQOC-RKDXNWHRSA-N 2 1 185.315 0.393 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C 37910551 168361934 /nfs/dbraw/zinc/36/19/34/168361934.db2.gz KFLUMKISTBYCBH-HTQZYQBOSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CCC2(CCOCC2)C1 306367898 168362017 /nfs/dbraw/zinc/36/20/17/168362017.db2.gz APBWNKGHPHDOPS-SNVBAGLBSA-N 2 1 198.310 0.836 20 0 ACADMP C[C@@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 82478010 168362138 /nfs/dbraw/zinc/36/21/38/168362138.db2.gz ZYWRBCDLCVPRNL-SECBINFHSA-N 2 1 185.315 0.360 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CCOC2)C1 307709675 168362378 /nfs/dbraw/zinc/36/23/78/168362378.db2.gz NCTZZAAOVOQBKV-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CCOC2)C1 307709675 168362379 /nfs/dbraw/zinc/36/23/79/168362379.db2.gz NCTZZAAOVOQBKV-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 41066915 168362631 /nfs/dbraw/zinc/36/26/31/168362631.db2.gz JQHMCFYQGIGAFV-HTQZYQBOSA-N 2 1 142.246 0.675 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCCOC1 82544429 168362770 /nfs/dbraw/zinc/36/27/70/168362770.db2.gz NALXKZRHALKKRV-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CCOC2)C1 307709672 168363264 /nfs/dbraw/zinc/36/32/64/168363264.db2.gz NCTZZAAOVOQBKV-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CCOC2)C1 307709672 168363265 /nfs/dbraw/zinc/36/32/65/168363265.db2.gz NCTZZAAOVOQBKV-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@H]([NH3+])C[NH+]1CCC(C[NH3+])CC1 306366989 168363292 /nfs/dbraw/zinc/36/32/92/168363292.db2.gz BJDKNHRPZKNIRJ-MRVPVSSYSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@@H](N)C[NH+]1CCC(C[NH3+])CC1 306366989 168363294 /nfs/dbraw/zinc/36/32/94/168363294.db2.gz BJDKNHRPZKNIRJ-MRVPVSSYSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](C)C1CCC1 127354582 168363331 /nfs/dbraw/zinc/36/33/31/168363331.db2.gz FSUCZAAGQPQXLV-SSDOTTSWSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)C1CCC1 127354582 168363334 /nfs/dbraw/zinc/36/33/34/168363334.db2.gz FSUCZAAGQPQXLV-SSDOTTSWSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC1CC1 38000544 168363385 /nfs/dbraw/zinc/36/33/85/168363385.db2.gz QSVBCXZNVNVGJJ-SSDOTTSWSA-N 2 1 142.246 0.675 20 0 ACADMP C[C@@H]([NH2+]C1CC1)[C@@H]1CCC[NH2+]1 306803020 168378234 /nfs/dbraw/zinc/37/82/34/168378234.db2.gz VCFFORLMYWKSMA-APPZFPTMSA-N 2 1 154.257 0.879 20 0 ACADMP C[C@@H]([NH2+]C1CC1)[C@H]1CCC[NH2+]1 306803023 168379597 /nfs/dbraw/zinc/37/95/97/168379597.db2.gz VCFFORLMYWKSMA-VXNVDRBHSA-N 2 1 154.257 0.879 20 0 ACADMP C[C@@H]([NH2+]CC[NH3+])C(C)(C)C 36476827 168380971 /nfs/dbraw/zinc/38/09/71/168380971.db2.gz XJOJPPBHDVSJOI-SSDOTTSWSA-N 2 1 144.262 0.969 20 0 ACADMP C[C@@H](O)CC[NH2+]C1CC[NH+](C)CC1 82993315 168390086 /nfs/dbraw/zinc/39/00/86/168390086.db2.gz FSJXYTNLVFLXRI-SECBINFHSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] 51840425 168390516 /nfs/dbraw/zinc/39/05/16/168390516.db2.gz SLGPNBORWILFDF-MRVPVSSYSA-N 2 1 174.288 0.284 20 0 ACADMP C[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 44531507 168391102 /nfs/dbraw/zinc/39/11/02/168391102.db2.gz KGCWFZQGOZYCSL-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] 44559287 168392281 /nfs/dbraw/zinc/39/22/81/168392281.db2.gz VGQQIKWUQGRSGR-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] 44559287 168392284 /nfs/dbraw/zinc/39/22/84/168392284.db2.gz VGQQIKWUQGRSGR-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 306546672 168393248 /nfs/dbraw/zinc/39/32/48/168393248.db2.gz BTNSPNWLRKFBLT-MNOVXSKESA-N 2 1 198.310 0.395 20 0 ACADMP C[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 306546672 168393250 /nfs/dbraw/zinc/39/32/50/168393250.db2.gz BTNSPNWLRKFBLT-MNOVXSKESA-N 2 1 198.310 0.395 20 0 ACADMP C[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 306546672 168393251 /nfs/dbraw/zinc/39/32/51/168393251.db2.gz BTNSPNWLRKFBLT-MNOVXSKESA-N 2 1 198.310 0.395 20 0 ACADMP C[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 8534950 168394211 /nfs/dbraw/zinc/39/42/11/168394211.db2.gz PWDREPVTQIDTHS-MRVPVSSYSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 306546669 168394464 /nfs/dbraw/zinc/39/44/64/168394464.db2.gz BTNSPNWLRKFBLT-GHMZBOCLSA-N 2 1 198.310 0.395 20 0 ACADMP C[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 306546669 168394465 /nfs/dbraw/zinc/39/44/65/168394465.db2.gz BTNSPNWLRKFBLT-GHMZBOCLSA-N 2 1 198.310 0.395 20 0 ACADMP C[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 306546669 168394467 /nfs/dbraw/zinc/39/44/67/168394467.db2.gz BTNSPNWLRKFBLT-GHMZBOCLSA-N 2 1 198.310 0.395 20 0 ACADMP C[C@@H](O)C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 35601444 168394577 /nfs/dbraw/zinc/39/45/77/168394577.db2.gz LRCPEKZMONCWRC-UBJLHIIHSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44536020 168396068 /nfs/dbraw/zinc/39/60/68/168396068.db2.gz XKPCLNBWQPPPTK-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 44536024 168396478 /nfs/dbraw/zinc/39/64/78/168396478.db2.gz XKPCLNBWQPPPTK-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@@H](O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306633626 168398901 /nfs/dbraw/zinc/39/89/01/168398901.db2.gz SCRCSPMQFYSASO-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H](O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306633623 168399317 /nfs/dbraw/zinc/39/93/17/168399317.db2.gz SCRCSPMQFYSASO-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[NH+](CC[NH3+])C[C@H]1C 86008351 168452579 /nfs/dbraw/zinc/45/25/79/168452579.db2.gz KWIXUBQUGJYLIS-HTQZYQBOSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 96033548 168487650 /nfs/dbraw/zinc/48/76/50/168487650.db2.gz QCWJBGNWGOXHDB-ONGXEEELSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC1 334866059 168618304 /nfs/dbraw/zinc/61/83/04/168618304.db2.gz VXUYQGOVRAOGAZ-WCBMZHEXSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@H]1C[N@H+](CCC[NH3+])CC(C)(C)O1 45664066 168635153 /nfs/dbraw/zinc/63/51/53/168635153.db2.gz WJXFMGHNHPVNCE-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]1C[N@@H+](CCC[NH3+])CC(C)(C)O1 45664066 168635156 /nfs/dbraw/zinc/63/51/56/168635156.db2.gz WJXFMGHNHPVNCE-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 45135403 169038419 /nfs/dbraw/zinc/03/84/19/169038419.db2.gz ADRBRWSRHGXYLG-VIFPVBQESA-N 2 1 194.282 0.201 20 0 ACADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 45135403 169038420 /nfs/dbraw/zinc/03/84/20/169038420.db2.gz ADRBRWSRHGXYLG-VIFPVBQESA-N 2 1 194.282 0.201 20 0 ACADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 45135402 169038917 /nfs/dbraw/zinc/03/89/17/169038917.db2.gz ADRBRWSRHGXYLG-SECBINFHSA-N 2 1 194.282 0.201 20 0 ACADMP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 45135402 169038919 /nfs/dbraw/zinc/03/89/19/169038919.db2.gz ADRBRWSRHGXYLG-SECBINFHSA-N 2 1 194.282 0.201 20 0 ACADMP Cn1c[nH+]cc1[C@H]1C[C@H]1[NH3+] 19116600 169057088 /nfs/dbraw/zinc/05/70/88/169057088.db2.gz OUDIBYCCQHARGQ-NTSWFWBYSA-N 2 1 137.186 0.235 20 0 ACADMP Cn1c[nH+]cc1[C@@H]1C[C@@H]1[NH3+] 19116592 169058256 /nfs/dbraw/zinc/05/82/56/169058256.db2.gz OUDIBYCCQHARGQ-RITPCOANSA-N 2 1 137.186 0.235 20 0 ACADMP Cn1c[nH+]cc1[C@H]1C[C@@H]1[NH3+] 19116595 169058786 /nfs/dbraw/zinc/05/87/86/169058786.db2.gz OUDIBYCCQHARGQ-WDSKDSINSA-N 2 1 137.186 0.235 20 0 ACADMP FCCC[N@@H+]1CCC[NH2+]CC1 39081369 169077423 /nfs/dbraw/zinc/07/74/23/169077423.db2.gz SWWOCDQDQYWYQE-UHFFFAOYSA-N 2 1 160.236 0.641 20 0 ACADMP FCCC[N@H+]1CCC[NH2+]CC1 39081369 169077425 /nfs/dbraw/zinc/07/74/25/169077425.db2.gz SWWOCDQDQYWYQE-UHFFFAOYSA-N 2 1 160.236 0.641 20 0 ACADMP FCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306926073 169077727 /nfs/dbraw/zinc/07/77/27/169077727.db2.gz OVRMCNWKLCSFKY-VHSXEESVSA-N 2 1 186.274 0.887 20 0 ACADMP FCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306926074 169077744 /nfs/dbraw/zinc/07/77/44/169077744.db2.gz OVRMCNWKLCSFKY-ZJUUUORDSA-N 2 1 186.274 0.887 20 0 ACADMP FCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306926071 169079053 /nfs/dbraw/zinc/07/90/53/169079053.db2.gz OVRMCNWKLCSFKY-NXEZZACHSA-N 2 1 186.274 0.887 20 0 ACADMP FCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306926072 169079370 /nfs/dbraw/zinc/07/93/70/169079370.db2.gz OVRMCNWKLCSFKY-UWVGGRQHSA-N 2 1 186.274 0.887 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 42821821 169216553 /nfs/dbraw/zinc/21/65/53/169216553.db2.gz GTNRINPZPQLIAD-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP NC(=[NH2+])C1([NH3+])CCCC1 86456383 169135658 /nfs/dbraw/zinc/13/56/58/169135658.db2.gz FGOWKAABTZTLMP-UHFFFAOYSA-N 2 1 127.191 0.194 20 0 ACADMP [NH3+]C[C@H]1C[C@H]2Cc3nc[nH]c3C[N@H+]2C1 95828935 169216917 /nfs/dbraw/zinc/21/69/17/169216917.db2.gz KEMFZZXMRYIDEZ-SFYZADRCSA-N 2 1 192.266 0.115 20 0 ACADMP [NH3+]C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 51694596 169171833 /nfs/dbraw/zinc/17/18/33/169171833.db2.gz HUTIVGPGCONWDF-ILDUYXDCSA-N 3 1 197.326 0.598 20 0 ACADMP [NH3+]C1CCC([NH2+]Cc2ccn[nH]2)CC1 51693993 169171968 /nfs/dbraw/zinc/17/19/68/169171968.db2.gz XKOUTMDNQYUSBR-UHFFFAOYSA-N 2 1 194.282 0.769 20 0 ACADMP [NH3+]C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 51694597 169172798 /nfs/dbraw/zinc/17/27/98/169172798.db2.gz HUTIVGPGCONWDF-VQXHTEKXSA-N 3 1 197.326 0.598 20 0 ACADMP [NH3+]CCCC[NH2+][C@@H]1CCC[NH2+]C1 43327092 169181799 /nfs/dbraw/zinc/18/17/99/169181799.db2.gz YGMBMRWANRHMCM-SECBINFHSA-N 3 1 171.288 0.067 20 0 ACADMP [NH3+]CCC[N@H+]1CCC2(CC[NH2+]CC2)C1 335447254 169182103 /nfs/dbraw/zinc/18/21/03/169182103.db2.gz BFRGOBFANRWJLE-UHFFFAOYSA-N 3 1 197.326 0.411 20 0 ACADMP [NH3+]CCCC[NH2+][C@H]1CCC[NH2+]C1 43327091 169182436 /nfs/dbraw/zinc/18/24/36/169182436.db2.gz YGMBMRWANRHMCM-VIFPVBQESA-N 3 1 171.288 0.067 20 0 ACADMP [NH3+]CCC[N@H+]1CCOCC12CCCC2 307601661 169182678 /nfs/dbraw/zinc/18/26/78/169182678.db2.gz VFIIQXWKJXBNJM-UHFFFAOYSA-N 2 1 198.310 0.980 20 0 ACADMP [NH3+]CCC[N@H+]1CCOCC2(CCC2)C1 334833660 169182763 /nfs/dbraw/zinc/18/27/63/169182763.db2.gz RPOIOJQABGAMNY-UHFFFAOYSA-N 2 1 198.310 0.838 20 0 ACADMP [NH3+]CCC[N@@H+]1CCOCC12CCC2 335256049 169183026 /nfs/dbraw/zinc/18/30/26/169183026.db2.gz LCHZPRWYKUPTEK-UHFFFAOYSA-N 2 1 184.283 0.590 20 0 ACADMP [NH3+]CCC[N@H+]1CCOCC12CCC2 335256049 169183027 /nfs/dbraw/zinc/18/30/27/169183027.db2.gz LCHZPRWYKUPTEK-UHFFFAOYSA-N 2 1 184.283 0.590 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 335449206 169183201 /nfs/dbraw/zinc/18/32/01/169183201.db2.gz YBKRINHFMINTDK-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]CCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 43424306 169183581 /nfs/dbraw/zinc/18/35/81/169183581.db2.gz UCGAKUHWHZPART-VHSXEESVSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 43424306 169183583 /nfs/dbraw/zinc/18/35/83/169183583.db2.gz UCGAKUHWHZPART-VHSXEESVSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 335449218 169183605 /nfs/dbraw/zinc/18/36/05/169183605.db2.gz YWGISFCIXHCZIT-JTQLQIEISA-N 3 1 183.299 0.021 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 335449218 169183606 /nfs/dbraw/zinc/18/36/06/169183606.db2.gz YWGISFCIXHCZIT-JTQLQIEISA-N 3 1 183.299 0.021 20 0 ACADMP [NH3+]CCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 43424308 169183707 /nfs/dbraw/zinc/18/37/07/169183707.db2.gz UCGAKUHWHZPART-UWVGGRQHSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@H+]1CCO[C@H]2CCC[C@@H]21 43424308 169183708 /nfs/dbraw/zinc/18/37/08/169183708.db2.gz UCGAKUHWHZPART-UWVGGRQHSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@@H+]1CCO[C@@H]2CCC[C@H]21 43424305 169183915 /nfs/dbraw/zinc/18/39/15/169183915.db2.gz UCGAKUHWHZPART-NXEZZACHSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@H+]1CCO[C@@H]2CCC[C@H]21 43424305 169183916 /nfs/dbraw/zinc/18/39/16/169183916.db2.gz UCGAKUHWHZPART-NXEZZACHSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@@H+]1CCO[C@H]2CCC[C@H]21 43424307 169184076 /nfs/dbraw/zinc/18/40/76/169184076.db2.gz UCGAKUHWHZPART-ZJUUUORDSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@H+]1CCO[C@H]2CCC[C@H]21 43424307 169184077 /nfs/dbraw/zinc/18/40/77/169184077.db2.gz UCGAKUHWHZPART-ZJUUUORDSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+]CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 335449219 169184175 /nfs/dbraw/zinc/18/41/75/169184175.db2.gz YWGISFCIXHCZIT-SNVBAGLBSA-N 3 1 183.299 0.021 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 335449219 169184176 /nfs/dbraw/zinc/18/41/76/169184176.db2.gz YWGISFCIXHCZIT-SNVBAGLBSA-N 3 1 183.299 0.021 20 0 ACADMP [NH3+]CC[N@@H+]1CCCC2(CCOCC2)C1 306932012 169186843 /nfs/dbraw/zinc/18/68/43/169186843.db2.gz CGQCJPSNMXJCPL-UHFFFAOYSA-N 2 1 198.310 0.838 20 0 ACADMP [NH3+]CC[N@H+]1CCCC2(CCOCC2)C1 306932012 169186844 /nfs/dbraw/zinc/18/68/44/169186844.db2.gz CGQCJPSNMXJCPL-UHFFFAOYSA-N 2 1 198.310 0.838 20 0 ACADMP [NH3+]CC[N@@H+]1CCC2(CCOCC2)C1 95077571 169186911 /nfs/dbraw/zinc/18/69/11/169186911.db2.gz ZLKOUSWQYDFHBD-UHFFFAOYSA-N 2 1 184.283 0.448 20 0 ACADMP [NH3+]CC[N@H+]1CCC2(CCOCC2)C1 95077571 169186913 /nfs/dbraw/zinc/18/69/13/169186913.db2.gz ZLKOUSWQYDFHBD-UHFFFAOYSA-N 2 1 184.283 0.448 20 0 ACADMP NCC[NH+]1CCC2(CC[NH2+]C2)CC1 306208655 169187116 /nfs/dbraw/zinc/18/71/16/169187116.db2.gz LCSIIOVOAHARBP-UHFFFAOYSA-N 2 1 183.299 0.021 20 0 ACADMP [NH3+]CC[NH+]1CCC2(CC[NH2+]C2)CC1 306208655 169187118 /nfs/dbraw/zinc/18/71/18/169187118.db2.gz LCSIIOVOAHARBP-UHFFFAOYSA-N 3 1 183.299 0.021 20 0 ACADMP [NH3+]CC[N@@H+]1CC[C@]2(CCOC2)C1 306526085 169187841 /nfs/dbraw/zinc/18/78/41/169187841.db2.gz SPXTWNMAJYKTMS-VIFPVBQESA-N 2 1 170.256 0.058 20 0 ACADMP [NH3+]CC[N@H+]1CC[C@]2(CCOC2)C1 306526085 169187842 /nfs/dbraw/zinc/18/78/42/169187842.db2.gz SPXTWNMAJYKTMS-VIFPVBQESA-N 2 1 170.256 0.058 20 0 ACADMP [NH3+]CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 335405411 169187851 /nfs/dbraw/zinc/18/78/51/169187851.db2.gz DJTIUTLCIYWYEO-BDAKNGLRSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+]CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 335405411 169187853 /nfs/dbraw/zinc/18/78/53/169187853.db2.gz DJTIUTLCIYWYEO-BDAKNGLRSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+]CC[N@@H+]1CC[C@@]2(CCOC2)C1 306526084 169188840 /nfs/dbraw/zinc/18/88/40/169188840.db2.gz SPXTWNMAJYKTMS-SECBINFHSA-N 2 1 170.256 0.058 20 0 ACADMP [NH3+]CC[N@H+]1CC[C@@]2(CCOC2)C1 306526084 169188841 /nfs/dbraw/zinc/18/88/41/169188841.db2.gz SPXTWNMAJYKTMS-SECBINFHSA-N 2 1 170.256 0.058 20 0 ACADMP [NH3+]CC[NH2+][C@@H]1CCCC12CCOCC2 300897203 169189382 /nfs/dbraw/zinc/18/93/82/169189382.db2.gz ILEVKMRGDVOMHO-SNVBAGLBSA-N 2 1 198.310 0.884 20 0 ACADMP [NH3+]CC[NH2+]CC1(O)CCCCC1 50523580 169189511 /nfs/dbraw/zinc/18/95/11/169189511.db2.gz FIXNVIWVZROYPL-UHFFFAOYSA-N 2 1 172.272 0.230 20 0 ACADMP [NH3+]CC[NH2+]C1CCSCC1 37712793 169189927 /nfs/dbraw/zinc/18/99/27/169189927.db2.gz UWRRCEDDNMQAEX-UHFFFAOYSA-N 2 1 160.286 0.430 20 0 ACADMP [NH3+]CC[NH2+][C@H]1CCCC12CCOCC2 300897201 169190971 /nfs/dbraw/zinc/19/09/71/169190971.db2.gz ILEVKMRGDVOMHO-JTQLQIEISA-N 2 1 198.310 0.884 20 0 ACADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCO)C1 70074130 169193587 /nfs/dbraw/zinc/19/35/87/169193587.db2.gz ZEIMJUKZNMIHJD-VIFPVBQESA-N 2 1 172.272 0.040 20 0 ACADMP [NH3+]CC[C@H]1CCC[N@@H+](CCO)C1 70074129 169195961 /nfs/dbraw/zinc/19/59/61/169195961.db2.gz ZEIMJUKZNMIHJD-SECBINFHSA-N 2 1 172.272 0.040 20 0 ACADMP [NH3+]CCc1[nH+]cc2n1CCCC2 82403353 169200678 /nfs/dbraw/zinc/20/06/78/169200678.db2.gz HPMHZOFNSSBQGQ-UHFFFAOYSA-N 2 1 165.240 0.721 20 0 ACADMP [NH3+]C[C@@H]([C@H]1CCOC1)[NH+]1CCCC1 22171819 169205938 /nfs/dbraw/zinc/20/59/38/169205938.db2.gz LYWDLZJOPIGCMX-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 22171814 169205964 /nfs/dbraw/zinc/20/59/64/169205964.db2.gz LYWDLZJOPIGCMX-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccno2)C1 50249078 169207570 /nfs/dbraw/zinc/20/75/70/169207570.db2.gz DORNBXZLBGFAGJ-QMMMGPOBSA-N 2 1 181.239 0.455 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccno2)C1 50249078 169207572 /nfs/dbraw/zinc/20/75/72/169207572.db2.gz DORNBXZLBGFAGJ-QMMMGPOBSA-N 2 1 181.239 0.455 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 307301086 169207905 /nfs/dbraw/zinc/20/79/05/169207905.db2.gz SZWSYFYBJSOOOV-QWRGUYRKSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 307301086 169207906 /nfs/dbraw/zinc/20/79/06/169207906.db2.gz SZWSYFYBJSOOOV-QWRGUYRKSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 44390520 169207938 /nfs/dbraw/zinc/20/79/38/169207938.db2.gz QGYQCEKSCDUHPK-QWRGUYRKSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 50245143 169207966 /nfs/dbraw/zinc/20/79/66/169207966.db2.gz KKLRHKOVWQYZAL-UWVGGRQHSA-N 2 1 184.283 0.304 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cncs2)C1 95072730 169208143 /nfs/dbraw/zinc/20/81/43/169208143.db2.gz DCEBSQVCDVVWSW-QMMMGPOBSA-N 2 1 197.307 0.924 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cncs2)C1 95072730 169208145 /nfs/dbraw/zinc/20/81/45/169208145.db2.gz DCEBSQVCDVVWSW-QMMMGPOBSA-N 2 1 197.307 0.924 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 21510729 169208189 /nfs/dbraw/zinc/20/81/89/169208189.db2.gz SKHIHCJTMWFVLL-NSHDSACASA-N 2 1 191.278 0.862 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CCn2cccn2)C1 42541487 169208511 /nfs/dbraw/zinc/20/85/11/169208511.db2.gz WAVYMEBILXJEFE-JTQLQIEISA-N 2 1 194.282 0.164 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccno2)C1 44531241 169208549 /nfs/dbraw/zinc/20/85/49/169208549.db2.gz NWTCCNKYXYAWNK-VIFPVBQESA-N 2 1 195.266 0.845 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccno2)C1 44531241 169208551 /nfs/dbraw/zinc/20/85/51/169208551.db2.gz NWTCCNKYXYAWNK-VIFPVBQESA-N 2 1 195.266 0.845 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 307610391 169208556 /nfs/dbraw/zinc/20/85/56/169208556.db2.gz HJURKPRCCJKECR-NSHDSACASA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 52174693 169208589 /nfs/dbraw/zinc/20/85/89/169208589.db2.gz VXSYNKDDUVNHNL-NSHDSACASA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 251383747 169208690 /nfs/dbraw/zinc/20/86/90/169208690.db2.gz QGYQCEKSCDUHPK-WDEREUQCSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 307301088 169208716 /nfs/dbraw/zinc/20/87/16/169208716.db2.gz SZWSYFYBJSOOOV-WDEREUQCSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 307301088 169208717 /nfs/dbraw/zinc/20/87/17/169208717.db2.gz SZWSYFYBJSOOOV-WDEREUQCSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+]2CCC[C@H]12 34465149 169208803 /nfs/dbraw/zinc/20/88/03/169208803.db2.gz QQRBHSRNSWYCKJ-JGVFFNPUSA-N 2 1 140.230 0.429 20 0 ACADMP [NH3+]C[C@@H]1C[N@H+](CC2CCCC2)CCO1 48732590 169209436 /nfs/dbraw/zinc/20/94/36/169209436.db2.gz MRLAJLUQRRUADQ-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCCC2)CCO1 48732590 169209437 /nfs/dbraw/zinc/20/94/37/169209437.db2.gz MRLAJLUQRRUADQ-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1C[N@H+](CC2CCC2)CCCO1 307394694 169209864 /nfs/dbraw/zinc/20/98/64/169209864.db2.gz FCRXGTVASSDNTK-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)CCCO1 307394694 169209865 /nfs/dbraw/zinc/20/98/65/169209865.db2.gz FCRXGTVASSDNTK-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@@H]1C[C@@H]2Cc3nc[nH]c3C[N@H+]2C1 95828938 169210497 /nfs/dbraw/zinc/21/04/97/169210497.db2.gz KEMFZZXMRYIDEZ-JGVFFNPUSA-N 2 1 192.266 0.115 20 0 ACADMP [NH3+]C[C@@H]1C[C@H]2Cc3nc[nH]c3C[N@H+]2C1 95828937 169210621 /nfs/dbraw/zinc/21/06/21/169210621.db2.gz KEMFZZXMRYIDEZ-YUMQZZPRSA-N 2 1 192.266 0.115 20 0 ACADMP [NH3+]C[C@H]([C@@H]1CCOC1)[NH+]1CCCC1 22171817 169213734 /nfs/dbraw/zinc/21/37/34/169213734.db2.gz LYWDLZJOPIGCMX-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]([C@H]1CCOC1)[NH+]1CCCC1 22171823 169214437 /nfs/dbraw/zinc/21/44/37/169214437.db2.gz LYWDLZJOPIGCMX-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 36231116 169214576 /nfs/dbraw/zinc/21/45/76/169214576.db2.gz BFOZCHLNMVJODD-MNOVXSKESA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCCCO1 36231116 169214577 /nfs/dbraw/zinc/21/45/77/169214577.db2.gz BFOZCHLNMVJODD-MNOVXSKESA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 36231117 169214962 /nfs/dbraw/zinc/21/49/62/169214962.db2.gz BFOZCHLNMVJODD-GHMZBOCLSA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCCCO1 36231117 169214963 /nfs/dbraw/zinc/21/49/63/169214963.db2.gz BFOZCHLNMVJODD-GHMZBOCLSA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 44390517 169215013 /nfs/dbraw/zinc/21/50/13/169215013.db2.gz QGYQCEKSCDUHPK-MNOVXSKESA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 251383746 169215102 /nfs/dbraw/zinc/21/51/02/169215102.db2.gz QGYQCEKSCDUHPK-GHMZBOCLSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccno2)C1 44531239 169215240 /nfs/dbraw/zinc/21/52/40/169215240.db2.gz NWTCCNKYXYAWNK-SECBINFHSA-N 2 1 195.266 0.845 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccno2)C1 44531239 169215242 /nfs/dbraw/zinc/21/52/42/169215242.db2.gz NWTCCNKYXYAWNK-SECBINFHSA-N 2 1 195.266 0.845 20 0 ACADMP NC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 307388305 169215307 /nfs/dbraw/zinc/21/53/07/169215307.db2.gz GRZNRXJFNGVYJA-LLVKDONJSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CCOC1 49688944 169215567 /nfs/dbraw/zinc/21/55/67/169215567.db2.gz DCCJSMGAYJVNOY-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CCOC1 49688944 169215568 /nfs/dbraw/zinc/21/55/68/169215568.db2.gz DCCJSMGAYJVNOY-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 307610390 169215667 /nfs/dbraw/zinc/21/56/67/169215667.db2.gz HJURKPRCCJKECR-LLVKDONJSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 42821825 169215673 /nfs/dbraw/zinc/21/56/73/169215673.db2.gz GTNRINPZPQLIAD-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 44982098 169215752 /nfs/dbraw/zinc/21/57/52/169215752.db2.gz WBYDWPLBRRNQHB-MNOVXSKESA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 44982096 169215789 /nfs/dbraw/zinc/21/57/89/169215789.db2.gz WBYDWPLBRRNQHB-GHMZBOCLSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCOCC2)C1 52174695 169215854 /nfs/dbraw/zinc/21/58/54/169215854.db2.gz VXSYNKDDUVNHNL-LLVKDONJSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+]2CCC[C@H]12 34465151 169215925 /nfs/dbraw/zinc/21/59/25/169215925.db2.gz QQRBHSRNSWYCKJ-HTQZYQBOSA-N 2 1 140.230 0.429 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccncc2)C1 21510730 169216045 /nfs/dbraw/zinc/21/60/45/169216045.db2.gz SKHIHCJTMWFVLL-LLVKDONJSA-N 2 1 191.278 0.862 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+](Cc2cncs2)C1 95072729 169216161 /nfs/dbraw/zinc/21/61/61/169216161.db2.gz DCEBSQVCDVVWSW-MRVPVSSYSA-N 2 1 197.307 0.924 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cncs2)C1 95072729 169216162 /nfs/dbraw/zinc/21/61/62/169216162.db2.gz DCEBSQVCDVVWSW-MRVPVSSYSA-N 2 1 197.307 0.924 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CCn2cccn2)C1 42541484 169216258 /nfs/dbraw/zinc/21/62/58/169216258.db2.gz WAVYMEBILXJEFE-SNVBAGLBSA-N 2 1 194.282 0.164 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccno2)C1 50249076 169216368 /nfs/dbraw/zinc/21/63/68/169216368.db2.gz DORNBXZLBGFAGJ-MRVPVSSYSA-N 2 1 181.239 0.455 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccno2)C1 50249076 169216369 /nfs/dbraw/zinc/21/63/69/169216369.db2.gz DORNBXZLBGFAGJ-MRVPVSSYSA-N 2 1 181.239 0.455 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 50245144 169216407 /nfs/dbraw/zinc/21/64/07/169216407.db2.gz KKLRHKOVWQYZAL-ZJUUUORDSA-N 2 1 184.283 0.304 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 307301081 169216423 /nfs/dbraw/zinc/21/64/23/169216423.db2.gz SZWSYFYBJSOOOV-MNOVXSKESA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 307301081 169216424 /nfs/dbraw/zinc/21/64/24/169216424.db2.gz SZWSYFYBJSOOOV-MNOVXSKESA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 307301070 169216492 /nfs/dbraw/zinc/21/64/92/169216492.db2.gz SZWSYFYBJSOOOV-GHMZBOCLSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 307301070 169216493 /nfs/dbraw/zinc/21/64/93/169216493.db2.gz SZWSYFYBJSOOOV-GHMZBOCLSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 41027584 169251529 /nfs/dbraw/zinc/25/15/29/169251529.db2.gz FXDVRNFXBVTNTD-RKDXNWHRSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 41027584 169251531 /nfs/dbraw/zinc/25/15/31/169251531.db2.gz FXDVRNFXBVTNTD-RKDXNWHRSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 42372986 169251656 /nfs/dbraw/zinc/25/16/56/169251656.db2.gz GSQYMAYILCNECR-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 335387788 169251830 /nfs/dbraw/zinc/25/18/30/169251830.db2.gz SQSYBCNNFBNVPJ-GHMZBOCLSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 335387788 169251832 /nfs/dbraw/zinc/25/18/32/169251832.db2.gz SQSYBCNNFBNVPJ-GHMZBOCLSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 300362589 169251957 /nfs/dbraw/zinc/25/19/57/169251957.db2.gz NYDHYBGWPWBBKX-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 300362589 169251959 /nfs/dbraw/zinc/25/19/59/169251959.db2.gz NYDHYBGWPWBBKX-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 335387791 169252105 /nfs/dbraw/zinc/25/21/05/169252105.db2.gz SQSYBCNNFBNVPJ-WDEREUQCSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 335387791 169252106 /nfs/dbraw/zinc/25/21/06/169252106.db2.gz SQSYBCNNFBNVPJ-WDEREUQCSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 250982347 169252136 /nfs/dbraw/zinc/25/21/36/169252136.db2.gz BLQWWQLQTGAZSU-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC2CCOCC2)C1 52174687 169252178 /nfs/dbraw/zinc/25/21/78/169252178.db2.gz STYANGVRXISUNR-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 230414735 169252251 /nfs/dbraw/zinc/25/22/51/169252251.db2.gz GSQYMAYILCNECR-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC2CC2)C1 41027961 169252283 /nfs/dbraw/zinc/25/22/83/169252283.db2.gz PEZHNVSNLWKDSL-SECBINFHSA-N 2 1 154.257 0.820 20 0 ACADMP N[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 212746565 169252547 /nfs/dbraw/zinc/25/25/47/169252547.db2.gz VYJMISYTAJVRIK-LLVKDONJSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CCCN(CC2CC[NH2+]CC2)C1 212746565 169252548 /nfs/dbraw/zinc/25/25/48/169252548.db2.gz VYJMISYTAJVRIK-LLVKDONJSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 50227723 169254008 /nfs/dbraw/zinc/25/40/08/169254008.db2.gz LYSDXWPVMHANPO-DTWKUNHWSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 50227723 169254009 /nfs/dbraw/zinc/25/40/09/169254009.db2.gz LYSDXWPVMHANPO-DTWKUNHWSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 251212605 169254135 /nfs/dbraw/zinc/25/41/35/169254135.db2.gz LMYJLWUKCHKOTK-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 251212605 169254136 /nfs/dbraw/zinc/25/41/36/169254136.db2.gz LMYJLWUKCHKOTK-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP N[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 306613952 169254235 /nfs/dbraw/zinc/25/42/35/169254235.db2.gz LOAHIQCQXVFFCT-SNVBAGLBSA-N 2 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 306613952 169254236 /nfs/dbraw/zinc/25/42/36/169254236.db2.gz LOAHIQCQXVFFCT-SNVBAGLBSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 306613952 169254237 /nfs/dbraw/zinc/25/42/37/169254237.db2.gz LOAHIQCQXVFFCT-SNVBAGLBSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C2CCSCC2)C1 50228085 169254293 /nfs/dbraw/zinc/25/42/93/169254293.db2.gz OJYYIMPUUFWQID-MRVPVSSYSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C2CCSCC2)C1 50228085 169254294 /nfs/dbraw/zinc/25/42/94/169254294.db2.gz OJYYIMPUUFWQID-MRVPVSSYSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 300210467 169254409 /nfs/dbraw/zinc/25/44/09/169254409.db2.gz LJZNNPZYNRUNJI-RKDXNWHRSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 300210467 169254411 /nfs/dbraw/zinc/25/44/11/169254411.db2.gz LJZNNPZYNRUNJI-RKDXNWHRSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 300361211 169254434 /nfs/dbraw/zinc/25/44/34/169254434.db2.gz CBSQDHIJAMALMA-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 300361211 169254435 /nfs/dbraw/zinc/25/44/35/169254435.db2.gz CBSQDHIJAMALMA-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP N[C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 306866843 169254556 /nfs/dbraw/zinc/25/45/56/169254556.db2.gz OOXVFZYAUOXYJB-LLVKDONJSA-N 2 1 197.326 0.409 20 0 ACADMP N[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 306866843 169254557 /nfs/dbraw/zinc/25/45/57/169254557.db2.gz OOXVFZYAUOXYJB-LLVKDONJSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 306866843 169254559 /nfs/dbraw/zinc/25/45/59/169254559.db2.gz OOXVFZYAUOXYJB-LLVKDONJSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 306866843 169254560 /nfs/dbraw/zinc/25/45/60/169254560.db2.gz OOXVFZYAUOXYJB-LLVKDONJSA-N 3 1 197.326 0.409 20 0 ACADMP N[C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 335384931 169254571 /nfs/dbraw/zinc/25/45/71/169254571.db2.gz IJQYEQZVHDJQDC-VHSXEESVSA-N 2 1 183.299 0.019 20 0 ACADMP N[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 335384931 169254572 /nfs/dbraw/zinc/25/45/72/169254572.db2.gz IJQYEQZVHDJQDC-VHSXEESVSA-N 2 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 335384931 169254574 /nfs/dbraw/zinc/25/45/74/169254574.db2.gz IJQYEQZVHDJQDC-VHSXEESVSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 335384931 169254576 /nfs/dbraw/zinc/25/45/76/169254576.db2.gz IJQYEQZVHDJQDC-VHSXEESVSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 236304173 169254602 /nfs/dbraw/zinc/25/46/02/169254602.db2.gz CBSQDHIJAMALMA-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 236304173 169254605 /nfs/dbraw/zinc/25/46/05/169254605.db2.gz CBSQDHIJAMALMA-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP N[C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 335384929 169254616 /nfs/dbraw/zinc/25/46/16/169254616.db2.gz IJQYEQZVHDJQDC-NXEZZACHSA-N 2 1 183.299 0.019 20 0 ACADMP N[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 335384929 169254617 /nfs/dbraw/zinc/25/46/17/169254617.db2.gz IJQYEQZVHDJQDC-NXEZZACHSA-N 2 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 335384929 169254619 /nfs/dbraw/zinc/25/46/19/169254619.db2.gz IJQYEQZVHDJQDC-NXEZZACHSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 335384929 169254621 /nfs/dbraw/zinc/25/46/21/169254621.db2.gz IJQYEQZVHDJQDC-NXEZZACHSA-N 3 1 183.299 0.019 20 0 ACADMP N[C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 335390081 169254914 /nfs/dbraw/zinc/25/49/14/169254914.db2.gz YXOIMOKYDOXELT-GHMZBOCLSA-N 2 1 197.326 0.409 20 0 ACADMP N[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 335390081 169254915 /nfs/dbraw/zinc/25/49/15/169254915.db2.gz YXOIMOKYDOXELT-GHMZBOCLSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 335390081 169254916 /nfs/dbraw/zinc/25/49/16/169254916.db2.gz YXOIMOKYDOXELT-GHMZBOCLSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 335390081 169254917 /nfs/dbraw/zinc/25/49/17/169254917.db2.gz YXOIMOKYDOXELT-GHMZBOCLSA-N 3 1 197.326 0.409 20 0 ACADMP N[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390089 169255005 /nfs/dbraw/zinc/25/50/05/169255005.db2.gz YXOIMOKYDOXELT-WDEREUQCSA-N 2 1 197.326 0.409 20 0 ACADMP N[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390089 169255007 /nfs/dbraw/zinc/25/50/07/169255007.db2.gz YXOIMOKYDOXELT-WDEREUQCSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390089 169255009 /nfs/dbraw/zinc/25/50/09/169255009.db2.gz YXOIMOKYDOXELT-WDEREUQCSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390089 169255011 /nfs/dbraw/zinc/25/50/11/169255011.db2.gz YXOIMOKYDOXELT-WDEREUQCSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCSC2)C1 50227839 169255033 /nfs/dbraw/zinc/25/50/33/169255033.db2.gz JNKSDTZLAYZABE-HTQZYQBOSA-N 2 1 172.297 0.525 20 0 ACADMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCSC2)C1 50227839 169255035 /nfs/dbraw/zinc/25/50/35/169255035.db2.gz JNKSDTZLAYZABE-HTQZYQBOSA-N 2 1 172.297 0.525 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 95757625 169256461 /nfs/dbraw/zinc/25/64/61/169256461.db2.gz WVQMURCRHXPFND-VHSXEESVSA-N 2 1 180.226 0.840 20 0 ACADMP [NH3+][C@@H]1COCC[C@@H]1[NH2+]C1CCC1 91691177 169256482 /nfs/dbraw/zinc/25/64/82/169256482.db2.gz ZREAPZLUWMGTPJ-BDAKNGLRSA-N 2 1 170.256 0.245 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 39136168 169256532 /nfs/dbraw/zinc/25/65/32/169256532.db2.gz STVJPRMSEZRNNG-VHSXEESVSA-N 2 1 162.236 0.701 20 0 ACADMP [NH3+][C@@H]1COCC[C@H]1[NH2+]CC1CC1 91691208 169256598 /nfs/dbraw/zinc/25/65/98/169256598.db2.gz NQWWPCSXZLZFIM-RKDXNWHRSA-N 2 1 170.256 0.102 20 0 ACADMP [NH3+][C@@H]1COCC[C@@H]1[NH2+]C1CCCC1 91691163 169256861 /nfs/dbraw/zinc/25/68/61/169256861.db2.gz DFUYUIASQCKXMO-ZJUUUORDSA-N 2 1 184.283 0.635 20 0 ACADMP [NH3+][C@@H]1COCC[C@H]1[NH2+]C1CCCC1 91691161 169256872 /nfs/dbraw/zinc/25/68/72/169256872.db2.gz DFUYUIASQCKXMO-NXEZZACHSA-N 2 1 184.283 0.635 20 0 ACADMP [NH3+][C@@H]1COCC[C@H]1[NH2+]C1CCC1 91691175 169257464 /nfs/dbraw/zinc/25/74/64/169257464.db2.gz ZREAPZLUWMGTPJ-RKDXNWHRSA-N 2 1 170.256 0.245 20 0 ACADMP [NH3+][C@@H]1COCC[C@@H]1[NH2+]CC1CC1 91691210 169257768 /nfs/dbraw/zinc/25/77/68/169257768.db2.gz NQWWPCSXZLZFIM-BDAKNGLRSA-N 2 1 170.256 0.102 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 335387790 169271783 /nfs/dbraw/zinc/27/17/83/169271783.db2.gz SQSYBCNNFBNVPJ-QWRGUYRKSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 335387790 169271784 /nfs/dbraw/zinc/27/17/84/169271784.db2.gz SQSYBCNNFBNVPJ-QWRGUYRKSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 250982354 169272083 /nfs/dbraw/zinc/27/20/83/169272083.db2.gz BLQWWQLQTGAZSU-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC2CCOCC2)C1 52174685 169272108 /nfs/dbraw/zinc/27/21/08/169272108.db2.gz STYANGVRXISUNR-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 41027583 169272113 /nfs/dbraw/zinc/27/21/13/169272113.db2.gz FXDVRNFXBVTNTD-DTWKUNHWSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 41027583 169272114 /nfs/dbraw/zinc/27/21/14/169272114.db2.gz FXDVRNFXBVTNTD-DTWKUNHWSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 250984858 169272151 /nfs/dbraw/zinc/27/21/51/169272151.db2.gz BTZDQIKWHUCMLA-WDEREUQCSA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 250984858 169272153 /nfs/dbraw/zinc/27/21/53/169272153.db2.gz BTZDQIKWHUCMLA-WDEREUQCSA-N 2 1 198.310 0.979 20 0 ACADMP N[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 212746498 169272165 /nfs/dbraw/zinc/27/21/65/169272165.db2.gz VYJMISYTAJVRIK-NSHDSACASA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CCCN(CC2CC[NH2+]CC2)C1 212746498 169272166 /nfs/dbraw/zinc/27/21/66/169272166.db2.gz VYJMISYTAJVRIK-NSHDSACASA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 251079541 169272435 /nfs/dbraw/zinc/27/24/35/169272435.db2.gz GSQYMAYILCNECR-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 300362587 169272502 /nfs/dbraw/zinc/27/25/02/169272502.db2.gz NYDHYBGWPWBBKX-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 300362587 169272504 /nfs/dbraw/zinc/27/25/04/169272504.db2.gz NYDHYBGWPWBBKX-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC2CC2)C1 41027960 169272557 /nfs/dbraw/zinc/27/25/57/169272557.db2.gz PEZHNVSNLWKDSL-VIFPVBQESA-N 2 1 154.257 0.820 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 335387789 169272636 /nfs/dbraw/zinc/27/26/36/169272636.db2.gz SQSYBCNNFBNVPJ-MNOVXSKESA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 335387789 169272637 /nfs/dbraw/zinc/27/26/37/169272637.db2.gz SQSYBCNNFBNVPJ-MNOVXSKESA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 42372985 169272820 /nfs/dbraw/zinc/27/28/20/169272820.db2.gz GSQYMAYILCNECR-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 44981991 169274075 /nfs/dbraw/zinc/27/40/75/169274075.db2.gz LMYJLWUKCHKOTK-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 44981991 169274076 /nfs/dbraw/zinc/27/40/76/169274076.db2.gz LMYJLWUKCHKOTK-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 44981989 169274291 /nfs/dbraw/zinc/27/42/91/169274291.db2.gz LMYJLWUKCHKOTK-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 44981989 169274292 /nfs/dbraw/zinc/27/42/92/169274292.db2.gz LMYJLWUKCHKOTK-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 300361210 169274405 /nfs/dbraw/zinc/27/44/05/169274405.db2.gz CBSQDHIJAMALMA-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 300361210 169274406 /nfs/dbraw/zinc/27/44/06/169274406.db2.gz CBSQDHIJAMALMA-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 44510305 169274651 /nfs/dbraw/zinc/27/46/51/169274651.db2.gz AKGGHSKYCKFACZ-UWVGGRQHSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 44510305 169274653 /nfs/dbraw/zinc/27/46/53/169274653.db2.gz AKGGHSKYCKFACZ-UWVGGRQHSA-N 2 1 184.283 0.589 20 0 ACADMP N[C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 335384932 169274694 /nfs/dbraw/zinc/27/46/94/169274694.db2.gz IJQYEQZVHDJQDC-ZJUUUORDSA-N 2 1 183.299 0.019 20 0 ACADMP N[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 335384932 169274695 /nfs/dbraw/zinc/27/46/95/169274695.db2.gz IJQYEQZVHDJQDC-ZJUUUORDSA-N 2 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@H]2CC[NH2+]C2)C1 335384932 169274697 /nfs/dbraw/zinc/27/46/97/169274697.db2.gz IJQYEQZVHDJQDC-ZJUUUORDSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 335384932 169274699 /nfs/dbraw/zinc/27/46/99/169274699.db2.gz IJQYEQZVHDJQDC-ZJUUUORDSA-N 3 1 183.299 0.019 20 0 ACADMP N[C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390085 169274728 /nfs/dbraw/zinc/27/47/28/169274728.db2.gz YXOIMOKYDOXELT-QWRGUYRKSA-N 2 1 197.326 0.409 20 0 ACADMP N[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390085 169274729 /nfs/dbraw/zinc/27/47/29/169274729.db2.gz YXOIMOKYDOXELT-QWRGUYRKSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390085 169274730 /nfs/dbraw/zinc/27/47/30/169274730.db2.gz YXOIMOKYDOXELT-QWRGUYRKSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 335390085 169274732 /nfs/dbraw/zinc/27/47/32/169274732.db2.gz YXOIMOKYDOXELT-QWRGUYRKSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 44510304 169274873 /nfs/dbraw/zinc/27/48/73/169274873.db2.gz AKGGHSKYCKFACZ-VHSXEESVSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 44510304 169274874 /nfs/dbraw/zinc/27/48/74/169274874.db2.gz AKGGHSKYCKFACZ-VHSXEESVSA-N 2 1 184.283 0.589 20 0 ACADMP N[C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 335384930 169274950 /nfs/dbraw/zinc/27/49/50/169274950.db2.gz IJQYEQZVHDJQDC-UWVGGRQHSA-N 2 1 183.299 0.019 20 0 ACADMP N[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 335384930 169274951 /nfs/dbraw/zinc/27/49/51/169274951.db2.gz IJQYEQZVHDJQDC-UWVGGRQHSA-N 2 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 335384930 169274954 /nfs/dbraw/zinc/27/49/54/169274954.db2.gz IJQYEQZVHDJQDC-UWVGGRQHSA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 335384930 169274955 /nfs/dbraw/zinc/27/49/55/169274955.db2.gz IJQYEQZVHDJQDC-UWVGGRQHSA-N 3 1 183.299 0.019 20 0 ACADMP N[C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 335390084 169274985 /nfs/dbraw/zinc/27/49/85/169274985.db2.gz YXOIMOKYDOXELT-MNOVXSKESA-N 2 1 197.326 0.409 20 0 ACADMP N[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 335390084 169274987 /nfs/dbraw/zinc/27/49/87/169274987.db2.gz YXOIMOKYDOXELT-MNOVXSKESA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 335390084 169274988 /nfs/dbraw/zinc/27/49/88/169274988.db2.gz YXOIMOKYDOXELT-MNOVXSKESA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 335390084 169274989 /nfs/dbraw/zinc/27/49/89/169274989.db2.gz YXOIMOKYDOXELT-MNOVXSKESA-N 3 1 197.326 0.409 20 0 ACADMP N[C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 306866844 169275117 /nfs/dbraw/zinc/27/51/17/169275117.db2.gz OOXVFZYAUOXYJB-NSHDSACASA-N 2 1 197.326 0.409 20 0 ACADMP N[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 306866844 169275118 /nfs/dbraw/zinc/27/51/18/169275118.db2.gz OOXVFZYAUOXYJB-NSHDSACASA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CCC2CC[NH2+]CC2)C1 306866844 169275120 /nfs/dbraw/zinc/27/51/20/169275120.db2.gz OOXVFZYAUOXYJB-NSHDSACASA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 306866844 169275121 /nfs/dbraw/zinc/27/51/21/169275121.db2.gz OOXVFZYAUOXYJB-NSHDSACASA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 236334750 169275141 /nfs/dbraw/zinc/27/51/41/169275141.db2.gz CBSQDHIJAMALMA-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 236334750 169275142 /nfs/dbraw/zinc/27/51/42/169275142.db2.gz CBSQDHIJAMALMA-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C[C@H]2CCSC2)C1 300210466 169275148 /nfs/dbraw/zinc/27/51/48/169275148.db2.gz LJZNNPZYNRUNJI-BDAKNGLRSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 300210466 169275150 /nfs/dbraw/zinc/27/51/50/169275150.db2.gz LJZNNPZYNRUNJI-BDAKNGLRSA-N 2 1 186.324 0.773 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C2CCSCC2)C1 50228086 169275201 /nfs/dbraw/zinc/27/52/01/169275201.db2.gz OJYYIMPUUFWQID-QMMMGPOBSA-N 2 1 186.324 0.915 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C2CCSCC2)C1 50228086 169275202 /nfs/dbraw/zinc/27/52/02/169275202.db2.gz OJYYIMPUUFWQID-QMMMGPOBSA-N 2 1 186.324 0.915 20 0 ACADMP N[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 306613951 169275343 /nfs/dbraw/zinc/27/53/43/169275343.db2.gz LOAHIQCQXVFFCT-JTQLQIEISA-N 2 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 306613951 169275346 /nfs/dbraw/zinc/27/53/46/169275346.db2.gz LOAHIQCQXVFFCT-JTQLQIEISA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 306613951 169275347 /nfs/dbraw/zinc/27/53/47/169275347.db2.gz LOAHIQCQXVFFCT-JTQLQIEISA-N 3 1 183.299 0.019 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 50227724 169275370 /nfs/dbraw/zinc/27/53/70/169275370.db2.gz LYSDXWPVMHANPO-IUCAKERBSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 50227724 169275371 /nfs/dbraw/zinc/27/53/71/169275371.db2.gz LYSDXWPVMHANPO-IUCAKERBSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CCSC2)C1 50227840 169275377 /nfs/dbraw/zinc/27/53/77/169275377.db2.gz JNKSDTZLAYZABE-JGVFFNPUSA-N 2 1 172.297 0.525 20 0 ACADMP [NH3+][C@H]1CC[N@H+]([C@@H]2CCSC2)C1 50227840 169275378 /nfs/dbraw/zinc/27/53/78/169275378.db2.gz JNKSDTZLAYZABE-JGVFFNPUSA-N 2 1 172.297 0.525 20 0 ACADMP [NH3+][C@H]1COCC[C@@H]1[NH2+]C1CCCC1 91691160 169276478 /nfs/dbraw/zinc/27/64/78/169276478.db2.gz DFUYUIASQCKXMO-UWVGGRQHSA-N 2 1 184.283 0.635 20 0 ACADMP [NH3+][C@H]1COCC[C@H]1[NH2+]CC1CC1 91691204 169276807 /nfs/dbraw/zinc/27/68/07/169276807.db2.gz NQWWPCSXZLZFIM-DTWKUNHWSA-N 2 1 170.256 0.102 20 0 ACADMP [NH3+][C@H]1COCC[C@@H]1[NH2+]C1CCC1 91691173 169276994 /nfs/dbraw/zinc/27/69/94/169276994.db2.gz ZREAPZLUWMGTPJ-IUCAKERBSA-N 2 1 170.256 0.245 20 0 ACADMP [NH3+][C@H]1COCC[C@H]1[NH2+]C1CCC1 91691172 169277273 /nfs/dbraw/zinc/27/72/73/169277273.db2.gz ZREAPZLUWMGTPJ-DTWKUNHWSA-N 2 1 170.256 0.245 20 0 ACADMP [NH3+][C@H]1COCC[C@@H]1[NH2+]CC1CC1 91691206 169277275 /nfs/dbraw/zinc/27/72/75/169277275.db2.gz NQWWPCSXZLZFIM-IUCAKERBSA-N 2 1 170.256 0.102 20 0 ACADMP [NH3+][C@H]1COCC[C@H]1[NH2+]C1CCCC1 91691157 169277519 /nfs/dbraw/zinc/27/75/19/169277519.db2.gz DFUYUIASQCKXMO-VHSXEESVSA-N 2 1 184.283 0.635 20 0 ACADMP [NH3+]C[C@H]1C[N@H+](CC2CCCC2)CCO1 48732593 169217169 /nfs/dbraw/zinc/21/71/69/169217169.db2.gz MRLAJLUQRRUADQ-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1C[N@@H+](CC2CCCC2)CCO1 48732593 169217171 /nfs/dbraw/zinc/21/71/71/169217171.db2.gz MRLAJLUQRRUADQ-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1C[C@@H]2Cc3nc[nH]c3C[N@H+]2C1 95828936 169217685 /nfs/dbraw/zinc/21/76/85/169217685.db2.gz KEMFZZXMRYIDEZ-HTQZYQBOSA-N 2 1 192.266 0.115 20 0 ACADMP [NH3+]C[C@H]1C[N@H+](CC2CCC2)CCCO1 307394695 169217724 /nfs/dbraw/zinc/21/77/24/169217724.db2.gz FCRXGTVASSDNTK-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)CCCO1 307394695 169217725 /nfs/dbraw/zinc/21/77/25/169217725.db2.gz FCRXGTVASSDNTK-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP C[C@@H](C[NH3+])[C@]1(O)C[C@@H](C)[N@@H+](C)C1 148225074 344051666 /nfs/dbraw/zinc/05/16/66/344051666.db2.gz VWMSOXUBEYSWQY-YIZRAAEISA-N 2 1 172.272 0.036 20 0 ACADMP CCCc1[nH+]ccn1CC[NH3+] 69963285 171059154 /nfs/dbraw/zinc/05/91/54/171059154.db2.gz OCCXSEWXKAVNHZ-UHFFFAOYSA-N 2 1 153.229 0.794 20 0 ACADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 37690123 171065467 /nfs/dbraw/zinc/06/54/67/171065467.db2.gz KKVPRXPKBRXPFH-GHMZBOCLSA-N 2 1 198.310 0.584 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 37690122 171065704 /nfs/dbraw/zinc/06/57/04/171065704.db2.gz KKVPRXPKBRXPFH-QWRGUYRKSA-N 2 1 198.310 0.584 20 0 ACADMP CC1(C)COCC[N@@H+]1CCC[NH3+] 42461241 171085704 /nfs/dbraw/zinc/08/57/04/171085704.db2.gz OMYDYLSLLWLUCD-UHFFFAOYSA-N 2 1 172.272 0.446 20 0 ACADMP CC1(C)COCC[N@H+]1CCC[NH3+] 42461241 171085705 /nfs/dbraw/zinc/08/57/05/171085705.db2.gz OMYDYLSLLWLUCD-UHFFFAOYSA-N 2 1 172.272 0.446 20 0 ACADMP C1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 43327380 171087656 /nfs/dbraw/zinc/08/76/56/171087656.db2.gz LNUCNASUDRNWLJ-MNOVXSKESA-N 2 1 198.310 0.755 20 0 ACADMP Cn1nccc1C[N@@H+]1CC[C@H](C[NH3+])C1 50245508 171095645 /nfs/dbraw/zinc/09/56/45/171095645.db2.gz FODNYAPQEOOKGK-SECBINFHSA-N 2 1 194.282 0.201 20 0 ACADMP Cn1nccc1C[N@H+]1CC[C@H](C[NH3+])C1 50245508 171095648 /nfs/dbraw/zinc/09/56/48/171095648.db2.gz FODNYAPQEOOKGK-SECBINFHSA-N 2 1 194.282 0.201 20 0 ACADMP Cn1nccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 50245509 171096028 /nfs/dbraw/zinc/09/60/28/171096028.db2.gz FODNYAPQEOOKGK-VIFPVBQESA-N 2 1 194.282 0.201 20 0 ACADMP Cn1nccc1C[N@H+]1CC[C@@H](C[NH3+])C1 50245509 171096029 /nfs/dbraw/zinc/09/60/29/171096029.db2.gz FODNYAPQEOOKGK-VIFPVBQESA-N 2 1 194.282 0.201 20 0 ACADMP C1C[NH2+]C[C@@H](CC[NH+]2CCNCC2)C1 51919462 171097870 /nfs/dbraw/zinc/09/78/70/171097870.db2.gz FEVMPSRAIMUSIO-LLVKDONJSA-N 2 1 197.326 0.281 20 0 ACADMP C[NH+]1CCC(NCc2cnc[nH]2)CC1 54764039 171099176 /nfs/dbraw/zinc/09/91/76/171099176.db2.gz JIUUSXWCYHOCPX-UHFFFAOYSA-N 2 1 194.282 0.594 20 0 ACADMP C1C[NH2+]C[C@@H](C[N@H+]2CCCOCC2)C1 61918645 171102595 /nfs/dbraw/zinc/10/25/95/171102595.db2.gz WQAFJJMBMKOVGG-NSHDSACASA-N 2 1 198.310 0.708 20 0 ACADMP C1C[NH2+]C[C@@]2(C1)CC[NH2+]2 91690557 171134267 /nfs/dbraw/zinc/13/42/67/171134267.db2.gz NGWVMUHZQFHIFX-SSDOTTSWSA-N 2 1 126.203 0.102 20 0 ACADMP C1C[NH2+]C[C@@]2(C1)CCC[NH2+]2 91711179 171135013 /nfs/dbraw/zinc/13/50/13/171135013.db2.gz RHRMCNWRSJMIFI-MRVPVSSYSA-N 2 1 140.230 0.492 20 0 ACADMP C[N@H+]1CCC2(CC([NH3+])C2)C1 95075632 171135286 /nfs/dbraw/zinc/13/52/86/171135286.db2.gz NFACSFMOORNCER-UHFFFAOYSA-N 2 1 140.230 0.429 20 0 ACADMP C[NH+]1CCC(c2nnc(C[NH3+])o2)CC1 95828876 171140010 /nfs/dbraw/zinc/14/00/10/171140010.db2.gz PXGCGIHSWLJYTG-UHFFFAOYSA-N 2 1 196.254 0.338 20 0 ACADMP C1C[NH2+]CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 108308926 171167323 /nfs/dbraw/zinc/16/73/23/171167323.db2.gz HBVXMJGDBHDGQW-NSHDSACASA-N 3 1 197.326 0.281 20 0 ACADMP C1CNCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 108308926 171167325 /nfs/dbraw/zinc/16/73/25/171167325.db2.gz HBVXMJGDBHDGQW-NSHDSACASA-N 2 1 197.326 0.281 20 0 ACADMP C1CNCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 108308926 171167326 /nfs/dbraw/zinc/16/73/26/171167326.db2.gz HBVXMJGDBHDGQW-NSHDSACASA-N 2 1 197.326 0.281 20 0 ACADMP C1C[NH2+]CCN(CC[C@@H]2CC[NH2+]C2)C1 108308926 171167327 /nfs/dbraw/zinc/16/73/27/171167327.db2.gz HBVXMJGDBHDGQW-NSHDSACASA-N 2 1 197.326 0.281 20 0 ACADMP C1C[NH2+]CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 108308930 171167466 /nfs/dbraw/zinc/16/74/66/171167466.db2.gz HBVXMJGDBHDGQW-LLVKDONJSA-N 3 1 197.326 0.281 20 0 ACADMP C1CNCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 108308930 171167467 /nfs/dbraw/zinc/16/74/67/171167467.db2.gz HBVXMJGDBHDGQW-LLVKDONJSA-N 2 1 197.326 0.281 20 0 ACADMP C1CNCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 108308930 171167469 /nfs/dbraw/zinc/16/74/69/171167469.db2.gz HBVXMJGDBHDGQW-LLVKDONJSA-N 2 1 197.326 0.281 20 0 ACADMP C1C[NH2+]CCN(CC[C@H]2CC[NH2+]C2)C1 108308930 171167471 /nfs/dbraw/zinc/16/74/71/171167471.db2.gz HBVXMJGDBHDGQW-LLVKDONJSA-N 2 1 197.326 0.281 20 0 ACADMP C[NH+]1CCC([NH2+]CCCO)CC1 20187791 171168728 /nfs/dbraw/zinc/16/87/28/171168728.db2.gz BOFQNSCVAILRBX-UHFFFAOYSA-N 2 1 172.272 0.053 20 0 ACADMP CC[C@@H]1CC[N@H+](CC[NH3+])C1 82839227 171175751 /nfs/dbraw/zinc/17/57/51/171175751.db2.gz ZTGAOTAVNMGEPA-MRVPVSSYSA-N 2 1 142.246 0.677 20 0 ACADMP CC[C@@H]1CC[N@@H+](CC[NH3+])C1 82839227 171175753 /nfs/dbraw/zinc/17/57/53/171175753.db2.gz ZTGAOTAVNMGEPA-MRVPVSSYSA-N 2 1 142.246 0.677 20 0 ACADMP C[N@@H+]1CCCC12CC[NH+](CCO)CC2 334238352 171190981 /nfs/dbraw/zinc/19/09/81/171190981.db2.gz MOAGEFSQGFJSHH-UHFFFAOYSA-N 2 1 198.310 0.539 20 0 ACADMP C[N@H+]1CCCC12CC[NH+](CCO)CC2 334238352 171190982 /nfs/dbraw/zinc/19/09/82/171190982.db2.gz MOAGEFSQGFJSHH-UHFFFAOYSA-N 2 1 198.310 0.539 20 0 ACADMP C[C@H]1CC2(CC[NH2+]CC2)C[N@H+]1CCN 335280578 171201660 /nfs/dbraw/zinc/20/16/60/171201660.db2.gz WINPQPRRWZIXHN-JTQLQIEISA-N 2 1 197.326 0.409 20 0 ACADMP C[C@H]1CC2(CC[NH2+]CC2)C[N@@H+]1CC[NH3+] 335280578 171201662 /nfs/dbraw/zinc/20/16/62/171201662.db2.gz WINPQPRRWZIXHN-JTQLQIEISA-N 3 1 197.326 0.409 20 0 ACADMP C[C@H]1CC2(CC[NH2+]CC2)C[N@H+]1CC[NH3+] 335280578 171201665 /nfs/dbraw/zinc/20/16/65/171201665.db2.gz WINPQPRRWZIXHN-JTQLQIEISA-N 3 1 197.326 0.409 20 0 ACADMP C[C@@H]1CC2(CC[NH2+]CC2)C[N@H+]1CCN 335280579 171201688 /nfs/dbraw/zinc/20/16/88/171201688.db2.gz WINPQPRRWZIXHN-SNVBAGLBSA-N 2 1 197.326 0.409 20 0 ACADMP C[C@@H]1CC2(CC[NH2+]CC2)C[N@@H+]1CC[NH3+] 335280579 171201690 /nfs/dbraw/zinc/20/16/90/171201690.db2.gz WINPQPRRWZIXHN-SNVBAGLBSA-N 3 1 197.326 0.409 20 0 ACADMP C[C@@H]1CC2(CC[NH2+]CC2)C[N@H+]1CC[NH3+] 335280579 171201692 /nfs/dbraw/zinc/20/16/92/171201692.db2.gz WINPQPRRWZIXHN-SNVBAGLBSA-N 3 1 197.326 0.409 20 0 ACADMP C[NH+]1CCC2(CC1)[NH2+]CCO2 19772691 171213284 /nfs/dbraw/zinc/21/32/84/171213284.db2.gz PZWNEOIDEJXORB-UHFFFAOYSA-N 2 1 156.229 0.028 20 0 ACADMP C1C[NH2+]CCN(CC2CC2)C1 36765127 171217031 /nfs/dbraw/zinc/21/70/31/171217031.db2.gz AFRLYMFLBOYRAF-UHFFFAOYSA-N 2 1 154.257 0.692 20 0 ACADMP C1CNCC[N@@H+](CC2CC[NH2+]CC2)C1 43497733 171217726 /nfs/dbraw/zinc/21/77/26/171217726.db2.gz ONKLYTATAXDPSY-UHFFFAOYSA-N 2 1 197.326 0.281 20 0 ACADMP C1C[NH2+]CCN(CC2CC[NH2+]CC2)C1 43497733 171217730 /nfs/dbraw/zinc/21/77/30/171217730.db2.gz ONKLYTATAXDPSY-UHFFFAOYSA-N 2 1 197.326 0.281 20 0 ACADMP C1C[NH2+]C[C@@H]([NH2+]CC2CC2)C1 43323732 171217902 /nfs/dbraw/zinc/21/79/02/171217902.db2.gz RIHFFXUUNQISBA-VIFPVBQESA-N 2 1 154.257 0.738 20 0 ACADMP C[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 129373778 171218445 /nfs/dbraw/zinc/21/84/45/171218445.db2.gz QELHGHIVVJQPGG-UHFFFAOYSA-N 2 1 198.310 0.585 20 0 ACADMP OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 155834554 344080403 /nfs/dbraw/zinc/08/04/03/344080403.db2.gz ICZBPWIKCCVJGS-ZJUUUORDSA-N 2 1 184.283 0.195 20 0 ACADMP OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155834444 344080434 /nfs/dbraw/zinc/08/04/34/344080434.db2.gz ICZBPWIKCCVJGS-NXEZZACHSA-N 2 1 184.283 0.195 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 156537145 344090407 /nfs/dbraw/zinc/09/04/07/344090407.db2.gz JQHMCFYQGIGAFV-SFYZADRCSA-N 2 1 142.246 0.675 20 0 ACADMP C[C@@H](C[NH3+])[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 157175327 344101047 /nfs/dbraw/zinc/10/10/47/344101047.db2.gz SKWKIBMCQFQCTA-IVZWLZJFSA-N 2 1 186.299 0.426 20 0 ACADMP COCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 157213557 344101662 /nfs/dbraw/zinc/10/16/62/344101662.db2.gz DXUWDJKTBQQMMI-PHIMTYICSA-N 2 1 198.310 0.564 20 0 ACADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCOC1 158490743 344127556 /nfs/dbraw/zinc/12/75/56/344127556.db2.gz XTBUBSYIAHDFAJ-KXUCPTDWSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 160579196 344170349 /nfs/dbraw/zinc/17/03/49/344170349.db2.gz MVZDJONQRLHHEO-LPEHRKFASA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 160578964 344170355 /nfs/dbraw/zinc/17/03/55/344170355.db2.gz MVZDJONQRLHHEO-IVZWLZJFSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@H+](C)CC[NH3+] 162902863 344215575 /nfs/dbraw/zinc/21/55/75/344215575.db2.gz XGFGXMKRDFUNQR-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CC[NH3+] 162902863 344215577 /nfs/dbraw/zinc/21/55/77/344215577.db2.gz XGFGXMKRDFUNQR-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccccn1 203983118 344368845 /nfs/dbraw/zinc/36/88/45/344368845.db2.gz ZWQUPFOHGOJKTH-HTQZYQBOSA-N 2 1 163.224 0.096 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 218586488 344414143 /nfs/dbraw/zinc/41/41/43/344414143.db2.gz LMYJLWUKCHKOTK-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 218586488 344414144 /nfs/dbraw/zinc/41/41/44/344414144.db2.gz LMYJLWUKCHKOTK-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 219249247 344422122 /nfs/dbraw/zinc/42/21/22/344422122.db2.gz UZDSWLHLNKWPOR-DCAQKATOSA-N 2 1 198.310 0.584 20 0 ACADMP CC[C@H](C[NH3+])[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 226166588 344493177 /nfs/dbraw/zinc/49/31/77/344493177.db2.gz FDIPQHJACBDQDT-OPRDCNLKSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 226343770 344500470 /nfs/dbraw/zinc/50/04/70/344500470.db2.gz PNZYIMQIIMCWRU-UTLUCORTSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 226343770 344500471 /nfs/dbraw/zinc/50/04/71/344500471.db2.gz PNZYIMQIIMCWRU-UTLUCORTSA-N 2 1 186.299 0.426 20 0 ACADMP C[N@H+]1CCC[C@H]2C[NH+](CCO)CC[C@H]21 227342813 344529324 /nfs/dbraw/zinc/52/93/24/344529324.db2.gz FXAIBQFFOASGAE-WDEREUQCSA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@H]2C[N@H+](CCO)CC[C@H]21 227342813 344529325 /nfs/dbraw/zinc/52/93/25/344529325.db2.gz FXAIBQFFOASGAE-WDEREUQCSA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 227342813 344529326 /nfs/dbraw/zinc/52/93/26/344529326.db2.gz FXAIBQFFOASGAE-WDEREUQCSA-N 2 1 198.310 0.395 20 0 ACADMP C[N@H+]1CCC[C@@H]2C[NH+](CCO)CC[C@H]21 227342807 344529348 /nfs/dbraw/zinc/52/93/48/344529348.db2.gz FXAIBQFFOASGAE-GHMZBOCLSA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@@H]2C[N@H+](CCO)CC[C@H]21 227342807 344529349 /nfs/dbraw/zinc/52/93/49/344529349.db2.gz FXAIBQFFOASGAE-GHMZBOCLSA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 227342807 344529350 /nfs/dbraw/zinc/52/93/50/344529350.db2.gz FXAIBQFFOASGAE-GHMZBOCLSA-N 2 1 198.310 0.395 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 229085620 344581472 /nfs/dbraw/zinc/58/14/72/344581472.db2.gz CRKVOTPTAUSLBV-UTLUCORTSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCF 229599624 344607042 /nfs/dbraw/zinc/60/70/42/344607042.db2.gz PJTWJLSZFGUPQX-IUCAKERBSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCF 229599624 344607045 /nfs/dbraw/zinc/60/70/45/344607045.db2.gz PJTWJLSZFGUPQX-IUCAKERBSA-N 2 1 174.263 0.886 20 0 ACADMP CO[C@@H]1CC[N@H+](CC(C)(C)[NH3+])C1 234823147 344728797 /nfs/dbraw/zinc/72/87/97/344728797.db2.gz OFIGOYMGDCYQAA-MRVPVSSYSA-N 2 1 172.272 0.444 20 0 ACADMP CO[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 234823147 344728798 /nfs/dbraw/zinc/72/87/98/344728798.db2.gz OFIGOYMGDCYQAA-MRVPVSSYSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 235155608 344734471 /nfs/dbraw/zinc/73/44/71/344734471.db2.gz OVUDETBHGCFJCG-AEJSXWLSSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 235344743 344745009 /nfs/dbraw/zinc/74/50/09/344745009.db2.gz NVFVGGMMEBEUHH-GUBZILKMSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 235566995 344756025 /nfs/dbraw/zinc/75/60/25/344756025.db2.gz CRKVOTPTAUSLBV-GUBZILKMSA-N 2 1 186.299 0.284 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC2CC=CC2)C1 238571837 344813361 /nfs/dbraw/zinc/81/33/61/344813361.db2.gz HUHZZNVYRCLNMY-SNVBAGLBSA-N 2 1 166.268 0.986 20 0 ACADMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1C(F)(F)F 238642837 344816685 /nfs/dbraw/zinc/81/66/85/344816685.db2.gz RJMOXFHTFYLVDM-CRCLSJGQSA-N 2 1 168.162 0.486 20 0 ACADMP N[C@H]1CC[N@@H+](CC2CC=CC2)C1 238686597 344819058 /nfs/dbraw/zinc/81/90/58/344819058.db2.gz HUHZZNVYRCLNMY-JTQLQIEISA-N 2 1 166.268 0.986 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](CC2CC=CC2)C1 238686597 344819060 /nfs/dbraw/zinc/81/90/60/344819060.db2.gz HUHZZNVYRCLNMY-JTQLQIEISA-N 2 1 166.268 0.986 20 0 ACADMP CC(C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 250526264 344835968 /nfs/dbraw/zinc/83/59/68/344835968.db2.gz VFACUJVXVQQVOT-UWVGGRQHSA-N 2 1 168.284 0.936 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 250834706 344841940 /nfs/dbraw/zinc/84/19/40/344841940.db2.gz KKLRHKOVWQYZAL-VHSXEESVSA-N 2 1 184.283 0.304 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 250823437 344841980 /nfs/dbraw/zinc/84/19/80/344841980.db2.gz GTNRINPZPQLIAD-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 250834705 344841991 /nfs/dbraw/zinc/84/19/91/344841991.db2.gz KKLRHKOVWQYZAL-NXEZZACHSA-N 2 1 184.283 0.304 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 251099149 344847049 /nfs/dbraw/zinc/84/70/49/344847049.db2.gz JQLJRGNBYYRNPN-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@H]1C[N@H+](CCF)CC[C@H]1[NH3+] 251860726 344877480 /nfs/dbraw/zinc/87/74/80/344877480.db2.gz SKSBUVRHBXGODO-JGVFFNPUSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]1C[N@@H+](CCF)CC[C@H]1[NH3+] 251860726 344877481 /nfs/dbraw/zinc/87/74/81/344877481.db2.gz SKSBUVRHBXGODO-JGVFFNPUSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 252687684 344908343 /nfs/dbraw/zinc/90/83/43/344908343.db2.gz MAMPVJSKPRKZGQ-VGMNWLOBSA-N 2 1 172.272 0.179 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 252962106 344922953 /nfs/dbraw/zinc/92/29/53/344922953.db2.gz OUHYEPCSTOBZSU-OPRDCNLKSA-N 2 1 168.284 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 252962106 344922954 /nfs/dbraw/zinc/92/29/54/344922954.db2.gz OUHYEPCSTOBZSU-OPRDCNLKSA-N 2 1 168.284 0.936 20 0 ACADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 300037419 344964758 /nfs/dbraw/zinc/96/47/58/344964758.db2.gz CQKKXBSXWQAQOH-HBNTYKKESA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 300385622 344980735 /nfs/dbraw/zinc/98/07/35/344980735.db2.gz QZQKKROEMRKOHA-UTLUCORTSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 301034806 345030416 /nfs/dbraw/zinc/03/04/16/345030416.db2.gz SVSFCCCVJXATPE-KXUCPTDWSA-N 2 1 184.283 0.363 20 0 ACADMP C1CC1[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 306193340 345083591 /nfs/dbraw/zinc/08/35/91/345083591.db2.gz SRHKWUITUXXFPJ-FZHDAFOHSA-N 2 1 178.279 0.735 20 0 ACADMP CC1CC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 306306486 345186085 /nfs/dbraw/zinc/18/60/85/345186085.db2.gz JEGHSYRKLQITHC-VQXHTEKXSA-N 2 1 198.310 0.441 20 0 ACADMP CC1CC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 306306482 345186275 /nfs/dbraw/zinc/18/62/75/345186275.db2.gz JEGHSYRKLQITHC-ILDUYXDCSA-N 2 1 198.310 0.441 20 0 ACADMP CC1CC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 306306482 345186276 /nfs/dbraw/zinc/18/62/76/345186276.db2.gz JEGHSYRKLQITHC-ILDUYXDCSA-N 2 1 198.310 0.441 20 0 ACADMP FCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306422682 345279710 /nfs/dbraw/zinc/27/97/10/345279710.db2.gz ATNKBLMHKZFIKB-BDAKNGLRSA-N 2 1 172.247 0.640 20 0 ACADMP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1O 306463764 345324154 /nfs/dbraw/zinc/32/41/54/345324154.db2.gz ISIKTDVAYSXDQC-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1O 306463762 345324198 /nfs/dbraw/zinc/32/41/98/345324198.db2.gz ISIKTDVAYSXDQC-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCC2(CCOCC2)C1 306464569 345324842 /nfs/dbraw/zinc/32/48/42/345324842.db2.gz APBWNKGHPHDOPS-JTQLQIEISA-N 2 1 198.310 0.836 20 0 ACADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 306517985 345389145 /nfs/dbraw/zinc/38/91/45/345389145.db2.gz CWULQOKGHVSTCB-NXEZZACHSA-N 2 1 184.283 0.194 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306572510 345449670 /nfs/dbraw/zinc/44/96/70/345449670.db2.gz GTBOBDAIHKFHJU-ZJUUUORDSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCOC1 306743744 345587640 /nfs/dbraw/zinc/58/76/40/345587640.db2.gz HIZFKZBJPOYCHE-OPRDCNLKSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCOC1 306743742 345587667 /nfs/dbraw/zinc/58/76/67/345587667.db2.gz HIZFKZBJPOYCHE-BBBLOLIVSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1COCC[N@H+](CC(C)(C)[NH3+])C1 307271467 345938341 /nfs/dbraw/zinc/93/83/41/345938341.db2.gz NKUQXEKEIRPFQE-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]1COCC[N@@H+](CC(C)(C)[NH3+])C1 307271467 345938342 /nfs/dbraw/zinc/93/83/42/345938342.db2.gz NKUQXEKEIRPFQE-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCCC2)C1 307302366 345957243 /nfs/dbraw/zinc/95/72/43/345957243.db2.gz VENCWLSBUWWTBI-LLVKDONJSA-N 2 1 198.310 0.585 20 0 ACADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCCC2)C1 307302366 345957244 /nfs/dbraw/zinc/95/72/44/345957244.db2.gz VENCWLSBUWWTBI-LLVKDONJSA-N 2 1 198.310 0.585 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 307342676 345983196 /nfs/dbraw/zinc/98/31/96/345983196.db2.gz WBFWHVJTBIQRBM-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 307342673 345983204 /nfs/dbraw/zinc/98/32/04/345983204.db2.gz WBFWHVJTBIQRBM-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP CCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 307514688 346085203 /nfs/dbraw/zinc/08/52/03/346085203.db2.gz RNHSDWXOZZVNQN-SFYZADRCSA-N 2 1 142.246 0.818 20 0 ACADMP CCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 307514688 346085204 /nfs/dbraw/zinc/08/52/04/346085204.db2.gz RNHSDWXOZZVNQN-SFYZADRCSA-N 2 1 142.246 0.818 20 0 ACADMP CCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 307514685 346085229 /nfs/dbraw/zinc/08/52/29/346085229.db2.gz RNHSDWXOZZVNQN-HTQZYQBOSA-N 2 1 142.246 0.818 20 0 ACADMP CCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 307514685 346085230 /nfs/dbraw/zinc/08/52/30/346085230.db2.gz RNHSDWXOZZVNQN-HTQZYQBOSA-N 2 1 142.246 0.818 20 0 ACADMP CCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 307514689 346085237 /nfs/dbraw/zinc/08/52/37/346085237.db2.gz RNHSDWXOZZVNQN-YUMQZZPRSA-N 2 1 142.246 0.818 20 0 ACADMP CCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 307514689 346085238 /nfs/dbraw/zinc/08/52/38/346085238.db2.gz RNHSDWXOZZVNQN-YUMQZZPRSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CCOC2)C1 307709673 346196573 /nfs/dbraw/zinc/19/65/73/346196573.db2.gz NCTZZAAOVOQBKV-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@]2(CCOC2)C1 307709673 346196574 /nfs/dbraw/zinc/19/65/74/346196574.db2.gz NCTZZAAOVOQBKV-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@H](C)[NH3+] 308133862 346258937 /nfs/dbraw/zinc/25/89/37/346258937.db2.gz GVXBVMODZHGKQQ-SFYZADRCSA-N 2 1 188.271 0.075 20 0 ACADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 308092055 346255957 /nfs/dbraw/zinc/25/59/57/346255957.db2.gz IJUKRMARZHIGHC-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP COC1(C[NH2+][C@H](C)C[NH3+])CCCC1 379397894 346516065 /nfs/dbraw/zinc/51/60/65/346516065.db2.gz YROSJYFDTTYPAK-SECBINFHSA-N 2 1 186.299 0.882 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]([NH3+])C1 622044660 347236653 /nfs/dbraw/zinc/23/66/53/347236653.db2.gz OORVLAXXFUTQCJ-GUBZILKMSA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 622045747 347239439 /nfs/dbraw/zinc/23/94/39/347239439.db2.gz ULNODCGVGMKPRH-GARJFASQSA-N 2 1 199.342 0.796 20 0 ACADMP CCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621778302 347233770 /nfs/dbraw/zinc/23/37/70/347233770.db2.gz NSVJELWBWNAMNT-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)NC[C@H]1CCC[N@H+]1C 629518848 347344933 /nfs/dbraw/zinc/34/49/33/347344933.db2.gz MERFNVDFOVWEFP-HBNTYKKESA-N 2 1 199.342 0.796 20 0 ACADMP Cn1ccc(C[N@@H+](C)C2CC([NH3+])C2)c1 629655196 347355027 /nfs/dbraw/zinc/35/50/27/347355027.db2.gz TYCKZHQECGOTNJ-UHFFFAOYSA-N 2 1 193.294 0.947 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 631827651 347388087 /nfs/dbraw/zinc/38/80/87/347388087.db2.gz SNSUKAUOWIYBIQ-VPOLOUISSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]1C[C@H](N)C[N@H+]1CC1CC[NH2+]CC1 631856345 347392069 /nfs/dbraw/zinc/39/20/69/347392069.db2.gz ICFJFAUWAWAZHY-ONGXEEELSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CC[NH2+]CC1 631856345 347392070 /nfs/dbraw/zinc/39/20/70/347392070.db2.gz ICFJFAUWAWAZHY-ONGXEEELSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CC[NH2+]CC1 631856345 347392071 /nfs/dbraw/zinc/39/20/71/347392071.db2.gz ICFJFAUWAWAZHY-ONGXEEELSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCOC2)C1 300352715 351895623 /nfs/dbraw/zinc/89/56/23/351895623.db2.gz ORSJUBQQUFNFKD-MNOVXSKESA-N 2 1 198.310 0.694 20 0 ACADMP CCCC[N@H+]1CCCO[C@H](C[NH3+])C1 313378958 352054899 /nfs/dbraw/zinc/05/48/99/352054899.db2.gz NZNFNLRKKORFMH-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2C[C@H]21 575545121 352620953 /nfs/dbraw/zinc/62/09/53/352620953.db2.gz ZRAHIUVURDNMKC-VPOLOUISSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCC[NH2+]C1 643497175 352971228 /nfs/dbraw/zinc/97/12/28/352971228.db2.gz KHCHROOVGBFAMH-QWRGUYRKSA-N 3 1 199.342 0.846 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 643498616 352971960 /nfs/dbraw/zinc/97/19/60/352971960.db2.gz MCUAQTUEZSBJLZ-WDEREUQCSA-N 3 1 199.342 0.703 20 0 ACADMP C[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 643498615 352971966 /nfs/dbraw/zinc/97/19/66/352971966.db2.gz MCUAQTUEZSBJLZ-QWRGUYRKSA-N 3 1 199.342 0.703 20 0 ACADMP C[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@H]1C 643504483 352975939 /nfs/dbraw/zinc/97/59/39/352975939.db2.gz WXGJMIWTQTZNCX-MWLCHTKSSA-N 2 1 197.326 0.278 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](OC)C1 643504579 352976171 /nfs/dbraw/zinc/97/61/71/352976171.db2.gz KVPSFCVDJRSFTI-UWVGGRQHSA-N 2 1 186.299 0.753 20 0 ACADMP CC[C@@H](CO)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643483162 352961943 /nfs/dbraw/zinc/96/19/43/352961943.db2.gz QCWJRVMNNCBAMG-KXUCPTDWSA-N 2 1 186.299 0.345 20 0 ACADMP CO[C@@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643483454 352962755 /nfs/dbraw/zinc/96/27/55/352962755.db2.gz FDNHOBPNDJDPGR-IVZWLZJFSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@@H]([NH3+])C[NH+]1CCC(CC[NH3+])CC1 652359948 409356000 /nfs/dbraw/zinc/35/60/00/409356000.db2.gz LVNHIOZBYANONS-SECBINFHSA-N 3 1 185.315 0.394 20 0 ACADMP COCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63195905 409405569 /nfs/dbraw/zinc/40/55/69/409405569.db2.gz RWBMYWVKSYBGOW-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H](C[NH3+])[N@H+](C)CC[C@@H]1CCCO1 125516565 409473811 /nfs/dbraw/zinc/47/38/11/409473811.db2.gz OMCPAIQFXNRCPJ-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 379629088 409860621 /nfs/dbraw/zinc/86/06/21/409860621.db2.gz LWAXQCOWDUUDQG-UWVGGRQHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(O)CC1 665297230 409871733 /nfs/dbraw/zinc/87/17/33/409871733.db2.gz BMQPXARQNFXAPV-XNWIYYODSA-N 2 1 186.299 0.487 20 0 ACADMP C[N@@H+](CCC[NH3+])CCc1ccncc1 4226738 342988801 /nfs/dbraw/zinc/98/88/01/342988801.db2.gz CBMRCRJFSQPKNV-UHFFFAOYSA-N 2 1 193.294 0.905 20 0 ACADMP CC[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 11885752 343026100 /nfs/dbraw/zinc/02/61/00/343026100.db2.gz HTNAVRGLXJMJFN-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP CC[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 11885752 343026101 /nfs/dbraw/zinc/02/61/01/343026101.db2.gz HTNAVRGLXJMJFN-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP C[N@@H+]1CCc2nc(CC[NH3+])sc2C1 11886850 343026259 /nfs/dbraw/zinc/02/62/59/343026259.db2.gz AGPAEEVEGLNBKI-UHFFFAOYSA-N 2 1 197.307 0.632 20 0 ACADMP C[N@H+]1CCc2nc(CC[NH3+])sc2C1 11886850 343026262 /nfs/dbraw/zinc/02/62/62/343026262.db2.gz AGPAEEVEGLNBKI-UHFFFAOYSA-N 2 1 197.307 0.632 20 0 ACADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 19471969 343055465 /nfs/dbraw/zinc/05/54/65/343055465.db2.gz JQTZMNYEVFZYSZ-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@H](C)[C@H]([NH3+])C[NH+](C)C 20074042 343066728 /nfs/dbraw/zinc/06/67/28/343066728.db2.gz YIAXVAOPTYKGNW-JGVFFNPUSA-N 2 1 144.262 0.921 20 0 ACADMP CC(C)[N@H+](C)C[C@@H](C)[NH3+] 22212708 343080758 /nfs/dbraw/zinc/08/07/58/343080758.db2.gz JGPLGXKAPTVKMX-SSDOTTSWSA-N 2 1 130.235 0.674 20 0 in-vitro ACADMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1C 22441474 343081250 /nfs/dbraw/zinc/08/12/50/343081250.db2.gz RPMVELKOENZIBB-NTSWFWBYSA-N 2 1 114.192 0.038 20 0 ACADMP C[C@H]1[C@H]([NH3+])CC[N@H+]1C 22441474 343081252 /nfs/dbraw/zinc/08/12/52/343081252.db2.gz RPMVELKOENZIBB-NTSWFWBYSA-N 2 1 114.192 0.038 20 0 ACADMP NCC[NH+]1CCC(CC[NH3+])CC1 34330594 343116794 /nfs/dbraw/zinc/11/67/94/343116794.db2.gz GSVWFTWEGUCFQH-UHFFFAOYSA-N 2 1 171.288 0.006 20 0 ACADMP C[C@H]1C[N@H+](CCC[NH3+])[C@H](C)CO1 35782996 343139272 /nfs/dbraw/zinc/13/92/72/343139272.db2.gz LLIDOIWHCJCBFJ-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1C[N@@H+](CCC[NH3+])[C@H](C)CO1 35782996 343139273 /nfs/dbraw/zinc/13/92/73/343139273.db2.gz LLIDOIWHCJCBFJ-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP CC1(C)C[N@H+](CCC[NH3+])CCO1 36231968 343142166 /nfs/dbraw/zinc/14/21/66/343142166.db2.gz DPHATODZRHQYHA-UHFFFAOYSA-N 2 1 172.272 0.446 20 0 ACADMP CC1(C)C[N@@H+](CCC[NH3+])CCO1 36231968 343142167 /nfs/dbraw/zinc/14/21/67/343142167.db2.gz DPHATODZRHQYHA-UHFFFAOYSA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@@H]1CCC[N@@H+]1CC[NH3+] 37913199 343181002 /nfs/dbraw/zinc/18/10/02/343181002.db2.gz QESORVOQOBIWDC-MRVPVSSYSA-N 2 1 142.246 0.820 20 0 ACADMP CC[C@@H]1CCC[N@H+]1CC[NH3+] 37913199 343181003 /nfs/dbraw/zinc/18/10/03/343181003.db2.gz QESORVOQOBIWDC-MRVPVSSYSA-N 2 1 142.246 0.820 20 0 ACADMP C[N@H+]1CCC[C@@]1(C)C[NH3+] 36518881 343146819 /nfs/dbraw/zinc/14/68/19/343146819.db2.gz BEGAGOQBISEITR-ZETCQYMHSA-N 2 1 128.219 0.429 20 0 ACADMP C[N@H+]1CCC[C@]1(C)C[NH3+] 36518879 343146899 /nfs/dbraw/zinc/14/68/99/343146899.db2.gz BEGAGOQBISEITR-SSDOTTSWSA-N 2 1 128.219 0.429 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCC[NH2+]CC1 37688249 343174199 /nfs/dbraw/zinc/17/41/99/343174199.db2.gz DJMJYPMGINYIIO-VIFPVBQESA-N 2 1 172.272 0.053 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[NH2+]CC1 37688249 343174202 /nfs/dbraw/zinc/17/42/02/343174202.db2.gz DJMJYPMGINYIIO-VIFPVBQESA-N 2 1 172.272 0.053 20 0 ACADMP CC[C@H]([NH2+]CC[NH3+])C(C)C 37712922 343176263 /nfs/dbraw/zinc/17/62/63/343176263.db2.gz BZQGGVZIRUIQJN-QMMMGPOBSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@@H]([NH2+]CC[NH3+])C(C)C 37712923 343176289 /nfs/dbraw/zinc/17/62/89/343176289.db2.gz BZQGGVZIRUIQJN-MRVPVSSYSA-N 2 1 144.262 0.969 20 0 ACADMP C[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 37911243 343180357 /nfs/dbraw/zinc/18/03/57/343180357.db2.gz QBTHTPXBGUDRRR-NSHDSACASA-N 2 1 197.326 0.376 20 0 ACADMP CC[C@H]1CCC[N@@H+]1CC[NH3+] 37913200 343181174 /nfs/dbraw/zinc/18/11/74/343181174.db2.gz QESORVOQOBIWDC-QMMMGPOBSA-N 2 1 142.246 0.820 20 0 ACADMP CC[C@H]1CCC[N@H+]1CC[NH3+] 37913200 343181176 /nfs/dbraw/zinc/18/11/76/343181176.db2.gz QESORVOQOBIWDC-QMMMGPOBSA-N 2 1 142.246 0.820 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC1CC1 38000543 343183061 /nfs/dbraw/zinc/18/30/61/343183061.db2.gz QSVBCXZNVNVGJJ-ZETCQYMHSA-N 2 1 142.246 0.675 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccccc1 39136167 343204041 /nfs/dbraw/zinc/20/40/41/343204041.db2.gz STVJPRMSEZRNNG-UWVGGRQHSA-N 2 1 162.236 0.701 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccccc1 39136169 343204046 /nfs/dbraw/zinc/20/40/46/343204046.db2.gz STVJPRMSEZRNNG-NXEZZACHSA-N 2 1 162.236 0.701 20 0 ACADMP C[C@H]1CC[N@@H+](CCC[NH3+])C1 40717019 343221620 /nfs/dbraw/zinc/22/16/20/343221620.db2.gz IPHJNMHOLSTWLX-QMMMGPOBSA-N 2 1 142.246 0.677 20 0 ACADMP C[N@H+](CC(C)(C)[NH3+])C1CC1 40925866 343224286 /nfs/dbraw/zinc/22/42/86/343224286.db2.gz XXQIMEYBHUGFHU-UHFFFAOYSA-N 2 1 142.246 0.818 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 41030046 343225588 /nfs/dbraw/zinc/22/55/88/343225588.db2.gz TWFWIPVMCYSDIH-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 41030046 343225590 /nfs/dbraw/zinc/22/55/90/343225590.db2.gz TWFWIPVMCYSDIH-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)[NH2+]CC[NH2+]C1CC1 41043270 343226003 /nfs/dbraw/zinc/22/60/03/343226003.db2.gz ZYSDLUUFEACDMS-UHFFFAOYSA-N 2 1 142.246 0.736 20 0 ACADMP C[N@@H+](C[C@@H]1CCOC1)C1CC[NH2+]CC1 41046046 343226631 /nfs/dbraw/zinc/22/66/31/343226631.db2.gz JPTFWORAIDNOEE-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP C[N@@H+](C[C@H]1CCOC1)C1CC[NH2+]CC1 41046047 343226769 /nfs/dbraw/zinc/22/67/69/343226769.db2.gz JPTFWORAIDNOEE-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP CC[N@H+](CC[NH3+])CCCOC 41055861 343229088 /nfs/dbraw/zinc/22/90/88/343229088.db2.gz REGRULJOWNUZAQ-UHFFFAOYSA-N 2 1 160.261 0.304 20 0 ACADMP CC[N@@H+](CC[NH3+])CCCOC 41055861 343229089 /nfs/dbraw/zinc/22/90/89/343229089.db2.gz REGRULJOWNUZAQ-UHFFFAOYSA-N 2 1 160.261 0.304 20 0 ACADMP C[C@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 41066916 343230492 /nfs/dbraw/zinc/23/04/92/343230492.db2.gz JQHMCFYQGIGAFV-JGVFFNPUSA-N 2 1 142.246 0.675 20 0 ACADMP C[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 42278935 343239481 /nfs/dbraw/zinc/23/94/81/343239481.db2.gz ZDVBGVVCMDGVQJ-NSHDSACASA-N 2 1 197.326 0.233 20 0 ACADMP CC[NH+]1CCC([N@H+](C)CCO)CC1 42681156 343248369 /nfs/dbraw/zinc/24/83/69/343248369.db2.gz JQRWNJFELJFEJS-UHFFFAOYSA-N 2 1 186.299 0.395 20 0 ACADMP CC[NH+]1CCC([N@@H+](C)CCO)CC1 42681156 343248371 /nfs/dbraw/zinc/24/83/71/343248371.db2.gz JQRWNJFELJFEJS-UHFFFAOYSA-N 2 1 186.299 0.395 20 0 ACADMP Cc1[nH+]ccn1CCN1CC[NH2+]CC1 49329231 343275024 /nfs/dbraw/zinc/27/50/24/343275024.db2.gz AZAZEAHPXVKYGH-UHFFFAOYSA-N 2 1 194.282 0.097 20 0 ACADMP CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 51691818 343291604 /nfs/dbraw/zinc/29/16/04/343291604.db2.gz SWQYDYDSCKZTCR-QMMMGPOBSA-N 2 1 196.298 0.214 20 0 ACADMP CNC(=[NH2+])NC[C@H]1CC[N@H+](C(C)C)C1 51691834 343291692 /nfs/dbraw/zinc/29/16/92/343291692.db2.gz OGLQGAAJJYJFOL-SECBINFHSA-N 2 1 198.314 0.460 20 0 ACADMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NC)C1 51691807 343291763 /nfs/dbraw/zinc/29/17/63/343291763.db2.gz OSCLTZODZHNOLB-MRVPVSSYSA-N 2 1 184.287 0.072 20 0 ACADMP CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 51691820 343291834 /nfs/dbraw/zinc/29/18/34/343291834.db2.gz SWQYDYDSCKZTCR-MRVPVSSYSA-N 2 1 196.298 0.214 20 0 ACADMP CC1(C)C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889530 343295505 /nfs/dbraw/zinc/29/55/05/343295505.db2.gz DUXAZVVCRFFEDC-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP CC1(C)C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 51889530 343295507 /nfs/dbraw/zinc/29/55/07/343295507.db2.gz DUXAZVVCRFFEDC-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889540 343295656 /nfs/dbraw/zinc/29/56/56/343295656.db2.gz JXYZCXOSLXIBRR-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP Cc1[nH+]ccn1C[C@@H]1CC[NH2+]C1 51890312 343295696 /nfs/dbraw/zinc/29/56/96/343295696.db2.gz GZENOYGYMYNHQM-SECBINFHSA-N 2 1 165.240 0.801 20 0 ACADMP CC[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+]C1 51889537 343295807 /nfs/dbraw/zinc/29/58/07/343295807.db2.gz JXYZCXOSLXIBRR-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889537 343295809 /nfs/dbraw/zinc/29/58/09/343295809.db2.gz JXYZCXOSLXIBRR-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP CC(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 52042198 343299127 /nfs/dbraw/zinc/29/91/27/343299127.db2.gz PNFRMAOGIHFJLE-VIFPVBQESA-N 2 1 198.314 0.460 20 0 ACADMP CC(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 52042199 343299261 /nfs/dbraw/zinc/29/92/61/343299261.db2.gz PNFRMAOGIHFJLE-SECBINFHSA-N 2 1 198.314 0.460 20 0 ACADMP Cc1cc(N[C@H]2CC[NH2+]C2)nc(C)[nH+]1 52093731 343299822 /nfs/dbraw/zinc/29/98/22/343299822.db2.gz JSWDNUABHSNILK-VIFPVBQESA-N 2 1 192.266 0.867 20 0 ACADMP Cc1cc(N[C@@H]2CC[NH2+]C2)nc(C)[nH+]1 52093730 343299914 /nfs/dbraw/zinc/29/99/14/343299914.db2.gz JSWDNUABHSNILK-SECBINFHSA-N 2 1 192.266 0.867 20 0 ACADMP C[NH2+]CC[NH2+][C@@H](C)C1CC1 53387839 343314445 /nfs/dbraw/zinc/31/44/45/343314445.db2.gz KCOQVBFXLPTHBI-ZETCQYMHSA-N 2 1 142.246 0.594 20 0 ACADMP C[NH2+]CC[NH2+][C@H](C)C1CC1 53387841 343314526 /nfs/dbraw/zinc/31/45/26/343314526.db2.gz KCOQVBFXLPTHBI-SSDOTTSWSA-N 2 1 142.246 0.594 20 0 ACADMP NCC[N@H+]1CCC[C@@H](CC[NH3+])C1 60163032 343351420 /nfs/dbraw/zinc/35/14/20/343351420.db2.gz QBKKHPZZBIPVIV-VIFPVBQESA-N 2 1 171.288 0.006 20 0 ACADMP NCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 60163032 343351418 /nfs/dbraw/zinc/35/14/18/343351418.db2.gz QBKKHPZZBIPVIV-VIFPVBQESA-N 2 1 171.288 0.006 20 0 ACADMP NCC[N@@H+]1CCC[C@H](CC[NH3+])C1 60163029 343351450 /nfs/dbraw/zinc/35/14/50/343351450.db2.gz QBKKHPZZBIPVIV-SECBINFHSA-N 2 1 171.288 0.006 20 0 ACADMP NCC[N@H+]1CCC[C@H](CC[NH3+])C1 60163029 343351452 /nfs/dbraw/zinc/35/14/52/343351452.db2.gz QBKKHPZZBIPVIV-SECBINFHSA-N 2 1 171.288 0.006 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCOC1 61146791 343354912 /nfs/dbraw/zinc/35/49/12/343354912.db2.gz WXGRUSPLFGOHNL-OUAUKWLOSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCOC1 61146793 343355104 /nfs/dbraw/zinc/35/51/04/343355104.db2.gz WXGRUSPLFGOHNL-VWYCJHECSA-N 2 1 198.310 0.835 20 0 ACADMP C[N@H+](CC1CCC1)C[C@H](O)C[NH3+] 61455927 343356872 /nfs/dbraw/zinc/35/68/72/343356872.db2.gz BXOJCCUCPPFORC-SECBINFHSA-N 2 1 172.272 0.038 20 0 ACADMP C[N@H+](CC1CCC1)C[C@@H](O)C[NH3+] 61455929 343356945 /nfs/dbraw/zinc/35/69/45/343356945.db2.gz BXOJCCUCPPFORC-VIFPVBQESA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CCCO1 61934360 343368001 /nfs/dbraw/zinc/36/80/01/343368001.db2.gz CMSWRXUZEBCQIQ-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CCCO1 61934360 343368005 /nfs/dbraw/zinc/36/80/05/343368005.db2.gz CMSWRXUZEBCQIQ-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP COCCC[N@@H+](C)CC(C)(C)C[NH3+] 62035372 343370357 /nfs/dbraw/zinc/37/03/57/343370357.db2.gz YCXMJUGGDKIZIR-UHFFFAOYSA-N 2 1 188.315 0.940 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCO 63195794 343405943 /nfs/dbraw/zinc/40/59/43/343405943.db2.gz UTGCHVIVLBEQDF-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCO 63195794 343405945 /nfs/dbraw/zinc/40/59/45/343405945.db2.gz UTGCHVIVLBEQDF-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCO 63195795 343405967 /nfs/dbraw/zinc/40/59/67/343405967.db2.gz UTGCHVIVLBEQDF-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCO 63195795 343405969 /nfs/dbraw/zinc/40/59/69/343405969.db2.gz UTGCHVIVLBEQDF-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCO 63195797 343406007 /nfs/dbraw/zinc/40/60/07/343406007.db2.gz UTGCHVIVLBEQDF-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCO 63195797 343406009 /nfs/dbraw/zinc/40/60/09/343406009.db2.gz UTGCHVIVLBEQDF-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63196206 343406121 /nfs/dbraw/zinc/40/61/21/343406121.db2.gz OVUDETBHGCFJCG-IVZWLZJFSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCO 63195796 343406208 /nfs/dbraw/zinc/40/62/08/343406208.db2.gz UTGCHVIVLBEQDF-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCO 63195796 343406210 /nfs/dbraw/zinc/40/62/10/343406210.db2.gz UTGCHVIVLBEQDF-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 69606368 343426205 /nfs/dbraw/zinc/42/62/05/343426205.db2.gz WIMPYKLBRLTVOJ-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 69606367 343426232 /nfs/dbraw/zinc/42/62/32/343426232.db2.gz WIMPYKLBRLTVOJ-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CCO1 69894174 343452452 /nfs/dbraw/zinc/45/24/52/343452452.db2.gz SDONUSQRBCJZST-KXUCPTDWSA-N 2 1 184.283 0.587 20 0 ACADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CCO1 69894174 343452454 /nfs/dbraw/zinc/45/24/54/343452454.db2.gz SDONUSQRBCJZST-KXUCPTDWSA-N 2 1 184.283 0.587 20 0 ACADMP [NH3+]C[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 70069913 343473939 /nfs/dbraw/zinc/47/39/39/343473939.db2.gz JQLJRGNBYYRNPN-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 70069912 343473990 /nfs/dbraw/zinc/47/39/90/343473990.db2.gz JQLJRGNBYYRNPN-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 70533199 343489245 /nfs/dbraw/zinc/48/92/45/343489245.db2.gz LOJKGISZGPLSDB-DTWKUNHWSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 70533200 343489254 /nfs/dbraw/zinc/48/92/54/343489254.db2.gz LOJKGISZGPLSDB-RKDXNWHRSA-N 2 1 170.256 0.056 20 0 ACADMP C[C@H]1CCC[N@H+](CCO)[C@@H]1C[NH3+] 70534485 343489579 /nfs/dbraw/zinc/48/95/79/343489579.db2.gz FEZGITWPADQGRO-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H]1CCC[N@@H+](CCO)[C@@H]1C[NH3+] 70534485 343489580 /nfs/dbraw/zinc/48/95/80/343489580.db2.gz FEZGITWPADQGRO-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1CCC[N@H+](CCO)[C@@H]1C[NH3+] 70534484 343489742 /nfs/dbraw/zinc/48/97/42/343489742.db2.gz FEZGITWPADQGRO-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCO)[C@@H]1C[NH3+] 70534484 343489746 /nfs/dbraw/zinc/48/97/46/343489746.db2.gz FEZGITWPADQGRO-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC2)C1 70968764 343545572 /nfs/dbraw/zinc/54/55/72/343545572.db2.gz BCSIRZKXLPPADR-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCOC2)C1 70968768 343545733 /nfs/dbraw/zinc/54/57/33/343545733.db2.gz BCSIRZKXLPPADR-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP CC[N@@H+](CCC[NH3+])CCC(=O)OC 71048373 343549272 /nfs/dbraw/zinc/54/92/72/343549272.db2.gz VGBCYVDVKFMYAM-UHFFFAOYSA-N 2 1 188.271 0.220 20 0 ACADMP COC(=O)CCC[N@@H+](C)CCC[NH3+] 71048573 343549807 /nfs/dbraw/zinc/54/98/07/343549807.db2.gz XVZYDBMYXQWFKQ-UHFFFAOYSA-N 2 1 188.271 0.220 20 0 ACADMP COC(=O)[C@H](C)C[N@@H+](C)CCC[NH3+] 71048880 343549826 /nfs/dbraw/zinc/54/98/26/343549826.db2.gz YDFMXBODTLTAOL-MRVPVSSYSA-N 2 1 188.271 0.076 20 0 ACADMP COC(=O)[C@@H](C)C[N@@H+](C)CCC[NH3+] 71048878 343550012 /nfs/dbraw/zinc/55/00/12/343550012.db2.gz YDFMXBODTLTAOL-QMMMGPOBSA-N 2 1 188.271 0.076 20 0 ACADMP COC[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 81066169 343592963 /nfs/dbraw/zinc/59/29/63/343592963.db2.gz UIWDJBVVZMROSE-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 81066173 343592870 /nfs/dbraw/zinc/59/28/70/343592870.db2.gz UIWDJBVVZMROSE-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP C[N@H+]1CCO[C@H](C2CC[NH2+]CC2)C1 82393032 343600140 /nfs/dbraw/zinc/60/01/40/343600140.db2.gz CMOBWZSGVKNUMD-JTQLQIEISA-N 2 1 184.283 0.317 20 0 ACADMP C[N@H+]1CCO[C@@H](C2CC[NH2+]CC2)C1 82393033 343600328 /nfs/dbraw/zinc/60/03/28/343600328.db2.gz CMOBWZSGVKNUMD-SNVBAGLBSA-N 2 1 184.283 0.317 20 0 ACADMP C[N@H+](CC1CCCC1)C[C@@H](O)C[NH3+] 82492146 343604997 /nfs/dbraw/zinc/60/49/97/343604997.db2.gz XRIKHGHUFDYUNF-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP C[N@H+](CC1CCCC1)C[C@H](O)C[NH3+] 82492144 343605094 /nfs/dbraw/zinc/60/50/94/343605094.db2.gz XRIKHGHUFDYUNF-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP C[NH+]1CCN(c2ccc(C[NH3+])o2)CC1 82637499 343609049 /nfs/dbraw/zinc/60/90/49/343609049.db2.gz TYRDIDCZBFRQNI-UHFFFAOYSA-N 2 1 195.266 0.490 20 0 ACADMP Cc1cn(CC[NH3+])c(C)[nH+]1 82655440 343609184 /nfs/dbraw/zinc/60/91/84/343609184.db2.gz XQZOYVAAFRGOLB-UHFFFAOYSA-N 2 1 139.202 0.459 20 0 ACADMP CC[C@H]1CC[N@@H+](CC[NH3+])C1 82839229 343613230 /nfs/dbraw/zinc/61/32/30/343613230.db2.gz ZTGAOTAVNMGEPA-QMMMGPOBSA-N 2 1 142.246 0.677 20 0 ACADMP CC[C@H]1CC[N@H+](CC[NH3+])C1 82839229 343613227 /nfs/dbraw/zinc/61/32/27/343613227.db2.gz ZTGAOTAVNMGEPA-QMMMGPOBSA-N 2 1 142.246 0.677 20 0 ACADMP CC(C)[C@@H]1CC[N@@H+](CCN)C1 82845728 343613303 /nfs/dbraw/zinc/61/33/03/343613303.db2.gz FDLHDWOXBFKAND-SECBINFHSA-N 2 1 156.273 0.923 20 0 in-vitro ACADMP CC(C)[C@@H]1CC[N@@H+](CC[NH3+])C1 82845728 343613307 /nfs/dbraw/zinc/61/33/07/343613307.db2.gz FDLHDWOXBFKAND-SECBINFHSA-N 2 1 156.273 0.923 20 0 in-vitro ACADMP CC(C)[C@H]1CC[N@@H+](CCN)C1 82845734 343613368 /nfs/dbraw/zinc/61/33/68/343613368.db2.gz FDLHDWOXBFKAND-VIFPVBQESA-N 2 1 156.273 0.923 20 0 in-vitro ACADMP CC(C)[C@H]1CC[N@@H+](CC[NH3+])C1 82845734 343613373 /nfs/dbraw/zinc/61/33/73/343613373.db2.gz FDLHDWOXBFKAND-VIFPVBQESA-N 2 1 156.273 0.923 20 0 in-vitro ACADMP C[C@H](O)CC[NH2+]C1CC[NH+](C)CC1 82993313 343615835 /nfs/dbraw/zinc/61/58/35/343615835.db2.gz FSJXYTNLVFLXRI-VIFPVBQESA-N 2 1 186.299 0.441 20 0 ACADMP CCOCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 83825801 343625104 /nfs/dbraw/zinc/62/51/04/343625104.db2.gz SKVMGEYZSYGKFB-PHIMTYICSA-N 2 1 198.310 0.564 20 0 ACADMP Cc1cn2c([nH+]1)C[C@@H](C[NH3+])CC2 84302908 343633551 /nfs/dbraw/zinc/63/35/51/343633551.db2.gz CKYCSNJVQSRFDD-QMMMGPOBSA-N 2 1 165.240 0.713 20 0 ACADMP Cc1cn2c([nH+]1)C[C@H](C[NH3+])CC2 84302904 343633775 /nfs/dbraw/zinc/63/37/75/343633775.db2.gz CKYCSNJVQSRFDD-MRVPVSSYSA-N 2 1 165.240 0.713 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 84384468 343635739 /nfs/dbraw/zinc/63/57/39/343635739.db2.gz AEPWRUJBMZBOOL-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384779 343635937 /nfs/dbraw/zinc/63/59/37/343635937.db2.gz GXHAWGDLQRGMNB-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCO1 84384473 343636000 /nfs/dbraw/zinc/63/60/00/343636000.db2.gz AEPWRUJBMZBOOL-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282205 343642151 /nfs/dbraw/zinc/64/21/51/343642151.db2.gz MOEGMNCSMRRVNO-LPEHRKFASA-N 2 1 184.283 0.173 20 0 ACADMP C1CC1C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282245 343642159 /nfs/dbraw/zinc/64/21/59/343642159.db2.gz OSOJRBXXAPYBNY-AOOOYVTPSA-N 2 1 166.268 0.548 20 0 ACADMP C1CC(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85283321 343642187 /nfs/dbraw/zinc/64/21/87/343642187.db2.gz HNBRJSUVZCJINQ-PHIMTYICSA-N 2 1 180.295 0.938 20 0 ACADMP C1CC1CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85283501 343642194 /nfs/dbraw/zinc/64/21/94/343642194.db2.gz SVPLBTOVVIPQBL-PHIMTYICSA-N 2 1 180.295 0.938 20 0 ACADMP C[C@@H]1C[N@H+](CCC[NH3+])C[C@@H]1C 86008498 343648596 /nfs/dbraw/zinc/64/85/96/343648596.db2.gz DPMZEXAHUKFJAL-DTORHVGOSA-N 2 1 156.273 0.923 20 0 ACADMP C[C@H]1C[NH+](CC[NH3+])C[C@@H]1C 86008349 343648665 /nfs/dbraw/zinc/64/86/65/343648665.db2.gz KWIXUBQUGJYLIS-YUMQZZPRSA-N 2 1 142.246 0.533 20 0 ACADMP CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 86663397 343653357 /nfs/dbraw/zinc/65/33/57/343653357.db2.gz RIXSVOSFHCHSDA-JGVFFNPUSA-N 2 1 142.246 0.736 20 0 ACADMP CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C1 86663396 343653437 /nfs/dbraw/zinc/65/34/37/343653437.db2.gz RIXSVOSFHCHSDA-HTQZYQBOSA-N 2 1 142.246 0.736 20 0 ACADMP CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 86663398 343653545 /nfs/dbraw/zinc/65/35/45/343653545.db2.gz RIXSVOSFHCHSDA-SFYZADRCSA-N 2 1 142.246 0.736 20 0 ACADMP CC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 86663399 343653677 /nfs/dbraw/zinc/65/36/77/343653677.db2.gz RIXSVOSFHCHSDA-YUMQZZPRSA-N 2 1 142.246 0.736 20 0 ACADMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1 86729605 343653808 /nfs/dbraw/zinc/65/38/08/343653808.db2.gz LQYBCZYFNDSWGC-YUMQZZPRSA-N 2 1 154.257 0.736 20 0 ACADMP CC1(C)C[C@H]1[NH2+][C@H]1CC[NH2+]C1 86729606 343653908 /nfs/dbraw/zinc/65/39/08/343653908.db2.gz LQYBCZYFNDSWGC-JGVFFNPUSA-N 2 1 154.257 0.736 20 0 ACADMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 86729602 343653945 /nfs/dbraw/zinc/65/39/45/343653945.db2.gz LQYBCZYFNDSWGC-SFYZADRCSA-N 2 1 154.257 0.736 20 0 ACADMP CC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 86729101 343653998 /nfs/dbraw/zinc/65/39/98/343653998.db2.gz VZJZPHPEWOGPDZ-QMMMGPOBSA-N 2 1 156.273 0.984 20 0 ACADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCOC1 86701714 343654054 /nfs/dbraw/zinc/65/40/54/343654054.db2.gz SAZODYGLKXVEJX-NSHDSACASA-N 2 1 198.310 0.707 20 0 ACADMP CC1(C)C[C@H]1[NH2+][C@@H]1CC[NH2+]C1 86729604 343654114 /nfs/dbraw/zinc/65/41/14/343654114.db2.gz LQYBCZYFNDSWGC-HTQZYQBOSA-N 2 1 154.257 0.736 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@@H]2CC[NH2+]C2)C1 86729111 343654175 /nfs/dbraw/zinc/65/41/75/343654175.db2.gz FHFLGFMNRGDBSO-GHMZBOCLSA-N 2 1 197.326 0.422 20 0 ACADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCOC1 86701712 343654219 /nfs/dbraw/zinc/65/42/19/343654219.db2.gz SAZODYGLKXVEJX-LLVKDONJSA-N 2 1 198.310 0.707 20 0 ACADMP CC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 86729098 343654236 /nfs/dbraw/zinc/65/42/36/343654236.db2.gz VZJZPHPEWOGPDZ-MRVPVSSYSA-N 2 1 156.273 0.984 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH2+]C2)C1 86729109 343654282 /nfs/dbraw/zinc/65/42/82/343654282.db2.gz FHFLGFMNRGDBSO-MNOVXSKESA-N 2 1 197.326 0.422 20 0 ACADMP C[N@@H+](CC1CCOCC1)C1CC([NH3+])C1 87653563 343662585 /nfs/dbraw/zinc/66/25/85/343662585.db2.gz SESKXABPYVUPTO-UHFFFAOYSA-N 2 1 198.310 0.835 20 0 ACADMP O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 87647757 343662722 /nfs/dbraw/zinc/66/27/22/343662722.db2.gz OKJLWCXRTNHKAL-QWRGUYRKSA-N 2 1 198.310 0.443 20 0 ACADMP OC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 87647793 343662743 /nfs/dbraw/zinc/66/27/43/343662743.db2.gz NPBUKVIUFAMBIU-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 87647758 343662824 /nfs/dbraw/zinc/66/28/24/343662824.db2.gz OKJLWCXRTNHKAL-MNOVXSKESA-N 2 1 198.310 0.443 20 0 ACADMP CCC[N@@H+](C)C1CC([NH3+])C1 87653195 343662874 /nfs/dbraw/zinc/66/28/74/343662874.db2.gz LSUKTLSJXKTPFB-UHFFFAOYSA-N 2 1 142.246 0.818 20 0 ACADMP OC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 87647787 343662983 /nfs/dbraw/zinc/66/29/83/343662983.db2.gz MFYCMPSQAKMWBG-WDEREUQCSA-N 2 1 198.310 0.443 20 0 ACADMP C[NH+](C)CCCNc1cc(N)[nH+]cn1 87808290 343665043 /nfs/dbraw/zinc/66/50/43/343665043.db2.gz KOTWWPSHPFPGOS-UHFFFAOYSA-N 2 1 195.270 0.422 20 0 ACADMP C[NH+](C)CCCNc1cc(N)nc[nH+]1 87808290 343665045 /nfs/dbraw/zinc/66/50/45/343665045.db2.gz KOTWWPSHPFPGOS-UHFFFAOYSA-N 2 1 195.270 0.422 20 0 ACADMP CNc1cc(NCC[NH+](C)C)nc[nH+]1 87807381 343665181 /nfs/dbraw/zinc/66/51/81/343665181.db2.gz UQOKBUADWVREOY-UHFFFAOYSA-N 2 1 195.270 0.492 20 0 ACADMP C[NH+](C)CCNc1cc(N)[nH+]cn1 87807366 343665226 /nfs/dbraw/zinc/66/52/26/343665226.db2.gz GCMYVOFQTBOSER-UHFFFAOYSA-N 2 1 181.243 0.032 20 0 ACADMP FCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88026423 343666598 /nfs/dbraw/zinc/66/65/98/343666598.db2.gz VTAKDFTVQYKNBP-DTORHVGOSA-N 2 1 172.247 0.497 20 0 ACADMP C[N@H+]1CCC[C@H]2C[NH+](CCO)CC[C@@H]21 88091294 343667132 /nfs/dbraw/zinc/66/71/32/343667132.db2.gz FXAIBQFFOASGAE-QWRGUYRKSA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@H]2C[N@H+](CCO)CC[C@@H]21 88091294 343667134 /nfs/dbraw/zinc/66/71/34/343667134.db2.gz FXAIBQFFOASGAE-QWRGUYRKSA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 88091294 343667136 /nfs/dbraw/zinc/66/71/36/343667136.db2.gz FXAIBQFFOASGAE-QWRGUYRKSA-N 2 1 198.310 0.395 20 0 ACADMP C[N@H+]1CCC[C@@H]2C[NH+](CCO)CC[C@@H]21 88091295 343667414 /nfs/dbraw/zinc/66/74/14/343667414.db2.gz FXAIBQFFOASGAE-MNOVXSKESA-N 2 1 198.310 0.395 20 0 ACADMP C[NH+]1CCC[C@@H]2C[N@H+](CCO)CC[C@@H]21 88091295 343667418 /nfs/dbraw/zinc/66/74/18/343667418.db2.gz FXAIBQFFOASGAE-MNOVXSKESA-N 2 1 198.310 0.395 20 0 ACADMP C1CO[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 88287754 343669882 /nfs/dbraw/zinc/66/98/82/343669882.db2.gz MSXNBSNKYIQFPO-OUAUKWLOSA-N 2 1 196.294 0.317 20 0 ACADMP CCOCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88288237 343669939 /nfs/dbraw/zinc/66/99/39/343669939.db2.gz FIXOVRICQUAIFC-AOOOYVTPSA-N 2 1 184.283 0.174 20 0 ACADMP COCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88288076 343670007 /nfs/dbraw/zinc/67/00/07/343670007.db2.gz GITYBLMADXICJH-AOOOYVTPSA-N 2 1 184.283 0.174 20 0 ACADMP CC(C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88287348 343670035 /nfs/dbraw/zinc/67/00/35/343670035.db2.gz HRTNRUHUVWQIOH-DTORHVGOSA-N 2 1 154.257 0.546 20 0 ACADMP CC(C)OCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88287884 343670123 /nfs/dbraw/zinc/67/01/23/343670123.db2.gz WNVZIENKCLVVQP-PHIMTYICSA-N 2 1 198.310 0.563 20 0 ACADMP C1CO[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 88287757 343670129 /nfs/dbraw/zinc/67/01/29/343670129.db2.gz MSXNBSNKYIQFPO-AXFHLTTASA-N 2 1 196.294 0.317 20 0 ACADMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88287972 343670140 /nfs/dbraw/zinc/67/01/40/343670140.db2.gz GHHNEIKPPDKZBD-AOOOYVTPSA-N 2 1 168.284 0.794 20 0 ACADMP C1C[C@@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CO1 88288301 343670334 /nfs/dbraw/zinc/67/03/34/343670334.db2.gz NCYWCYRQEUFRTA-GARJFASQSA-N 2 1 196.294 0.174 20 0 ACADMP C1C[C@H](C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CO1 88288305 343670468 /nfs/dbraw/zinc/67/04/68/343670468.db2.gz NCYWCYRQEUFRTA-MXWKQRLJSA-N 2 1 196.294 0.174 20 0 ACADMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88288317 343670515 /nfs/dbraw/zinc/67/05/15/343670515.db2.gz IYMHQEDXSVWFAF-AOOOYVTPSA-N 2 1 168.284 0.938 20 0 ACADMP C[N@@H+]1CCC[C@H]1c1nnc(CC[NH3+])o1 95828842 343687383 /nfs/dbraw/zinc/68/73/83/343687383.db2.gz PDXFZXXWNHGBKC-ZETCQYMHSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@H+]1CCC[C@H]1c1nnc(CC[NH3+])o1 95828842 343687387 /nfs/dbraw/zinc/68/73/87/343687387.db2.gz PDXFZXXWNHGBKC-ZETCQYMHSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@@H+]1CCC[C@@H](c2nnc(C[NH3+])o2)C1 95828875 343687455 /nfs/dbraw/zinc/68/74/55/343687455.db2.gz KIJOEINXLGTIOC-SSDOTTSWSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@H+]1CCC[C@@H](c2nnc(C[NH3+])o2)C1 95828875 343687457 /nfs/dbraw/zinc/68/74/57/343687457.db2.gz KIJOEINXLGTIOC-SSDOTTSWSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@@H+]1CCC[C@H](c2nnc(C[NH3+])o2)C1 95828874 343687661 /nfs/dbraw/zinc/68/76/61/343687661.db2.gz KIJOEINXLGTIOC-ZETCQYMHSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@H+]1CCC[C@H](c2nnc(C[NH3+])o2)C1 95828874 343687662 /nfs/dbraw/zinc/68/76/62/343687662.db2.gz KIJOEINXLGTIOC-ZETCQYMHSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@@H+]1CCC[C@@H]1c1nnc(CC[NH3+])o1 95828840 343687747 /nfs/dbraw/zinc/68/77/47/343687747.db2.gz PDXFZXXWNHGBKC-SSDOTTSWSA-N 2 1 196.254 0.338 20 0 ACADMP C[N@H+]1CCC[C@@H]1c1nnc(CC[NH3+])o1 95828840 343687748 /nfs/dbraw/zinc/68/77/48/343687748.db2.gz PDXFZXXWNHGBKC-SSDOTTSWSA-N 2 1 196.254 0.338 20 0 ACADMP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 96033547 343693698 /nfs/dbraw/zinc/69/36/98/343693698.db2.gz QCWJBGNWGOXHDB-KOLCDFICSA-N 2 1 198.310 0.848 20 0 ACADMP C1C[C@@H]2C[C@@H]3C[NH2+]C[C@H]3[N@H+]2C1 101264204 343723244 /nfs/dbraw/zinc/72/32/44/343723244.db2.gz SYZQBOYLQBDNLX-IWSPIJDZSA-N 2 1 152.241 0.443 20 0 ACADMP C1C[C@H]2CC[C@@H](C[NH2+]1)[N@H+]2C1CC1 101276891 343723564 /nfs/dbraw/zinc/72/35/64/343723564.db2.gz ZDEFDFFLYKLLSB-ZJUUUORDSA-N 2 1 166.268 0.975 20 0 ACADMP [NH3+]C[C@@H]1CCCc2c[nH+]cn21 107157562 343744895 /nfs/dbraw/zinc/74/48/95/343744895.db2.gz RTFKKFKALBNWJR-ZETCQYMHSA-N 2 1 151.213 0.719 20 0 ACADMP [NH3+]C[C@H]1CCCc2c[nH+]cn21 107157565 343744905 /nfs/dbraw/zinc/74/49/05/343744905.db2.gz RTFKKFKALBNWJR-SSDOTTSWSA-N 2 1 151.213 0.719 20 0 ACADMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 107223791 343747887 /nfs/dbraw/zinc/74/78/87/343747887.db2.gz VFACUJVXVQQVOT-NXEZZACHSA-N 2 1 168.284 0.936 20 0 ACADMP C[C@@H]([NH3+])C[C@@H]1CCC[N@H+]1C 107324465 343748923 /nfs/dbraw/zinc/74/89/23/343748923.db2.gz DBSPABJYYYBRKY-SFYZADRCSA-N 2 1 142.246 0.818 20 0 ACADMP [NH3+]C[C@@H]1CCCc2[nH+]ccn21 107312123 343748978 /nfs/dbraw/zinc/74/89/78/343748978.db2.gz OTTLEYYQAFGTFZ-ZETCQYMHSA-N 2 1 151.213 0.719 20 0 ACADMP [NH3+]C[C@H]1CCCc2[nH+]ccn21 107312119 343749146 /nfs/dbraw/zinc/74/91/46/343749146.db2.gz OTTLEYYQAFGTFZ-SSDOTTSWSA-N 2 1 151.213 0.719 20 0 ACADMP C[C@@H]([NH3+])C[C@H]1CCC[N@H+]1C 107324469 343749206 /nfs/dbraw/zinc/74/92/06/343749206.db2.gz DBSPABJYYYBRKY-HTQZYQBOSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]1C 107324463 343749259 /nfs/dbraw/zinc/74/92/59/343749259.db2.gz DBSPABJYYYBRKY-YUMQZZPRSA-N 2 1 142.246 0.818 20 0 ACADMP Cc1cc(N2CC[NH2+]CC2)c[nH+]c1N 107846412 343750231 /nfs/dbraw/zinc/75/02/31/343750231.db2.gz BNGOSZTURXKBNT-UHFFFAOYSA-N 2 1 192.266 0.382 20 0 ACADMP C[C@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 108343956 343752284 /nfs/dbraw/zinc/75/22/84/343752284.db2.gz PQVZRWPEHFQVRL-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 108343956 343752286 /nfs/dbraw/zinc/75/22/86/343752286.db2.gz PQVZRWPEHFQVRL-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 108344016 343752368 /nfs/dbraw/zinc/75/23/68/343752368.db2.gz GBGNLAUFMCFHNS-QWRGUYRKSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 108344016 343752369 /nfs/dbraw/zinc/75/23/69/343752369.db2.gz GBGNLAUFMCFHNS-QWRGUYRKSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 108344039 343752440 /nfs/dbraw/zinc/75/24/40/343752440.db2.gz JBFNMXGQUACMOT-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 108344039 343752441 /nfs/dbraw/zinc/75/24/41/343752441.db2.gz JBFNMXGQUACMOT-JTQLQIEISA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1 108344105 343752537 /nfs/dbraw/zinc/75/25/37/343752537.db2.gz PEXCGHVWEFTQSR-QWRGUYRKSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 108344105 343752539 /nfs/dbraw/zinc/75/25/39/343752539.db2.gz PEXCGHVWEFTQSR-QWRGUYRKSA-N 2 1 197.326 0.280 20 0 ACADMP OCC[NH+]1CCC([NH2+]CC2CC2)CC1 113163924 343757035 /nfs/dbraw/zinc/75/70/35/343757035.db2.gz HUENCDQYNAZNQG-UHFFFAOYSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccno1 122339498 343779160 /nfs/dbraw/zinc/77/91/60/343779160.db2.gz KKZLXVIUHXQVIW-DTWKUNHWSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccno1 122339498 343779161 /nfs/dbraw/zinc/77/91/61/343779161.db2.gz KKZLXVIUHXQVIW-DTWKUNHWSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@]1([N@@H+]2CCC[NH2+]CC2)CCOC1 123196599 343782335 /nfs/dbraw/zinc/78/23/35/343782335.db2.gz NCILBQHRIYHGTM-SNVBAGLBSA-N 2 1 184.283 0.461 20 0 ACADMP C[C@@]1([N@H+]2CCC[NH2+]CC2)CCOC1 123196599 343782336 /nfs/dbraw/zinc/78/23/36/343782336.db2.gz NCILBQHRIYHGTM-SNVBAGLBSA-N 2 1 184.283 0.461 20 0 ACADMP C[C@]1([N@@H+]2CCC[NH2+]CC2)CCOC1 123196416 343782470 /nfs/dbraw/zinc/78/24/70/343782470.db2.gz NCILBQHRIYHGTM-JTQLQIEISA-N 2 1 184.283 0.461 20 0 ACADMP C[C@]1([N@H+]2CCC[NH2+]CC2)CCOC1 123196416 343782471 /nfs/dbraw/zinc/78/24/71/343782471.db2.gz NCILBQHRIYHGTM-JTQLQIEISA-N 2 1 184.283 0.461 20 0 ACADMP CC1CC([NH2+][C@@H]2CC[NH2+]C2)C1 123347246 343783304 /nfs/dbraw/zinc/78/33/04/343783304.db2.gz KGZSBODIZFNYQL-QJAFJHJLSA-N 2 1 154.257 0.736 20 0 ACADMP C[C@H]([NH3+])C[N@H+](C)C1CCC1 127326019 343809751 /nfs/dbraw/zinc/80/97/51/343809751.db2.gz FSUCZAAGQPQXLV-ZETCQYMHSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)C1CCC1 127326019 343809753 /nfs/dbraw/zinc/80/97/53/343809753.db2.gz FSUCZAAGQPQXLV-ZETCQYMHSA-N 2 1 142.246 0.818 20 0 ACADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCO)C[C@H]12 127674317 343817011 /nfs/dbraw/zinc/81/70/11/343817011.db2.gz STLSXLQQCLEFFL-LPEHRKFASA-N 2 1 184.283 0.038 20 0 ACADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCO)C[C@@H]21 127674103 343817137 /nfs/dbraw/zinc/81/71/37/343817137.db2.gz STLSXLQQCLEFFL-KXUCPTDWSA-N 2 1 184.283 0.038 20 0 ACADMP C[C@@H]1C[C@@](O)(C(C)(C)C[NH3+])C[N@H+]1C 127930535 343821605 /nfs/dbraw/zinc/82/16/05/343821605.db2.gz WEIFSYUWNKNSSS-SCZZXKLOSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[C@@](O)(C(C)(C)C[NH3+])C[N@H+]1C 127930777 343821665 /nfs/dbraw/zinc/82/16/65/343821665.db2.gz WEIFSYUWNKNSSS-WPRPVWTQSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[C@](O)(C(C)(C)C[NH3+])C[N@H+]1C 127930091 343821682 /nfs/dbraw/zinc/82/16/82/343821682.db2.gz WEIFSYUWNKNSSS-PSASIEDQSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](C[NH3+])[C@]1(O)C[C@H](C)[N@@H+](C)C1 127929450 343821718 /nfs/dbraw/zinc/82/17/18/343821718.db2.gz FDIPQHJACBDQDT-AEJSXWLSSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[C@](O)(C(C)(C)C[NH3+])C[N@H+]1C 127930313 343821865 /nfs/dbraw/zinc/82/18/65/343821865.db2.gz WEIFSYUWNKNSSS-WCBMZHEXSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](C[NH3+])[C@@]1(O)C[C@H](C)[N@@H+](C)C1 127929870 343821977 /nfs/dbraw/zinc/82/19/77/343821977.db2.gz FDIPQHJACBDQDT-IVZWLZJFSA-N 2 1 186.299 0.426 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 130763143 343874640 /nfs/dbraw/zinc/87/46/40/343874640.db2.gz LYSDXWPVMHANPO-RKDXNWHRSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 130763143 343874641 /nfs/dbraw/zinc/87/46/41/343874641.db2.gz LYSDXWPVMHANPO-RKDXNWHRSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@H]1CC[N@H+](C[C@H]2CCOC2)C1 130776646 343875128 /nfs/dbraw/zinc/87/51/28/343875128.db2.gz LYSDXWPVMHANPO-BDAKNGLRSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 130776646 343875130 /nfs/dbraw/zinc/87/51/30/343875130.db2.gz LYSDXWPVMHANPO-BDAKNGLRSA-N 2 1 170.256 0.056 20 0 ACADMP C[C@@H](C[NH+](C)C)Nc1cc(N)[nH+]cn1 130767693 343875141 /nfs/dbraw/zinc/87/51/41/343875141.db2.gz XOTFBEYKWIYKDW-ZETCQYMHSA-N 2 1 195.270 0.421 20 0 ACADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(N)n1 130769370 343875161 /nfs/dbraw/zinc/87/51/61/343875161.db2.gz MIGQZDPJUVCXFF-ZETCQYMHSA-N 2 1 195.270 0.421 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 130830470 343875457 /nfs/dbraw/zinc/87/54/57/343875457.db2.gz AKGGHSKYCKFACZ-ZJUUUORDSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 130830470 343875460 /nfs/dbraw/zinc/87/54/60/343875460.db2.gz AKGGHSKYCKFACZ-ZJUUUORDSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+][C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 130830270 343875886 /nfs/dbraw/zinc/87/58/86/343875886.db2.gz AKGGHSKYCKFACZ-NXEZZACHSA-N 2 1 184.283 0.589 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 130830270 343875883 /nfs/dbraw/zinc/87/58/83/343875883.db2.gz AKGGHSKYCKFACZ-NXEZZACHSA-N 2 1 184.283 0.589 20 0 ACADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 133883024 343928649 /nfs/dbraw/zinc/92/86/49/343928649.db2.gz PDSPKHUGJPDDCW-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[N@H+]1CCC[C@@](O)(C(C)(C)C[NH3+])C1 134371102 343941870 /nfs/dbraw/zinc/94/18/70/343941870.db2.gz IXXVXLOYTGOEIU-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H](C[NH3+])[C@@]1(O)CCC[N@@H+](C)C1 134369987 343941978 /nfs/dbraw/zinc/94/19/78/343941978.db2.gz JGGMOTDWKCWWNG-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[N@H+]1CCC[C@](O)(C(C)(C)C[NH3+])C1 134371123 343942098 /nfs/dbraw/zinc/94/20/98/343942098.db2.gz IXXVXLOYTGOEIU-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP CSCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 136058036 343973852 /nfs/dbraw/zinc/97/38/52/343973852.db2.gz PMCVWTACGVSUGM-DTORHVGOSA-N 2 1 186.324 0.501 20 0 ACADMP C[N@H+]1C[C@H]2C[NH+](CC3CC3)C[C@H]2C1 141946925 344009229 /nfs/dbraw/zinc/00/92/29/344009229.db2.gz NPKCMBDDVYYJBS-PHIMTYICSA-N 2 1 180.295 0.890 20 0 ACADMP C[NH+]1C[C@H]2C[N@H+](CC3CC3)C[C@H]2C1 141946925 344009233 /nfs/dbraw/zinc/00/92/33/344009233.db2.gz NPKCMBDDVYYJBS-PHIMTYICSA-N 2 1 180.295 0.890 20 0 ACADMP CC(C)[NH2+]C1CC[NH+](CCO)CC1 144918756 344030357 /nfs/dbraw/zinc/03/03/57/344030357.db2.gz RSVGLBWKFCBLRG-UHFFFAOYSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@H]([NH2+][C@@H]1CCOC[C@H]1[NH3+])C1CC1 147290882 344043565 /nfs/dbraw/zinc/04/35/65/344043565.db2.gz RLLWKYDDGBLGSZ-FXBDTBDDSA-N 2 1 184.283 0.491 20 0 ACADMP C[C@@H](C[NH3+])[C@@]1(O)C[C@@H](C)[N@@H+](C)C1 148224667 344051614 /nfs/dbraw/zinc/05/16/14/344051614.db2.gz VWMSOXUBEYSWQY-DJLDLDEBSA-N 2 1 172.272 0.036 20 0 ACADMP CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 149345800 344064518 /nfs/dbraw/zinc/06/45/18/344064518.db2.gz MCCJQHKDVOVRAT-VIFPVBQESA-N 2 1 156.273 0.890 20 0 ACADMP CC[N@H+]1CC[C@H](C[NH+](C)C)C1 149346005 344064749 /nfs/dbraw/zinc/06/47/49/344064749.db2.gz MCCJQHKDVOVRAT-SECBINFHSA-N 2 1 156.273 0.890 20 0 ACADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[NH2+]CC2)O1 149745446 344070683 /nfs/dbraw/zinc/07/06/83/344070683.db2.gz DAJRWVUOAQXEOC-GHMZBOCLSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[NH2+]CC2)O1 149745446 344070685 /nfs/dbraw/zinc/07/06/85/344070685.db2.gz DAJRWVUOAQXEOC-GHMZBOCLSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@H]1CC[C@@H](C[N@@H+]2CCC[NH2+]CC2)O1 149746054 344070704 /nfs/dbraw/zinc/07/07/04/344070704.db2.gz DAJRWVUOAQXEOC-QWRGUYRKSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@H]1CC[C@@H](C[N@H+]2CCC[NH2+]CC2)O1 149746054 344070705 /nfs/dbraw/zinc/07/07/05/344070705.db2.gz DAJRWVUOAQXEOC-QWRGUYRKSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)O1 149752273 344070746 /nfs/dbraw/zinc/07/07/46/344070746.db2.gz BZCDTXDHGKQJKA-GMTAPVOTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)O1 149752632 344070903 /nfs/dbraw/zinc/07/09/03/344070903.db2.gz BZCDTXDHGKQJKA-MXWKQRLJSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[NH2+]CC2)O1 149745842 344070913 /nfs/dbraw/zinc/07/09/13/344070913.db2.gz DAJRWVUOAQXEOC-MNOVXSKESA-N 2 1 198.310 0.849 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[NH2+]CC2)O1 149745842 344070915 /nfs/dbraw/zinc/07/09/15/344070915.db2.gz DAJRWVUOAQXEOC-MNOVXSKESA-N 2 1 198.310 0.849 20 0 ACADMP C[C@H]1CC[C@H](C[N@@H+]2CCC[NH2+]CC2)O1 149745621 344071013 /nfs/dbraw/zinc/07/10/13/344071013.db2.gz DAJRWVUOAQXEOC-WDEREUQCSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@H]1CC[C@H](C[N@H+]2CCC[NH2+]CC2)O1 149745621 344071015 /nfs/dbraw/zinc/07/10/15/344071015.db2.gz DAJRWVUOAQXEOC-WDEREUQCSA-N 2 1 198.310 0.849 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CCC[NH3+])O1 149794643 344071309 /nfs/dbraw/zinc/07/13/09/344071309.db2.gz LVYVYNHGXATKON-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]1CC[C@@H](C[N@@H+](C)CCC[NH3+])O1 149794882 344071470 /nfs/dbraw/zinc/07/14/70/344071470.db2.gz LVYVYNHGXATKON-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH3+])O1 149790225 344071579 /nfs/dbraw/zinc/07/15/79/344071579.db2.gz KRKDPZLKGNIYTJ-MXWKQRLJSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H]2C[NH3+])O1 149790225 344071583 /nfs/dbraw/zinc/07/15/83/344071583.db2.gz KRKDPZLKGNIYTJ-MXWKQRLJSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2C[NH3+])O1 149789960 344071611 /nfs/dbraw/zinc/07/16/11/344071611.db2.gz KRKDPZLKGNIYTJ-GMTAPVOTSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2C[NH3+])O1 149789960 344071613 /nfs/dbraw/zinc/07/16/13/344071613.db2.gz KRKDPZLKGNIYTJ-GMTAPVOTSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@H]1CC[C@H](C[N@@H+](C)CCC[NH3+])O1 149794447 344071720 /nfs/dbraw/zinc/07/17/20/344071720.db2.gz LVYVYNHGXATKON-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]1CC[C@H](C[N@@H+](C)CCC[NH3+])O1 149794237 344071782 /nfs/dbraw/zinc/07/17/82/344071782.db2.gz LVYVYNHGXATKON-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 155834792 344080531 /nfs/dbraw/zinc/08/05/31/344080531.db2.gz ICZBPWIKCCVJGS-UWVGGRQHSA-N 2 1 184.283 0.195 20 0 ACADMP OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155834670 344080547 /nfs/dbraw/zinc/08/05/47/344080547.db2.gz ICZBPWIKCCVJGS-VHSXEESVSA-N 2 1 184.283 0.195 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCF)C1 157395467 344105618 /nfs/dbraw/zinc/10/56/18/344105618.db2.gz ZUXHIESJOSATTM-SFYZADRCSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C1 156537275 344089936 /nfs/dbraw/zinc/08/99/36/344089936.db2.gz JQHMCFYQGIGAFV-YUMQZZPRSA-N 2 1 142.246 0.675 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C 156536500 344090014 /nfs/dbraw/zinc/09/00/14/344090014.db2.gz KFLUMKISTBYCBH-JGVFFNPUSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C 156536626 344090238 /nfs/dbraw/zinc/09/02/38/344090238.db2.gz KFLUMKISTBYCBH-YUMQZZPRSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 156545549 344090722 /nfs/dbraw/zinc/09/07/22/344090722.db2.gz YESPPRWBLULMKT-YIZRAAEISA-N 2 1 156.273 0.921 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 156600337 344091865 /nfs/dbraw/zinc/09/18/65/344091865.db2.gz MZNKQWXGVSJPJH-IVZWLZJFSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 156600337 344091868 /nfs/dbraw/zinc/09/18/68/344091868.db2.gz MZNKQWXGVSJPJH-IVZWLZJFSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 156600692 344091946 /nfs/dbraw/zinc/09/19/46/344091946.db2.gz MZNKQWXGVSJPJH-GUBZILKMSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 156600692 344091948 /nfs/dbraw/zinc/09/19/48/344091948.db2.gz MZNKQWXGVSJPJH-GUBZILKMSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 156600460 344092015 /nfs/dbraw/zinc/09/20/15/344092015.db2.gz MZNKQWXGVSJPJH-LPEHRKFASA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 156600460 344092017 /nfs/dbraw/zinc/09/20/17/344092017.db2.gz MZNKQWXGVSJPJH-LPEHRKFASA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 156600587 344092175 /nfs/dbraw/zinc/09/21/75/344092175.db2.gz MZNKQWXGVSJPJH-AEJSXWLSSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 156600587 344092174 /nfs/dbraw/zinc/09/21/74/344092174.db2.gz MZNKQWXGVSJPJH-AEJSXWLSSA-N 2 1 186.299 0.440 20 0 ACADMP C[C@@H](C[NH3+])[C@]1(O)CC[N@@H+](C)[C@H](C)C1 157174999 344100981 /nfs/dbraw/zinc/10/09/81/344100981.db2.gz SKWKIBMCQFQCTA-AEJSXWLSSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CCF)C1 157395308 344105473 /nfs/dbraw/zinc/10/54/73/344105473.db2.gz ZUXHIESJOSATTM-YUMQZZPRSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCF)C1 157395308 344105476 /nfs/dbraw/zinc/10/54/76/344105476.db2.gz ZUXHIESJOSATTM-YUMQZZPRSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCF)C1 157395467 344105613 /nfs/dbraw/zinc/10/56/13/344105613.db2.gz ZUXHIESJOSATTM-SFYZADRCSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCF)C1 157395176 344105710 /nfs/dbraw/zinc/10/57/10/344105710.db2.gz ZUXHIESJOSATTM-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCF)C1 157395176 344105714 /nfs/dbraw/zinc/10/57/14/344105714.db2.gz ZUXHIESJOSATTM-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCF)C1 157394988 344105724 /nfs/dbraw/zinc/10/57/24/344105724.db2.gz ZUXHIESJOSATTM-JGVFFNPUSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCF)C1 157394988 344105726 /nfs/dbraw/zinc/10/57/26/344105726.db2.gz ZUXHIESJOSATTM-JGVFFNPUSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)CC[N@H+]1C 157679844 344111617 /nfs/dbraw/zinc/11/16/17/344111617.db2.gz SQHKFRVWXQRKJA-GMTAPVOTSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)CC[N@H+]1C 157679999 344111780 /nfs/dbraw/zinc/11/17/80/344111780.db2.gz SQHKFRVWXQRKJA-HBNTYKKESA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CC[N@H+]1C 157680278 344111964 /nfs/dbraw/zinc/11/19/64/344111964.db2.gz SQHKFRVWXQRKJA-GARJFASQSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CC[N@H+]1C 157680132 344111983 /nfs/dbraw/zinc/11/19/83/344111983.db2.gz SQHKFRVWXQRKJA-OUAUKWLOSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCOC1 158490622 344127602 /nfs/dbraw/zinc/12/76/02/344127602.db2.gz XTBUBSYIAHDFAJ-LPEHRKFASA-N 2 1 184.283 0.363 20 0 ACADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCOC1 158490488 344127792 /nfs/dbraw/zinc/12/77/92/344127792.db2.gz XTBUBSYIAHDFAJ-OPRDCNLKSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCOC1 158490351 344127906 /nfs/dbraw/zinc/12/79/06/344127906.db2.gz XTBUBSYIAHDFAJ-IVZWLZJFSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccno2)C1 159506685 344146360 /nfs/dbraw/zinc/14/63/60/344146360.db2.gz CDNFMKBFHMFNLH-RKDXNWHRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccno2)C1 159506685 344146365 /nfs/dbraw/zinc/14/63/65/344146365.db2.gz CDNFMKBFHMFNLH-RKDXNWHRSA-N 2 1 195.266 0.844 20 0 ACADMP OC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 159489633 344146427 /nfs/dbraw/zinc/14/64/27/344146427.db2.gz PJPNNHVQGJADMF-LLVKDONJSA-N 2 1 198.310 0.300 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(C)(C)O)C1 159503848 344146440 /nfs/dbraw/zinc/14/64/40/344146440.db2.gz OODBXAOCHUFXCW-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(C)(C)O)C1 159503681 344146490 /nfs/dbraw/zinc/14/64/90/344146490.db2.gz OODBXAOCHUFXCW-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(C)(C)O)C1 159503448 344146537 /nfs/dbraw/zinc/14/65/37/344146537.db2.gz OODBXAOCHUFXCW-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccno2)C1 159506539 344146563 /nfs/dbraw/zinc/14/65/63/344146563.db2.gz CDNFMKBFHMFNLH-DTWKUNHWSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccno2)C1 159506539 344146566 /nfs/dbraw/zinc/14/65/66/344146566.db2.gz CDNFMKBFHMFNLH-DTWKUNHWSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(C)(C)O)C1 159503571 344146605 /nfs/dbraw/zinc/14/66/05/344146605.db2.gz OODBXAOCHUFXCW-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP OC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 159489522 344146645 /nfs/dbraw/zinc/14/66/45/344146645.db2.gz PJPNNHVQGJADMF-NSHDSACASA-N 2 1 198.310 0.300 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccno2)C1 159506996 344147000 /nfs/dbraw/zinc/14/70/00/344147000.db2.gz CDNFMKBFHMFNLH-BDAKNGLRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccno2)C1 159506996 344147001 /nfs/dbraw/zinc/14/70/01/344147001.db2.gz CDNFMKBFHMFNLH-BDAKNGLRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccno2)C1 159506827 344147168 /nfs/dbraw/zinc/14/71/68/344147168.db2.gz CDNFMKBFHMFNLH-IUCAKERBSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccno2)C1 159506827 344147171 /nfs/dbraw/zinc/14/71/71/344147171.db2.gz CDNFMKBFHMFNLH-IUCAKERBSA-N 2 1 195.266 0.844 20 0 ACADMP CC[C@@H](C)C[NH2+][C@H](C)C[NH3+] 161992069 344201401 /nfs/dbraw/zinc/20/14/01/344201401.db2.gz FYXFJNLBBGDTJJ-HTQZYQBOSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@H](C)C[NH2+][C@H](C)C[NH3+] 161992180 344201557 /nfs/dbraw/zinc/20/15/57/344201557.db2.gz FYXFJNLBBGDTJJ-JGVFFNPUSA-N 2 1 144.262 0.969 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]CC(C)C 162126414 344203661 /nfs/dbraw/zinc/20/36/61/344203661.db2.gz ZGDHMGKDEVKRFA-MRVPVSSYSA-N 2 1 144.262 0.840 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCN 162902863 344215574 /nfs/dbraw/zinc/21/55/74/344215574.db2.gz XGFGXMKRDFUNQR-BDAKNGLRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@H+](C)CCN 162903110 344215645 /nfs/dbraw/zinc/21/56/45/344215645.db2.gz XGFGXMKRDFUNQR-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCN 162903110 344215649 /nfs/dbraw/zinc/21/56/49/344215649.db2.gz XGFGXMKRDFUNQR-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@H+](C)CC[NH3+] 162903110 344215651 /nfs/dbraw/zinc/21/56/51/344215651.db2.gz XGFGXMKRDFUNQR-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CC[NH3+] 162903110 344215654 /nfs/dbraw/zinc/21/56/54/344215654.db2.gz XGFGXMKRDFUNQR-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)CCN 162903232 344215740 /nfs/dbraw/zinc/21/57/40/344215740.db2.gz XGFGXMKRDFUNQR-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCN 162903232 344215743 /nfs/dbraw/zinc/21/57/43/344215743.db2.gz XGFGXMKRDFUNQR-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+](C)CC[NH3+] 162903232 344215746 /nfs/dbraw/zinc/21/57/46/344215746.db2.gz XGFGXMKRDFUNQR-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC[NH3+] 162903232 344215748 /nfs/dbraw/zinc/21/57/48/344215748.db2.gz XGFGXMKRDFUNQR-DTWKUNHWSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCN 162902991 344215946 /nfs/dbraw/zinc/21/59/46/344215946.db2.gz XGFGXMKRDFUNQR-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@H+](C)CC[NH3+] 162902991 344215948 /nfs/dbraw/zinc/21/59/48/344215948.db2.gz XGFGXMKRDFUNQR-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC[NH3+] 162902991 344215949 /nfs/dbraw/zinc/21/59/49/344215949.db2.gz XGFGXMKRDFUNQR-IUCAKERBSA-N 2 1 172.272 0.302 20 0 ACADMP CO[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 164051068 344235621 /nfs/dbraw/zinc/23/56/21/344235621.db2.gz ZXJUUFGFQKFGSK-LPEHRKFASA-N 2 1 184.283 0.173 20 0 ACADMP CO[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 164051177 344235709 /nfs/dbraw/zinc/23/57/09/344235709.db2.gz ZXJUUFGFQKFGSK-BBBLOLIVSA-N 2 1 184.283 0.173 20 0 ACADMP CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 164666461 344249044 /nfs/dbraw/zinc/24/90/44/344249044.db2.gz JAGRDVPVTXDGFA-DTWKUNHWSA-N 2 1 156.273 0.923 20 0 ACADMP CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 164666579 344249245 /nfs/dbraw/zinc/24/92/45/344249245.db2.gz JAGRDVPVTXDGFA-RKDXNWHRSA-N 2 1 156.273 0.923 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 167061399 344296310 /nfs/dbraw/zinc/29/63/10/344296310.db2.gz TUMWHHXFEMCZGC-CIUDSAMLSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 167061399 344296312 /nfs/dbraw/zinc/29/63/12/344296312.db2.gz TUMWHHXFEMCZGC-CIUDSAMLSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 167061284 344296351 /nfs/dbraw/zinc/29/63/51/344296351.db2.gz TUMWHHXFEMCZGC-VGMNWLOBSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 167061284 344296354 /nfs/dbraw/zinc/29/63/54/344296354.db2.gz TUMWHHXFEMCZGC-VGMNWLOBSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 167061155 344296438 /nfs/dbraw/zinc/29/64/38/344296438.db2.gz TUMWHHXFEMCZGC-YIZRAAEISA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 167061155 344296441 /nfs/dbraw/zinc/29/64/41/344296441.db2.gz TUMWHHXFEMCZGC-YIZRAAEISA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 167061050 344296547 /nfs/dbraw/zinc/29/65/47/344296547.db2.gz TUMWHHXFEMCZGC-HLTSFMKQSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 167061050 344296551 /nfs/dbraw/zinc/29/65/51/344296551.db2.gz TUMWHHXFEMCZGC-HLTSFMKQSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCF 168976512 344341528 /nfs/dbraw/zinc/34/15/28/344341528.db2.gz RATFHOULFTZSNL-YUMQZZPRSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCF 168976512 344341529 /nfs/dbraw/zinc/34/15/29/344341529.db2.gz RATFHOULFTZSNL-YUMQZZPRSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCF 168976339 344341533 /nfs/dbraw/zinc/34/15/33/344341533.db2.gz RATFHOULFTZSNL-JGVFFNPUSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCF 168976339 344341535 /nfs/dbraw/zinc/34/15/35/344341535.db2.gz RATFHOULFTZSNL-JGVFFNPUSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCF 168976422 344341552 /nfs/dbraw/zinc/34/15/52/344341552.db2.gz RATFHOULFTZSNL-SFYZADRCSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCF 168976422 344341554 /nfs/dbraw/zinc/34/15/54/344341554.db2.gz RATFHOULFTZSNL-SFYZADRCSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCF 168976258 344341719 /nfs/dbraw/zinc/34/17/19/344341719.db2.gz RATFHOULFTZSNL-HTQZYQBOSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCF 168976258 344341721 /nfs/dbraw/zinc/34/17/21/344341721.db2.gz RATFHOULFTZSNL-HTQZYQBOSA-N 2 1 160.236 0.768 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccccn1 203983104 344368701 /nfs/dbraw/zinc/36/87/01/344368701.db2.gz ZWQUPFOHGOJKTH-YUMQZZPRSA-N 2 1 163.224 0.096 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccccn1 203983133 344368768 /nfs/dbraw/zinc/36/87/68/344368768.db2.gz ZWQUPFOHGOJKTH-JGVFFNPUSA-N 2 1 163.224 0.096 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccccn1 203983084 344368777 /nfs/dbraw/zinc/36/87/77/344368777.db2.gz ZWQUPFOHGOJKTH-SFYZADRCSA-N 2 1 163.224 0.096 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cccnc1 211394543 344377848 /nfs/dbraw/zinc/37/78/48/344377848.db2.gz WUHKWSLZHWYKDA-DTWKUNHWSA-N 2 1 163.224 0.096 20 0 ACADMP COc1cccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])c1 211477278 344377854 /nfs/dbraw/zinc/37/78/54/344377854.db2.gz NFEGFQMTFOOLOV-QWRGUYRKSA-N 2 1 192.262 0.709 20 0 ACADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1cccnc1 211394623 344377884 /nfs/dbraw/zinc/37/78/84/344377884.db2.gz WUHKWSLZHWYKDA-RKDXNWHRSA-N 2 1 163.224 0.096 20 0 ACADMP COc1ccccc1[C@@H]1C[NH2+]C[C@H]1[NH3+] 211477781 344377910 /nfs/dbraw/zinc/37/79/10/344377910.db2.gz XRRDRENDCQEGFQ-VHSXEESVSA-N 2 1 192.262 0.709 20 0 ACADMP COc1cccc([C@H]2C[NH2+]C[C@@H]2[NH3+])c1 211477346 344377931 /nfs/dbraw/zinc/37/79/31/344377931.db2.gz NFEGFQMTFOOLOV-MNOVXSKESA-N 2 1 192.262 0.709 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1cccnc1 211394475 344377982 /nfs/dbraw/zinc/37/79/82/344377982.db2.gz WUHKWSLZHWYKDA-BDAKNGLRSA-N 2 1 163.224 0.096 20 0 ACADMP COc1ccccc1[C@H]1C[NH2+]C[C@H]1[NH3+] 211477864 344377989 /nfs/dbraw/zinc/37/79/89/344377989.db2.gz XRRDRENDCQEGFQ-NXEZZACHSA-N 2 1 192.262 0.709 20 0 ACADMP COc1cccc([C@@H]2C[NH2+]C[C@H]2[NH3+])c1 211477434 344377994 /nfs/dbraw/zinc/37/79/94/344377994.db2.gz NFEGFQMTFOOLOV-WDEREUQCSA-N 2 1 192.262 0.709 20 0 ACADMP COc1ccccc1[C@H]1C[NH2+]C[C@@H]1[NH3+] 211477695 344378001 /nfs/dbraw/zinc/37/80/01/344378001.db2.gz XRRDRENDCQEGFQ-ZJUUUORDSA-N 2 1 192.262 0.709 20 0 ACADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1cccnc1 211394402 344378010 /nfs/dbraw/zinc/37/80/10/344378010.db2.gz WUHKWSLZHWYKDA-IUCAKERBSA-N 2 1 163.224 0.096 20 0 ACADMP COc1ccccc1[C@@H]1C[NH2+]C[C@@H]1[NH3+] 211477612 344378038 /nfs/dbraw/zinc/37/80/38/344378038.db2.gz XRRDRENDCQEGFQ-UWVGGRQHSA-N 2 1 192.262 0.709 20 0 ACADMP COc1cccc([C@H]2C[NH2+]C[C@H]2[NH3+])c1 211477519 344378068 /nfs/dbraw/zinc/37/80/68/344378068.db2.gz NFEGFQMTFOOLOV-GHMZBOCLSA-N 2 1 192.262 0.709 20 0 ACADMP CO[C@@H]1CCC[N@@H+](CCC[NH3+])C1 211704441 344378650 /nfs/dbraw/zinc/37/86/50/344378650.db2.gz YVHKSCIGUZWYGD-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP C[NH+](C)[C@H]1CCC[N@@H+](CCO)CC1 211705086 344378665 /nfs/dbraw/zinc/37/86/65/344378665.db2.gz CJNKLRFIYNXWAG-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCO)CC1 211705005 344378717 /nfs/dbraw/zinc/37/87/17/344378717.db2.gz CJNKLRFIYNXWAG-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP CO[C@H]1CCC[N@@H+](CCC[NH3+])C1 211704526 344378794 /nfs/dbraw/zinc/37/87/94/344378794.db2.gz YVHKSCIGUZWYGD-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])C1 217532088 344403164 /nfs/dbraw/zinc/40/31/64/344403164.db2.gz TWFWIPVMCYSDIH-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])C1 217532088 344403166 /nfs/dbraw/zinc/40/31/66/344403166.db2.gz TWFWIPVMCYSDIH-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 218587246 344414026 /nfs/dbraw/zinc/41/40/26/344414026.db2.gz WBYDWPLBRRNQHB-QWRGUYRKSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 219249095 344421932 /nfs/dbraw/zinc/42/19/32/344421932.db2.gz UZDSWLHLNKWPOR-AXFHLTTASA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 219249095 344421931 /nfs/dbraw/zinc/42/19/31/344421931.db2.gz UZDSWLHLNKWPOR-AXFHLTTASA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 219249247 344422121 /nfs/dbraw/zinc/42/21/21/344422121.db2.gz UZDSWLHLNKWPOR-DCAQKATOSA-N 2 1 198.310 0.584 20 0 ACADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCCC1 219623570 344426235 /nfs/dbraw/zinc/42/62/35/344426235.db2.gz XWUZJXQPOGMCIS-LLVKDONJSA-N 2 1 197.326 0.422 20 0 ACADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCCC1 219623645 344426410 /nfs/dbraw/zinc/42/64/10/344426410.db2.gz XWUZJXQPOGMCIS-NSHDSACASA-N 2 1 197.326 0.422 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219759198 344427612 /nfs/dbraw/zinc/42/76/12/344427612.db2.gz ZAIRBXMMUUVIQS-LPEHRKFASA-N 2 1 186.299 0.690 20 0 ACADMP C1C[C@H]([NH2+]C2CCSCC2)C[NH2+]1 220685482 344434292 /nfs/dbraw/zinc/43/42/92/344434292.db2.gz RKNLZUHEYLBDAX-VIFPVBQESA-N 2 1 186.324 0.834 20 0 ACADMP C1C[C@@H]([NH2+]C2CCSCC2)C[NH2+]1 220685423 344434499 /nfs/dbraw/zinc/43/44/99/344434499.db2.gz RKNLZUHEYLBDAX-SECBINFHSA-N 2 1 186.324 0.834 20 0 ACADMP C[C@H]1C[N@H+](CCC[NH3+])[C@@H](C)CO1 223174413 344458077 /nfs/dbraw/zinc/45/80/77/344458077.db2.gz LLIDOIWHCJCBFJ-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1C[N@@H+](CCC[NH3+])[C@@H](C)CO1 223174413 344458079 /nfs/dbraw/zinc/45/80/79/344458079.db2.gz LLIDOIWHCJCBFJ-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1CO[C@H](C)C[N@@H+]1CCC[NH3+] 223174349 344458102 /nfs/dbraw/zinc/45/81/02/344458102.db2.gz LLIDOIWHCJCBFJ-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1CO[C@H](C)C[N@H+]1CCC[NH3+] 223174349 344458104 /nfs/dbraw/zinc/45/81/04/344458104.db2.gz LLIDOIWHCJCBFJ-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH3+])C1 223298308 344459317 /nfs/dbraw/zinc/45/93/17/344459317.db2.gz SMTMZMQAJYALFM-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1C[C@@](O)([C@H](C)C[NH3+])C[N@@H+]1C 226166515 344493317 /nfs/dbraw/zinc/49/33/17/344493317.db2.gz VWMSOXUBEYSWQY-HLTSFMKQSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H]1C[C@](O)([C@H](C)C[NH3+])C[N@@H+]1C 226166502 344493337 /nfs/dbraw/zinc/49/33/37/344493337.db2.gz VWMSOXUBEYSWQY-IWSPIJDZSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@H](C[NH3+])[C@]1(O)C[C@@H](C)[N@@H+](C)C1 226166608 344493689 /nfs/dbraw/zinc/49/36/89/344493689.db2.gz FDIPQHJACBDQDT-BBBLOLIVSA-N 2 1 186.299 0.426 20 0 ACADMP C[NH+]1CCC(C)(C[NH2+]C2CNC2)CC1 226345618 344500269 /nfs/dbraw/zinc/50/02/69/344500269.db2.gz MTMIXAKCODQPMX-UHFFFAOYSA-N 2 1 197.326 0.280 20 0 ACADMP CO[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 226436385 344503029 /nfs/dbraw/zinc/50/30/29/344503029.db2.gz XREPGVBFJIKJBW-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP CO[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 226436391 344503437 /nfs/dbraw/zinc/50/34/37/344503437.db2.gz XREPGVBFJIKJBW-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CCO1 226614785 344508773 /nfs/dbraw/zinc/50/87/73/344508773.db2.gz SDONUSQRBCJZST-OPRDCNLKSA-N 2 1 184.283 0.587 20 0 ACADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CCO1 226614785 344508774 /nfs/dbraw/zinc/50/87/74/344508774.db2.gz SDONUSQRBCJZST-OPRDCNLKSA-N 2 1 184.283 0.587 20 0 ACADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 226840731 344515331 /nfs/dbraw/zinc/51/53/31/344515331.db2.gz MFYCMPSQAKMWBG-MNOVXSKESA-N 2 1 198.310 0.443 20 0 ACADMP O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 226840877 344515513 /nfs/dbraw/zinc/51/55/13/344515513.db2.gz OKJLWCXRTNHKAL-GHMZBOCLSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227072052 344521511 /nfs/dbraw/zinc/52/15/11/344521511.db2.gz SSLKGBHWCHZWPF-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227485348 344531670 /nfs/dbraw/zinc/53/16/70/344531670.db2.gz TVIAJSDEBISVMV-AATLWQCWSA-N 2 1 186.299 0.425 20 0 ACADMP [NH3+]CC[C@]1(O)CC[N@H+]2CCCC[C@@H]21 227929170 344550318 /nfs/dbraw/zinc/55/03/18/344550318.db2.gz KHRXQGANVDXUSI-ZJUUUORDSA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+]CC[C@@]1(O)CC[N@H+]2CCCC[C@@H]21 227929163 344550508 /nfs/dbraw/zinc/55/05/08/344550508.db2.gz KHRXQGANVDXUSI-NXEZZACHSA-N 2 1 184.283 0.325 20 0 ACADMP C[C@H](C[NH3+])[C@]1(O)CC[N@H+]2CCC[C@H]21 228037417 344556644 /nfs/dbraw/zinc/55/66/44/344556644.db2.gz JGHNWBYUMVLNSQ-KXUCPTDWSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](C[NH3+])[C@@]1(O)CC[N@H+]2CCC[C@H]21 228037390 344556789 /nfs/dbraw/zinc/55/67/89/344556789.db2.gz JGHNWBYUMVLNSQ-UTLUCORTSA-N 2 1 184.283 0.180 20 0 ACADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCO)C[C@@H]12 228544678 344563579 /nfs/dbraw/zinc/56/35/79/344563579.db2.gz STLSXLQQCLEFFL-IVZWLZJFSA-N 2 1 184.283 0.038 20 0 ACADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCO)C[C@H]21 228544665 344563651 /nfs/dbraw/zinc/56/36/51/344563651.db2.gz STLSXLQQCLEFFL-OPRDCNLKSA-N 2 1 184.283 0.038 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 228723390 344566520 /nfs/dbraw/zinc/56/65/20/344566520.db2.gz TUMWHHXFEMCZGC-XHNCKOQMSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 228723390 344566521 /nfs/dbraw/zinc/56/65/21/344566521.db2.gz TUMWHHXFEMCZGC-XHNCKOQMSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 228723362 344566673 /nfs/dbraw/zinc/56/66/73/344566673.db2.gz TUMWHHXFEMCZGC-IWSPIJDZSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 228723362 344566675 /nfs/dbraw/zinc/56/66/75/344566675.db2.gz TUMWHHXFEMCZGC-IWSPIJDZSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 228723380 344566763 /nfs/dbraw/zinc/56/67/63/344566763.db2.gz TUMWHHXFEMCZGC-HRDYMLBCSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 228723380 344566765 /nfs/dbraw/zinc/56/67/65/344566765.db2.gz TUMWHHXFEMCZGC-HRDYMLBCSA-N 2 1 154.257 0.675 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 228723467 344566835 /nfs/dbraw/zinc/56/68/35/344566835.db2.gz OUHYEPCSTOBZSU-LPEHRKFASA-N 2 1 168.284 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 228723467 344566838 /nfs/dbraw/zinc/56/68/38/344566838.db2.gz OUHYEPCSTOBZSU-LPEHRKFASA-N 2 1 168.284 0.936 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 228723373 344566874 /nfs/dbraw/zinc/56/68/74/344566874.db2.gz TUMWHHXFEMCZGC-DJLDLDEBSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 228723373 344566878 /nfs/dbraw/zinc/56/68/78/344566878.db2.gz TUMWHHXFEMCZGC-DJLDLDEBSA-N 2 1 154.257 0.675 20 0 ACADMP CC[C@](C)(O)C[N@@H+]1CC[C@@H]([NH3+])C1 229410106 344594003 /nfs/dbraw/zinc/59/40/03/344594003.db2.gz AXLBFOQMPIFUNM-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@](C)(O)C[N@H+]1CC[C@@H]([NH3+])C1 229410106 344594005 /nfs/dbraw/zinc/59/40/05/344594005.db2.gz AXLBFOQMPIFUNM-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@@](C)(O)C[N@@H+]1CC[C@H]([NH3+])C1 229416268 344594021 /nfs/dbraw/zinc/59/40/21/344594021.db2.gz AXLBFOQMPIFUNM-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@@](C)(O)C[N@H+]1CC[C@H]([NH3+])C1 229416268 344594023 /nfs/dbraw/zinc/59/40/23/344594023.db2.gz AXLBFOQMPIFUNM-DTWKUNHWSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@](C)(O)C[N@@H+]1CC[C@H]([NH3+])C1 229416280 344594228 /nfs/dbraw/zinc/59/42/28/344594228.db2.gz AXLBFOQMPIFUNM-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@](C)(O)C[N@H+]1CC[C@H]([NH3+])C1 229416280 344594231 /nfs/dbraw/zinc/59/42/31/344594231.db2.gz AXLBFOQMPIFUNM-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@@](C)(O)C[N@@H+]1CC[C@@H]([NH3+])C1 229410099 344594321 /nfs/dbraw/zinc/59/43/21/344594321.db2.gz AXLBFOQMPIFUNM-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP CC[C@@](C)(O)C[N@H+]1CC[C@@H]([NH3+])C1 229410099 344594323 /nfs/dbraw/zinc/59/43/23/344594323.db2.gz AXLBFOQMPIFUNM-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCF 229599611 344607202 /nfs/dbraw/zinc/60/72/02/344607202.db2.gz PJTWJLSZFGUPQX-BDAKNGLRSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCF 229599611 344607204 /nfs/dbraw/zinc/60/72/04/344607204.db2.gz PJTWJLSZFGUPQX-BDAKNGLRSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@]1(O)CC[N@@H+](CCn2ccnc2)C1 230069951 344625275 /nfs/dbraw/zinc/62/52/75/344625275.db2.gz ZOLVHBINCKLKLX-JTQLQIEISA-N 2 1 195.266 0.340 20 0 ACADMP C[C@@]1(O)CC[N@@H+](CCn2ccnc2)C1 230069946 344625425 /nfs/dbraw/zinc/62/54/25/344625425.db2.gz ZOLVHBINCKLKLX-SNVBAGLBSA-N 2 1 195.266 0.340 20 0 ACADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 230507095 344637097 /nfs/dbraw/zinc/63/70/97/344637097.db2.gz SVSFCCCVJXATPE-BBBLOLIVSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 230507180 344637164 /nfs/dbraw/zinc/63/71/64/344637164.db2.gz SVSFCCCVJXATPE-OPRDCNLKSA-N 2 1 184.283 0.363 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 230641678 344638052 /nfs/dbraw/zinc/63/80/52/344638052.db2.gz BTZDQIKWHUCMLA-GHMZBOCLSA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 230641678 344638053 /nfs/dbraw/zinc/63/80/53/344638053.db2.gz BTZDQIKWHUCMLA-GHMZBOCLSA-N 2 1 198.310 0.979 20 0 ACADMP C1C[NH2+]CC[N@@H+](CC[C@H]2CCOC2)C1 232458627 344677681 /nfs/dbraw/zinc/67/76/81/344677681.db2.gz RWFXWMPQCNVAGY-NSHDSACASA-N 2 1 198.310 0.708 20 0 ACADMP C1C[NH2+]CC[N@@H+](CC[C@@H]2CCOC2)C1 232458611 344677819 /nfs/dbraw/zinc/67/78/19/344677819.db2.gz RWFXWMPQCNVAGY-LLVKDONJSA-N 2 1 198.310 0.708 20 0 ACADMP CC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 232827251 344693604 /nfs/dbraw/zinc/69/36/04/344693604.db2.gz DQGRAIXHEWBGAM-MRVPVSSYSA-N 2 1 154.257 0.820 20 0 ACADMP CC1(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 232827251 344693605 /nfs/dbraw/zinc/69/36/05/344693605.db2.gz DQGRAIXHEWBGAM-MRVPVSSYSA-N 2 1 154.257 0.820 20 0 ACADMP CC1(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 232827873 344693711 /nfs/dbraw/zinc/69/37/11/344693711.db2.gz DQGRAIXHEWBGAM-QMMMGPOBSA-N 2 1 154.257 0.820 20 0 ACADMP CC1(C[N@H+]2CC[C@H]([NH3+])C2)CC1 232827873 344693714 /nfs/dbraw/zinc/69/37/14/344693714.db2.gz DQGRAIXHEWBGAM-QMMMGPOBSA-N 2 1 154.257 0.820 20 0 ACADMP CC1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 233023462 344698804 /nfs/dbraw/zinc/69/88/04/344698804.db2.gz GKJHXJWUGSHSLH-MRVPVSSYSA-N 2 1 154.257 0.738 20 0 ACADMP CC1(C[NH2+][C@H]2CC[NH2+]C2)CC1 233030131 344699441 /nfs/dbraw/zinc/69/94/41/344699441.db2.gz GKJHXJWUGSHSLH-QMMMGPOBSA-N 2 1 154.257 0.738 20 0 ACADMP CC[N@H+]1CC[C@](C)(C[NH3+])C1 233495439 344702614 /nfs/dbraw/zinc/70/26/14/344702614.db2.gz WFMGMFXEJNLOLY-MRVPVSSYSA-N 2 1 142.246 0.677 20 0 ACADMP CC[N@H+]1CC[C@@](C)(C[NH3+])C1 233488522 344702621 /nfs/dbraw/zinc/70/26/21/344702621.db2.gz WFMGMFXEJNLOLY-QMMMGPOBSA-N 2 1 142.246 0.677 20 0 ACADMP CO[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 234794502 344728052 /nfs/dbraw/zinc/72/80/52/344728052.db2.gz OFIGOYMGDCYQAA-QMMMGPOBSA-N 2 1 172.272 0.444 20 0 ACADMP CO[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 234794502 344728053 /nfs/dbraw/zinc/72/80/53/344728053.db2.gz OFIGOYMGDCYQAA-QMMMGPOBSA-N 2 1 172.272 0.444 20 0 ACADMP CO[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 234855518 344729633 /nfs/dbraw/zinc/72/96/33/344729633.db2.gz BDKWGEKYWJUJLQ-NSHDSACASA-N 2 1 198.310 0.707 20 0 ACADMP CO[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 234855783 344729708 /nfs/dbraw/zinc/72/97/08/344729708.db2.gz BDKWGEKYWJUJLQ-LLVKDONJSA-N 2 1 198.310 0.707 20 0 ACADMP CO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 234879483 344730139 /nfs/dbraw/zinc/73/01/39/344730139.db2.gz QOWWWWXENCUSOM-ZJUUUORDSA-N 2 1 184.283 0.317 20 0 ACADMP CO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 234879230 344730226 /nfs/dbraw/zinc/73/02/26/344730226.db2.gz FSEGRQOIIOCVOL-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] 235224282 344736151 /nfs/dbraw/zinc/73/61/51/344736151.db2.gz VGQQIKWUQGRSGR-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] 235224282 344736153 /nfs/dbraw/zinc/73/61/53/344736153.db2.gz VGQQIKWUQGRSGR-BDAKNGLRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 235298192 344741836 /nfs/dbraw/zinc/74/18/36/344741836.db2.gz RXZXXFIMLKHRMH-LPEHRKFASA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 235298192 344741838 /nfs/dbraw/zinc/74/18/38/344741838.db2.gz RXZXXFIMLKHRMH-LPEHRKFASA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 235303877 344742181 /nfs/dbraw/zinc/74/21/81/344742181.db2.gz RXZXXFIMLKHRMH-IVZWLZJFSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 235303877 344742182 /nfs/dbraw/zinc/74/21/82/344742182.db2.gz RXZXXFIMLKHRMH-IVZWLZJFSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 235339934 344744402 /nfs/dbraw/zinc/74/44/02/344744402.db2.gz NVFVGGMMEBEUHH-LPEHRKFASA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 235379975 344746724 /nfs/dbraw/zinc/74/67/24/344746724.db2.gz QZQKKROEMRKOHA-OPRDCNLKSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@H+](CCF)C1 235391707 344747527 /nfs/dbraw/zinc/74/75/27/344747527.db2.gz JYPLKEZFEGRTGQ-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@@H+](CCF)C1 235391707 344747529 /nfs/dbraw/zinc/74/75/29/344747529.db2.gz JYPLKEZFEGRTGQ-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCO1 235436000 344749576 /nfs/dbraw/zinc/74/95/76/344749576.db2.gz QZQKKROEMRKOHA-KXUCPTDWSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOC2)C1 235439010 344750113 /nfs/dbraw/zinc/75/01/13/344750113.db2.gz ORSJUBQQUFNFKD-QWRGUYRKSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCOC2)C1 235440664 344750130 /nfs/dbraw/zinc/75/01/30/344750130.db2.gz AEADZYGSRCSULR-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 235488907 344751645 /nfs/dbraw/zinc/75/16/45/344751645.db2.gz OVUDETBHGCFJCG-GUBZILKMSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 235490322 344751659 /nfs/dbraw/zinc/75/16/59/344751659.db2.gz OVUDETBHGCFJCG-LPEHRKFASA-N 2 1 186.299 0.569 20 0 ACADMP C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 235565235 344755299 /nfs/dbraw/zinc/75/52/99/344755299.db2.gz PNZYIMQIIMCWRU-GUBZILKMSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 235565235 344755301 /nfs/dbraw/zinc/75/53/01/344755301.db2.gz PNZYIMQIIMCWRU-GUBZILKMSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] 235564345 344755441 /nfs/dbraw/zinc/75/54/41/344755441.db2.gz VGQQIKWUQGRSGR-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] 235564345 344755443 /nfs/dbraw/zinc/75/54/43/344755443.db2.gz VGQQIKWUQGRSGR-IUCAKERBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 235567151 344755885 /nfs/dbraw/zinc/75/58/85/344755885.db2.gz SSLKGBHWCHZWPF-CIUDSAMLSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 235567133 344756020 /nfs/dbraw/zinc/75/60/20/344756020.db2.gz MAMPVJSKPRKZGQ-CIUDSAMLSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCOC2)C1 235707564 344763948 /nfs/dbraw/zinc/76/39/48/344763948.db2.gz ORSJUBQQUFNFKD-WDEREUQCSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCOC2)C1 235709540 344763978 /nfs/dbraw/zinc/76/39/78/344763978.db2.gz AEADZYGSRCSULR-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@]1(C[NH3+])CC[N@H+](CCF)C1 235746169 344765284 /nfs/dbraw/zinc/76/52/84/344765284.db2.gz JYPLKEZFEGRTGQ-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP C[C@]1(C[NH3+])CC[N@@H+](CCF)C1 235746169 344765286 /nfs/dbraw/zinc/76/52/86/344765286.db2.gz JYPLKEZFEGRTGQ-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 236295752 344779743 /nfs/dbraw/zinc/77/97/43/344779743.db2.gz NYDHYBGWPWBBKX-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 236295752 344779748 /nfs/dbraw/zinc/77/97/48/344779748.db2.gz NYDHYBGWPWBBKX-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 236328247 344782016 /nfs/dbraw/zinc/78/20/16/344782016.db2.gz NYDHYBGWPWBBKX-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 236328247 344782017 /nfs/dbraw/zinc/78/20/17/344782017.db2.gz NYDHYBGWPWBBKX-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@@H]1C[NH2+]CC[C@H]1C(F)(F)F 238642906 344816757 /nfs/dbraw/zinc/81/67/57/344816757.db2.gz RJMOXFHTFYLVDM-RFZPGFLSSA-N 2 1 168.162 0.486 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CCOC1 238554400 344812532 /nfs/dbraw/zinc/81/25/32/344812532.db2.gz DCCJSMGAYJVNOY-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CCOC1 238554400 344812534 /nfs/dbraw/zinc/81/25/34/344812534.db2.gz DCCJSMGAYJVNOY-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+][C@@H]1CC[N@H+](CC2CC=CC2)C1 238571837 344813360 /nfs/dbraw/zinc/81/33/60/344813360.db2.gz HUHZZNVYRCLNMY-SNVBAGLBSA-N 2 1 166.268 0.986 20 0 ACADMP [NH3+]CC[N@H+]1C[C@H]2CC=CC[C@H]2C1 238584716 344814299 /nfs/dbraw/zinc/81/42/99/344814299.db2.gz KFDYHSLMCHWSBF-AOOOYVTPSA-N 2 1 166.268 0.843 20 0 ACADMP [NH3+]C[C@H]1C[N@H+](CC2CC=CC2)CCO1 238573374 344814000 /nfs/dbraw/zinc/81/40/00/344814000.db2.gz AWWSWAUWFHHKCS-NSHDSACASA-N 2 1 196.294 0.612 20 0 ACADMP [NH3+]C[C@H]1C[N@@H+](CC2CC=CC2)CCO1 238573374 344814003 /nfs/dbraw/zinc/81/40/03/344814003.db2.gz AWWSWAUWFHHKCS-NSHDSACASA-N 2 1 196.294 0.612 20 0 ACADMP [NH3+]CC[N@@H+]1C[C@H]2CC=CC[C@H]2C1 238584716 344814297 /nfs/dbraw/zinc/81/42/97/344814297.db2.gz KFDYHSLMCHWSBF-AOOOYVTPSA-N 2 1 166.268 0.843 20 0 ACADMP [NH3+][C@H]1C[NH2+]CC[C@@H]1C(F)(F)F 238633519 344816445 /nfs/dbraw/zinc/81/64/45/344816445.db2.gz RJMOXFHTFYLVDM-WHFBIAKZSA-N 2 1 168.162 0.486 20 0 ACADMP [NH3+][C@H]1C[NH2+]CC[C@H]1C(F)(F)F 238633599 344816541 /nfs/dbraw/zinc/81/65/41/344816541.db2.gz RJMOXFHTFYLVDM-UHNVWZDZSA-N 2 1 168.162 0.486 20 0 ACADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 238713278 344821254 /nfs/dbraw/zinc/82/12/54/344821254.db2.gz MFYCMPSQAKMWBG-QWRGUYRKSA-N 2 1 198.310 0.443 20 0 ACADMP [NH3+]C[C@@H]1C[N@H+](CC2CC=CC2)CCO1 238805097 344822879 /nfs/dbraw/zinc/82/28/79/344822879.db2.gz AWWSWAUWFHHKCS-LLVKDONJSA-N 2 1 196.294 0.612 20 0 ACADMP [NH3+]C[C@@H]1C[N@@H+](CC2CC=CC2)CCO1 238805097 344822881 /nfs/dbraw/zinc/82/28/81/344822881.db2.gz AWWSWAUWFHHKCS-LLVKDONJSA-N 2 1 196.294 0.612 20 0 ACADMP CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 250233635 344831116 /nfs/dbraw/zinc/83/11/16/344831116.db2.gz GLTONSGDKUVRCW-BDAKNGLRSA-N 2 1 154.257 0.548 20 0 ACADMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 250526267 344835886 /nfs/dbraw/zinc/83/58/86/344835886.db2.gz VFACUJVXVQQVOT-ZJUUUORDSA-N 2 1 168.284 0.936 20 0 ACADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCOC2)C1 250556106 344836259 /nfs/dbraw/zinc/83/62/59/344836259.db2.gz BCSIRZKXLPPADR-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC2)C1 250556104 344836446 /nfs/dbraw/zinc/83/64/46/344836446.db2.gz BCSIRZKXLPPADR-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2)C1 250627695 344837477 /nfs/dbraw/zinc/83/74/77/344837477.db2.gz QLYDKZKCIIHXGV-UWVGGRQHSA-N 2 1 183.299 0.032 20 0 ACADMP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2)C1 250627699 344837556 /nfs/dbraw/zinc/83/75/56/344837556.db2.gz QLYDKZKCIIHXGV-VHSXEESVSA-N 2 1 183.299 0.032 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCOC2)C1 250776484 344840803 /nfs/dbraw/zinc/84/08/03/344840803.db2.gz WIMPYKLBRLTVOJ-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 250776481 344840920 /nfs/dbraw/zinc/84/09/20/344840920.db2.gz WIMPYKLBRLTVOJ-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 250839109 344842537 /nfs/dbraw/zinc/84/25/37/344842537.db2.gz LOJKGISZGPLSDB-IUCAKERBSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCOC2)C1 250839104 344842553 /nfs/dbraw/zinc/84/25/53/344842553.db2.gz LOJKGISZGPLSDB-BDAKNGLRSA-N 2 1 170.256 0.056 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCOC2)C1 251099150 344847019 /nfs/dbraw/zinc/84/70/19/344847019.db2.gz JQLJRGNBYYRNPN-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP CC[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 251720704 344868413 /nfs/dbraw/zinc/86/84/13/344868413.db2.gz JXYZCXOSLXIBRR-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 251720704 344868415 /nfs/dbraw/zinc/86/84/15/344868415.db2.gz JXYZCXOSLXIBRR-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@H]1COCC[N@@H+]1C[C@H]1CC[NH2+]C1 251720699 344868866 /nfs/dbraw/zinc/86/88/66/344868866.db2.gz JXYZCXOSLXIBRR-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@H]1COCC[N@H+]1C[C@H]1CC[NH2+]C1 251720699 344868867 /nfs/dbraw/zinc/86/88/67/344868867.db2.gz JXYZCXOSLXIBRR-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251863815 344877004 /nfs/dbraw/zinc/87/70/04/344877004.db2.gz SSLKGBHWCHZWPF-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H]1C[N@H+](CCF)CC[C@H]1[NH3+] 251860724 344877175 /nfs/dbraw/zinc/87/71/75/344877175.db2.gz SKSBUVRHBXGODO-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]1C[N@@H+](CCF)CC[C@H]1[NH3+] 251860724 344877180 /nfs/dbraw/zinc/87/71/80/344877180.db2.gz SKSBUVRHBXGODO-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 251863817 344877257 /nfs/dbraw/zinc/87/72/57/344877257.db2.gz SSLKGBHWCHZWPF-VGMNWLOBSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 251868244 344877676 /nfs/dbraw/zinc/87/76/76/344877676.db2.gz TVIAJSDEBISVMV-KATARQTJSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251868250 344877783 /nfs/dbraw/zinc/87/77/83/344877783.db2.gz TVIAJSDEBISVMV-XKNYDFJKSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251868248 344877952 /nfs/dbraw/zinc/87/79/52/344877952.db2.gz TVIAJSDEBISVMV-XFWSIPNHSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@@H]1C[N@@H+](C)CC[C@@]1(O)CC[NH3+] 251912957 344879839 /nfs/dbraw/zinc/87/98/39/344879839.db2.gz XHVBJBGPLDNFNV-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H]1C[N@@H+](C)CC[C@@]1(O)CC[NH3+] 251912958 344879871 /nfs/dbraw/zinc/87/98/71/344879871.db2.gz XHVBJBGPLDNFNV-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251934445 344881344 /nfs/dbraw/zinc/88/13/44/344881344.db2.gz ZAIRBXMMUUVIQS-KXUCPTDWSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@@H]1CCC[N@H+](CCO)[C@H]1C[NH3+] 252094413 344884499 /nfs/dbraw/zinc/88/44/99/344884499.db2.gz FEZGITWPADQGRO-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCO)[C@H]1C[NH3+] 252094413 344884505 /nfs/dbraw/zinc/88/45/05/344884505.db2.gz FEZGITWPADQGRO-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H]1CCC[N@H+](CCO)[C@H]1C[NH3+] 252094414 344884522 /nfs/dbraw/zinc/88/45/22/344884522.db2.gz FEZGITWPADQGRO-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H]1CCC[N@@H+](CCO)[C@H]1C[NH3+] 252094414 344884524 /nfs/dbraw/zinc/88/45/24/344884524.db2.gz FEZGITWPADQGRO-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1C[C@](O)([C@H](C)C[NH3+])CC[N@H+]1C 252178224 344889927 /nfs/dbraw/zinc/88/99/27/344889927.db2.gz SKWKIBMCQFQCTA-BBBLOLIVSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] 252178665 344890067 /nfs/dbraw/zinc/89/00/67/344890067.db2.gz PNZYIMQIIMCWRU-LPEHRKFASA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] 252178665 344890069 /nfs/dbraw/zinc/89/00/69/344890069.db2.gz PNZYIMQIIMCWRU-LPEHRKFASA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 252178662 344890245 /nfs/dbraw/zinc/89/02/45/344890245.db2.gz PNZYIMQIIMCWRU-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 252178662 344890248 /nfs/dbraw/zinc/89/02/48/344890248.db2.gz PNZYIMQIIMCWRU-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[C@@](O)([C@H](C)C[NH3+])CC[N@H+]1C 252178225 344890351 /nfs/dbraw/zinc/89/03/51/344890351.db2.gz SKWKIBMCQFQCTA-OPRDCNLKSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCOC1 252204382 344891411 /nfs/dbraw/zinc/89/14/11/344891411.db2.gz WXGRUSPLFGOHNL-GMTAPVOTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCOC1 252204383 344891527 /nfs/dbraw/zinc/89/15/27/344891527.db2.gz WXGRUSPLFGOHNL-MXWKQRLJSA-N 2 1 198.310 0.835 20 0 ACADMP CC(C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 252548895 344901046 /nfs/dbraw/zinc/90/10/46/344901046.db2.gz NAZTUTOPBDASTH-QWRGUYRKSA-N 2 1 198.310 0.848 20 0 ACADMP CC(C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 252548895 344901049 /nfs/dbraw/zinc/90/10/49/344901049.db2.gz NAZTUTOPBDASTH-QWRGUYRKSA-N 2 1 198.310 0.848 20 0 ACADMP CC(C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 252548896 344901409 /nfs/dbraw/zinc/90/14/09/344901409.db2.gz NAZTUTOPBDASTH-WDEREUQCSA-N 2 1 198.310 0.848 20 0 ACADMP CC(C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 252548896 344901412 /nfs/dbraw/zinc/90/14/12/344901412.db2.gz NAZTUTOPBDASTH-WDEREUQCSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 252687683 344908147 /nfs/dbraw/zinc/90/81/47/344908147.db2.gz MAMPVJSKPRKZGQ-HRDYMLBCSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCOC2)C1 252781440 344913833 /nfs/dbraw/zinc/91/38/33/344913833.db2.gz MVZDJONQRLHHEO-GUBZILKMSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 252781438 344914183 /nfs/dbraw/zinc/91/41/83/344914183.db2.gz MVZDJONQRLHHEO-AEJSXWLSSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C1 252956945 344922579 /nfs/dbraw/zinc/92/25/79/344922579.db2.gz KDFNUYZNUATKJI-VGMNWLOBSA-N 2 1 154.257 0.594 20 0 ACADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 252956943 344922605 /nfs/dbraw/zinc/92/26/05/344922605.db2.gz KDFNUYZNUATKJI-HLTSFMKQSA-N 2 1 154.257 0.594 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 252962104 344922996 /nfs/dbraw/zinc/92/29/96/344922996.db2.gz OUHYEPCSTOBZSU-IVZWLZJFSA-N 2 1 168.284 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 252962104 344922997 /nfs/dbraw/zinc/92/29/97/344922997.db2.gz OUHYEPCSTOBZSU-IVZWLZJFSA-N 2 1 168.284 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 252962105 344923118 /nfs/dbraw/zinc/92/31/18/344923118.db2.gz OUHYEPCSTOBZSU-KXUCPTDWSA-N 2 1 168.284 0.936 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 252962105 344923121 /nfs/dbraw/zinc/92/31/21/344923121.db2.gz OUHYEPCSTOBZSU-KXUCPTDWSA-N 2 1 168.284 0.936 20 0 ACADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCF 253289983 344932514 /nfs/dbraw/zinc/93/25/14/344932514.db2.gz PJTWJLSZFGUPQX-DTWKUNHWSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCF 253289983 344932516 /nfs/dbraw/zinc/93/25/16/344932516.db2.gz PJTWJLSZFGUPQX-DTWKUNHWSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCF 253289984 344932732 /nfs/dbraw/zinc/93/27/32/344932732.db2.gz PJTWJLSZFGUPQX-RKDXNWHRSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCF 253289984 344932733 /nfs/dbraw/zinc/93/27/33/344932733.db2.gz PJTWJLSZFGUPQX-RKDXNWHRSA-N 2 1 174.263 0.886 20 0 ACADMP C[C@H]([NH3+])CC[NH2+]C1CCN(C)CC1 258671772 344945287 /nfs/dbraw/zinc/94/52/87/344945287.db2.gz CVARJEONHAXEGU-VIFPVBQESA-N 2 1 185.315 0.408 20 0 ACADMP C[C@H]([NH3+])C1CC[NH+](CCN)CC1 259521658 344949214 /nfs/dbraw/zinc/94/92/14/344949214.db2.gz VURLKMWLKXLITG-QMMMGPOBSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H]([NH3+])C1CC[NH+](CCN)CC1 259521657 344949318 /nfs/dbraw/zinc/94/93/18/344949318.db2.gz VURLKMWLKXLITG-MRVPVSSYSA-N 2 1 171.288 0.004 20 0 ACADMP CO[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 299891629 344957441 /nfs/dbraw/zinc/95/74/41/344957441.db2.gz XREPGVBFJIKJBW-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP CO[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 299891630 344957793 /nfs/dbraw/zinc/95/77/93/344957793.db2.gz XREPGVBFJIKJBW-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP CO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 300042606 344965086 /nfs/dbraw/zinc/96/50/86/344965086.db2.gz QOWWWWXENCUSOM-UWVGGRQHSA-N 2 1 184.283 0.317 20 0 ACADMP CO[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 300042607 344965291 /nfs/dbraw/zinc/96/52/91/344965291.db2.gz QOWWWWXENCUSOM-VHSXEESVSA-N 2 1 184.283 0.317 20 0 ACADMP CO[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 300042605 344965575 /nfs/dbraw/zinc/96/55/75/344965575.db2.gz QOWWWWXENCUSOM-NXEZZACHSA-N 2 1 184.283 0.317 20 0 ACADMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1[NH3+] 300048076 344966364 /nfs/dbraw/zinc/96/63/64/344966364.db2.gz HAAYZIKMEANKIR-MWLCHTKSSA-N 2 1 198.310 0.692 20 0 ACADMP CO[C@H](C)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049490 344966657 /nfs/dbraw/zinc/96/66/57/344966657.db2.gz SFBGVXKHKXWBKQ-IWSPIJDZSA-N 2 1 172.272 0.300 20 0 ACADMP CO[C@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049490 344966658 /nfs/dbraw/zinc/96/66/58/344966658.db2.gz SFBGVXKHKXWBKQ-IWSPIJDZSA-N 2 1 172.272 0.300 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048541 344966712 /nfs/dbraw/zinc/96/67/12/344966712.db2.gz LBKJADFPEFBQNG-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048541 344966713 /nfs/dbraw/zinc/96/67/13/344966713.db2.gz LBKJADFPEFBQNG-HRDYMLBCSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1[NH3+] 300049023 344966745 /nfs/dbraw/zinc/96/67/45/344966745.db2.gz OQJJQROPPUFXRH-KXUCPTDWSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1[NH3+] 300049024 344966798 /nfs/dbraw/zinc/96/67/98/344966798.db2.gz OQJJQROPPUFXRH-OPRDCNLKSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[N@H+](CCC(C)(C)O)C[C@H]1[NH3+] 300050028 344968100 /nfs/dbraw/zinc/96/81/00/344968100.db2.gz WPCMMNKIFNAMMR-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CCC(C)(C)O)C[C@H]1[NH3+] 300050028 344968104 /nfs/dbraw/zinc/96/81/04/344968104.db2.gz WPCMMNKIFNAMMR-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP CCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050405 344968238 /nfs/dbraw/zinc/96/82/38/344968238.db2.gz ZOTCWEZIVWSZKT-HTQZYQBOSA-N 2 1 142.246 0.675 20 0 ACADMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 300062664 344969763 /nfs/dbraw/zinc/96/97/63/344969763.db2.gz NVFVGGMMEBEUHH-IVZWLZJFSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 300062663 344969906 /nfs/dbraw/zinc/96/99/06/344969906.db2.gz NVFVGGMMEBEUHH-AEJSXWLSSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CCOC2)C1 300351429 344974655 /nfs/dbraw/zinc/97/46/55/344974655.db2.gz AEADZYGSRCSULR-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCOC2)C1 300351428 344974865 /nfs/dbraw/zinc/97/48/65/344974865.db2.gz AEADZYGSRCSULR-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCOC2)C1 300352714 344975824 /nfs/dbraw/zinc/97/58/24/344975824.db2.gz ORSJUBQQUFNFKD-GHMZBOCLSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 300369273 344977756 /nfs/dbraw/zinc/97/77/56/344977756.db2.gz CGXYJZMZLNBVIA-DCAQKATOSA-N 2 1 198.310 0.835 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 300368962 344977858 /nfs/dbraw/zinc/97/78/58/344977858.db2.gz BZJMADXHGPVZRU-HBNTYKKESA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 300368962 344977860 /nfs/dbraw/zinc/97/78/60/344977860.db2.gz BZJMADXHGPVZRU-HBNTYKKESA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 300368957 344978005 /nfs/dbraw/zinc/97/80/05/344978005.db2.gz BZJMADXHGPVZRU-GARJFASQSA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 300368957 344978007 /nfs/dbraw/zinc/97/80/07/344978007.db2.gz BZJMADXHGPVZRU-GARJFASQSA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 300368960 344978067 /nfs/dbraw/zinc/97/80/67/344978067.db2.gz BZJMADXHGPVZRU-GMTAPVOTSA-N 2 1 198.310 0.705 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 300368960 344978069 /nfs/dbraw/zinc/97/80/69/344978069.db2.gz BZJMADXHGPVZRU-GMTAPVOTSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([NH3+])C1 300369271 344978073 /nfs/dbraw/zinc/97/80/73/344978073.db2.gz CGXYJZMZLNBVIA-AXFHLTTASA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](C[NH3+])C1 300380454 344979528 /nfs/dbraw/zinc/97/95/28/344979528.db2.gz MOZHYEJCOLUAGY-HBNTYKKESA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 300380453 344979770 /nfs/dbraw/zinc/97/97/70/344979770.db2.gz MOZHYEJCOLUAGY-AXFHLTTASA-N 2 1 198.310 0.692 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 300385621 344980755 /nfs/dbraw/zinc/98/07/55/344980755.db2.gz QZQKKROEMRKOHA-BBBLOLIVSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 300387048 344980791 /nfs/dbraw/zinc/98/07/91/344980791.db2.gz RXZXXFIMLKHRMH-AEJSXWLSSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 300387048 344980794 /nfs/dbraw/zinc/98/07/94/344980794.db2.gz RXZXXFIMLKHRMH-AEJSXWLSSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 300387049 344980891 /nfs/dbraw/zinc/98/08/91/344980891.db2.gz RXZXXFIMLKHRMH-GUBZILKMSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 300387049 344980893 /nfs/dbraw/zinc/98/08/93/344980893.db2.gz RXZXXFIMLKHRMH-GUBZILKMSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 301034807 345030343 /nfs/dbraw/zinc/03/03/43/345030343.db2.gz SVSFCCCVJXATPE-UTLUCORTSA-N 2 1 184.283 0.363 20 0 ACADMP C[N@@H+](CCCF)CCOCC[NH3+] 301047984 345033976 /nfs/dbraw/zinc/03/39/76/345033976.db2.gz QBNHFSZFYCUKII-UHFFFAOYSA-N 2 1 178.251 0.253 20 0 ACADMP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1O 306174531 345065351 /nfs/dbraw/zinc/06/53/51/345065351.db2.gz BTGHRNUPIIYTMP-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1O 306174531 345065353 /nfs/dbraw/zinc/06/53/53/345065353.db2.gz BTGHRNUPIIYTMP-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1O 306174534 345065530 /nfs/dbraw/zinc/06/55/30/345065530.db2.gz BTGHRNUPIIYTMP-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1O 306174534 345065535 /nfs/dbraw/zinc/06/55/35/345065535.db2.gz BTGHRNUPIIYTMP-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C1CC1[NH2+][C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 306193339 345083538 /nfs/dbraw/zinc/08/35/38/345083538.db2.gz SRHKWUITUXXFPJ-DLGSQSEFSA-N 2 1 178.279 0.735 20 0 ACADMP C1CC1[NH2+][C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 306193341 345083549 /nfs/dbraw/zinc/08/35/49/345083549.db2.gz SRHKWUITUXXFPJ-PBYRXYTMSA-N 2 1 178.279 0.735 20 0 ACADMP CC[N@H+]1CC[C@@](O)(C(C)(C)C[NH3+])C1 306214639 345105675 /nfs/dbraw/zinc/10/56/75/345105675.db2.gz NGXFEBFGVPSSBT-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP CC[N@H+]1CC[C@](O)(C(C)(C)C[NH3+])C1 306214640 345105960 /nfs/dbraw/zinc/10/59/60/345105960.db2.gz NGXFEBFGVPSSBT-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)[NH2+][C@@H]1C[NH2+]C[C@H]1C 306217890 345109502 /nfs/dbraw/zinc/10/95/02/345109502.db2.gz DOGKLQOTUYNXMD-HTQZYQBOSA-N 2 1 142.246 0.592 20 0 ACADMP COC1(C[N@H+]2CC[C@@H](N)C2)CCCC1 306220818 345113763 /nfs/dbraw/zinc/11/37/63/345113763.db2.gz OTECUTRSMIFDIO-SNVBAGLBSA-N 2 1 198.310 0.979 20 0 ACADMP COC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCCC1 306220818 345113765 /nfs/dbraw/zinc/11/37/65/345113765.db2.gz OTECUTRSMIFDIO-SNVBAGLBSA-N 2 1 198.310 0.979 20 0 ACADMP COC1(C[N@H+]2CC[C@@H]([NH3+])C2)CCCC1 306220818 345113766 /nfs/dbraw/zinc/11/37/66/345113766.db2.gz OTECUTRSMIFDIO-SNVBAGLBSA-N 2 1 198.310 0.979 20 0 ACADMP COC1(C[N@H+]2CC[C@H](N)C2)CCCC1 306220817 345113808 /nfs/dbraw/zinc/11/38/08/345113808.db2.gz OTECUTRSMIFDIO-JTQLQIEISA-N 2 1 198.310 0.979 20 0 ACADMP COC1(C[N@@H+]2CC[C@H]([NH3+])C2)CCCC1 306220817 345113809 /nfs/dbraw/zinc/11/38/09/345113809.db2.gz OTECUTRSMIFDIO-JTQLQIEISA-N 2 1 198.310 0.979 20 0 ACADMP COC1(C[N@H+]2CC[C@H]([NH3+])C2)CCCC1 306220817 345113811 /nfs/dbraw/zinc/11/38/11/345113811.db2.gz OTECUTRSMIFDIO-JTQLQIEISA-N 2 1 198.310 0.979 20 0 ACADMP C[C@]1(C[N@H+]2CC[C@@H](O)C2)CC[NH2+]C1 306231881 345125376 /nfs/dbraw/zinc/12/53/76/345125376.db2.gz IFCOGDANUVEAQQ-ZJUUUORDSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@H]1C[C@H](O)C[N@H+]1CCn1ccnc1 306257500 345148099 /nfs/dbraw/zinc/14/80/99/345148099.db2.gz YTVAKTGEWIXHLJ-UWVGGRQHSA-N 2 1 195.266 0.338 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@H+]1CCn1ccnc1 306257501 345148238 /nfs/dbraw/zinc/14/82/38/345148238.db2.gz YTVAKTGEWIXHLJ-VHSXEESVSA-N 2 1 195.266 0.338 20 0 ACADMP CC1(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CC1 306261355 345151838 /nfs/dbraw/zinc/15/18/38/345151838.db2.gz VYPUMABAJPNJPI-AOOOYVTPSA-N 2 1 180.295 0.938 20 0 ACADMP C1C[C@H]2C[N@H+](CC3CC3)C[C@H]2C[NH2+]1 306263351 345153676 /nfs/dbraw/zinc/15/36/76/345153676.db2.gz CMGGQQIINKTKCZ-WDEREUQCSA-N 2 1 180.295 0.938 20 0 ACADMP C1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C[NH2+]1 306263349 345153844 /nfs/dbraw/zinc/15/38/44/345153844.db2.gz CMGGQQIINKTKCZ-MNOVXSKESA-N 2 1 180.295 0.938 20 0 ACADMP C[C@@H](N)c1nc(C2(N)CCC2)no1 306268257 345157333 /nfs/dbraw/zinc/15/73/33/345157333.db2.gz JGXJNLCLHRCEHT-RXMQYKEDSA-N 2 1 182.227 0.427 20 0 ACADMP CC1CC([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 306306486 345186083 /nfs/dbraw/zinc/18/60/83/345186083.db2.gz JEGHSYRKLQITHC-VQXHTEKXSA-N 2 1 198.310 0.441 20 0 ACADMP CCC[N@@H+]1CCCO[C@H](C[NH3+])C1 306306810 345186537 /nfs/dbraw/zinc/18/65/37/345186537.db2.gz QHQOSMNDNQWAEW-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP CCC[N@H+]1CCCO[C@H](C[NH3+])C1 306306810 345186540 /nfs/dbraw/zinc/18/65/40/345186540.db2.gz QHQOSMNDNQWAEW-SECBINFHSA-N 2 1 172.272 0.446 20 0 ACADMP CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 306306812 345186709 /nfs/dbraw/zinc/18/67/09/345186709.db2.gz QHQOSMNDNQWAEW-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 306306812 345186710 /nfs/dbraw/zinc/18/67/10/345186710.db2.gz QHQOSMNDNQWAEW-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP FCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306356570 345228189 /nfs/dbraw/zinc/22/81/89/345228189.db2.gz XZROPXUGTOJNDU-DTWKUNHWSA-N 2 1 172.247 0.497 20 0 ACADMP FCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306356570 345228191 /nfs/dbraw/zinc/22/81/91/345228191.db2.gz XZROPXUGTOJNDU-DTWKUNHWSA-N 2 1 172.247 0.497 20 0 ACADMP C[N@H+]1CC[C@]2(CC[NH+](CCCO)C2)C1 306362917 345233005 /nfs/dbraw/zinc/23/30/05/345233005.db2.gz VORHBRWXHRUDRG-NSHDSACASA-N 2 1 198.310 0.396 20 0 ACADMP C[NH+]1CC[C@]2(CC[N@H+](CCCO)C2)C1 306362917 345233007 /nfs/dbraw/zinc/23/30/07/345233007.db2.gz VORHBRWXHRUDRG-NSHDSACASA-N 2 1 198.310 0.396 20 0 ACADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCO)C2)C1 306362917 345233010 /nfs/dbraw/zinc/23/30/10/345233010.db2.gz VORHBRWXHRUDRG-NSHDSACASA-N 2 1 198.310 0.396 20 0 ACADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCO)C2)C1 306362916 345233108 /nfs/dbraw/zinc/23/31/08/345233108.db2.gz VORHBRWXHRUDRG-LLVKDONJSA-N 2 1 198.310 0.396 20 0 ACADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCO)C2)C1 306362916 345233112 /nfs/dbraw/zinc/23/31/12/345233112.db2.gz VORHBRWXHRUDRG-LLVKDONJSA-N 2 1 198.310 0.396 20 0 ACADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 306362916 345233113 /nfs/dbraw/zinc/23/31/13/345233113.db2.gz VORHBRWXHRUDRG-LLVKDONJSA-N 2 1 198.310 0.396 20 0 ACADMP C[C@H]([NH3+])C[NH+]1CCC(C[NH3+])CC1 306366990 345236236 /nfs/dbraw/zinc/23/62/36/345236236.db2.gz BJDKNHRPZKNIRJ-QMMMGPOBSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@H](N)C[NH+]1CCC(C[NH3+])CC1 306366990 345236238 /nfs/dbraw/zinc/23/62/38/345236238.db2.gz BJDKNHRPZKNIRJ-QMMMGPOBSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@]1(C[N@H+]2CC[C@H](O)C2)CC[NH2+]C1 306367157 345236846 /nfs/dbraw/zinc/23/68/46/345236846.db2.gz IFCOGDANUVEAQQ-UWVGGRQHSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@H]1[C@H](CO)CC[N@H+]1CC(C)(C)[NH3+] 306421303 345278181 /nfs/dbraw/zinc/27/81/81/345278181.db2.gz YYNKFEUAAPKPAF-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1[C@@H](CO)CC[N@H+]1CC(C)(C)[NH3+] 306421302 345278442 /nfs/dbraw/zinc/27/84/42/345278442.db2.gz YYNKFEUAAPKPAF-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP FCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306422685 345279525 /nfs/dbraw/zinc/27/95/25/345279525.db2.gz ATNKBLMHKZFIKB-IUCAKERBSA-N 2 1 172.247 0.640 20 0 ACADMP FCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306422685 345279527 /nfs/dbraw/zinc/27/95/27/345279527.db2.gz ATNKBLMHKZFIKB-IUCAKERBSA-N 2 1 172.247 0.640 20 0 ACADMP FCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306422682 345279708 /nfs/dbraw/zinc/27/97/08/345279708.db2.gz ATNKBLMHKZFIKB-BDAKNGLRSA-N 2 1 172.247 0.640 20 0 ACADMP FCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306422686 345279912 /nfs/dbraw/zinc/27/99/12/345279912.db2.gz ATNKBLMHKZFIKB-RKDXNWHRSA-N 2 1 172.247 0.640 20 0 ACADMP FCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306422686 345279915 /nfs/dbraw/zinc/27/99/15/345279915.db2.gz ATNKBLMHKZFIKB-RKDXNWHRSA-N 2 1 172.247 0.640 20 0 ACADMP FCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306422683 345280121 /nfs/dbraw/zinc/28/01/21/345280121.db2.gz ATNKBLMHKZFIKB-DTWKUNHWSA-N 2 1 172.247 0.640 20 0 ACADMP FCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306422683 345280122 /nfs/dbraw/zinc/28/01/22/345280122.db2.gz ATNKBLMHKZFIKB-DTWKUNHWSA-N 2 1 172.247 0.640 20 0 ACADMP C[C@H]([NH3+])CN1C[C@H]2CC[N@@H+](C)C[C@H]2C1 306441453 345302015 /nfs/dbraw/zinc/30/20/15/345302015.db2.gz SREBOIMVEDUKGB-AXFHLTTASA-N 3 1 197.326 0.217 20 0 ACADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCOC2)CC1 306443371 345303774 /nfs/dbraw/zinc/30/37/74/345303774.db2.gz MKVHCWPMGUZIDN-NSHDSACASA-N 2 1 196.294 0.627 20 0 ACADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCOC2)CC1 306443370 345303824 /nfs/dbraw/zinc/30/38/24/345303824.db2.gz MKVHCWPMGUZIDN-LLVKDONJSA-N 2 1 196.294 0.627 20 0 ACADMP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1O 306463769 345324026 /nfs/dbraw/zinc/32/40/26/345324026.db2.gz ISIKTDVAYSXDQC-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1O 306463767 345324171 /nfs/dbraw/zinc/32/41/71/345324171.db2.gz ISIKTDVAYSXDQC-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306476109 345341481 /nfs/dbraw/zinc/34/14/81/345341481.db2.gz XQIOOHKUYXDECK-AEJSXWLSSA-N 2 1 184.283 0.051 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306476111 345341493 /nfs/dbraw/zinc/34/14/93/345341493.db2.gz XQIOOHKUYXDECK-IVZWLZJFSA-N 2 1 184.283 0.051 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306476112 345341662 /nfs/dbraw/zinc/34/16/62/345341662.db2.gz XQIOOHKUYXDECK-LPEHRKFASA-N 2 1 184.283 0.051 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306476110 345341683 /nfs/dbraw/zinc/34/16/83/345341683.db2.gz XQIOOHKUYXDECK-GUBZILKMSA-N 2 1 184.283 0.051 20 0 ACADMP OCC[N@H+]1CCC2(CC[NH2+]CC2)C1 306489151 345360255 /nfs/dbraw/zinc/36/02/55/345360255.db2.gz KYGPRPHSOAQZCK-UHFFFAOYSA-N 2 1 184.283 0.054 20 0 ACADMP C[C@]1(C[N@H+]2CC[C@@H](CO)C2)CC[NH2+]C1 306510394 345382032 /nfs/dbraw/zinc/38/20/32/345382032.db2.gz KYVAIGYUUUYQKE-MNOVXSKESA-N 2 1 198.310 0.300 20 0 ACADMP C[C@]1(C[N@H+]2CC[C@H](CO)C2)CC[NH2+]C1 306510395 345382331 /nfs/dbraw/zinc/38/23/31/345382331.db2.gz KYVAIGYUUUYQKE-QWRGUYRKSA-N 2 1 198.310 0.300 20 0 ACADMP C[C@H]1CC[N@@H+](C)CCN1CC(C)(C)[NH3+] 306511018 345382994 /nfs/dbraw/zinc/38/29/94/345382994.db2.gz MCXZVPJFALYNBC-JTQLQIEISA-N 2 1 199.342 0.750 20 0 ACADMP NCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 306518061 345389380 /nfs/dbraw/zinc/38/93/80/345389380.db2.gz BLYGPHHCOHFHTH-UHFFFAOYSA-N 3 1 197.326 0.411 20 0 ACADMP NCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 306518061 345389384 /nfs/dbraw/zinc/38/93/84/345389384.db2.gz BLYGPHHCOHFHTH-UHFFFAOYSA-N 3 1 197.326 0.411 20 0 ACADMP [NH3+]CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 306518061 345389386 /nfs/dbraw/zinc/38/93/86/345389386.db2.gz BLYGPHHCOHFHTH-UHFFFAOYSA-N 3 1 197.326 0.411 20 0 ACADMP [NH3+]CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 306518061 345389389 /nfs/dbraw/zinc/38/93/89/345389389.db2.gz BLYGPHHCOHFHTH-UHFFFAOYSA-N 3 1 197.326 0.411 20 0 ACADMP C[C@H]1OCC[N@H+](CCC[NH3+])[C@@H]1C 306533356 345405759 /nfs/dbraw/zinc/40/57/59/345405759.db2.gz CVGVOAXAUULHIC-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1OCC[N@@H+](CCC[NH3+])[C@@H]1C 306533356 345405761 /nfs/dbraw/zinc/40/57/61/345405761.db2.gz CVGVOAXAUULHIC-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1[C@@H](C)OCC[N@@H+]1CCC[NH3+] 306533352 345405814 /nfs/dbraw/zinc/40/58/14/345405814.db2.gz CVGVOAXAUULHIC-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H]1[C@@H](C)OCC[N@H+]1CCC[NH3+] 306533352 345405816 /nfs/dbraw/zinc/40/58/16/345405816.db2.gz CVGVOAXAUULHIC-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@H](C[NH3+])[C@]1(O)CC[N@@H+](C)C[C@H]1C 306557848 345433343 /nfs/dbraw/zinc/43/33/43/345433343.db2.gz JPDWLWUVXCHAGA-OPRDCNLKSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[N@H+](C)CC[C@@]1(O)[C@H](C)C[NH3+] 306557847 345433367 /nfs/dbraw/zinc/43/33/67/345433367.db2.gz JPDWLWUVXCHAGA-KXUCPTDWSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](C)C[C@H]1C 306557846 345433559 /nfs/dbraw/zinc/43/35/59/345433559.db2.gz JPDWLWUVXCHAGA-BBBLOLIVSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[N@H+](C)CC[C@]1(O)[C@H](C)C[NH3+] 306557849 345433631 /nfs/dbraw/zinc/43/36/31/345433631.db2.gz JPDWLWUVXCHAGA-UTLUCORTSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]([NH3+])C1CC[NH+](C[C@@H](C)[NH3+])CC1 306570528 345448013 /nfs/dbraw/zinc/44/80/13/345448013.db2.gz YXLAPOWNHPYQOC-BDAKNGLRSA-N 3 1 185.315 0.393 20 0 ACADMP C[C@H]([NH3+])C1CC[NH+](C[C@@H](C)N)CC1 306570528 345448014 /nfs/dbraw/zinc/44/80/14/345448014.db2.gz YXLAPOWNHPYQOC-BDAKNGLRSA-N 2 1 185.315 0.393 20 0 ACADMP C[C@H]([NH3+])C[NH+]1CCC([C@@H](C)[NH3+])CC1 306570529 345448183 /nfs/dbraw/zinc/44/81/83/345448183.db2.gz YXLAPOWNHPYQOC-DTWKUNHWSA-N 3 1 185.315 0.393 20 0 ACADMP C[C@H](N)C[NH+]1CCC([C@@H](C)[NH3+])CC1 306570529 345448185 /nfs/dbraw/zinc/44/81/85/345448185.db2.gz YXLAPOWNHPYQOC-DTWKUNHWSA-N 2 1 185.315 0.393 20 0 ACADMP C[C@H]([NH3+])C[NH+]1CCC([C@H](C)[NH3+])CC1 306570530 345448199 /nfs/dbraw/zinc/44/81/99/345448199.db2.gz YXLAPOWNHPYQOC-IUCAKERBSA-N 3 1 185.315 0.393 20 0 ACADMP C[C@H](N)C[NH+]1CCC([C@H](C)[NH3+])CC1 306570530 345448200 /nfs/dbraw/zinc/44/82/00/345448200.db2.gz YXLAPOWNHPYQOC-IUCAKERBSA-N 2 1 185.315 0.393 20 0 ACADMP CC1(C)CC[C@@H]1[NH2+]CC[NH3+] 306572777 345449659 /nfs/dbraw/zinc/44/96/59/345449659.db2.gz BBZUKRKOZQVOHQ-ZETCQYMHSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306572509 345449756 /nfs/dbraw/zinc/44/97/56/345449756.db2.gz GTBOBDAIHKFHJU-NXEZZACHSA-N 2 1 184.283 0.053 20 0 ACADMP CC1(C)CC[C@H]1[NH2+]CC[NH3+] 306572776 345449829 /nfs/dbraw/zinc/44/98/29/345449829.db2.gz BBZUKRKOZQVOHQ-SSDOTTSWSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 306581791 345458685 /nfs/dbraw/zinc/45/86/85/345458685.db2.gz CLXVQZFXICNICR-ZNSHCXBVSA-N 2 1 180.295 0.794 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 306600386 345476494 /nfs/dbraw/zinc/47/64/94/345476494.db2.gz SZEFJNMZWSDITP-XHNCKOQMSA-N 2 1 168.284 0.921 20 0 ACADMP C[C@H](O)[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306633624 345502623 /nfs/dbraw/zinc/50/26/23/345502623.db2.gz SCRCSPMQFYSASO-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 306633625 345502690 /nfs/dbraw/zinc/50/26/90/345502690.db2.gz SCRCSPMQFYSASO-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 306638250 345505967 /nfs/dbraw/zinc/50/59/67/345505967.db2.gz BTNSPNWLRKFBLT-QWRGUYRKSA-N 2 1 198.310 0.395 20 0 ACADMP C[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 306638263 345506098 /nfs/dbraw/zinc/50/60/98/345506098.db2.gz BTNSPNWLRKFBLT-WDEREUQCSA-N 2 1 198.310 0.395 20 0 ACADMP C[C@H]1C[C@H](O)C[N@H+]1CC1CC[NH2+]CC1 306643703 345512229 /nfs/dbraw/zinc/51/22/29/345512229.db2.gz XMZCRHQACCCORH-ONGXEEELSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1C[C@@H](O)C[N@H+]1CC1CC[NH2+]CC1 306643700 345512408 /nfs/dbraw/zinc/51/24/08/345512408.db2.gz XMZCRHQACCCORH-GXSJLCMTSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]1C[C@@H](N)C[N@@H+]1CCCF 306644219 345512824 /nfs/dbraw/zinc/51/28/24/345512824.db2.gz YXIIHUICDSXUKR-JGVFFNPUSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCF 306644219 345512828 /nfs/dbraw/zinc/51/28/28/345512828.db2.gz YXIIHUICDSXUKR-JGVFFNPUSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCF 306644219 345512830 /nfs/dbraw/zinc/51/28/30/345512830.db2.gz YXIIHUICDSXUKR-JGVFFNPUSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@H](N)C[N@@H+]1CCCF 306644221 345512850 /nfs/dbraw/zinc/51/28/50/345512850.db2.gz YXIIHUICDSXUKR-YUMQZZPRSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCF 306644221 345512853 /nfs/dbraw/zinc/51/28/53/345512853.db2.gz YXIIHUICDSXUKR-YUMQZZPRSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCF 306644221 345512855 /nfs/dbraw/zinc/51/28/55/345512855.db2.gz YXIIHUICDSXUKR-YUMQZZPRSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@@H](N)C[N@@H+]1CCCF 306644218 345512963 /nfs/dbraw/zinc/51/29/63/345512963.db2.gz YXIIHUICDSXUKR-HTQZYQBOSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCF 306644218 345512966 /nfs/dbraw/zinc/51/29/66/345512966.db2.gz YXIIHUICDSXUKR-HTQZYQBOSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCF 306644218 345512968 /nfs/dbraw/zinc/51/29/68/345512968.db2.gz YXIIHUICDSXUKR-HTQZYQBOSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@H](N)C[N@@H+]1CCCF 306644220 345513082 /nfs/dbraw/zinc/51/30/82/345513082.db2.gz YXIIHUICDSXUKR-SFYZADRCSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCF 306644220 345513086 /nfs/dbraw/zinc/51/30/86/345513086.db2.gz YXIIHUICDSXUKR-SFYZADRCSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCF 306644220 345513088 /nfs/dbraw/zinc/51/30/88/345513088.db2.gz YXIIHUICDSXUKR-SFYZADRCSA-N 2 1 160.236 0.768 20 0 ACADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306651038 345518375 /nfs/dbraw/zinc/51/83/75/345518375.db2.gz FWHXFGRODPDBNA-XWLWVQCSSA-N 2 1 180.295 0.794 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306651037 345518484 /nfs/dbraw/zinc/51/84/84/345518484.db2.gz FWHXFGRODPDBNA-DBIOUOCHSA-N 2 1 180.295 0.794 20 0 ACADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306651040 345518601 /nfs/dbraw/zinc/51/86/01/345518601.db2.gz FWHXFGRODPDBNA-ZRUFSTJUSA-N 2 1 180.295 0.794 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306651039 345518612 /nfs/dbraw/zinc/51/86/12/345518612.db2.gz FWHXFGRODPDBNA-YTWAJWBKSA-N 2 1 180.295 0.794 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306653102 345519633 /nfs/dbraw/zinc/51/96/33/345519633.db2.gz GTBOBDAIHKFHJU-VHSXEESVSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306653101 345519841 /nfs/dbraw/zinc/51/98/41/345519841.db2.gz GTBOBDAIHKFHJU-UWVGGRQHSA-N 2 1 184.283 0.053 20 0 ACADMP [NH3+]C1CCN(CC2CC[NH2+]CC2)CC1 306668513 345530909 /nfs/dbraw/zinc/53/09/09/345530909.db2.gz KHRCHKJBGFGTGV-UHFFFAOYSA-N 2 1 197.326 0.409 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CCC2(CC[NH2+]CC2)C1 306670367 345532545 /nfs/dbraw/zinc/53/25/45/345532545.db2.gz LQNPPQUBDIREJA-JTQLQIEISA-N 3 1 197.326 0.409 20 0 ACADMP C[C@H](N)C[N@@H+]1CCC2(CC[NH2+]CC2)C1 306670367 345532547 /nfs/dbraw/zinc/53/25/47/345532547.db2.gz LQNPPQUBDIREJA-JTQLQIEISA-N 2 1 197.326 0.409 20 0 ACADMP C[C@H](N)C[N@H+]1CCC2(CC[NH2+]CC2)C1 306670367 345532549 /nfs/dbraw/zinc/53/25/49/345532549.db2.gz LQNPPQUBDIREJA-JTQLQIEISA-N 2 1 197.326 0.409 20 0 ACADMP C[C@H]([NH3+])CN1CCC2(CC[NH2+]CC2)C1 306670367 345532550 /nfs/dbraw/zinc/53/25/50/345532550.db2.gz LQNPPQUBDIREJA-JTQLQIEISA-N 2 1 197.326 0.409 20 0 ACADMP C[NH+]1[C@H]2CC[C@@H]1CC([N@@H+](C)CCO)C2 306732493 345580596 /nfs/dbraw/zinc/58/05/96/345580596.db2.gz HFJMFDDMNNTZTO-ZACCUICWSA-N 2 1 198.310 0.536 20 0 ACADMP C[NH+](CCO)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 306732493 345580599 /nfs/dbraw/zinc/58/05/99/345580599.db2.gz HFJMFDDMNNTZTO-ZACCUICWSA-N 2 1 198.310 0.536 20 0 ACADMP C[NH+](CCO)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 306732493 345580601 /nfs/dbraw/zinc/58/06/01/345580601.db2.gz HFJMFDDMNNTZTO-ZACCUICWSA-N 2 1 198.310 0.536 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306732417 345580678 /nfs/dbraw/zinc/58/06/78/345580678.db2.gz RZPTZCDDNLVDQV-GARJFASQSA-N 2 1 198.310 0.441 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306732422 345580753 /nfs/dbraw/zinc/58/07/53/345580753.db2.gz RZPTZCDDNLVDQV-VWYCJHECSA-N 2 1 198.310 0.441 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306732415 345580794 /nfs/dbraw/zinc/58/07/94/345580794.db2.gz RZPTZCDDNLVDQV-DCAQKATOSA-N 2 1 198.310 0.441 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306732420 345580831 /nfs/dbraw/zinc/58/08/31/345580831.db2.gz RZPTZCDDNLVDQV-OUAUKWLOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCOC1 306743745 345587193 /nfs/dbraw/zinc/58/71/93/345587193.db2.gz HIZFKZBJPOYCHE-UTLUCORTSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCOC1 306743745 345587197 /nfs/dbraw/zinc/58/71/97/345587197.db2.gz HIZFKZBJPOYCHE-UTLUCORTSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCOC1 306743743 345587431 /nfs/dbraw/zinc/58/74/31/345587431.db2.gz HIZFKZBJPOYCHE-KXUCPTDWSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCOC1 306743743 345587433 /nfs/dbraw/zinc/58/74/33/345587433.db2.gz HIZFKZBJPOYCHE-KXUCPTDWSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCOC1 306743744 345587639 /nfs/dbraw/zinc/58/76/39/345587639.db2.gz HIZFKZBJPOYCHE-OPRDCNLKSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCOC1 306743742 345587670 /nfs/dbraw/zinc/58/76/70/345587670.db2.gz HIZFKZBJPOYCHE-BBBLOLIVSA-N 2 1 184.283 0.444 20 0 ACADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC(O)C1 306760436 345596523 /nfs/dbraw/zinc/59/65/23/345596523.db2.gz XXKPCKNKSVBMPE-UHFFFAOYSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CC1 306767648 345602318 /nfs/dbraw/zinc/60/23/18/345602318.db2.gz CVQWVVZMGAKQBE-IONNQARKSA-N 2 1 154.257 0.879 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC1 306767646 345602459 /nfs/dbraw/zinc/60/24/59/345602459.db2.gz CVQWVVZMGAKQBE-CBAPKCEASA-N 2 1 154.257 0.879 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC1 306767645 345602475 /nfs/dbraw/zinc/60/24/75/345602475.db2.gz CVQWVVZMGAKQBE-APPZFPTMSA-N 2 1 154.257 0.879 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC1 306767649 345602533 /nfs/dbraw/zinc/60/25/33/345602533.db2.gz CVQWVVZMGAKQBE-VXNVDRBHSA-N 2 1 154.257 0.879 20 0 ACADMP C[C@H]([NH2+]C1CC1)[C@@H]1CCC[NH2+]1 306803021 345624354 /nfs/dbraw/zinc/62/43/54/345624354.db2.gz VCFFORLMYWKSMA-CBAPKCEASA-N 2 1 154.257 0.879 20 0 ACADMP C[C@H]([NH2+]C1CC1)[C@H]1CCC[NH2+]1 306803022 345624605 /nfs/dbraw/zinc/62/46/05/345624605.db2.gz VCFFORLMYWKSMA-IONNQARKSA-N 2 1 154.257 0.879 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1CC[NH2+]C1 306888336 345684608 /nfs/dbraw/zinc/68/46/08/345684608.db2.gz VTKNQZARWNGDBN-MXWKQRLJSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@@H]1CC[NH2+]C1 306888336 345684611 /nfs/dbraw/zinc/68/46/11/345684611.db2.gz VTKNQZARWNGDBN-MXWKQRLJSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1CC[NH2+]C1 306888337 345684667 /nfs/dbraw/zinc/68/46/67/345684667.db2.gz VTKNQZARWNGDBN-OUAUKWLOSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@H]1CC[NH2+]C1 306888337 345684671 /nfs/dbraw/zinc/68/46/71/345684671.db2.gz VTKNQZARWNGDBN-OUAUKWLOSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1CC[NH2+]C1 306888338 345684722 /nfs/dbraw/zinc/68/47/22/345684722.db2.gz VTKNQZARWNGDBN-VWYCJHECSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C[C@H]1CC[NH2+]C1 306888338 345684725 /nfs/dbraw/zinc/68/47/25/345684725.db2.gz VTKNQZARWNGDBN-VWYCJHECSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CC[NH2+]C1 306888335 345684873 /nfs/dbraw/zinc/68/48/73/345684873.db2.gz VTKNQZARWNGDBN-GMTAPVOTSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CC[NH2+]C1 306888335 345684875 /nfs/dbraw/zinc/68/48/75/345684875.db2.gz VTKNQZARWNGDBN-GMTAPVOTSA-N 3 1 197.326 0.265 20 0 ACADMP C[N@H+]1C[C@@H]2CN(CC(C)(C)[NH3+])C[C@@H]2C1 306891103 345687623 /nfs/dbraw/zinc/68/76/23/345687623.db2.gz ZUMBIFHDENGCJT-AOOOYVTPSA-N 2 1 197.326 0.217 20 0 ACADMP CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 307004315 345746268 /nfs/dbraw/zinc/74/62/68/345746268.db2.gz DFJKOXVVPUKBAY-VHSXEESVSA-N 2 1 168.284 0.938 20 0 ACADMP CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307004317 345746356 /nfs/dbraw/zinc/74/63/56/345746356.db2.gz DFJKOXVVPUKBAY-ZJUUUORDSA-N 2 1 168.284 0.938 20 0 ACADMP CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 307004312 345746383 /nfs/dbraw/zinc/74/63/83/345746383.db2.gz DFJKOXVVPUKBAY-UWVGGRQHSA-N 2 1 168.284 0.938 20 0 ACADMP CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307004310 345746391 /nfs/dbraw/zinc/74/63/91/345746391.db2.gz DFJKOXVVPUKBAY-NXEZZACHSA-N 2 1 168.284 0.938 20 0 ACADMP CC[C@H](C)[N@H+]1CCCO[C@@H](CN)C1 307094587 345806513 /nfs/dbraw/zinc/80/65/13/345806513.db2.gz FIFAQLHSMISEGF-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 307094587 345806516 /nfs/dbraw/zinc/80/65/16/345806516.db2.gz FIFAQLHSMISEGF-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 307094618 345806635 /nfs/dbraw/zinc/80/66/35/345806635.db2.gz FIFAQLHSMISEGF-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 307094618 345806636 /nfs/dbraw/zinc/80/66/36/345806636.db2.gz FIFAQLHSMISEGF-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC(O)C1 307104975 345812466 /nfs/dbraw/zinc/81/24/66/345812466.db2.gz JCSLRHIIDUBGPI-KPPDAEKUSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307158890 345851018 /nfs/dbraw/zinc/85/10/18/345851018.db2.gz SZEFJNMZWSDITP-HLTSFMKQSA-N 2 1 168.284 0.921 20 0 ACADMP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C[NH3+])C1 307183110 345871610 /nfs/dbraw/zinc/87/16/10/345871610.db2.gz PABVCPSDOKDBIA-VIFPVBQESA-N 2 1 194.282 0.499 20 0 ACADMP Cc1n[nH]cc1C[N@H+]1CC[C@H](C[NH3+])C1 307183109 345871622 /nfs/dbraw/zinc/87/16/22/345871622.db2.gz PABVCPSDOKDBIA-SECBINFHSA-N 2 1 194.282 0.499 20 0 ACADMP [NH3+]C1CC([NH2+]Cc2cccc(O)c2)C1 307252663 345924191 /nfs/dbraw/zinc/92/41/91/345924191.db2.gz SSOJKKULPDJPFO-UHFFFAOYSA-N 2 1 192.262 0.972 20 0 ACADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCCC2)C1 307302376 345957170 /nfs/dbraw/zinc/95/71/70/345957170.db2.gz VENCWLSBUWWTBI-NSHDSACASA-N 2 1 198.310 0.585 20 0 ACADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCCC2)C1 307302376 345957171 /nfs/dbraw/zinc/95/71/71/345957171.db2.gz VENCWLSBUWWTBI-NSHDSACASA-N 2 1 198.310 0.585 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CC1 307331741 345975790 /nfs/dbraw/zinc/97/57/90/345975790.db2.gz PPOODGLLZMUIKW-VXNVDRBHSA-N 2 1 154.257 0.818 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CC1 307331741 345975794 /nfs/dbraw/zinc/97/57/94/345975794.db2.gz PPOODGLLZMUIKW-VXNVDRBHSA-N 2 1 154.257 0.818 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CC1 307331739 345975843 /nfs/dbraw/zinc/97/58/43/345975843.db2.gz PPOODGLLZMUIKW-CBAPKCEASA-N 2 1 154.257 0.818 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CC1 307331739 345975845 /nfs/dbraw/zinc/97/58/45/345975845.db2.gz PPOODGLLZMUIKW-CBAPKCEASA-N 2 1 154.257 0.818 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CC1 307331738 345975863 /nfs/dbraw/zinc/97/58/63/345975863.db2.gz PPOODGLLZMUIKW-APPZFPTMSA-N 2 1 154.257 0.818 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CC1 307331738 345975866 /nfs/dbraw/zinc/97/58/66/345975866.db2.gz PPOODGLLZMUIKW-APPZFPTMSA-N 2 1 154.257 0.818 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CC1 307331740 345976305 /nfs/dbraw/zinc/97/63/05/345976305.db2.gz PPOODGLLZMUIKW-IONNQARKSA-N 2 1 154.257 0.818 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CC1 307331740 345976307 /nfs/dbraw/zinc/97/63/07/345976307.db2.gz PPOODGLLZMUIKW-IONNQARKSA-N 2 1 154.257 0.818 20 0 ACADMP CCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 307514687 346085102 /nfs/dbraw/zinc/08/51/02/346085102.db2.gz RNHSDWXOZZVNQN-JGVFFNPUSA-N 2 1 142.246 0.818 20 0 ACADMP CCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 307514687 346085098 /nfs/dbraw/zinc/08/50/98/346085098.db2.gz RNHSDWXOZZVNQN-JGVFFNPUSA-N 2 1 142.246 0.818 20 0 ACADMP C[C@H]([NH3+])C1CCN(CC(C)(C)[NH3+])CC1 307515547 346085850 /nfs/dbraw/zinc/08/58/50/346085850.db2.gz PDRDZKIXOIEYQH-VIFPVBQESA-N 2 1 199.342 0.783 20 0 ACADMP C[N@H+]1CCC[C@](O)(C2(C[NH3+])CC2)C1 307526485 346092099 /nfs/dbraw/zinc/09/20/99/346092099.db2.gz JYRUUKXSUZUTSB-SNVBAGLBSA-N 2 1 184.283 0.182 20 0 ACADMP C[N@H+]1CCC[C@@](O)(C2(C[NH3+])CC2)C1 307526484 346092122 /nfs/dbraw/zinc/09/21/22/346092122.db2.gz JYRUUKXSUZUTSB-JTQLQIEISA-N 2 1 184.283 0.182 20 0 ACADMP Cc1[nH+]cn(CC2C[NH2+]C2)c1C 307534088 346096928 /nfs/dbraw/zinc/09/69/28/346096928.db2.gz BFNCGQCFGWUBII-UHFFFAOYSA-N 2 1 165.240 0.719 20 0 ACADMP CC[N@H+]1C[C@@H](N)C(C)(C)C1 307557672 346111681 /nfs/dbraw/zinc/11/16/81/346111681.db2.gz BSRWLFIONUWNJM-SSDOTTSWSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1C[C@H](N)C(C)(C)C1 307557674 346111784 /nfs/dbraw/zinc/11/17/84/346111784.db2.gz BSRWLFIONUWNJM-ZETCQYMHSA-N 2 1 142.246 0.675 20 0 ACADMP C[N@@H+](C[C@@H]1CCOC1)C1CC([NH3+])C1 307638956 346162075 /nfs/dbraw/zinc/16/20/75/346162075.db2.gz ZBJPGCAAWNXILR-IDKOKCKLSA-N 2 1 184.283 0.444 20 0 ACADMP CC1(C)[C@H]2C[N@@H+](CCC[NH3+])C[C@H]21 307638609 346162123 /nfs/dbraw/zinc/16/21/23/346162123.db2.gz YJCJKXBJCPCXOL-DTORHVGOSA-N 2 1 168.284 0.923 20 0 ACADMP C[N@@H+](C[C@H]1CCOC1)C1CC([NH3+])C1 307638959 346162420 /nfs/dbraw/zinc/16/24/20/346162420.db2.gz ZBJPGCAAWNXILR-XNWIYYODSA-N 2 1 184.283 0.444 20 0 ACADMP CSC[C@@H]1CCC[N@@H+]1CCN 307664760 346171763 /nfs/dbraw/zinc/17/17/63/346171763.db2.gz ZHALYCACHDGVEJ-QMMMGPOBSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@@H]1CCC[N@H+]1CCN 307664760 346171765 /nfs/dbraw/zinc/17/17/65/346171765.db2.gz ZHALYCACHDGVEJ-QMMMGPOBSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@@H]1CCC[N@@H+]1CC[NH3+] 307664760 346171767 /nfs/dbraw/zinc/17/17/67/346171767.db2.gz ZHALYCACHDGVEJ-QMMMGPOBSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@@H]1CCC[N@H+]1CC[NH3+] 307664760 346171769 /nfs/dbraw/zinc/17/17/69/346171769.db2.gz ZHALYCACHDGVEJ-QMMMGPOBSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@H]1CCC[N@@H+]1CCN 307664759 346171808 /nfs/dbraw/zinc/17/18/08/346171808.db2.gz ZHALYCACHDGVEJ-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@H]1CCC[N@H+]1CCN 307664759 346171811 /nfs/dbraw/zinc/17/18/11/346171811.db2.gz ZHALYCACHDGVEJ-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@H]1CCC[N@@H+]1CC[NH3+] 307664759 346171813 /nfs/dbraw/zinc/17/18/13/346171813.db2.gz ZHALYCACHDGVEJ-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP CSC[C@H]1CCC[N@H+]1CC[NH3+] 307664759 346171815 /nfs/dbraw/zinc/17/18/15/346171815.db2.gz ZHALYCACHDGVEJ-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP C[C@H]1C[C@](O)(C2(C[NH3+])CC2)C[N@H+]1C 307667885 346173341 /nfs/dbraw/zinc/17/33/41/346173341.db2.gz PODLMXAOBJEIDR-WCBMZHEXSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@@H]1C[C@@](O)(C2(C[NH3+])CC2)C[N@H+]1C 307667884 346173363 /nfs/dbraw/zinc/17/33/63/346173363.db2.gz PODLMXAOBJEIDR-SCZZXKLOSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H]1C[C@@](O)(C2(C[NH3+])CC2)C[N@H+]1C 307667886 346173450 /nfs/dbraw/zinc/17/34/50/346173450.db2.gz PODLMXAOBJEIDR-WPRPVWTQSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@@H]1C[C@](O)(C2(C[NH3+])CC2)C[N@H+]1C 307667883 346173495 /nfs/dbraw/zinc/17/34/95/346173495.db2.gz PODLMXAOBJEIDR-PSASIEDQSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 307672902 346175284 /nfs/dbraw/zinc/17/52/84/346175284.db2.gz ZKSAEIBTGCFCBA-OUAUKWLOSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 307672902 346175286 /nfs/dbraw/zinc/17/52/86/346175286.db2.gz ZKSAEIBTGCFCBA-OUAUKWLOSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 307672901 346175585 /nfs/dbraw/zinc/17/55/85/346175585.db2.gz ZKSAEIBTGCFCBA-MXWKQRLJSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 307672901 346175587 /nfs/dbraw/zinc/17/55/87/346175587.db2.gz ZKSAEIBTGCFCBA-MXWKQRLJSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CCOC2)C1 307709674 346196457 /nfs/dbraw/zinc/19/64/57/346196457.db2.gz NCTZZAAOVOQBKV-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CCOC2)C1 307709674 346196459 /nfs/dbraw/zinc/19/64/59/346196459.db2.gz NCTZZAAOVOQBKV-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732095 346208545 /nfs/dbraw/zinc/20/85/45/346208545.db2.gz KYGUEJNFHJRBKN-VPOLOUISSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732095 346208550 /nfs/dbraw/zinc/20/85/50/346208550.db2.gz KYGUEJNFHJRBKN-VPOLOUISSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732094 346208657 /nfs/dbraw/zinc/20/86/57/346208657.db2.gz KYGUEJNFHJRBKN-UKKRHICBSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732094 346208661 /nfs/dbraw/zinc/20/86/61/346208661.db2.gz KYGUEJNFHJRBKN-UKKRHICBSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732093 346208781 /nfs/dbraw/zinc/20/87/81/346208781.db2.gz KYGUEJNFHJRBKN-LMLFDSFASA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732093 346208782 /nfs/dbraw/zinc/20/87/82/346208782.db2.gz KYGUEJNFHJRBKN-LMLFDSFASA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732096 346208784 /nfs/dbraw/zinc/20/87/84/346208784.db2.gz KYGUEJNFHJRBKN-XWLWVQCSSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 307732096 346208786 /nfs/dbraw/zinc/20/87/86/346208786.db2.gz KYGUEJNFHJRBKN-XWLWVQCSSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc[nH]n1 307748736 346218359 /nfs/dbraw/zinc/21/83/59/346218359.db2.gz CYIMJQSWIJEBFD-DTWKUNHWSA-N 2 1 194.282 0.579 20 0 ACADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc[nH]n1 307748736 346218361 /nfs/dbraw/zinc/21/83/61/346218361.db2.gz CYIMJQSWIJEBFD-DTWKUNHWSA-N 2 1 194.282 0.579 20 0 ACADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc[nH]n1 307748737 346218369 /nfs/dbraw/zinc/21/83/69/346218369.db2.gz CYIMJQSWIJEBFD-IUCAKERBSA-N 2 1 194.282 0.579 20 0 ACADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc[nH]n1 307748737 346218371 /nfs/dbraw/zinc/21/83/71/346218371.db2.gz CYIMJQSWIJEBFD-IUCAKERBSA-N 2 1 194.282 0.579 20 0 ACADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 308092052 346255921 /nfs/dbraw/zinc/25/59/21/346255921.db2.gz IJUKRMARZHIGHC-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 308092052 346255923 /nfs/dbraw/zinc/25/59/23/346255923.db2.gz IJUKRMARZHIGHC-JTQLQIEISA-N 2 1 186.299 0.395 20 0 ACADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 308092055 346255954 /nfs/dbraw/zinc/25/59/54/346255954.db2.gz IJUKRMARZHIGHC-SNVBAGLBSA-N 2 1 186.299 0.395 20 0 ACADMP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](C)[NH3+] 308133861 346258745 /nfs/dbraw/zinc/25/87/45/346258745.db2.gz GVXBVMODZHGKQQ-JGVFFNPUSA-N 2 1 188.271 0.075 20 0 ACADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](C)[NH3+] 308133861 346258749 /nfs/dbraw/zinc/25/87/49/346258749.db2.gz GVXBVMODZHGKQQ-JGVFFNPUSA-N 2 1 188.271 0.075 20 0 ACADMP COC(=O)[C@H](C)C[N@H+](C)C[C@H](C)[NH3+] 308133862 346258936 /nfs/dbraw/zinc/25/89/36/346258936.db2.gz GVXBVMODZHGKQQ-SFYZADRCSA-N 2 1 188.271 0.075 20 0 ACADMP COC(=O)[C@@H](C)C[N@H+](C)C[C@H](C)[NH3+] 308133864 346258941 /nfs/dbraw/zinc/25/89/41/346258941.db2.gz GVXBVMODZHGKQQ-YUMQZZPRSA-N 2 1 188.271 0.075 20 0 ACADMP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](C)[NH3+] 308133864 346258943 /nfs/dbraw/zinc/25/89/43/346258943.db2.gz GVXBVMODZHGKQQ-YUMQZZPRSA-N 2 1 188.271 0.075 20 0 ACADMP COC(=O)[C@H](C)C[N@H+](C)C[C@@H](C)[NH3+] 308133859 346259036 /nfs/dbraw/zinc/25/90/36/346259036.db2.gz GVXBVMODZHGKQQ-HTQZYQBOSA-N 2 1 188.271 0.075 20 0 ACADMP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](C)[NH3+] 308133859 346259039 /nfs/dbraw/zinc/25/90/39/346259039.db2.gz GVXBVMODZHGKQQ-HTQZYQBOSA-N 2 1 188.271 0.075 20 0 ACADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)CC 308212291 346270210 /nfs/dbraw/zinc/27/02/10/346270210.db2.gz XBJOUDMYQFSAMQ-JTQLQIEISA-N 2 1 188.315 0.641 20 0 ACADMP CC[NH+](CC)C[C@@H](O)C[N@H+](C)CC 308212291 346270213 /nfs/dbraw/zinc/27/02/13/346270213.db2.gz XBJOUDMYQFSAMQ-JTQLQIEISA-N 2 1 188.315 0.641 20 0 ACADMP CC[NH+](CC)C[C@H](O)C[N@@H+](C)CC 308212292 346270384 /nfs/dbraw/zinc/27/03/84/346270384.db2.gz XBJOUDMYQFSAMQ-SNVBAGLBSA-N 2 1 188.315 0.641 20 0 ACADMP CC[NH+](CC)C[C@H](O)C[N@H+](C)CC 308212292 346270387 /nfs/dbraw/zinc/27/03/87/346270387.db2.gz XBJOUDMYQFSAMQ-SNVBAGLBSA-N 2 1 188.315 0.641 20 0 ACADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](O)C1 334145655 346326839 /nfs/dbraw/zinc/32/68/39/346326839.db2.gz MNBCYBRQTJWNSA-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](O)C1 334145655 346326844 /nfs/dbraw/zinc/32/68/44/346326844.db2.gz MNBCYBRQTJWNSA-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](O)C1 334145655 346326849 /nfs/dbraw/zinc/32/68/49/346326849.db2.gz MNBCYBRQTJWNSA-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)C1 334145654 346327225 /nfs/dbraw/zinc/32/72/25/346327225.db2.gz MNBCYBRQTJWNSA-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](O)C1 334145654 346327226 /nfs/dbraw/zinc/32/72/26/346327226.db2.gz MNBCYBRQTJWNSA-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](O)C1 334145654 346327223 /nfs/dbraw/zinc/32/72/23/346327223.db2.gz MNBCYBRQTJWNSA-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP CC1CC([NH2+]C[C@@H]2C[NH2+]CCN2C)C1 334836708 346366161 /nfs/dbraw/zinc/36/61/61/346366161.db2.gz IINCKKAEKKBBJH-ILDUYXDCSA-N 2 1 197.326 0.278 20 0 ACADMP CC1CC([NH2+]C[C@H]2C[NH2+]CCN2C)C1 334836713 346366305 /nfs/dbraw/zinc/36/63/05/346366305.db2.gz IINCKKAEKKBBJH-VQXHTEKXSA-N 2 1 197.326 0.278 20 0 ACADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC([NH3+])C1 334869025 346368462 /nfs/dbraw/zinc/36/84/62/346368462.db2.gz OAQMXXPFTFHFES-UHFFFAOYSA-N 2 1 197.326 0.408 20 0 ACADMP C[N@H+](CC1CC[NH2+]CC1)C1CC(N)C1 334869025 346368464 /nfs/dbraw/zinc/36/84/64/346368464.db2.gz OAQMXXPFTFHFES-UHFFFAOYSA-N 2 1 197.326 0.408 20 0 ACADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC(N)C1 334869025 346368467 /nfs/dbraw/zinc/36/84/67/346368467.db2.gz OAQMXXPFTFHFES-UHFFFAOYSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC1 334866060 346368504 /nfs/dbraw/zinc/36/85/04/346368504.db2.gz VXUYQGOVRAOGAZ-WPRPVWTQSA-N 2 1 168.284 0.984 20 0 ACADMP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCOC2)C1 334888632 346368806 /nfs/dbraw/zinc/36/88/06/346368806.db2.gz IJYRRQUQCJYDOP-MNOVXSKESA-N 2 1 198.310 0.659 20 0 ACADMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCOC2)C1 334888630 346368863 /nfs/dbraw/zinc/36/88/63/346368863.db2.gz IJYRRQUQCJYDOP-GHMZBOCLSA-N 2 1 198.310 0.659 20 0 ACADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCOC2)C1 334888636 346368950 /nfs/dbraw/zinc/36/89/50/346368950.db2.gz IJYRRQUQCJYDOP-WDEREUQCSA-N 2 1 198.310 0.659 20 0 ACADMP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCOC2)C1 334888633 346369306 /nfs/dbraw/zinc/36/93/06/346369306.db2.gz IJYRRQUQCJYDOP-QWRGUYRKSA-N 2 1 198.310 0.659 20 0 ACADMP CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 335044388 346376412 /nfs/dbraw/zinc/37/64/12/346376412.db2.gz YSZLCECAJFUCGB-DTWKUNHWSA-N 2 1 156.273 0.984 20 0 ACADMP CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 335044390 346376586 /nfs/dbraw/zinc/37/65/86/346376586.db2.gz YSZLCECAJFUCGB-RKDXNWHRSA-N 2 1 156.273 0.984 20 0 ACADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[NH2+]C1 335525728 346402949 /nfs/dbraw/zinc/40/29/49/346402949.db2.gz RLEJLLQYEHMQGI-KWQFWETISA-N 2 1 195.310 0.031 20 0 ACADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1C[NH2+]C1 335525726 346403076 /nfs/dbraw/zinc/40/30/76/346403076.db2.gz RLEJLLQYEHMQGI-GZMMTYOYSA-N 2 1 195.310 0.031 20 0 ACADMP COCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 379362044 346506912 /nfs/dbraw/zinc/50/69/12/346506912.db2.gz CWSLVWZSYVXZAG-SECBINFHSA-N 2 1 186.299 0.611 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)CCC[NH3+] 382066722 346532268 /nfs/dbraw/zinc/53/22/68/346532268.db2.gz QUSMTZYROIAYGB-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)CCC[NH3+] 382066721 346532352 /nfs/dbraw/zinc/53/23/52/346532352.db2.gz QUSMTZYROIAYGB-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CCC[NH3+] 382066724 346532576 /nfs/dbraw/zinc/53/25/76/346532576.db2.gz QUSMTZYROIAYGB-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@@H+](C)CCC[NH3+] 382066725 346532641 /nfs/dbraw/zinc/53/26/41/346532641.db2.gz QUSMTZYROIAYGB-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 385164002 346542353 /nfs/dbraw/zinc/54/23/53/346542353.db2.gz CHVXKSUGOKIOIK-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 385164002 346542356 /nfs/dbraw/zinc/54/23/56/346542356.db2.gz CHVXKSUGOKIOIK-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 385166439 346542373 /nfs/dbraw/zinc/54/23/73/346542373.db2.gz DEUFBXBSRKQCGM-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 385166439 346542376 /nfs/dbraw/zinc/54/23/76/346542376.db2.gz DEUFBXBSRKQCGM-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 385163998 346542550 /nfs/dbraw/zinc/54/25/50/346542550.db2.gz CHVXKSUGOKIOIK-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 385163998 346542554 /nfs/dbraw/zinc/54/25/54/346542554.db2.gz CHVXKSUGOKIOIK-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 385163993 346542656 /nfs/dbraw/zinc/54/26/56/346542656.db2.gz CHVXKSUGOKIOIK-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 385163993 346542657 /nfs/dbraw/zinc/54/26/57/346542657.db2.gz CHVXKSUGOKIOIK-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 385166442 346542680 /nfs/dbraw/zinc/54/26/80/346542680.db2.gz DEUFBXBSRKQCGM-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 385166442 346542684 /nfs/dbraw/zinc/54/26/84/346542684.db2.gz DEUFBXBSRKQCGM-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 385163995 346542730 /nfs/dbraw/zinc/54/27/30/346542730.db2.gz CHVXKSUGOKIOIK-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CCOCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 385163995 346542732 /nfs/dbraw/zinc/54/27/32/346542732.db2.gz CHVXKSUGOKIOIK-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 385166447 346542819 /nfs/dbraw/zinc/54/28/19/346542819.db2.gz DEUFBXBSRKQCGM-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 385166447 346542820 /nfs/dbraw/zinc/54/28/20/346542820.db2.gz DEUFBXBSRKQCGM-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 385166437 346542852 /nfs/dbraw/zinc/54/28/52/346542852.db2.gz DEUFBXBSRKQCGM-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 385166437 346542854 /nfs/dbraw/zinc/54/28/54/346542854.db2.gz DEUFBXBSRKQCGM-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP COCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 385251333 346543218 /nfs/dbraw/zinc/54/32/18/346543218.db2.gz NZDDXTXZMZQDFK-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 385251333 346543221 /nfs/dbraw/zinc/54/32/21/346543221.db2.gz NZDDXTXZMZQDFK-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 385251334 346543401 /nfs/dbraw/zinc/54/34/01/346543401.db2.gz NZDDXTXZMZQDFK-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 385251334 346543404 /nfs/dbraw/zinc/54/34/04/346543404.db2.gz NZDDXTXZMZQDFK-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 385251336 346543448 /nfs/dbraw/zinc/54/34/48/346543448.db2.gz NZDDXTXZMZQDFK-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 385251336 346543453 /nfs/dbraw/zinc/54/34/53/346543453.db2.gz NZDDXTXZMZQDFK-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 385251335 346543917 /nfs/dbraw/zinc/54/39/17/346543917.db2.gz NZDDXTXZMZQDFK-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP COCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 385251335 346543919 /nfs/dbraw/zinc/54/39/19/346543919.db2.gz NZDDXTXZMZQDFK-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP CC1(C)[C@@H]([NH2+]CCF)C[C@H]1[NH3+] 405341140 346663885 /nfs/dbraw/zinc/66/38/85/346663885.db2.gz CTDKNTHRTXBJTF-RQJHMYQMSA-N 2 1 160.236 0.671 20 0 ACADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCF 405341137 346664020 /nfs/dbraw/zinc/66/40/20/346664020.db2.gz CTDKNTHRTXBJTF-BQBZGAKWSA-N 2 1 160.236 0.671 20 0 ACADMP CC1(C)[C@@H]([NH3+])C[C@H]1[NH2+]CCF 405341138 346664231 /nfs/dbraw/zinc/66/42/31/346664231.db2.gz CTDKNTHRTXBJTF-NKWVEPMBSA-N 2 1 160.236 0.671 20 0 ACADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCF 405341139 346664246 /nfs/dbraw/zinc/66/42/46/346664246.db2.gz CTDKNTHRTXBJTF-RNFRBKRXSA-N 2 1 160.236 0.671 20 0 ACADMP NCC[N@@H+]1CCC[C@@H](CF)C1 409429784 346689279 /nfs/dbraw/zinc/68/92/79/346689279.db2.gz PGCIUXTUPQPPIO-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP NCC[N@@H+]1CCC[C@H](CF)C1 409429783 346689313 /nfs/dbraw/zinc/68/93/13/346689313.db2.gz PGCIUXTUPQPPIO-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@@H](CF)C1 409431083 346691404 /nfs/dbraw/zinc/69/14/04/346691404.db2.gz RTLIYSUWZAONNK-QMMMGPOBSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@H](CF)C1 409431082 346691499 /nfs/dbraw/zinc/69/14/99/346691499.db2.gz RTLIYSUWZAONNK-MRVPVSSYSA-N 2 1 160.236 0.627 20 0 ACADMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 409433302 346695943 /nfs/dbraw/zinc/69/59/43/346695943.db2.gz MLMNENORIQGDOT-WDEREUQCSA-N 2 1 198.310 0.430 20 0 ACADMP COC(=O)CCCC[N@H+](C)CC[NH3+] 600710602 346915961 /nfs/dbraw/zinc/91/59/61/346915961.db2.gz PKPOBWBQAANBNX-UHFFFAOYSA-N 2 1 188.271 0.220 20 0 ACADMP COC(=O)CCCC[N@@H+](C)CC[NH3+] 600710602 346915962 /nfs/dbraw/zinc/91/59/62/346915962.db2.gz PKPOBWBQAANBNX-UHFFFAOYSA-N 2 1 188.271 0.220 20 0 ACADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCO)C1 603557282 346956524 /nfs/dbraw/zinc/95/65/24/346956524.db2.gz JAMFDNXLWSELFR-JTQLQIEISA-N 2 1 186.299 0.252 20 0 ACADMP COCC[N@H+]1CC[C@H](C[NH+](C)C)C1 603557273 346956547 /nfs/dbraw/zinc/95/65/47/346956547.db2.gz AEHYCXHCJSCQLV-SNVBAGLBSA-N 2 1 186.299 0.516 20 0 ACADMP COCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 603557272 346956617 /nfs/dbraw/zinc/95/66/17/346956617.db2.gz AEHYCXHCJSCQLV-JTQLQIEISA-N 2 1 186.299 0.516 20 0 ACADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCO)C1 603557283 346956925 /nfs/dbraw/zinc/95/69/25/346956925.db2.gz JAMFDNXLWSELFR-SNVBAGLBSA-N 2 1 186.299 0.252 20 0 ACADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621783177 347232953 /nfs/dbraw/zinc/23/29/53/347232953.db2.gz YFMVCMTVEOWLRB-DCAQKATOSA-N 2 1 198.310 0.835 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621783177 347232955 /nfs/dbraw/zinc/23/29/55/347232955.db2.gz YFMVCMTVEOWLRB-DCAQKATOSA-N 2 1 198.310 0.835 20 0 ACADMP C[NH2+]CCCN1CC[N@@H+](C)CC1(C)C 621776122 347233086 /nfs/dbraw/zinc/23/30/86/347233086.db2.gz CMKPPYWPMLZKBC-UHFFFAOYSA-N 2 1 199.342 0.622 20 0 ACADMP C[C@H]([NH3+])CN1CC[N@@H+](C)CC1(C)C 621776348 347233127 /nfs/dbraw/zinc/23/31/27/347233127.db2.gz JKZWYDKVQBPRIR-VIFPVBQESA-N 2 1 185.315 0.360 20 0 ACADMP COCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621781101 347233216 /nfs/dbraw/zinc/23/32/16/347233216.db2.gz YZQDRSHBQPADFJ-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP COCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621781101 347233218 /nfs/dbraw/zinc/23/32/18/347233218.db2.gz YZQDRSHBQPADFJ-UWVGGRQHSA-N 2 1 184.283 0.446 20 0 ACADMP COC[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621783176 347233223 /nfs/dbraw/zinc/23/32/23/347233223.db2.gz YFMVCMTVEOWLRB-AXFHLTTASA-N 2 1 198.310 0.835 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621783176 347233226 /nfs/dbraw/zinc/23/32/26/347233226.db2.gz YFMVCMTVEOWLRB-AXFHLTTASA-N 2 1 198.310 0.835 20 0 ACADMP COCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621781100 347233299 /nfs/dbraw/zinc/23/32/99/347233299.db2.gz YZQDRSHBQPADFJ-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP COCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621781100 347233301 /nfs/dbraw/zinc/23/33/01/347233301.db2.gz YZQDRSHBQPADFJ-NXEZZACHSA-N 2 1 184.283 0.446 20 0 ACADMP CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621777882 347233332 /nfs/dbraw/zinc/23/33/32/347233332.db2.gz IINGZDGFGIKFHT-DTWKUNHWSA-N 2 1 154.257 0.820 20 0 ACADMP CCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621778300 347233348 /nfs/dbraw/zinc/23/33/48/347233348.db2.gz NSVJELWBWNAMNT-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP CCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621778300 347233351 /nfs/dbraw/zinc/23/33/51/347233351.db2.gz NSVJELWBWNAMNT-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP COCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621781103 347233410 /nfs/dbraw/zinc/23/34/10/347233410.db2.gz YZQDRSHBQPADFJ-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP COCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621781103 347233413 /nfs/dbraw/zinc/23/34/13/347233413.db2.gz YZQDRSHBQPADFJ-ZJUUUORDSA-N 2 1 184.283 0.446 20 0 ACADMP COC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621783179 347233432 /nfs/dbraw/zinc/23/34/32/347233432.db2.gz YFMVCMTVEOWLRB-HBNTYKKESA-N 2 1 198.310 0.835 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621783179 347233435 /nfs/dbraw/zinc/23/34/35/347233435.db2.gz YFMVCMTVEOWLRB-HBNTYKKESA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])CN1CC[N@@H+](C)CC1(C)C 621776347 347233512 /nfs/dbraw/zinc/23/35/12/347233512.db2.gz JKZWYDKVQBPRIR-SECBINFHSA-N 2 1 185.315 0.360 20 0 ACADMP CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621777883 347233527 /nfs/dbraw/zinc/23/35/27/347233527.db2.gz IINGZDGFGIKFHT-IUCAKERBSA-N 2 1 154.257 0.820 20 0 ACADMP COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621783178 347233609 /nfs/dbraw/zinc/23/36/09/347233609.db2.gz YFMVCMTVEOWLRB-GARJFASQSA-N 2 1 198.310 0.835 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621783178 347233613 /nfs/dbraw/zinc/23/36/13/347233613.db2.gz YFMVCMTVEOWLRB-GARJFASQSA-N 2 1 198.310 0.835 20 0 ACADMP COCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621781102 347233641 /nfs/dbraw/zinc/23/36/41/347233641.db2.gz YZQDRSHBQPADFJ-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP COCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621781102 347233643 /nfs/dbraw/zinc/23/36/43/347233643.db2.gz YZQDRSHBQPADFJ-VHSXEESVSA-N 2 1 184.283 0.446 20 0 ACADMP CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621777884 347233651 /nfs/dbraw/zinc/23/36/51/347233651.db2.gz IINGZDGFGIKFHT-RKDXNWHRSA-N 2 1 154.257 0.820 20 0 ACADMP CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621777881 347233667 /nfs/dbraw/zinc/23/36/67/347233667.db2.gz IINGZDGFGIKFHT-BDAKNGLRSA-N 2 1 154.257 0.820 20 0 ACADMP CCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621778301 347233745 /nfs/dbraw/zinc/23/37/45/347233745.db2.gz NSVJELWBWNAMNT-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP CCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621778301 347233748 /nfs/dbraw/zinc/23/37/48/347233748.db2.gz NSVJELWBWNAMNT-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP CCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621778302 347233772 /nfs/dbraw/zinc/23/37/72/347233772.db2.gz NSVJELWBWNAMNT-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP CCOCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621778299 347233975 /nfs/dbraw/zinc/23/39/75/347233975.db2.gz NSVJELWBWNAMNT-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP CCOCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621778299 347233978 /nfs/dbraw/zinc/23/39/78/347233978.db2.gz NSVJELWBWNAMNT-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP COCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621784769 347234457 /nfs/dbraw/zinc/23/44/57/347234457.db2.gz UYMXZGGISIBGLL-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621784932 347234479 /nfs/dbraw/zinc/23/44/79/347234479.db2.gz WZGJGBWEZXAMIG-GXSJLCMTSA-N 2 1 198.310 0.571 20 0 ACADMP CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621784935 347234498 /nfs/dbraw/zinc/23/44/98/347234498.db2.gz WZGJGBWEZXAMIG-ONGXEEELSA-N 2 1 198.310 0.571 20 0 ACADMP CC(C)(O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621784934 347234537 /nfs/dbraw/zinc/23/45/37/347234537.db2.gz WZGJGBWEZXAMIG-MWLCHTKSSA-N 2 1 198.310 0.571 20 0 ACADMP CC(C)(O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621784933 347234613 /nfs/dbraw/zinc/23/46/13/347234613.db2.gz WZGJGBWEZXAMIG-KOLCDFICSA-N 2 1 198.310 0.571 20 0 ACADMP COCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621784768 347234766 /nfs/dbraw/zinc/23/47/66/347234766.db2.gz UYMXZGGISIBGLL-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP COCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621784771 347234646 /nfs/dbraw/zinc/23/46/46/347234646.db2.gz UYMXZGGISIBGLL-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP COCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621784770 347234833 /nfs/dbraw/zinc/23/48/33/347234833.db2.gz UYMXZGGISIBGLL-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)c1ccn(C)n1 622044469 347236321 /nfs/dbraw/zinc/23/63/21/347236321.db2.gz HGLJZCZFSNEYDQ-DTWKUNHWSA-N 2 1 196.298 0.808 20 0 ACADMP C[C@H]([NH3+])CC[NH2+]C1C[C@@H]2CC[C@H](C1)[NH2+]2 622044350 347236392 /nfs/dbraw/zinc/23/63/92/347236392.db2.gz BLRRTVVCDJGEGZ-GKDVJIACSA-N 3 1 197.326 0.596 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C 622044652 347236406 /nfs/dbraw/zinc/23/64/06/347236406.db2.gz NYRMUITWSURMPG-VWYCJHECSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CC[NH2+]CC[C@@H]1C 622044649 347236410 /nfs/dbraw/zinc/23/64/10/347236410.db2.gz NYRMUITWSURMPG-DCAQKATOSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 622044661 347236427 /nfs/dbraw/zinc/23/64/27/347236427.db2.gz OORVLAXXFUTQCJ-IVZWLZJFSA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccncn1 622044399 347236468 /nfs/dbraw/zinc/23/64/68/347236468.db2.gz DJDHATPIYQHSTQ-IUCAKERBSA-N 2 1 194.282 0.865 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C 622044650 347236496 /nfs/dbraw/zinc/23/64/96/347236496.db2.gz NYRMUITWSURMPG-GARJFASQSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C 622044651 347236515 /nfs/dbraw/zinc/23/65/15/347236515.db2.gz NYRMUITWSURMPG-OUAUKWLOSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 622044662 347236572 /nfs/dbraw/zinc/23/65/72/347236572.db2.gz OORVLAXXFUTQCJ-LPEHRKFASA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 622044659 347236588 /nfs/dbraw/zinc/23/65/88/347236588.db2.gz OORVLAXXFUTQCJ-AEJSXWLSSA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccn(C)n1 622044470 347236620 /nfs/dbraw/zinc/23/66/20/347236620.db2.gz HGLJZCZFSNEYDQ-IUCAKERBSA-N 2 1 196.298 0.808 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)c1ccncn1 622044398 347236662 /nfs/dbraw/zinc/23/66/62/347236662.db2.gz DJDHATPIYQHSTQ-DTWKUNHWSA-N 2 1 194.282 0.865 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 622044798 347237304 /nfs/dbraw/zinc/23/73/04/347237304.db2.gz SUKYXBFIGLMZSX-AXFHLTTASA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 622044976 347237340 /nfs/dbraw/zinc/23/73/40/347237340.db2.gz ZBZDJHOIOJDWGM-AEJSXWLSSA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 622044801 347237354 /nfs/dbraw/zinc/23/73/54/347237354.db2.gz SUKYXBFIGLMZSX-HBNTYKKESA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)C[C@@H](C)[NH3+] 622044924 347237396 /nfs/dbraw/zinc/23/73/96/347237396.db2.gz XXIZXPZPMXONJH-DJLDLDEBSA-N 3 1 173.304 0.439 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@@H](C)[NH3+] 622044926 347237423 /nfs/dbraw/zinc/23/74/23/347237423.db2.gz XXIZXPZPMXONJH-YIZRAAEISA-N 3 1 173.304 0.439 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCn2ccnc21 622044785 347237489 /nfs/dbraw/zinc/23/74/89/347237489.db2.gz SNPMILAEWABLLZ-DTWKUNHWSA-N 2 1 194.282 0.655 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)C[C@H](C)[NH3+] 622044923 347237461 /nfs/dbraw/zinc/23/74/61/347237461.db2.gz XXIZXPZPMXONJH-CIUDSAMLSA-N 3 1 173.304 0.439 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)C[C@H](C)[NH3+] 622044925 347237536 /nfs/dbraw/zinc/23/75/36/347237536.db2.gz XXIZXPZPMXONJH-XHNCKOQMSA-N 3 1 173.304 0.439 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCC[C@H]1C[NH3+] 622044977 347237542 /nfs/dbraw/zinc/23/75/42/347237542.db2.gz ZBZDJHOIOJDWGM-GUBZILKMSA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 622044979 347237725 /nfs/dbraw/zinc/23/77/25/347237725.db2.gz ZBZDJHOIOJDWGM-LPEHRKFASA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCn2ccnc21 622044786 347237747 /nfs/dbraw/zinc/23/77/47/347237747.db2.gz SNPMILAEWABLLZ-IUCAKERBSA-N 2 1 194.282 0.655 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] 622044800 347237757 /nfs/dbraw/zinc/23/77/57/347237757.db2.gz SUKYXBFIGLMZSX-GARJFASQSA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCCC[C@H]1C[NH3+] 622044799 347237764 /nfs/dbraw/zinc/23/77/64/347237764.db2.gz SUKYXBFIGLMZSX-DCAQKATOSA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 622044978 347237777 /nfs/dbraw/zinc/23/77/77/347237777.db2.gz ZBZDJHOIOJDWGM-IVZWLZJFSA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1nccn1C 622045377 347238389 /nfs/dbraw/zinc/23/83/89/347238389.db2.gz QDYHUIBWMVWFKC-IUCAKERBSA-N 2 1 196.298 0.808 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)c1nccn1C 622045376 347238751 /nfs/dbraw/zinc/23/87/51/347238751.db2.gz QDYHUIBWMVWFKC-DTWKUNHWSA-N 2 1 196.298 0.808 20 0 ACADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 622045745 347239085 /nfs/dbraw/zinc/23/90/85/347239085.db2.gz ULNODCGVGMKPRH-AXFHLTTASA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H]([NH3+])CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 622045746 347239376 /nfs/dbraw/zinc/23/93/76/347239376.db2.gz ULNODCGVGMKPRH-DCAQKATOSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@H](C)c1cnccn1 622045764 347239417 /nfs/dbraw/zinc/23/94/17/347239417.db2.gz WOXHUQVWIZFAQR-DTWKUNHWSA-N 2 1 194.282 0.865 20 0 ACADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 622045748 347239429 /nfs/dbraw/zinc/23/94/29/347239429.db2.gz ULNODCGVGMKPRH-HBNTYKKESA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cnccn1 622045765 347239518 /nfs/dbraw/zinc/23/95/18/347239518.db2.gz WOXHUQVWIZFAQR-IUCAKERBSA-N 2 1 194.282 0.865 20 0 ACADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C1 623807136 347265115 /nfs/dbraw/zinc/26/51/15/347265115.db2.gz TWHYVCHXANYXTM-XYPYZODXSA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H](NC[C@H]1CCC[N@H+]1C)C1C[NH2+]C1 629517971 347344903 /nfs/dbraw/zinc/34/49/03/347344903.db2.gz CBVJKQMCAJAVIP-GXSJLCMTSA-N 2 1 197.326 0.278 20 0 ACADMP C[C@H]([NH2+]C[C@H]1CCCN1C)C1C[NH2+]C1 629517971 347344907 /nfs/dbraw/zinc/34/49/07/347344907.db2.gz CBVJKQMCAJAVIP-GXSJLCMTSA-N 2 1 197.326 0.278 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CCCN1C 629518848 347344936 /nfs/dbraw/zinc/34/49/36/347344936.db2.gz MERFNVDFOVWEFP-HBNTYKKESA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)NC[C@H]1CCC[N@H+]1C 629518847 347344953 /nfs/dbraw/zinc/34/49/53/347344953.db2.gz MERFNVDFOVWEFP-GMTAPVOTSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C[C@H]1CCCN1C 629518847 347344955 /nfs/dbraw/zinc/34/49/55/347344955.db2.gz MERFNVDFOVWEFP-GMTAPVOTSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])NC[C@H]1CCC[N@H+]1C 629518849 347345096 /nfs/dbraw/zinc/34/50/96/347345096.db2.gz MERFNVDFOVWEFP-OUAUKWLOSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C[C@H]1CCCN1C 629518849 347345098 /nfs/dbraw/zinc/34/50/98/347345098.db2.gz MERFNVDFOVWEFP-OUAUKWLOSA-N 2 1 199.342 0.796 20 0 ACADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] 629519342 347345106 /nfs/dbraw/zinc/34/51/06/347345106.db2.gz PFOFFWXGKDTJKM-GMTAPVOTSA-N 2 1 197.326 0.550 20 0 ACADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[NH3+] 629519342 347345109 /nfs/dbraw/zinc/34/51/09/347345109.db2.gz PFOFFWXGKDTJKM-GMTAPVOTSA-N 2 1 197.326 0.550 20 0 ACADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)C1C[NH2+]C1 629517972 347345151 /nfs/dbraw/zinc/34/51/51/347345151.db2.gz CBVJKQMCAJAVIP-MWLCHTKSSA-N 2 1 197.326 0.278 20 0 ACADMP C[C@@H]([NH2+]C[C@H]1CCCN1C)C1C[NH2+]C1 629517972 347345154 /nfs/dbraw/zinc/34/51/54/347345154.db2.gz CBVJKQMCAJAVIP-MWLCHTKSSA-N 2 1 197.326 0.278 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[N@H+]1C 629518846 347345245 /nfs/dbraw/zinc/34/52/45/347345245.db2.gz MERFNVDFOVWEFP-GARJFASQSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCCN1C 629518846 347345250 /nfs/dbraw/zinc/34/52/50/347345250.db2.gz MERFNVDFOVWEFP-GARJFASQSA-N 2 1 199.342 0.796 20 0 ACADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] 629519346 347345381 /nfs/dbraw/zinc/34/53/81/347345381.db2.gz PFOFFWXGKDTJKM-OUAUKWLOSA-N 2 1 197.326 0.550 20 0 ACADMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] 629519346 347345385 /nfs/dbraw/zinc/34/53/85/347345385.db2.gz PFOFFWXGKDTJKM-OUAUKWLOSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] 629519347 347345429 /nfs/dbraw/zinc/34/54/29/347345429.db2.gz PFOFFWXGKDTJKM-VWYCJHECSA-N 2 1 197.326 0.550 20 0 ACADMP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1[NH3+] 629519347 347345432 /nfs/dbraw/zinc/34/54/32/347345432.db2.gz PFOFFWXGKDTJKM-VWYCJHECSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] 629519344 347345581 /nfs/dbraw/zinc/34/55/81/347345581.db2.gz PFOFFWXGKDTJKM-MXWKQRLJSA-N 2 1 197.326 0.550 20 0 ACADMP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1[NH3+] 629519344 347345584 /nfs/dbraw/zinc/34/55/84/347345584.db2.gz PFOFFWXGKDTJKM-MXWKQRLJSA-N 2 1 197.326 0.550 20 0 ACADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629553057 347348539 /nfs/dbraw/zinc/34/85/39/347348539.db2.gz JOVQUSNDWUBJIB-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629553056 347348582 /nfs/dbraw/zinc/34/85/82/347348582.db2.gz JOVQUSNDWUBJIB-HBNTYKKESA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629553054 347349016 /nfs/dbraw/zinc/34/90/16/347349016.db2.gz JOVQUSNDWUBJIB-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 629553055 347349250 /nfs/dbraw/zinc/34/92/50/347349250.db2.gz JOVQUSNDWUBJIB-GMTAPVOTSA-N 2 1 198.310 0.896 20 0 ACADMP [NH3+]CC1CCC(N[C@@H]2CC[NH2+]C2)CC1 629555226 347349882 /nfs/dbraw/zinc/34/98/82/347349882.db2.gz SHSNZXXCPRQMNI-VQXHTEKXSA-N 2 1 197.326 0.455 20 0 ACADMP C[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C1 629555285 347349954 /nfs/dbraw/zinc/34/99/54/347349954.db2.gz UHFMRQXIKWGZFU-NXEZZACHSA-N 2 1 185.315 0.455 20 0 ACADMP CC[N@@H+](CCN)CC1CC[NH2+]CC1 629555097 347349991 /nfs/dbraw/zinc/34/99/91/347349991.db2.gz FODBBLAPHYBLKL-UHFFFAOYSA-N 2 1 185.315 0.267 20 0 ACADMP CCN(CC[NH3+])CC1CC[NH2+]CC1 629555097 347349994 /nfs/dbraw/zinc/34/99/94/347349994.db2.gz FODBBLAPHYBLKL-UHFFFAOYSA-N 2 1 185.315 0.267 20 0 ACADMP C[C@@H](CCCC[NH3+])N[C@@H]1CC[NH2+]C1 629555286 347350104 /nfs/dbraw/zinc/35/01/04/347350104.db2.gz UHFMRQXIKWGZFU-VHSXEESVSA-N 2 1 185.315 0.455 20 0 ACADMP C[C@H]([NH3+])C[NH+](C1CC1)C1CC1 629567860 347350402 /nfs/dbraw/zinc/35/04/02/347350402.db2.gz MZRGVDPFRVLJLH-ZETCQYMHSA-N 2 1 154.257 0.960 20 0 ACADMP CC[N@@H+](CCN)CCC1CC[NH2+]CC1 629558417 347350699 /nfs/dbraw/zinc/35/06/99/347350699.db2.gz ZQKARTZIWVYUKW-UHFFFAOYSA-N 2 1 199.342 0.657 20 0 ACADMP C[C@@H]([NH3+])C[NH+](C1CC1)C1CC1 629567858 347350642 /nfs/dbraw/zinc/35/06/42/347350642.db2.gz MZRGVDPFRVLJLH-SSDOTTSWSA-N 2 1 154.257 0.960 20 0 ACADMP CCN(CC[NH3+])CCC1CC[NH2+]CC1 629558417 347350703 /nfs/dbraw/zinc/35/07/03/347350703.db2.gz ZQKARTZIWVYUKW-UHFFFAOYSA-N 2 1 199.342 0.657 20 0 ACADMP CC[N@@H+](CCN)CC[C@@H]1CCC[NH2+]C1 629557930 347350782 /nfs/dbraw/zinc/35/07/82/347350782.db2.gz KCOKMLLMJOUCPX-NSHDSACASA-N 2 1 199.342 0.657 20 0 ACADMP CCN(CC[NH3+])CC[C@@H]1CCC[NH2+]C1 629557930 347350787 /nfs/dbraw/zinc/35/07/87/347350787.db2.gz KCOKMLLMJOUCPX-NSHDSACASA-N 2 1 199.342 0.657 20 0 ACADMP CC[N@@H+](CCN)CC[C@H]1CCC[NH2+]C1 629557929 347350828 /nfs/dbraw/zinc/35/08/28/347350828.db2.gz KCOKMLLMJOUCPX-LLVKDONJSA-N 2 1 199.342 0.657 20 0 ACADMP CCN(CC[NH3+])CC[C@H]1CCC[NH2+]C1 629557929 347350830 /nfs/dbraw/zinc/35/08/30/347350830.db2.gz KCOKMLLMJOUCPX-LLVKDONJSA-N 2 1 199.342 0.657 20 0 ACADMP CC[N@@H+](CCN)CC[C@@H]1CC[NH2+]C1 629558372 347350871 /nfs/dbraw/zinc/35/08/71/347350871.db2.gz YNHMBDMODMTUJB-JTQLQIEISA-N 2 1 185.315 0.267 20 0 ACADMP CCN(CC[NH3+])CC[C@@H]1CC[NH2+]C1 629558372 347350873 /nfs/dbraw/zinc/35/08/73/347350873.db2.gz YNHMBDMODMTUJB-JTQLQIEISA-N 2 1 185.315 0.267 20 0 ACADMP C[N@@H+](CCOCC[NH3+])Cc1ccno1 629578683 347351508 /nfs/dbraw/zinc/35/15/08/347351508.db2.gz LSJCVZOAZXVNIE-UHFFFAOYSA-N 2 1 199.254 0.082 20 0 ACADMP CC[N@@H+](CCN)CC[C@H]1CC[NH2+]C1 629558373 347351018 /nfs/dbraw/zinc/35/10/18/347351018.db2.gz YNHMBDMODMTUJB-SNVBAGLBSA-N 2 1 185.315 0.267 20 0 ACADMP CCN(CC[NH3+])CC[C@H]1CC[NH2+]C1 629558373 347351019 /nfs/dbraw/zinc/35/10/19/347351019.db2.gz YNHMBDMODMTUJB-SNVBAGLBSA-N 2 1 185.315 0.267 20 0 ACADMP C[N@H+](CCOCC[NH3+])Cc1ccno1 629578683 347351507 /nfs/dbraw/zinc/35/15/07/347351507.db2.gz LSJCVZOAZXVNIE-UHFFFAOYSA-N 2 1 199.254 0.082 20 0 ACADMP C[NH2+]CCOCC[N@@H+](C)CCCF 629571127 347351860 /nfs/dbraw/zinc/35/18/60/347351860.db2.gz QFXLTJQURDESBV-UHFFFAOYSA-N 2 1 192.278 0.514 20 0 ACADMP C[N@@H+](CCOCC[NH3+])CC1CC=CC1 629581191 347351970 /nfs/dbraw/zinc/35/19/70/347351970.db2.gz QSODRXUNHQMSAD-UHFFFAOYSA-N 2 1 198.310 0.860 20 0 ACADMP Cn1ccc(C[NH2+]CC2([NH3+])CCC2)c1 629648622 347353037 /nfs/dbraw/zinc/35/30/37/347353037.db2.gz XNRQJMNDKBNIGT-UHFFFAOYSA-N 2 1 193.294 0.996 20 0 ACADMP Cn1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 629648362 347353086 /nfs/dbraw/zinc/35/30/86/347353086.db2.gz UNDFUFUJYIGUAN-LLVKDONJSA-N 2 1 193.294 0.852 20 0 ACADMP Cn1ccc(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 629649201 347353095 /nfs/dbraw/zinc/35/30/95/347353095.db2.gz LYEHQGIMQLIVOJ-URLYPYJESA-N 2 1 191.278 0.333 20 0 ACADMP C1=C(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)COCC1 629648715 347353142 /nfs/dbraw/zinc/35/31/42/347353142.db2.gz AUQMJYOBFNQYAH-URLYPYJESA-N 2 1 194.278 0.141 20 0 ACADMP Cn1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 629648363 347353233 /nfs/dbraw/zinc/35/32/33/347353233.db2.gz UNDFUFUJYIGUAN-NSHDSACASA-N 2 1 193.294 0.852 20 0 ACADMP CC[C@H]([NH3+])C[NH2+]CC1=CCCOC1 629648921 347353313 /nfs/dbraw/zinc/35/33/13/347353313.db2.gz CRAZDTLRRPMPIT-JTQLQIEISA-N 2 1 184.283 0.660 20 0 ACADMP CC[C@@H]([NH3+])C[NH2+]CC1=CCCOC1 629648922 347353421 /nfs/dbraw/zinc/35/34/21/347353421.db2.gz CRAZDTLRRPMPIT-SNVBAGLBSA-N 2 1 184.283 0.660 20 0 ACADMP Cn1ccc(C[NH2+]CC(C)(C)[NH3+])c1 629648414 347353465 /nfs/dbraw/zinc/35/34/65/347353465.db2.gz VKKBNEMUIOVUGW-UHFFFAOYSA-N 2 1 181.283 0.852 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 629651174 347353843 /nfs/dbraw/zinc/35/38/43/347353843.db2.gz BQOMAKFWVNEQFM-JTQLQIEISA-N 2 1 196.294 0.614 20 0 ACADMP CC[N@@H+](CCN)C[C@@H]1CC[NH2+][C@@H](C)C1 629651266 347353830 /nfs/dbraw/zinc/35/38/30/347353830.db2.gz MZKHLYGPCYDOJG-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP CCN(CC[NH3+])C[C@@H]1CC[NH2+][C@@H](C)C1 629651266 347353833 /nfs/dbraw/zinc/35/38/33/347353833.db2.gz MZKHLYGPCYDOJG-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP CC[N@@H+](CCN)C[C@H]1CC[NH2+][C@H](C)C1 629651263 347353863 /nfs/dbraw/zinc/35/38/63/347353863.db2.gz MZKHLYGPCYDOJG-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP CCN(CC[NH3+])C[C@H]1CC[NH2+][C@H](C)C1 629651263 347353864 /nfs/dbraw/zinc/35/38/64/347353864.db2.gz MZKHLYGPCYDOJG-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP CC[C@H]([NH3+])C[NH2+]Cc1ccn(C)c1 629649333 347353890 /nfs/dbraw/zinc/35/38/90/347353890.db2.gz PXLWUSKPYGKPQI-JTQLQIEISA-N 2 1 181.283 0.852 20 0 ACADMP Cn1ccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 629652353 347353939 /nfs/dbraw/zinc/35/39/39/347353939.db2.gz AUNJEAISQVXECV-LLVKDONJSA-N 2 1 193.294 0.852 20 0 ACADMP Cn1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 629651946 347353969 /nfs/dbraw/zinc/35/39/69/347353969.db2.gz QLHKBVQDSFCESK-SNVBAGLBSA-N 2 1 193.294 0.806 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC2=CCCOC2)C1 629651176 347354007 /nfs/dbraw/zinc/35/40/07/347354007.db2.gz BQOMAKFWVNEQFM-SNVBAGLBSA-N 2 1 196.294 0.614 20 0 ACADMP CC[N@@H+](CCN)C[C@@H]1CC[NH2+][C@H](C)C1 629651262 347354060 /nfs/dbraw/zinc/35/40/60/347354060.db2.gz MZKHLYGPCYDOJG-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP CCN(CC[NH3+])C[C@@H]1CC[NH2+][C@H](C)C1 629651262 347354062 /nfs/dbraw/zinc/35/40/62/347354062.db2.gz MZKHLYGPCYDOJG-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccn(C)c1 629649334 347354068 /nfs/dbraw/zinc/35/40/68/347354068.db2.gz PXLWUSKPYGKPQI-SNVBAGLBSA-N 2 1 181.283 0.852 20 0 ACADMP CC[N@@H+](CCN)C[C@H]1CC[NH2+][C@@H](C)C1 629651265 347354113 /nfs/dbraw/zinc/35/41/13/347354113.db2.gz MZKHLYGPCYDOJG-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP CCN(CC[NH3+])C[C@H]1CC[NH2+][C@@H](C)C1 629651265 347354114 /nfs/dbraw/zinc/35/41/14/347354114.db2.gz MZKHLYGPCYDOJG-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP Cn1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 629652354 347354127 /nfs/dbraw/zinc/35/41/27/347354127.db2.gz AUNJEAISQVXECV-NSHDSACASA-N 2 1 193.294 0.852 20 0 ACADMP Cn1ccc(C[N@@H+](C)CCC[NH3+])c1 629651925 347354151 /nfs/dbraw/zinc/35/41/51/347354151.db2.gz PCZZMNIQYKQRFA-UHFFFAOYSA-N 2 1 181.283 0.806 20 0 ACADMP Cn1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 629651945 347354213 /nfs/dbraw/zinc/35/42/13/347354213.db2.gz QLHKBVQDSFCESK-JTQLQIEISA-N 2 1 193.294 0.806 20 0 ACADMP C[C@H](C[NH3+])[NH2+]Cc1ccn(C)c1 629649363 347354319 /nfs/dbraw/zinc/35/43/19/347354319.db2.gz RFTIJVNYRLUGFO-MRVPVSSYSA-N 2 1 167.256 0.462 20 0 ACADMP C[N@@H+](CC1=CCCOC1)C1CC([NH3+])C1 629655938 347354906 /nfs/dbraw/zinc/35/49/06/347354906.db2.gz YLHCVRDSVHRPKE-UHFFFAOYSA-N 2 1 196.294 0.755 20 0 ACADMP [NH3+]C[C@@H]([NH2+]CC1=CCCOC1)C1CC1 629653853 347355045 /nfs/dbraw/zinc/35/50/45/347355045.db2.gz LCKUJFSJWPADAQ-LLVKDONJSA-N 2 1 196.294 0.660 20 0 ACADMP [NH3+]C[C@H]([NH2+]CC1=CCCOC1)C1CC1 629653854 347355107 /nfs/dbraw/zinc/35/51/07/347355107.db2.gz LCKUJFSJWPADAQ-NSHDSACASA-N 2 1 196.294 0.660 20 0 ACADMP C[N@@H+](CCOCC[NH3+])CC1(C)CC1 629661556 347355174 /nfs/dbraw/zinc/35/51/74/347355174.db2.gz BUAMJTCEDDZVPA-UHFFFAOYSA-N 2 1 186.299 0.694 20 0 ACADMP C[C@H]1C[C@H](CN[C@@H]2CC[NH2+]C2)CC[NH2+]1 629673954 347355642 /nfs/dbraw/zinc/35/56/42/347355642.db2.gz RCTOZCZDLKYCEA-HBNTYKKESA-N 2 1 197.326 0.326 20 0 ACADMP C[C@@H]1C[C@H](CN[C@@H]2CC[NH2+]C2)CC[NH2+]1 629673953 347355742 /nfs/dbraw/zinc/35/57/42/347355742.db2.gz RCTOZCZDLKYCEA-GMTAPVOTSA-N 2 1 197.326 0.326 20 0 ACADMP C[C@H]1C[C@@H](CN[C@@H]2CC[NH2+]C2)CC[NH2+]1 629673952 347355761 /nfs/dbraw/zinc/35/57/61/347355761.db2.gz RCTOZCZDLKYCEA-GARJFASQSA-N 2 1 197.326 0.326 20 0 ACADMP C[C@@H]1C[C@@H](CN[C@@H]2CC[NH2+]C2)CC[NH2+]1 629673955 347355797 /nfs/dbraw/zinc/35/57/97/347355797.db2.gz RCTOZCZDLKYCEA-OUAUKWLOSA-N 2 1 197.326 0.326 20 0 ACADMP Cc1ncc(C[NH2+]C2(C)COC2)n1C 630072358 347359160 /nfs/dbraw/zinc/35/91/60/347359160.db2.gz JXNFSCDEPRCPFK-UHFFFAOYSA-N 2 1 195.266 0.607 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)C[C@H]1[NH3+] 631827649 347387627 /nfs/dbraw/zinc/38/76/27/347387627.db2.gz SNSUKAUOWIYBIQ-CHWFTXMASA-N 2 1 198.310 0.690 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+](C)C1CC([NH3+])C1 631826473 347387678 /nfs/dbraw/zinc/38/76/78/347387678.db2.gz OGIDOJBXZSXOJZ-IZUQBHJASA-N 2 1 198.310 0.833 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@@H+](C)C1CC([NH3+])C1 631826475 347387751 /nfs/dbraw/zinc/38/77/51/347387751.db2.gz OGIDOJBXZSXOJZ-NKVNRFPTSA-N 2 1 198.310 0.833 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 631822922 347387916 /nfs/dbraw/zinc/38/79/16/347387916.db2.gz RXZXXFIMLKHRMH-BBBLOLIVSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 631822922 347387917 /nfs/dbraw/zinc/38/79/17/347387917.db2.gz RXZXXFIMLKHRMH-BBBLOLIVSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@@H+](C)C1CC([NH3+])C1 631826474 347388152 /nfs/dbraw/zinc/38/81/52/347388152.db2.gz OGIDOJBXZSXOJZ-MFQSTILNSA-N 2 1 198.310 0.833 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 631822923 347388182 /nfs/dbraw/zinc/38/81/82/347388182.db2.gz RXZXXFIMLKHRMH-UTLUCORTSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]1OCC[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 631822923 347388184 /nfs/dbraw/zinc/38/81/84/347388184.db2.gz RXZXXFIMLKHRMH-UTLUCORTSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1OCC[C@H]1C[N@@H+](C)C1CC([NH3+])C1 631826476 347388241 /nfs/dbraw/zinc/38/82/41/347388241.db2.gz OGIDOJBXZSXOJZ-SAAXCQNUSA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)O)C[C@H]1C[NH3+] 631837027 347388833 /nfs/dbraw/zinc/38/88/33/347388833.db2.gz LTFFYTPAZWVNAO-RKDXNWHRSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)O)C[C@H]1C[NH3+] 631837025 347389109 /nfs/dbraw/zinc/38/91/09/347389109.db2.gz LTFFYTPAZWVNAO-DTWKUNHWSA-N 2 1 186.299 0.284 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631837713 347389128 /nfs/dbraw/zinc/38/91/28/347389128.db2.gz WNALRSKSZRLHCG-KXUCPTDWSA-N 2 1 186.299 0.548 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)O)C[C@@H]1C[NH3+] 631837024 347389242 /nfs/dbraw/zinc/38/92/42/347389242.db2.gz LTFFYTPAZWVNAO-BDAKNGLRSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)O)C[C@@H]1C[NH3+] 631837026 347389281 /nfs/dbraw/zinc/38/92/81/347389281.db2.gz LTFFYTPAZWVNAO-IUCAKERBSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1C[NH3+] 631838136 347390304 /nfs/dbraw/zinc/39/03/04/347390304.db2.gz JJJIQODSEBARRU-GMTAPVOTSA-N 2 1 198.310 0.550 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1C[NH3+] 631838138 347390376 /nfs/dbraw/zinc/39/03/76/347390376.db2.gz JJJIQODSEBARRU-OUAUKWLOSA-N 2 1 198.310 0.550 20 0 ACADMP C[C@@H]1C[N@H+](Cc2ccno2)C[C@H]1C[NH3+] 631839567 347390494 /nfs/dbraw/zinc/39/04/94/347390494.db2.gz HTTZBJYIBJDEKK-RKDXNWHRSA-N 2 1 195.266 0.701 20 0 ACADMP C[C@@H]1C[N@@H+](Cc2ccno2)C[C@H]1C[NH3+] 631839567 347390496 /nfs/dbraw/zinc/39/04/96/347390496.db2.gz HTTZBJYIBJDEKK-RKDXNWHRSA-N 2 1 195.266 0.701 20 0 ACADMP C[C@@H]1C[C@H](N)C[N@H+]1CC1CC[NH2+]CC1 631856343 347391714 /nfs/dbraw/zinc/39/17/14/347391714.db2.gz ICFJFAUWAWAZHY-KOLCDFICSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CC[NH2+]CC1 631856343 347391717 /nfs/dbraw/zinc/39/17/17/347391717.db2.gz ICFJFAUWAWAZHY-KOLCDFICSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CC[NH2+]CC1 631856343 347391721 /nfs/dbraw/zinc/39/17/21/347391721.db2.gz ICFJFAUWAWAZHY-KOLCDFICSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H](N)C[N@H+]1CC1CC[NH2+]CC1 631856342 347391832 /nfs/dbraw/zinc/39/18/32/347391832.db2.gz ICFJFAUWAWAZHY-GXSJLCMTSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CC[NH2+]CC1 631856342 347391837 /nfs/dbraw/zinc/39/18/37/347391837.db2.gz ICFJFAUWAWAZHY-GXSJLCMTSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CC[NH2+]CC1 631856342 347391840 /nfs/dbraw/zinc/39/18/40/347391840.db2.gz ICFJFAUWAWAZHY-GXSJLCMTSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](N)C[N@H+]1CC1CC[NH2+]CC1 631856344 347391995 /nfs/dbraw/zinc/39/19/95/347391995.db2.gz ICFJFAUWAWAZHY-MWLCHTKSSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CC[NH2+]CC1 631856344 347391998 /nfs/dbraw/zinc/39/19/98/347391998.db2.gz ICFJFAUWAWAZHY-MWLCHTKSSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CC[NH2+]CC1 631856344 347392000 /nfs/dbraw/zinc/39/20/00/347392000.db2.gz ICFJFAUWAWAZHY-MWLCHTKSSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](N)C[N@H+]1CC[C@@H]1CC[NH2+]C1 631861404 347392254 /nfs/dbraw/zinc/39/22/54/347392254.db2.gz ASHDMQDKMWMUJV-VWYCJHECSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1CC[NH2+]C1 631861404 347392260 /nfs/dbraw/zinc/39/22/60/347392260.db2.gz ASHDMQDKMWMUJV-VWYCJHECSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1CC[NH2+]C1 631861404 347392261 /nfs/dbraw/zinc/39/22/61/347392261.db2.gz ASHDMQDKMWMUJV-VWYCJHECSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 631862623 347392501 /nfs/dbraw/zinc/39/25/01/347392501.db2.gz RQYXCDFUHLSQIT-UKKRHICBSA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 631862623 347392504 /nfs/dbraw/zinc/39/25/04/347392504.db2.gz RQYXCDFUHLSQIT-UKKRHICBSA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 631862620 347392632 /nfs/dbraw/zinc/39/26/32/347392632.db2.gz RQYXCDFUHLSQIT-LMLFDSFASA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@H]([NH3+])C[C@H]1C 631862620 347392638 /nfs/dbraw/zinc/39/26/38/347392638.db2.gz RQYXCDFUHLSQIT-LMLFDSFASA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1C[C@@H](N)C[N@H+]1CC[C@@H]1CC[NH2+]C1 631861403 347392748 /nfs/dbraw/zinc/39/27/48/347392748.db2.gz ASHDMQDKMWMUJV-OUAUKWLOSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1CC[NH2+]C1 631861403 347392753 /nfs/dbraw/zinc/39/27/53/347392753.db2.gz ASHDMQDKMWMUJV-OUAUKWLOSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1CC[NH2+]C1 631861403 347392754 /nfs/dbraw/zinc/39/27/54/347392754.db2.gz ASHDMQDKMWMUJV-OUAUKWLOSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](N)C[N@H+]1CC[C@H]1CC[NH2+]C1 631861401 347392794 /nfs/dbraw/zinc/39/27/94/347392794.db2.gz ASHDMQDKMWMUJV-GMTAPVOTSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@H]1CC[NH2+]C1 631861401 347392798 /nfs/dbraw/zinc/39/27/98/347392798.db2.gz ASHDMQDKMWMUJV-GMTAPVOTSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@H]1CC[NH2+]C1 631861401 347392802 /nfs/dbraw/zinc/39/28/02/347392802.db2.gz ASHDMQDKMWMUJV-GMTAPVOTSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](N)C[N@H+]1CC[C@H]1CC[NH2+]C1 631861402 347392810 /nfs/dbraw/zinc/39/28/10/347392810.db2.gz ASHDMQDKMWMUJV-MXWKQRLJSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@H]1CC[NH2+]C1 631861402 347392814 /nfs/dbraw/zinc/39/28/14/347392814.db2.gz ASHDMQDKMWMUJV-MXWKQRLJSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@H]1CC[NH2+]C1 631861402 347392815 /nfs/dbraw/zinc/39/28/15/347392815.db2.gz ASHDMQDKMWMUJV-MXWKQRLJSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 631862622 347392879 /nfs/dbraw/zinc/39/28/79/347392879.db2.gz RQYXCDFUHLSQIT-MMWGEVLESA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 631862622 347392882 /nfs/dbraw/zinc/39/28/82/347392882.db2.gz RQYXCDFUHLSQIT-MMWGEVLESA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 631862625 347392939 /nfs/dbraw/zinc/39/29/39/347392939.db2.gz RQYXCDFUHLSQIT-YTWAJWBKSA-N 2 1 198.310 0.833 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 631862625 347392942 /nfs/dbraw/zinc/39/29/42/347392942.db2.gz RQYXCDFUHLSQIT-YTWAJWBKSA-N 2 1 198.310 0.833 20 0 ACADMP C1C[C@H](C[N@@H+]2C[C@H]3COC[C@H]3C2)C[NH2+]1 634688289 347426058 /nfs/dbraw/zinc/42/60/58/347426058.db2.gz NWWOSVZHWDDVOH-GARJFASQSA-N 2 1 196.294 0.174 20 0 ACADMP C1C[C@@H](C[N@@H+]2C[C@H]3COC[C@H]3C2)C[NH2+]1 634688290 347426149 /nfs/dbraw/zinc/42/61/49/347426149.db2.gz NWWOSVZHWDDVOH-MXWKQRLJSA-N 2 1 196.294 0.174 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@H]2COC[C@H]2C1 634687878 347426173 /nfs/dbraw/zinc/42/61/73/347426173.db2.gz BSZOAXYTKINUIX-AOOOYVTPSA-N 2 1 184.283 0.174 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1C[C@H]2COC[C@H]2C1 634735875 347426939 /nfs/dbraw/zinc/42/69/39/347426939.db2.gz TWHOUOUPBBTFSG-DTORHVGOSA-N 2 1 184.283 0.302 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@H](C[NH3+])C1 634991145 347431871 /nfs/dbraw/zinc/43/18/71/347431871.db2.gz RPNRTHNLZDPUPU-MNOVXSKESA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@H](C[NH3+])C1 634991145 347431874 /nfs/dbraw/zinc/43/18/74/347431874.db2.gz RPNRTHNLZDPUPU-MNOVXSKESA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H](C[NH3+])C1 634991144 347431957 /nfs/dbraw/zinc/43/19/57/347431957.db2.gz RPNRTHNLZDPUPU-GHMZBOCLSA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C[NH3+])C1 634991144 347431960 /nfs/dbraw/zinc/43/19/60/347431960.db2.gz RPNRTHNLZDPUPU-GHMZBOCLSA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H](C[NH3+])C1 634991147 347432123 /nfs/dbraw/zinc/43/21/23/347432123.db2.gz RPNRTHNLZDPUPU-WDEREUQCSA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C[NH3+])C1 634991147 347432125 /nfs/dbraw/zinc/43/21/25/347432125.db2.gz RPNRTHNLZDPUPU-WDEREUQCSA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[N@@H+]1CC[C@@H](C[NH3+])C1 634991146 347432191 /nfs/dbraw/zinc/43/21/91/347432191.db2.gz RPNRTHNLZDPUPU-QWRGUYRKSA-N 3 1 199.342 0.498 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[N@H+]1CC[C@@H](C[NH3+])C1 634991146 347432194 /nfs/dbraw/zinc/43/21/94/347432194.db2.gz RPNRTHNLZDPUPU-QWRGUYRKSA-N 3 1 199.342 0.498 20 0 ACADMP C[NH2+]CCC[NH2+]C[C@H](C[NH3+])C(C)C 634995000 347433575 /nfs/dbraw/zinc/43/35/75/347433575.db2.gz RQYKUTSEVSUFBW-JTQLQIEISA-N 3 1 187.331 0.416 20 0 ACADMP C[NH2+]CCC[NH2+]C[C@@H](C[NH3+])C(C)C 634995001 347433612 /nfs/dbraw/zinc/43/36/12/347433612.db2.gz RQYKUTSEVSUFBW-SNVBAGLBSA-N 3 1 187.331 0.416 20 0 ACADMP CC(C)[C@H](C[NH3+])C[NH2+]C1CC[NH2+]CC1 634994426 347433819 /nfs/dbraw/zinc/43/38/19/347433819.db2.gz CLMTXBZDFOTZHD-SNVBAGLBSA-N 3 1 199.342 0.559 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[NH2+]C1CC[NH2+]CC1 634994425 347433890 /nfs/dbraw/zinc/43/38/90/347433890.db2.gz CLMTXBZDFOTZHD-JTQLQIEISA-N 3 1 199.342 0.559 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@@H](C)C[NH3+] 634996050 347435074 /nfs/dbraw/zinc/43/50/74/347435074.db2.gz YAZKMSGRTLOBPU-UWVGGRQHSA-N 3 1 187.331 0.402 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@H](C)CC[NH3+] 634995851 347435149 /nfs/dbraw/zinc/43/51/49/347435149.db2.gz QUJCXGCCVPABIL-ZJUUUORDSA-N 3 1 187.331 0.544 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[NH2+][C@@H](C)CC[NH3+] 634995849 347435188 /nfs/dbraw/zinc/43/51/88/347435188.db2.gz QUJCXGCCVPABIL-UWVGGRQHSA-N 3 1 187.331 0.544 20 0 ACADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@@H](C)C[NH3+] 634996051 347435195 /nfs/dbraw/zinc/43/51/95/347435195.db2.gz YAZKMSGRTLOBPU-VHSXEESVSA-N 3 1 187.331 0.402 20 0 ACADMP CC(C)[C@H](C[NH3+])C[NH2+]C[C@H](C)C[NH3+] 634996049 347435235 /nfs/dbraw/zinc/43/52/35/347435235.db2.gz YAZKMSGRTLOBPU-NXEZZACHSA-N 3 1 187.331 0.402 20 0 ACADMP CC(C)[C@H](C[NH3+])C[NH2+][C@H](C)CC[NH3+] 634995848 347435355 /nfs/dbraw/zinc/43/53/55/347435355.db2.gz QUJCXGCCVPABIL-NXEZZACHSA-N 3 1 187.331 0.544 20 0 ACADMP CC(C)[C@H](C[NH3+])C[NH2+][C@@H](C)CC[NH3+] 634995850 347435417 /nfs/dbraw/zinc/43/54/17/347435417.db2.gz QUJCXGCCVPABIL-VHSXEESVSA-N 3 1 187.331 0.544 20 0 ACADMP C[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] 634998727 347435588 /nfs/dbraw/zinc/43/55/88/347435588.db2.gz JVZKHNRGRLYIQS-RKDXNWHRSA-N 2 1 194.282 0.436 20 0 ACADMP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H]1C[NH3+] 634998727 347435589 /nfs/dbraw/zinc/43/55/89/347435589.db2.gz JVZKHNRGRLYIQS-RKDXNWHRSA-N 2 1 194.282 0.436 20 0 ACADMP CC(C)[C@@H](C[NH3+])C[NH2+]C[C@H](C)C[NH3+] 634996052 347435649 /nfs/dbraw/zinc/43/56/49/347435649.db2.gz YAZKMSGRTLOBPU-ZJUUUORDSA-N 3 1 187.331 0.402 20 0 ACADMP CCC[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C1 635006442 347436095 /nfs/dbraw/zinc/43/60/95/347436095.db2.gz YJRQCTFFEVQUHI-VHSXEESVSA-N 2 1 186.299 0.489 20 0 ACADMP CCC[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C1 635006441 347436424 /nfs/dbraw/zinc/43/64/24/347436424.db2.gz YJRQCTFFEVQUHI-UWVGGRQHSA-N 2 1 186.299 0.489 20 0 ACADMP CCC[C@H](CCO)[NH2+][C@H]1CC[NH2+]C1 635006443 347436582 /nfs/dbraw/zinc/43/65/82/347436582.db2.gz YJRQCTFFEVQUHI-ZJUUUORDSA-N 2 1 186.299 0.489 20 0 ACADMP CCC[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C1 635006425 347436645 /nfs/dbraw/zinc/43/66/45/347436645.db2.gz YJRQCTFFEVQUHI-NXEZZACHSA-N 2 1 186.299 0.489 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1C 639239893 347507154 /nfs/dbraw/zinc/50/71/54/347507154.db2.gz GUHQTCXPTMCWHX-YTWAJWBKSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1C 639239893 347507156 /nfs/dbraw/zinc/50/71/56/347507156.db2.gz GUHQTCXPTMCWHX-YTWAJWBKSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1C 639239891 347507213 /nfs/dbraw/zinc/50/72/13/347507213.db2.gz GUHQTCXPTMCWHX-DBIOUOCHSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1C 639239891 347507215 /nfs/dbraw/zinc/50/72/15/347507215.db2.gz GUHQTCXPTMCWHX-DBIOUOCHSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1C 639239892 347507364 /nfs/dbraw/zinc/50/73/64/347507364.db2.gz GUHQTCXPTMCWHX-XWLWVQCSSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1C 639239892 347507366 /nfs/dbraw/zinc/50/73/66/347507366.db2.gz GUHQTCXPTMCWHX-XWLWVQCSSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@@H+]1C 639239894 347507370 /nfs/dbraw/zinc/50/73/70/347507370.db2.gz GUHQTCXPTMCWHX-ZRUFSTJUSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)CC[N@H+]1C 639239894 347507374 /nfs/dbraw/zinc/50/73/74/347507374.db2.gz GUHQTCXPTMCWHX-ZRUFSTJUSA-N 2 1 198.310 0.582 20 0 ACADMP CC(=O)C[N@@H+](C)CCCn1ccnc1 639551781 347523164 /nfs/dbraw/zinc/52/31/64/347523164.db2.gz OINWRCAJZUSAGW-UHFFFAOYSA-N 2 1 195.266 0.794 20 0 ACADMP C[N@H+](CCc1cn[nH]c1)CC(C)(C)[NH3+] 641823571 347585810 /nfs/dbraw/zinc/58/58/10/347585810.db2.gz SAEZNHXJBUKUPR-UHFFFAOYSA-N 2 1 196.298 0.621 20 0 ACADMP C[N@@H+](CCc1cn[nH]c1)CC(C)(C)[NH3+] 641823571 347585811 /nfs/dbraw/zinc/58/58/11/347585811.db2.gz SAEZNHXJBUKUPR-UHFFFAOYSA-N 2 1 196.298 0.621 20 0 ACADMP CC[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 11885748 351361979 /nfs/dbraw/zinc/36/19/79/351361979.db2.gz HTNAVRGLXJMJFN-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP CC[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 11885748 351361980 /nfs/dbraw/zinc/36/19/80/351361980.db2.gz HTNAVRGLXJMJFN-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCO1 19471967 351391517 /nfs/dbraw/zinc/39/15/17/351391517.db2.gz JQTZMNYEVFZYSZ-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP CC[C@@H](C)[C@@H]([NH3+])C[NH+](C)C 20074034 351400023 /nfs/dbraw/zinc/40/00/23/351400023.db2.gz YIAXVAOPTYKGNW-SFYZADRCSA-N 2 1 144.262 0.921 20 0 ACADMP CC[C@@H](C)[C@H]([NH3+])C[NH+](C)C 20074039 351400356 /nfs/dbraw/zinc/40/03/56/351400356.db2.gz YIAXVAOPTYKGNW-HTQZYQBOSA-N 2 1 144.262 0.921 20 0 ACADMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1C 22943629 351414461 /nfs/dbraw/zinc/41/44/61/351414461.db2.gz RPMVELKOENZIBB-RITPCOANSA-N 2 1 114.192 0.038 20 0 ACADMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C 22943629 351414465 /nfs/dbraw/zinc/41/44/65/351414465.db2.gz RPMVELKOENZIBB-RITPCOANSA-N 2 1 114.192 0.038 20 0 ACADMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C 22943637 351414513 /nfs/dbraw/zinc/41/45/13/351414513.db2.gz RPMVELKOENZIBB-PHDIDXHHSA-N 2 1 114.192 0.038 20 0 ACADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C 22943637 351414515 /nfs/dbraw/zinc/41/45/15/351414515.db2.gz RPMVELKOENZIBB-PHDIDXHHSA-N 2 1 114.192 0.038 20 0 ACADMP CC[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 34679633 351444432 /nfs/dbraw/zinc/44/44/32/351444432.db2.gz HTNAVRGLXJMJFN-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP CC[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 34679633 351444435 /nfs/dbraw/zinc/44/44/35/351444435.db2.gz HTNAVRGLXJMJFN-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 35776936 351454095 /nfs/dbraw/zinc/45/40/95/351454095.db2.gz QAHOESLYJIUUGL-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[N@H+](CCC[NH3+])[C@H](C)CO1 35782995 351454210 /nfs/dbraw/zinc/45/42/10/351454210.db2.gz LLIDOIWHCJCBFJ-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@H](C)CO1 35782995 351454214 /nfs/dbraw/zinc/45/42/14/351454214.db2.gz LLIDOIWHCJCBFJ-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP CC(C)(O)C[N@H+]1CCC[NH2+]CC1 37692138 351471182 /nfs/dbraw/zinc/47/11/82/351471182.db2.gz HPCILEAHOLQLPA-UHFFFAOYSA-N 2 1 172.272 0.053 20 0 in-vitro ACADMP O[C@@H]1CCC[C@H]1[N@H+]1CCC[NH2+]CC1 37689483 351471349 /nfs/dbraw/zinc/47/13/49/351471349.db2.gz LLFAWNFRHCPMIU-NXEZZACHSA-N 2 1 184.283 0.195 20 0 ACADMP CC(C)C[C@H](C)[NH2+]CC[NH3+] 37712363 351473081 /nfs/dbraw/zinc/47/30/81/351473081.db2.gz JWWVRUCWQDICJC-QMMMGPOBSA-N 2 1 144.262 0.969 20 0 ACADMP CC(C)C[C@@H](C)[NH2+]CC[NH3+] 37712362 351473163 /nfs/dbraw/zinc/47/31/63/351473163.db2.gz JWWVRUCWQDICJC-MRVPVSSYSA-N 2 1 144.262 0.969 20 0 ACADMP C[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 37911242 351475227 /nfs/dbraw/zinc/47/52/27/351475227.db2.gz QBTHTPXBGUDRRR-LLVKDONJSA-N 2 1 197.326 0.376 20 0 ACADMP C[C@@H]1CC[N@@H+](CCC[NH3+])C1 40717018 351510918 /nfs/dbraw/zinc/51/09/18/351510918.db2.gz IPHJNMHOLSTWLX-MRVPVSSYSA-N 2 1 142.246 0.677 20 0 ACADMP CC(C)(O)C[N@@H+]1CCC[C@H]([NH3+])C1 41030058 351514202 /nfs/dbraw/zinc/51/42/02/351514202.db2.gz FQGKBJOTVHBKKH-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)(O)C[N@H+]1CCC[C@H]([NH3+])C1 41030058 351514207 /nfs/dbraw/zinc/51/42/07/351514207.db2.gz FQGKBJOTVHBKKH-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)(O)C[N@@H+]1CCC[C@@H]([NH3+])C1 41030059 351514340 /nfs/dbraw/zinc/51/43/40/351514340.db2.gz FQGKBJOTVHBKKH-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)(O)C[N@H+]1CCC[C@@H]([NH3+])C1 41030059 351514345 /nfs/dbraw/zinc/51/43/45/351514345.db2.gz FQGKBJOTVHBKKH-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)CC[N@@H+](C)C[C@H](O)C[NH3+] 42456785 351522766 /nfs/dbraw/zinc/52/27/66/351522766.db2.gz KDHNWFCRNBVXEB-SECBINFHSA-N 2 1 174.288 0.284 20 0 ACADMP C[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 42278932 351521429 /nfs/dbraw/zinc/52/14/29/351521429.db2.gz ZDVBGVVCMDGVQJ-LLVKDONJSA-N 2 1 197.326 0.233 20 0 ACADMP CC(C)CC[N@@H+](C)C[C@@H](O)C[NH3+] 42456787 351522066 /nfs/dbraw/zinc/52/20/66/351522066.db2.gz KDHNWFCRNBVXEB-VIFPVBQESA-N 2 1 174.288 0.284 20 0 ACADMP CC(C)(O)C[N@H+]1CCC[C@@H](C[NH3+])C1 44531495 351539787 /nfs/dbraw/zinc/53/97/87/351539787.db2.gz NNTWWRVWFKZSHH-VIFPVBQESA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)(O)C[N@H+]1CCC[C@H](C[NH3+])C1 44531493 351540038 /nfs/dbraw/zinc/54/00/38/351540038.db2.gz NNTWWRVWFKZSHH-SECBINFHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1C[N@H+](CCC[NH3+])CC(C)(C)O1 45664065 351543205 /nfs/dbraw/zinc/54/32/05/351543205.db2.gz WJXFMGHNHPVNCE-SECBINFHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[NH3+])CC(C)(C)O1 45664065 351543209 /nfs/dbraw/zinc/54/32/09/351543209.db2.gz WJXFMGHNHPVNCE-SECBINFHSA-N 2 1 186.299 0.835 20 0 ACADMP O[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 82703717 351641710 /nfs/dbraw/zinc/64/17/10/351641710.db2.gz BKFCTWDQAXSQOD-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP O[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 83574150 351646494 /nfs/dbraw/zinc/64/64/94/351646494.db2.gz BKFCTWDQAXSQOD-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CC[C@@H]1[NH3+] 86886188 351657623 /nfs/dbraw/zinc/65/76/23/351657623.db2.gz LQIDAPZLRVFNBR-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)O)CC[C@@H]1[NH3+] 86886192 351657774 /nfs/dbraw/zinc/65/77/74/351657774.db2.gz LQIDAPZLRVFNBR-IUCAKERBSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C)CC1 96033546 351678551 /nfs/dbraw/zinc/67/85/51/351678551.db2.gz QCWJBGNWGOXHDB-GXSJLCMTSA-N 2 1 198.310 0.848 20 0 ACADMP COCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 164642554 351765475 /nfs/dbraw/zinc/76/54/75/351765475.db2.gz AEABOVUBAVCYRO-UWVGGRQHSA-N 2 1 186.299 0.550 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](O)C1 107124013 351717753 /nfs/dbraw/zinc/71/77/53/351717753.db2.gz FGQKGJVYHVCJIK-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](O)C1 107124013 351717758 /nfs/dbraw/zinc/71/77/58/351717758.db2.gz FGQKGJVYHVCJIK-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](O)C1 107124016 351717808 /nfs/dbraw/zinc/71/78/08/351717808.db2.gz FGQKGJVYHVCJIK-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](O)C1 107124016 351717813 /nfs/dbraw/zinc/71/78/13/351717813.db2.gz FGQKGJVYHVCJIK-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CO)C1 107132275 351717952 /nfs/dbraw/zinc/71/79/52/351717952.db2.gz KFXITKUNVYLVND-SECBINFHSA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CO)C1 107132275 351717956 /nfs/dbraw/zinc/71/79/56/351717956.db2.gz KFXITKUNVYLVND-SECBINFHSA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CO)C1 107132271 351718023 /nfs/dbraw/zinc/71/80/23/351718023.db2.gz KFXITKUNVYLVND-VIFPVBQESA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CCC[C@H](CO)C1 107132271 351718028 /nfs/dbraw/zinc/71/80/28/351718028.db2.gz KFXITKUNVYLVND-VIFPVBQESA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)([NH3+])C[NH+]1CCC(CO)CC1 107132289 351718247 /nfs/dbraw/zinc/71/82/47/351718247.db2.gz GKZDINBGUCGMPL-UHFFFAOYSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1 108344036 351720855 /nfs/dbraw/zinc/72/08/55/351720855.db2.gz JBFNMXGQUACMOT-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1CN(CC2CC[NH2+]CC2)CC[NH2+]1 108344036 351720858 /nfs/dbraw/zinc/72/08/58/351720858.db2.gz JBFNMXGQUACMOT-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1 108344104 351720950 /nfs/dbraw/zinc/72/09/50/351720950.db2.gz PEXCGHVWEFTQSR-MNOVXSKESA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CC[NH2+]1 108344104 351720951 /nfs/dbraw/zinc/72/09/51/351720951.db2.gz PEXCGHVWEFTQSR-MNOVXSKESA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1CNCC[N@H+]1CC[C@@H]1CC[NH2+]C1 108344015 351721046 /nfs/dbraw/zinc/72/10/46/351721046.db2.gz GBGNLAUFMCFHNS-MNOVXSKESA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[NH2+]CCN1CC[C@@H]1CC[NH2+]C1 108344015 351721048 /nfs/dbraw/zinc/72/10/48/351721048.db2.gz GBGNLAUFMCFHNS-MNOVXSKESA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1CNCC[N@H+]1CC1CC[NH2+]CC1 108343953 351721204 /nfs/dbraw/zinc/72/12/04/351721204.db2.gz PQVZRWPEHFQVRL-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[NH2+]CCN1CC1CC[NH2+]CC1 108343953 351721205 /nfs/dbraw/zinc/72/12/05/351721205.db2.gz PQVZRWPEHFQVRL-SNVBAGLBSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccno1 122339262 351727567 /nfs/dbraw/zinc/72/75/67/351727567.db2.gz KKZLXVIUHXQVIW-RKDXNWHRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccno1 122339262 351727570 /nfs/dbraw/zinc/72/75/70/351727570.db2.gz KKZLXVIUHXQVIW-RKDXNWHRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccno1 122339684 351727924 /nfs/dbraw/zinc/72/79/24/351727924.db2.gz KKZLXVIUHXQVIW-BDAKNGLRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccno1 122339684 351727926 /nfs/dbraw/zinc/72/79/26/351727926.db2.gz KKZLXVIUHXQVIW-BDAKNGLRSA-N 2 1 195.266 0.844 20 0 ACADMP C[C@@H]1C[N@@H+](CCC[NH3+])CCS1 123260815 351728924 /nfs/dbraw/zinc/72/89/24/351728924.db2.gz UVOPBUVTZSYQSS-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(C)(C)O 126949832 351731578 /nfs/dbraw/zinc/73/15/78/351731578.db2.gz SLJDPTKKBAOKEG-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(C)(C)O 126949445 351731638 /nfs/dbraw/zinc/73/16/38/351731638.db2.gz SLJDPTKKBAOKEG-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP COCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 164642426 351765938 /nfs/dbraw/zinc/76/59/38/351765938.db2.gz AEABOVUBAVCYRO-ZJUUUORDSA-N 2 1 186.299 0.550 20 0 ACADMP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](OC)C1 234440526 351815213 /nfs/dbraw/zinc/81/52/13/351815213.db2.gz KAXMPXUXSCSNMG-MXWKQRLJSA-N 2 1 198.310 0.848 20 0 ACADMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 234440526 351815215 /nfs/dbraw/zinc/81/52/15/351815215.db2.gz KAXMPXUXSCSNMG-MXWKQRLJSA-N 2 1 198.310 0.848 20 0 ACADMP C[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 238354872 351820916 /nfs/dbraw/zinc/82/09/16/351820916.db2.gz HUJAYOROWVAELT-DTORHVGOSA-N 2 1 154.257 0.548 20 0 ACADMP CC[N@H+]1CCC[C@@H](N[C@H]2CC[NH2+]C2)C1 250224728 351831371 /nfs/dbraw/zinc/83/13/71/351831371.db2.gz FHFLGFMNRGDBSO-WDEREUQCSA-N 2 1 197.326 0.422 20 0 ACADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH2+]C2)C1 250224726 351831439 /nfs/dbraw/zinc/83/14/39/351831439.db2.gz FHFLGFMNRGDBSO-QWRGUYRKSA-N 2 1 197.326 0.422 20 0 ACADMP CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 250345360 351831889 /nfs/dbraw/zinc/83/18/89/351831889.db2.gz QJPWMYOOXIVHFE-YUMQZZPRSA-N 2 1 142.246 0.675 20 0 ACADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 250420020 351832266 /nfs/dbraw/zinc/83/22/66/351832266.db2.gz PDSPKHUGJPDDCW-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 250420015 351832292 /nfs/dbraw/zinc/83/22/92/351832292.db2.gz PDSPKHUGJPDDCW-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 251323635 351834418 /nfs/dbraw/zinc/83/44/18/351834418.db2.gz OKJLWCXRTNHKAL-WDEREUQCSA-N 2 1 198.310 0.443 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 251473697 351834865 /nfs/dbraw/zinc/83/48/65/351834865.db2.gz WBYDWPLBRRNQHB-WDEREUQCSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 251527299 351834901 /nfs/dbraw/zinc/83/49/01/351834901.db2.gz AEPWRUJBMZBOOL-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCO1 251527289 351834936 /nfs/dbraw/zinc/83/49/36/351834936.db2.gz AEPWRUJBMZBOOL-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 251644148 351835510 /nfs/dbraw/zinc/83/55/10/351835510.db2.gz GBGNLAUFMCFHNS-GHMZBOCLSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 251644148 351835513 /nfs/dbraw/zinc/83/55/13/351835513.db2.gz GBGNLAUFMCFHNS-GHMZBOCLSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 251661714 351835575 /nfs/dbraw/zinc/83/55/75/351835575.db2.gz GXHAWGDLQRGMNB-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[C@H]1CNCC[N@H+]1CC[C@H]1CC[NH2+]C1 251644150 351835628 /nfs/dbraw/zinc/83/56/28/351835628.db2.gz GBGNLAUFMCFHNS-WDEREUQCSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[NH2+]CCN1CC[C@H]1CC[NH2+]C1 251644150 351835633 /nfs/dbraw/zinc/83/56/33/351835633.db2.gz GBGNLAUFMCFHNS-WDEREUQCSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[N@@H+](CC(C)(C)O)CC[C@H]1[NH3+] 251757558 351836214 /nfs/dbraw/zinc/83/62/14/351836214.db2.gz LQIDAPZLRVFNBR-DTWKUNHWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CC[C@H]1[NH3+] 251757560 351836222 /nfs/dbraw/zinc/83/62/22/351836222.db2.gz LQIDAPZLRVFNBR-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1 251825551 351836593 /nfs/dbraw/zinc/83/65/93/351836593.db2.gz PEXCGHVWEFTQSR-GHMZBOCLSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC[NH2+]1 251825551 351836595 /nfs/dbraw/zinc/83/65/95/351836595.db2.gz PEXCGHVWEFTQSR-GHMZBOCLSA-N 2 1 197.326 0.280 20 0 ACADMP COCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251876056 351837494 /nfs/dbraw/zinc/83/74/94/351837494.db2.gz UKFAZMDFAPUDIN-RKDXNWHRSA-N 2 1 172.272 0.302 20 0 ACADMP CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 252698311 351841889 /nfs/dbraw/zinc/84/18/89/351841889.db2.gz MICJMLXGMQQEPG-SFYZADRCSA-N 2 1 142.246 0.675 20 0 ACADMP CC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 252698310 351841987 /nfs/dbraw/zinc/84/19/87/351841987.db2.gz MICJMLXGMQQEPG-HTQZYQBOSA-N 2 1 142.246 0.675 20 0 ACADMP CN(C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C)C1 259123335 351869817 /nfs/dbraw/zinc/86/98/17/351869817.db2.gz TWKWJSBHRJRGKE-LLVKDONJSA-N 2 1 197.326 0.374 20 0 ACADMP CN(C1CC[NH2+]CC1)[C@H]1CC[N@@H+](C)C1 259123339 351869874 /nfs/dbraw/zinc/86/98/74/351869874.db2.gz TWKWJSBHRJRGKE-NSHDSACASA-N 2 1 197.326 0.374 20 0 ACADMP C[NH+]1CCC([NH2+]C2CSC2)CC1 259800181 351879555 /nfs/dbraw/zinc/87/95/55/351879555.db2.gz RVEJELMQJSIVKB-UHFFFAOYSA-N 2 1 186.324 0.786 20 0 ACADMP C[C@@H]1C[N@H+](CCCF)C[C@H]1[NH3+] 300048927 351894893 /nfs/dbraw/zinc/89/48/93/351894893.db2.gz NVIIUDIFRZFUKH-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]1C[N@@H+](CCCF)C[C@H]1[NH3+] 300048927 351894895 /nfs/dbraw/zinc/89/48/95/351894895.db2.gz NVIIUDIFRZFUKH-HTQZYQBOSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1[NH3+] 300047435 351894961 /nfs/dbraw/zinc/89/49/61/351894961.db2.gz DNEUKUDICURRHM-VXNVDRBHSA-N 2 1 154.257 0.675 20 0 ACADMP CC(C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049213 351895183 /nfs/dbraw/zinc/89/51/83/351895183.db2.gz QKJAQYWUAJHLAC-RKDXNWHRSA-N 2 1 156.273 0.921 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306171621 351904556 /nfs/dbraw/zinc/90/45/56/351904556.db2.gz KLVMZVAXWXFHPR-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306171620 351904607 /nfs/dbraw/zinc/90/46/07/351904607.db2.gz KLVMZVAXWXFHPR-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1O 306174537 351905030 /nfs/dbraw/zinc/90/50/30/351905030.db2.gz BTGHRNUPIIYTMP-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1O 306174537 351905031 /nfs/dbraw/zinc/90/50/31/351905031.db2.gz BTGHRNUPIIYTMP-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1O 306174528 351905059 /nfs/dbraw/zinc/90/50/59/351905059.db2.gz BTGHRNUPIIYTMP-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1O 306174528 351905061 /nfs/dbraw/zinc/90/50/61/351905061.db2.gz BTGHRNUPIIYTMP-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1CO 306190477 351905806 /nfs/dbraw/zinc/90/58/06/351905806.db2.gz WQBVAZXGHGMLSO-BDAKNGLRSA-N 2 1 186.299 0.284 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@](C)(C[NH3+])C1 306217820 351908569 /nfs/dbraw/zinc/90/85/69/351908569.db2.gz QYJZMZDZLDYUSW-SNVBAGLBSA-N 2 1 186.299 0.428 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 306217819 351908603 /nfs/dbraw/zinc/90/86/03/351908603.db2.gz QYJZMZDZLDYUSW-JTQLQIEISA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@]1(C[N@H+]2CC[C@@H](O)C2)CC[NH2+]C1 306231880 351911235 /nfs/dbraw/zinc/91/12/35/351911235.db2.gz IFCOGDANUVEAQQ-NXEZZACHSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@@]1(C[N@H+]2CC[C@H](O)C2)CC[NH2+]C1 306367158 351923731 /nfs/dbraw/zinc/92/37/31/351923731.db2.gz IFCOGDANUVEAQQ-VHSXEESVSA-N 2 1 184.283 0.053 20 0 ACADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC(C)(C)[NH3+] 306421301 351927729 /nfs/dbraw/zinc/92/77/29/351927729.db2.gz YYNKFEUAAPKPAF-BDAKNGLRSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(C)(C)[NH3+] 306421304 351927786 /nfs/dbraw/zinc/92/77/86/351927786.db2.gz YYNKFEUAAPKPAF-RKDXNWHRSA-N 2 1 186.299 0.426 20 0 ACADMP C[N@H+](CC(C)(C)[NH3+])C1CC(O)C1 306449628 351932195 /nfs/dbraw/zinc/93/21/95/351932195.db2.gz AXZAITHEMFDNNC-UHFFFAOYSA-N 2 1 172.272 0.179 20 0 ACADMP C[N@@H+](CC(C)(C)[NH3+])C1CC(O)C1 306449628 351932196 /nfs/dbraw/zinc/93/21/96/351932196.db2.gz AXZAITHEMFDNNC-UHFFFAOYSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@@H]1OCC[N@H+](CCC[NH3+])[C@H]1C 306533354 351942339 /nfs/dbraw/zinc/94/23/39/351942339.db2.gz CVGVOAXAUULHIC-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1OCC[N@@H+](CCC[NH3+])[C@H]1C 306533354 351942340 /nfs/dbraw/zinc/94/23/40/351942340.db2.gz CVGVOAXAUULHIC-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1OCC[N@H+](CCC[NH3+])[C@@H]1C 306533350 351942392 /nfs/dbraw/zinc/94/23/92/351942392.db2.gz CVGVOAXAUULHIC-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1OCC[N@@H+](CCC[NH3+])[C@@H]1C 306533350 351942395 /nfs/dbraw/zinc/94/23/95/351942395.db2.gz CVGVOAXAUULHIC-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H]1C[C@H](O)C[N@H+]1CC1CC[NH2+]CC1 306643701 351952995 /nfs/dbraw/zinc/95/29/95/351952995.db2.gz XMZCRHQACCCORH-KOLCDFICSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[C@@H](O)C[N@H+]1CC1CC[NH2+]CC1 306643702 351953006 /nfs/dbraw/zinc/95/30/06/351953006.db2.gz XMZCRHQACCCORH-MWLCHTKSSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1CCCO1 307067818 351984595 /nfs/dbraw/zinc/98/45/95/351984595.db2.gz LQJJRFMJNBXLAF-MXWKQRLJSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@@H]1CCCO1 307067818 351984599 /nfs/dbraw/zinc/98/45/99/351984599.db2.gz LQJJRFMJNBXLAF-MXWKQRLJSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC[C@H]1CCCO1 307067817 351984628 /nfs/dbraw/zinc/98/46/28/351984628.db2.gz LQJJRFMJNBXLAF-GMTAPVOTSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC[C@H]1CCCO1 307067817 351984632 /nfs/dbraw/zinc/98/46/32/351984632.db2.gz LQJJRFMJNBXLAF-GMTAPVOTSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@H]1CCCO1 307067819 351984677 /nfs/dbraw/zinc/98/46/77/351984677.db2.gz LQJJRFMJNBXLAF-OUAUKWLOSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@H]1CCCO1 307067819 351984680 /nfs/dbraw/zinc/98/46/80/351984680.db2.gz LQJJRFMJNBXLAF-OUAUKWLOSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC[C@@H]1CCCO1 307067820 351984843 /nfs/dbraw/zinc/98/48/43/351984843.db2.gz LQJJRFMJNBXLAF-VWYCJHECSA-N 2 1 198.310 0.977 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC[C@@H]1CCCO1 307067820 351984846 /nfs/dbraw/zinc/98/48/46/351984846.db2.gz LQJJRFMJNBXLAF-VWYCJHECSA-N 2 1 198.310 0.977 20 0 ACADMP CC[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 307094585 351986537 /nfs/dbraw/zinc/98/65/37/351986537.db2.gz FIFAQLHSMISEGF-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 307094585 351986540 /nfs/dbraw/zinc/98/65/40/351986540.db2.gz FIFAQLHSMISEGF-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 307094620 351986623 /nfs/dbraw/zinc/98/66/23/351986623.db2.gz FIFAQLHSMISEGF-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 307094620 351986626 /nfs/dbraw/zinc/98/66/26/351986626.db2.gz FIFAQLHSMISEGF-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC([NH3+])C2)O1 307153608 351990709 /nfs/dbraw/zinc/99/07/09/351990709.db2.gz ATWQIWKCQGJYHS-SFXRXQKFSA-N 2 1 198.310 0.975 20 0 ACADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CC([NH3+])C2)O1 307153599 351990784 /nfs/dbraw/zinc/99/07/84/351990784.db2.gz ATWQIWKCQGJYHS-PMUOWJKOSA-N 2 1 198.310 0.975 20 0 ACADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CC([NH3+])C2)O1 307153592 351990807 /nfs/dbraw/zinc/99/08/07/351990807.db2.gz ATWQIWKCQGJYHS-IDWGSYCQSA-N 2 1 198.310 0.975 20 0 ACADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CC([NH3+])C2)O1 307153583 351990825 /nfs/dbraw/zinc/99/08/25/351990825.db2.gz ATWQIWKCQGJYHS-AGVGLQIMSA-N 2 1 198.310 0.975 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@]2(CCOC2)C1 307252797 351998489 /nfs/dbraw/zinc/99/84/89/351998489.db2.gz TUZSXLVAMMWAGF-NSHDSACASA-N 2 1 198.310 0.836 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@@]2(CCOC2)C1 307252796 351998503 /nfs/dbraw/zinc/99/85/03/351998503.db2.gz TUZSXLVAMMWAGF-LLVKDONJSA-N 2 1 198.310 0.836 20 0 ACADMP C[C@@H]1COCC[N@H+](CC(C)(C)[NH3+])C1 307271469 351999925 /nfs/dbraw/zinc/99/99/25/351999925.db2.gz NKUQXEKEIRPFQE-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1COCC[N@@H+](CC(C)(C)[NH3+])C1 307271469 351999927 /nfs/dbraw/zinc/99/99/27/351999927.db2.gz NKUQXEKEIRPFQE-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307294206 352001095 /nfs/dbraw/zinc/00/10/95/352001095.db2.gz NBVPNKNEHKBRNW-UWVGGRQHSA-N 2 1 198.310 0.441 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307294208 352001113 /nfs/dbraw/zinc/00/11/13/352001113.db2.gz NBVPNKNEHKBRNW-ZJUUUORDSA-N 2 1 198.310 0.441 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307294205 352001269 /nfs/dbraw/zinc/00/12/69/352001269.db2.gz NBVPNKNEHKBRNW-NXEZZACHSA-N 2 1 198.310 0.441 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307294207 352001317 /nfs/dbraw/zinc/00/13/17/352001317.db2.gz NBVPNKNEHKBRNW-VHSXEESVSA-N 2 1 198.310 0.441 20 0 ACADMP CC(C)C[N@H+]1CCCO[C@@H](C[NH3+])C1 307335985 352004455 /nfs/dbraw/zinc/00/44/55/352004455.db2.gz NICKPEBJHODJPL-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)C[N@H+]1CCCO[C@@H](CN)C1 307335985 352004444 /nfs/dbraw/zinc/00/44/44/352004444.db2.gz NICKPEBJHODJPL-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)C[N@H+]1CCCO[C@H](CN)C1 307335986 352004506 /nfs/dbraw/zinc/00/45/06/352004506.db2.gz NICKPEBJHODJPL-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)C[N@H+]1CCCO[C@H](C[NH3+])C1 307335986 352004512 /nfs/dbraw/zinc/00/45/12/352004512.db2.gz NICKPEBJHODJPL-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307455789 352014769 /nfs/dbraw/zinc/01/47/69/352014769.db2.gz DUPNREJFZDGWHR-NXEZZACHSA-N 2 1 198.310 0.299 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 307455992 352014787 /nfs/dbraw/zinc/01/47/87/352014787.db2.gz DUPNREJFZDGWHR-VHSXEESVSA-N 2 1 198.310 0.299 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 307455991 352014794 /nfs/dbraw/zinc/01/47/94/352014794.db2.gz DUPNREJFZDGWHR-UWVGGRQHSA-N 2 1 198.310 0.299 20 0 ACADMP CC(C)(O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307455993 352014908 /nfs/dbraw/zinc/01/49/08/352014908.db2.gz DUPNREJFZDGWHR-ZJUUUORDSA-N 2 1 198.310 0.299 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1C[C@H](O)C(C)(C)C1 307480359 352015830 /nfs/dbraw/zinc/01/58/30/352015830.db2.gz KBAZYOFFWVHAJH-QMMMGPOBSA-N 2 1 186.299 0.426 20 0 ACADMP CC(C)([NH3+])C[N@H+]1C[C@H](O)C(C)(C)C1 307480359 352015834 /nfs/dbraw/zinc/01/58/34/352015834.db2.gz KBAZYOFFWVHAJH-QMMMGPOBSA-N 2 1 186.299 0.426 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1C[C@@H](O)C(C)(C)C1 307480358 352016102 /nfs/dbraw/zinc/01/61/02/352016102.db2.gz KBAZYOFFWVHAJH-MRVPVSSYSA-N 2 1 186.299 0.426 20 0 ACADMP CC(C)([NH3+])C[N@H+]1C[C@@H](O)C(C)(C)C1 307480358 352016105 /nfs/dbraw/zinc/01/61/05/352016105.db2.gz KBAZYOFFWVHAJH-MRVPVSSYSA-N 2 1 186.299 0.426 20 0 ACADMP C1=C(C[N@@H+]2CCC[NH2+]CC2)COCC1 307520214 352018783 /nfs/dbraw/zinc/01/87/83/352018783.db2.gz XIJPBHPEZMJDGX-UHFFFAOYSA-N 2 1 196.294 0.628 20 0 ACADMP C1=C(C[N@H+]2CCC[NH2+]CC2)COCC1 307520214 352018786 /nfs/dbraw/zinc/01/87/86/352018786.db2.gz XIJPBHPEZMJDGX-UHFFFAOYSA-N 2 1 196.294 0.628 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc[nH]n1 307748735 352037416 /nfs/dbraw/zinc/03/74/16/352037416.db2.gz CYIMJQSWIJEBFD-BDAKNGLRSA-N 2 1 194.282 0.579 20 0 ACADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc[nH]n1 307748735 352037417 /nfs/dbraw/zinc/03/74/17/352037417.db2.gz CYIMJQSWIJEBFD-BDAKNGLRSA-N 2 1 194.282 0.579 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc[nH]n1 307748738 352037540 /nfs/dbraw/zinc/03/75/40/352037540.db2.gz CYIMJQSWIJEBFD-RKDXNWHRSA-N 2 1 194.282 0.579 20 0 ACADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc[nH]n1 307748738 352037546 /nfs/dbraw/zinc/03/75/46/352037546.db2.gz CYIMJQSWIJEBFD-RKDXNWHRSA-N 2 1 194.282 0.579 20 0 ACADMP C[N@@H+](CCC[NH3+])CCc1cn[nH]c1 308178906 352045526 /nfs/dbraw/zinc/04/55/26/352045526.db2.gz BPYVRSKDZYFKJS-UHFFFAOYSA-N 2 1 182.271 0.233 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)C1 308471020 352051711 /nfs/dbraw/zinc/05/17/11/352051711.db2.gz IOQQJKVNWINRFJ-VIFPVBQESA-N 2 1 194.282 0.233 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CCc2cn[nH]c2)C1 308471019 352051914 /nfs/dbraw/zinc/05/19/14/352051914.db2.gz IOQQJKVNWINRFJ-SECBINFHSA-N 2 1 194.282 0.233 20 0 ACADMP CCCC[N@H+]1CCCO[C@@H](CN)C1 313378955 352054728 /nfs/dbraw/zinc/05/47/28/352054728.db2.gz NZNFNLRKKORFMH-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 313378955 352054736 /nfs/dbraw/zinc/05/47/36/352054736.db2.gz NZNFNLRKKORFMH-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP CCCC[N@H+]1CCCO[C@H](CN)C1 313378958 352054895 /nfs/dbraw/zinc/05/48/95/352054895.db2.gz NZNFNLRKKORFMH-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](O)C1 334225834 352059208 /nfs/dbraw/zinc/05/92/08/352059208.db2.gz MNBCYBRQTJWNSA-WDEREUQCSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](O)C1 334225833 352059791 /nfs/dbraw/zinc/05/97/91/352059791.db2.gz MNBCYBRQTJWNSA-GHMZBOCLSA-N 2 1 198.310 0.537 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC1 334866057 352084051 /nfs/dbraw/zinc/08/40/51/352084051.db2.gz VXUYQGOVRAOGAZ-PSASIEDQSA-N 2 1 168.284 0.984 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC1 334866058 352084104 /nfs/dbraw/zinc/08/41/04/352084104.db2.gz VXUYQGOVRAOGAZ-SCZZXKLOSA-N 2 1 168.284 0.984 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 335448076 352097887 /nfs/dbraw/zinc/09/78/87/352097887.db2.gz LVEMRRDOBJZUEW-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 335448076 352097882 /nfs/dbraw/zinc/09/78/82/352097882.db2.gz LVEMRRDOBJZUEW-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1C[NH2+]C1 335525729 352101878 /nfs/dbraw/zinc/10/18/78/352101878.db2.gz RLEJLLQYEHMQGI-LDYMZIIASA-N 2 1 195.310 0.031 20 0 ACADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[NH2+]C1 335525727 352102288 /nfs/dbraw/zinc/10/22/88/352102288.db2.gz RLEJLLQYEHMQGI-KCJUWKMLSA-N 2 1 195.310 0.031 20 0 ACADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1COC1 528029513 352174502 /nfs/dbraw/zinc/17/45/02/352174502.db2.gz ZVBZWSVYCLQRCC-GXSJLCMTSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1COC1 528029517 352174547 /nfs/dbraw/zinc/17/45/47/352174547.db2.gz ZVBZWSVYCLQRCC-MWLCHTKSSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1COC1 528029518 352174996 /nfs/dbraw/zinc/17/49/96/352174996.db2.gz ZVBZWSVYCLQRCC-ONGXEEELSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1COC1 528029515 352175039 /nfs/dbraw/zinc/17/50/39/352175039.db2.gz ZVBZWSVYCLQRCC-KOLCDFICSA-N 2 1 198.310 0.563 20 0 ACADMP C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 536949410 352189574 /nfs/dbraw/zinc/18/95/74/352189574.db2.gz LWYGAPMELYUMRL-SFYZADRCSA-N 2 1 140.230 0.158 20 0 ACADMP C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 536949408 352189628 /nfs/dbraw/zinc/18/96/28/352189628.db2.gz LWYGAPMELYUMRL-JGVFFNPUSA-N 2 1 140.230 0.158 20 0 ACADMP C[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 536949405 352189654 /nfs/dbraw/zinc/18/96/54/352189654.db2.gz LWYGAPMELYUMRL-HTQZYQBOSA-N 2 1 140.230 0.158 20 0 ACADMP C[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 536949412 352189720 /nfs/dbraw/zinc/18/97/20/352189720.db2.gz LWYGAPMELYUMRL-YUMQZZPRSA-N 2 1 140.230 0.158 20 0 ACADMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 536952869 352191349 /nfs/dbraw/zinc/19/13/49/352191349.db2.gz FYZZPSKBMZDJPF-IUCAKERBSA-N 2 1 154.257 0.548 20 0 ACADMP CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 536952867 352191390 /nfs/dbraw/zinc/19/13/90/352191390.db2.gz FYZZPSKBMZDJPF-DTWKUNHWSA-N 2 1 154.257 0.548 20 0 ACADMP CC[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 536952861 352191470 /nfs/dbraw/zinc/19/14/70/352191470.db2.gz FYZZPSKBMZDJPF-BDAKNGLRSA-N 2 1 154.257 0.548 20 0 ACADMP CC[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 536952870 352191518 /nfs/dbraw/zinc/19/15/18/352191518.db2.gz FYZZPSKBMZDJPF-RKDXNWHRSA-N 2 1 154.257 0.548 20 0 ACADMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CC1)C2 536953677 352191875 /nfs/dbraw/zinc/19/18/75/352191875.db2.gz IWBDNHRSCUGIJT-SCZZXKLOSA-N 2 1 166.268 0.690 20 0 ACADMP C[C@]12C[NH2+]C[C@@H]1C[N@H+](C1CC1)C2 536953662 352191883 /nfs/dbraw/zinc/19/18/83/352191883.db2.gz IWBDNHRSCUGIJT-PSASIEDQSA-N 2 1 166.268 0.690 20 0 ACADMP C[C@@]12C[NH2+]C[C@H]1C[N@H+](C1CC1)C2 536953680 352192117 /nfs/dbraw/zinc/19/21/17/352192117.db2.gz IWBDNHRSCUGIJT-WPRPVWTQSA-N 2 1 166.268 0.690 20 0 ACADMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C1CC1)C2 536953679 352192131 /nfs/dbraw/zinc/19/21/31/352192131.db2.gz IWBDNHRSCUGIJT-WCBMZHEXSA-N 2 1 166.268 0.690 20 0 ACADMP CC[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 536954366 352192166 /nfs/dbraw/zinc/19/21/66/352192166.db2.gz LBQFQICCQSBRHA-AOOOYVTPSA-N 2 1 168.284 0.938 20 0 ACADMP [NH3+]C[C@]12CCC[N@H+]1CC1(CC1)C2 575440922 352205459 /nfs/dbraw/zinc/20/54/59/352205459.db2.gz ZORRCWUGHCAFKX-SNVBAGLBSA-N 2 1 166.268 0.964 20 0 ACADMP [NH3+]C[C@@]12CCC[N@H+]1CC1(CC1)C2 575440921 352205620 /nfs/dbraw/zinc/20/56/20/352205620.db2.gz ZORRCWUGHCAFKX-JTQLQIEISA-N 2 1 166.268 0.964 20 0 ACADMP C1C[C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C[NH2+]1 575499106 352399211 /nfs/dbraw/zinc/39/92/11/352399211.db2.gz DYQXKUURINJYBN-HBNTYKKESA-N 2 1 180.295 0.938 20 0 ACADMP C1C[C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C[NH2+]1 575499101 352399296 /nfs/dbraw/zinc/39/92/96/352399296.db2.gz DYQXKUURINJYBN-DCAQKATOSA-N 2 1 180.295 0.938 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@@H]2C[C@@H]2C1 575499252 352399781 /nfs/dbraw/zinc/39/97/81/352399781.db2.gz IARWDQQVMQNGTB-RKDXNWHRSA-N 2 1 154.257 0.677 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@H]2C[C@H]2C1 575499250 352399998 /nfs/dbraw/zinc/39/99/98/352399998.db2.gz IARWDQQVMQNGTB-IUCAKERBSA-N 2 1 154.257 0.677 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2C[C@@H]2C1 575500014 352404461 /nfs/dbraw/zinc/40/44/61/352404461.db2.gz PORJRNHHFCKLJK-DJLDLDEBSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2C[C@H]2C1 575500012 352404794 /nfs/dbraw/zinc/40/47/94/352404794.db2.gz PORJRNHHFCKLJK-CIUDSAMLSA-N 2 1 154.257 0.675 20 0 ACADMP C[C@H]1C[N@@H+](C[C@@H](C)[NH3+])CC[C@@H](C)O1 575501205 352410542 /nfs/dbraw/zinc/41/05/42/352410542.db2.gz YSXWUWOVGTVJFT-BBBLOLIVSA-N 2 1 186.299 0.833 20 0 ACADMP C[C@H]1C[N@H+](C[C@@H](C)[NH3+])CC[C@@H](C)O1 575501205 352410540 /nfs/dbraw/zinc/41/05/40/352410540.db2.gz YSXWUWOVGTVJFT-BBBLOLIVSA-N 2 1 186.299 0.833 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 575501204 352410573 /nfs/dbraw/zinc/41/05/73/352410573.db2.gz YSXWUWOVGTVJFT-AEJSXWLSSA-N 2 1 186.299 0.833 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 575501204 352410576 /nfs/dbraw/zinc/41/05/76/352410576.db2.gz YSXWUWOVGTVJFT-AEJSXWLSSA-N 2 1 186.299 0.833 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H](F)C1 575516809 352493821 /nfs/dbraw/zinc/49/38/21/352493821.db2.gz CMGSJXUQHUUWGW-UTLUCORTSA-N 2 1 186.274 0.886 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H](F)C1 575516809 352493824 /nfs/dbraw/zinc/49/38/24/352493824.db2.gz CMGSJXUQHUUWGW-UTLUCORTSA-N 2 1 186.274 0.886 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](F)C1 575516807 352494122 /nfs/dbraw/zinc/49/41/22/352494122.db2.gz CMGSJXUQHUUWGW-KXUCPTDWSA-N 2 1 186.274 0.886 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](F)C1 575516807 352494126 /nfs/dbraw/zinc/49/41/26/352494126.db2.gz CMGSJXUQHUUWGW-KXUCPTDWSA-N 2 1 186.274 0.886 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575545124 352620914 /nfs/dbraw/zinc/62/09/14/352620914.db2.gz ZRAHIUVURDNMKC-ZNSHCXBVSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CC1CC1)C2 575549100 352633699 /nfs/dbraw/zinc/63/36/99/352633699.db2.gz HJUKLYRNCMCBLO-MNOVXSKESA-N 2 1 180.295 0.938 20 0 ACADMP C[C@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 575560349 352676409 /nfs/dbraw/zinc/67/64/09/352676409.db2.gz KDFNUYZNUATKJI-YIZRAAEISA-N 2 1 154.257 0.594 20 0 ACADMP C[C@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C1 575560347 352676455 /nfs/dbraw/zinc/67/64/55/352676455.db2.gz KDFNUYZNUATKJI-CIUDSAMLSA-N 2 1 154.257 0.594 20 0 ACADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583187 352792077 /nfs/dbraw/zinc/79/20/77/352792077.db2.gz KYGUEJNFHJRBKN-ZDCRXTMVSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583187 352792078 /nfs/dbraw/zinc/79/20/78/352792078.db2.gz KYGUEJNFHJRBKN-ZDCRXTMVSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583188 352792396 /nfs/dbraw/zinc/79/23/96/352792396.db2.gz KYGUEJNFHJRBKN-ZNSHCXBVSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583184 352792355 /nfs/dbraw/zinc/79/23/55/352792355.db2.gz KYGUEJNFHJRBKN-DBIOUOCHSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583184 352792360 /nfs/dbraw/zinc/79/23/60/352792360.db2.gz KYGUEJNFHJRBKN-DBIOUOCHSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583188 352792392 /nfs/dbraw/zinc/79/23/92/352792392.db2.gz KYGUEJNFHJRBKN-ZNSHCXBVSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583186 352792458 /nfs/dbraw/zinc/79/24/58/352792458.db2.gz KYGUEJNFHJRBKN-VLEAKVRGSA-N 2 1 180.295 0.936 20 0 ACADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 575583186 352792460 /nfs/dbraw/zinc/79/24/60/352792460.db2.gz KYGUEJNFHJRBKN-VLEAKVRGSA-N 2 1 180.295 0.936 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC2(O)CCC2)C1 575595430 352855383 /nfs/dbraw/zinc/85/53/83/352855383.db2.gz IVNWIXXSSMDVEL-VIFPVBQESA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC2(O)CCC2)C1 575595430 352855387 /nfs/dbraw/zinc/85/53/87/352855387.db2.gz IVNWIXXSSMDVEL-VIFPVBQESA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC2(O)CCC2)C1 575595429 352855435 /nfs/dbraw/zinc/85/54/35/352855435.db2.gz IVNWIXXSSMDVEL-SECBINFHSA-N 2 1 184.283 0.325 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC2(O)CCC2)C1 575595429 352855438 /nfs/dbraw/zinc/85/54/38/352855438.db2.gz IVNWIXXSSMDVEL-SECBINFHSA-N 2 1 184.283 0.325 20 0 ACADMP C[C@@H]1C[N@H+](CC2(O)CCC2)C[C@H]1[NH3+] 575595415 352855511 /nfs/dbraw/zinc/85/55/11/352855511.db2.gz HSPKWLHVKZWWDU-RKDXNWHRSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@@H]1C[N@@H+](CC2(O)CCC2)C[C@H]1[NH3+] 575595415 352855512 /nfs/dbraw/zinc/85/55/12/352855512.db2.gz HSPKWLHVKZWWDU-RKDXNWHRSA-N 2 1 184.283 0.180 20 0 ACADMP COCCC[NH2+][C@@H](C[NH3+])C(C)(C)C 643075473 352936391 /nfs/dbraw/zinc/93/63/91/352936391.db2.gz MWOOGSJWJKHRIQ-VIFPVBQESA-N 2 1 188.315 0.986 20 0 ACADMP CC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077256 352936545 /nfs/dbraw/zinc/93/65/45/352936545.db2.gz MGCXYVUGOZXBNZ-HRDYMLBCSA-N 2 1 156.273 0.982 20 0 ACADMP CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077257 352936698 /nfs/dbraw/zinc/93/66/98/352936698.db2.gz MGCXYVUGOZXBNZ-IWSPIJDZSA-N 2 1 156.273 0.982 20 0 ACADMP CCOCC[NH2+][C@@H](C[NH3+])C(C)(C)C 643075616 352936634 /nfs/dbraw/zinc/93/66/34/352936634.db2.gz CLZLHQVRIRDTHE-VIFPVBQESA-N 2 1 188.315 0.986 20 0 ACADMP CCOCC[NH2+][C@H](C[NH3+])C(C)(C)C 643075615 352936687 /nfs/dbraw/zinc/93/66/87/352936687.db2.gz CLZLHQVRIRDTHE-SECBINFHSA-N 2 1 188.315 0.986 20 0 ACADMP COCCC[NH2+][C@H](C[NH3+])C(C)(C)C 643075472 352936810 /nfs/dbraw/zinc/93/68/10/352936810.db2.gz MWOOGSJWJKHRIQ-SECBINFHSA-N 2 1 188.315 0.986 20 0 ACADMP CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077258 352936852 /nfs/dbraw/zinc/93/68/52/352936852.db2.gz MGCXYVUGOZXBNZ-XHNCKOQMSA-N 2 1 156.273 0.982 20 0 ACADMP CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077255 352936972 /nfs/dbraw/zinc/93/69/72/352936972.db2.gz MGCXYVUGOZXBNZ-DJLDLDEBSA-N 2 1 156.273 0.982 20 0 ACADMP COCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077538 352937340 /nfs/dbraw/zinc/93/73/40/352937340.db2.gz QHHGIXHSODVUKP-OPRDCNLKSA-N 2 1 186.299 0.609 20 0 ACADMP COCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077535 352937416 /nfs/dbraw/zinc/93/74/16/352937416.db2.gz QHHGIXHSODVUKP-IVZWLZJFSA-N 2 1 186.299 0.609 20 0 ACADMP COCCCCC[N@H+](C)CC[NH3+] 643081557 352937733 /nfs/dbraw/zinc/93/77/33/352937733.db2.gz XFIRYJDHWIFDKD-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP COCCCCC[N@@H+](C)CC[NH3+] 643081557 352937736 /nfs/dbraw/zinc/93/77/36/352937736.db2.gz XFIRYJDHWIFDKD-UHFFFAOYSA-N 2 1 174.288 0.694 20 0 ACADMP COCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077537 352937881 /nfs/dbraw/zinc/93/78/81/352937881.db2.gz QHHGIXHSODVUKP-LPEHRKFASA-N 2 1 186.299 0.609 20 0 ACADMP COCC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077536 352937890 /nfs/dbraw/zinc/93/78/90/352937890.db2.gz QHHGIXHSODVUKP-KXUCPTDWSA-N 2 1 186.299 0.609 20 0 ACADMP COC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643454199 352953537 /nfs/dbraw/zinc/95/35/37/352953537.db2.gz YCZBZIWTFLTVRE-BBBLOLIVSA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643454200 352953802 /nfs/dbraw/zinc/95/38/02/352953802.db2.gz YCZBZIWTFLTVRE-KXUCPTDWSA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643454201 352953815 /nfs/dbraw/zinc/95/38/15/352953815.db2.gz YCZBZIWTFLTVRE-OPRDCNLKSA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643454202 352953843 /nfs/dbraw/zinc/95/38/43/352953843.db2.gz YCZBZIWTFLTVRE-UTLUCORTSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCC[NH2+]1 643455772 352954165 /nfs/dbraw/zinc/95/41/65/352954165.db2.gz WTVZQZXPAPXEOC-GMTAPVOTSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 643455775 352954173 /nfs/dbraw/zinc/95/41/73/352954173.db2.gz WTVZQZXPAPXEOC-VWYCJHECSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@@H]([NH2+]CCOC)[C@@H]1CCC[NH2+]1 643455599 352954191 /nfs/dbraw/zinc/95/41/91/352954191.db2.gz AQTTWJYWVGXGID-ZJUUUORDSA-N 2 1 186.299 0.753 20 0 ACADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 643456754 352954245 /nfs/dbraw/zinc/95/42/45/352954245.db2.gz WHJMGBZSSDIRDL-MNOVXSKESA-N 2 1 197.326 0.552 20 0 ACADMP C[C@@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 643455773 352954268 /nfs/dbraw/zinc/95/42/68/352954268.db2.gz WTVZQZXPAPXEOC-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCN1CCCC1 643456709 352954449 /nfs/dbraw/zinc/95/44/49/352954449.db2.gz LLVAYJSLSDPJNV-QWRGUYRKSA-N 2 1 199.342 0.798 20 0 ACADMP CC[C@H]([NH2+]CCOC)[C@@H]1CCC[NH2+]1 643455598 352954596 /nfs/dbraw/zinc/95/45/96/352954596.db2.gz AQTTWJYWVGXGID-UWVGGRQHSA-N 2 1 186.299 0.753 20 0 ACADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCN1CCCC1 643456753 352954607 /nfs/dbraw/zinc/95/46/07/352954607.db2.gz WHJMGBZSSDIRDL-GHMZBOCLSA-N 2 1 197.326 0.552 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCCC1 643456707 352954671 /nfs/dbraw/zinc/95/46/71/352954671.db2.gz LLVAYJSLSDPJNV-GHMZBOCLSA-N 2 1 199.342 0.798 20 0 ACADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCN1CCCC1 643456755 352954718 /nfs/dbraw/zinc/95/47/18/352954718.db2.gz WHJMGBZSSDIRDL-QWRGUYRKSA-N 2 1 197.326 0.552 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCN1CCCC1 643456708 352954770 /nfs/dbraw/zinc/95/47/70/352954770.db2.gz LLVAYJSLSDPJNV-MNOVXSKESA-N 2 1 199.342 0.798 20 0 ACADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCN1CCCC1 643456756 352954848 /nfs/dbraw/zinc/95/48/48/352954848.db2.gz WHJMGBZSSDIRDL-WDEREUQCSA-N 2 1 197.326 0.552 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCN1CCCC1 643456710 352954885 /nfs/dbraw/zinc/95/48/85/352954885.db2.gz LLVAYJSLSDPJNV-WDEREUQCSA-N 2 1 199.342 0.798 20 0 ACADMP C[C@@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 643455774 352954918 /nfs/dbraw/zinc/95/49/18/352954918.db2.gz WTVZQZXPAPXEOC-OUAUKWLOSA-N 2 1 198.310 0.896 20 0 ACADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[C@@H]1[NH3+] 643462564 352956010 /nfs/dbraw/zinc/95/60/10/352956010.db2.gz QJZGWJUTTYBGTP-QWRGUYRKSA-N 2 1 199.342 0.796 20 0 ACADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[C@H]1[NH3+] 643462563 352956100 /nfs/dbraw/zinc/95/61/00/352956100.db2.gz QJZGWJUTTYBGTP-MNOVXSKESA-N 2 1 199.342 0.796 20 0 ACADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@H]1[NH3+] 643462562 352956179 /nfs/dbraw/zinc/95/61/79/352956179.db2.gz QJZGWJUTTYBGTP-GHMZBOCLSA-N 2 1 199.342 0.796 20 0 ACADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[NH3+] 643462565 352956715 /nfs/dbraw/zinc/95/67/15/352956715.db2.gz QJZGWJUTTYBGTP-WDEREUQCSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H](CO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 643473842 352959619 /nfs/dbraw/zinc/95/96/19/352959619.db2.gz QRNFLBAVSGOKFG-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H]([NH2+][C@H](C)CO)[C@@H]1CCC[NH2+]1 643472141 352959644 /nfs/dbraw/zinc/95/96/44/352959644.db2.gz ZJVXFUAEJIJSRO-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](CCO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643473523 352959725 /nfs/dbraw/zinc/95/97/25/352959725.db2.gz YLZVKSZVXKGGKC-LPEHRKFASA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643473519 352959736 /nfs/dbraw/zinc/95/97/36/352959736.db2.gz YLZVKSZVXKGGKC-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](CCO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643473520 352959764 /nfs/dbraw/zinc/95/97/64/352959764.db2.gz YLZVKSZVXKGGKC-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643472108 352959768 /nfs/dbraw/zinc/95/97/68/352959768.db2.gz NPOAMIAMRIBTNQ-LPEHRKFASA-N 2 1 186.299 0.202 20 0 ACADMP C[C@@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643473521 352959836 /nfs/dbraw/zinc/95/98/36/352959836.db2.gz YLZVKSZVXKGGKC-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 643473843 352959841 /nfs/dbraw/zinc/95/98/41/352959841.db2.gz QRNFLBAVSGOKFG-LPEHRKFASA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643472107 352959853 /nfs/dbraw/zinc/95/98/53/352959853.db2.gz NPOAMIAMRIBTNQ-IVZWLZJFSA-N 2 1 186.299 0.202 20 0 ACADMP CC[C@H]([NH2+]C[C@@H](C)O)[C@@H]1CCC[NH2+]1 643471673 352959868 /nfs/dbraw/zinc/95/98/68/352959868.db2.gz ISHRTTRHHBGSOY-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 643473841 352959913 /nfs/dbraw/zinc/95/99/13/352959913.db2.gz QRNFLBAVSGOKFG-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 643472105 352959934 /nfs/dbraw/zinc/95/99/34/352959934.db2.gz NPOAMIAMRIBTNQ-AEJSXWLSSA-N 2 1 186.299 0.202 20 0 ACADMP CC[C@H]([NH2+][C@@H](C)CO)[C@@H]1CCC[NH2+]1 643473877 352959940 /nfs/dbraw/zinc/95/99/40/352959940.db2.gz ZJVXFUAEJIJSRO-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 643473840 352959952 /nfs/dbraw/zinc/95/99/52/352959952.db2.gz QRNFLBAVSGOKFG-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H]([NH2+]C[C@@H](C)O)[C@@H]1CCC[NH2+]1 643471671 352959970 /nfs/dbraw/zinc/95/99/70/352959970.db2.gz ISHRTTRHHBGSOY-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H]([NH2+]C[C@H](C)O)[C@@H]1CCC[NH2+]1 643471672 352959983 /nfs/dbraw/zinc/95/99/83/352959983.db2.gz ISHRTTRHHBGSOY-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643472106 352960023 /nfs/dbraw/zinc/96/00/23/352960023.db2.gz NPOAMIAMRIBTNQ-GUBZILKMSA-N 2 1 186.299 0.202 20 0 ACADMP CC[C@@H]([NH2+]C[C@H](C)O)[C@@H]1CCC[NH2+]1 643471670 352960050 /nfs/dbraw/zinc/96/00/50/352960050.db2.gz ISHRTTRHHBGSOY-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H]([NH2+][C@@H](C)CO)[C@@H]1CCC[NH2+]1 643473876 352960065 /nfs/dbraw/zinc/96/00/65/352960065.db2.gz ZJVXFUAEJIJSRO-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H]([NH2+][C@H](C)CO)[C@@H]1CCC[NH2+]1 643472142 352960075 /nfs/dbraw/zinc/96/00/75/352960075.db2.gz ZJVXFUAEJIJSRO-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H]([NH2+][C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 643475994 352960549 /nfs/dbraw/zinc/96/05/49/352960549.db2.gz RHZDCBKCAVIUIN-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 643475349 352960655 /nfs/dbraw/zinc/96/06/55/352960655.db2.gz JOVQUSNDWUBJIB-OUAUKWLOSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@H]([NH2+][C@H]1CCOC1)[C@@H]1CCC[NH2+]1 643475993 352960692 /nfs/dbraw/zinc/96/06/92/352960692.db2.gz RHZDCBKCAVIUIN-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@@H]([NH2+][C@H]1CCOC1)[C@@H]1CCC[NH2+]1 643475992 352960724 /nfs/dbraw/zinc/96/07/24/352960724.db2.gz RHZDCBKCAVIUIN-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 643475348 352960852 /nfs/dbraw/zinc/96/08/52/352960852.db2.gz JOVQUSNDWUBJIB-GARJFASQSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@H]([NH2+][C@@H]1CCOC1)[C@@H]1CCC[NH2+]1 643475995 352960909 /nfs/dbraw/zinc/96/09/09/352960909.db2.gz RHZDCBKCAVIUIN-VWYCJHECSA-N 2 1 198.310 0.896 20 0 ACADMP CC[C@@H](CO)[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643483161 352962019 /nfs/dbraw/zinc/96/20/19/352962019.db2.gz QCWJRVMNNCBAMG-GUBZILKMSA-N 2 1 186.299 0.345 20 0 ACADMP CC[C@@H](CO)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643483163 352962575 /nfs/dbraw/zinc/96/25/75/352962575.db2.gz QCWJRVMNNCBAMG-LPEHRKFASA-N 2 1 186.299 0.345 20 0 ACADMP CO[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 643483452 352962632 /nfs/dbraw/zinc/96/26/32/352962632.db2.gz FDNHOBPNDJDPGR-AEJSXWLSSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 643483455 352962639 /nfs/dbraw/zinc/96/26/39/352962639.db2.gz FDNHOBPNDJDPGR-LPEHRKFASA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 643483453 352962667 /nfs/dbraw/zinc/96/26/67/352962667.db2.gz FDNHOBPNDJDPGR-GUBZILKMSA-N 2 1 186.299 0.751 20 0 ACADMP CC[C@@H](CO)[NH2+][C@H]1C[NH2+]CC[C@H]1C 643483164 352962802 /nfs/dbraw/zinc/96/28/02/352962802.db2.gz QCWJRVMNNCBAMG-UTLUCORTSA-N 2 1 186.299 0.345 20 0 ACADMP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CCC[NH2+]1 643493567 352967134 /nfs/dbraw/zinc/96/71/34/352967134.db2.gz FTHHUMQTHUUEMV-IMSYWVGJSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@H]1CCC[NH2+]1 643493565 352967155 /nfs/dbraw/zinc/96/71/55/352967155.db2.gz FTHHUMQTHUUEMV-AXTSPUMRSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@H]1CCCC[NH2+]1 643493559 352967224 /nfs/dbraw/zinc/96/72/24/352967224.db2.gz DMOCEEYCWSYENE-UKKRHICBSA-N 2 1 198.310 0.630 20 0 ACADMP CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CCC[NH2+]1 643493555 352967327 /nfs/dbraw/zinc/96/73/27/352967327.db2.gz CYDVJHDKGQRWPG-VLEAKVRGSA-N 2 1 198.310 0.630 20 0 ACADMP CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CCC[NH2+]1 643493556 352967455 /nfs/dbraw/zinc/96/74/55/352967455.db2.gz CYDVJHDKGQRWPG-YTWAJWBKSA-N 2 1 198.310 0.630 20 0 ACADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CCC[NH2+]1 643493568 352967467 /nfs/dbraw/zinc/96/74/67/352967467.db2.gz FTHHUMQTHUUEMV-QEYWKRMJSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@H]1CCC[NH2+]1 643493566 352967480 /nfs/dbraw/zinc/96/74/80/352967480.db2.gz FTHHUMQTHUUEMV-DOLQZWNJSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@H]1CCCC[NH2+]1 643493557 352967595 /nfs/dbraw/zinc/96/75/95/352967595.db2.gz DMOCEEYCWSYENE-CHWFTXMASA-N 2 1 198.310 0.630 20 0 ACADMP C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 643493560 352967608 /nfs/dbraw/zinc/96/76/08/352967608.db2.gz DMOCEEYCWSYENE-ZNSHCXBVSA-N 2 1 198.310 0.630 20 0 ACADMP C[C@H]([NH2+][C@H]1C[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 643493558 352967611 /nfs/dbraw/zinc/96/76/11/352967611.db2.gz DMOCEEYCWSYENE-MMWGEVLESA-N 2 1 198.310 0.630 20 0 ACADMP COC[C@H](CC(C)C)[NH2+]CC[NH3+] 643495670 352968143 /nfs/dbraw/zinc/96/81/43/352968143.db2.gz BMBKTVUKUPDVMG-VIFPVBQESA-N 2 1 174.288 0.596 20 0 ACADMP CCCC[C@@H](COC)[NH2+]CC[NH3+] 643495695 352968338 /nfs/dbraw/zinc/96/83/38/352968338.db2.gz IVRXPGWUTCPWJA-VIFPVBQESA-N 2 1 174.288 0.740 20 0 ACADMP CCCC[C@H](COC)[NH2+]CC[NH3+] 643495694 352968379 /nfs/dbraw/zinc/96/83/79/352968379.db2.gz IVRXPGWUTCPWJA-SECBINFHSA-N 2 1 174.288 0.740 20 0 ACADMP COC[C@@H](CC(C)C)[NH2+]CC[NH3+] 643495669 352968692 /nfs/dbraw/zinc/96/86/92/352968692.db2.gz BMBKTVUKUPDVMG-SECBINFHSA-N 2 1 174.288 0.596 20 0 ACADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH3+] 643495854 352969052 /nfs/dbraw/zinc/96/90/52/352969052.db2.gz SYGYGKOEGSYKCN-SFYZADRCSA-N 2 1 142.246 0.723 20 0 ACADMP CC[C@@H]1CC[C@H]1[NH2+]CC[NH3+] 643495852 352969069 /nfs/dbraw/zinc/96/90/69/352969069.db2.gz SYGYGKOEGSYKCN-HTQZYQBOSA-N 2 1 142.246 0.723 20 0 ACADMP COC[C@@H]([NH2+]CC[NH3+])C1CCCC1 643495828 352969289 /nfs/dbraw/zinc/96/92/89/352969289.db2.gz PYSDMKMFCZXICX-SNVBAGLBSA-N 2 1 186.299 0.740 20 0 ACADMP CC[C@H]1CC[C@H]1[NH2+]CC[NH3+] 643495853 352969469 /nfs/dbraw/zinc/96/94/69/352969469.db2.gz SYGYGKOEGSYKCN-JGVFFNPUSA-N 2 1 142.246 0.723 20 0 ACADMP COC[C@H]([NH2+]CC[NH3+])C1CCCC1 643495827 352969587 /nfs/dbraw/zinc/96/95/87/352969587.db2.gz PYSDMKMFCZXICX-JTQLQIEISA-N 2 1 186.299 0.740 20 0 ACADMP CC[C@H]1CC[C@@H]1[NH2+]CC[NH3+] 643495855 352969805 /nfs/dbraw/zinc/96/98/05/352969805.db2.gz SYGYGKOEGSYKCN-YUMQZZPRSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[NH2+]C1 643497173 352970974 /nfs/dbraw/zinc/97/09/74/352970974.db2.gz KHCHROOVGBFAMH-GHMZBOCLSA-N 3 1 199.342 0.846 20 0 ACADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC[NH2+]C1 643497176 352970986 /nfs/dbraw/zinc/97/09/86/352970986.db2.gz KHCHROOVGBFAMH-WDEREUQCSA-N 3 1 199.342 0.846 20 0 ACADMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[NH2+]C1 643497174 352971317 /nfs/dbraw/zinc/97/13/17/352971317.db2.gz KHCHROOVGBFAMH-MNOVXSKESA-N 3 1 199.342 0.846 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] 643498613 352971903 /nfs/dbraw/zinc/97/19/03/352971903.db2.gz MCUAQTUEZSBJLZ-GHMZBOCLSA-N 3 1 199.342 0.703 20 0 ACADMP C[NH2+]CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] 643498614 352972285 /nfs/dbraw/zinc/97/22/85/352972285.db2.gz MCUAQTUEZSBJLZ-MNOVXSKESA-N 3 1 199.342 0.703 20 0 ACADMP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] 643499196 352972789 /nfs/dbraw/zinc/97/27/89/352972789.db2.gz GTHFQQNTASLMSL-QWRGUYRKSA-N 3 1 199.342 0.703 20 0 ACADMP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 643499195 352972813 /nfs/dbraw/zinc/97/28/13/352972813.db2.gz GTHFQQNTASLMSL-MNOVXSKESA-N 3 1 199.342 0.703 20 0 ACADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 643499197 352973159 /nfs/dbraw/zinc/97/31/59/352973159.db2.gz GTHFQQNTASLMSL-WDEREUQCSA-N 3 1 199.342 0.703 20 0 ACADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 643499194 352973264 /nfs/dbraw/zinc/97/32/64/352973264.db2.gz GTHFQQNTASLMSL-GHMZBOCLSA-N 3 1 199.342 0.703 20 0 ACADMP CC[C@@H]([NH2+]CC[NH2+]C)C1CC1 643504428 352974688 /nfs/dbraw/zinc/97/46/88/352974688.db2.gz JNLWCXSCWFLLNZ-SECBINFHSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CCN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 643504441 352975080 /nfs/dbraw/zinc/97/50/80/352975080.db2.gz MBFPFQXEYHGCRU-ZJUUUORDSA-N 2 1 197.326 0.421 20 0 ACADMP C[NH2+]CCN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 643504440 352975195 /nfs/dbraw/zinc/97/51/95/352975195.db2.gz MBFPFQXEYHGCRU-VHSXEESVSA-N 2 1 197.326 0.421 20 0 ACADMP C[NH2+]CCN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 643504438 352975227 /nfs/dbraw/zinc/97/52/27/352975227.db2.gz MBFPFQXEYHGCRU-NXEZZACHSA-N 2 1 197.326 0.421 20 0 ACADMP CC[C@H]([NH2+]CC[NH2+]C)C1CC1 643504429 352975260 /nfs/dbraw/zinc/97/52/60/352975260.db2.gz JNLWCXSCWFLLNZ-VIFPVBQESA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CCN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 643504439 352975269 /nfs/dbraw/zinc/97/52/69/352975269.db2.gz MBFPFQXEYHGCRU-UWVGGRQHSA-N 2 1 197.326 0.421 20 0 ACADMP C[NH2+]CCN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C 643504481 352975713 /nfs/dbraw/zinc/97/57/13/352975713.db2.gz WXGJMIWTQTZNCX-GXSJLCMTSA-N 2 1 197.326 0.278 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](OC)C1 643504581 352975808 /nfs/dbraw/zinc/97/58/08/352975808.db2.gz KVPSFCVDJRSFTI-ZJUUUORDSA-N 2 1 186.299 0.753 20 0 ACADMP CC[C@@H]1CC[C@H]1[NH2+]CC[NH2+]C 643504571 352975818 /nfs/dbraw/zinc/97/58/18/352975818.db2.gz JJEAYWJMLJZCPB-RKDXNWHRSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](OC)C1 643504578 352975946 /nfs/dbraw/zinc/97/59/46/352975946.db2.gz KVPSFCVDJRSFTI-NXEZZACHSA-N 2 1 186.299 0.753 20 0 ACADMP C[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@@H]1C 643504484 352975953 /nfs/dbraw/zinc/97/59/53/352975953.db2.gz WXGJMIWTQTZNCX-ONGXEEELSA-N 2 1 197.326 0.278 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](OC)C1 643504580 352975993 /nfs/dbraw/zinc/97/59/93/352975993.db2.gz KVPSFCVDJRSFTI-VHSXEESVSA-N 2 1 186.299 0.753 20 0 ACADMP CC[C@H]1CC[C@@H]1[NH2+]CC[NH2+]C 643504570 352976030 /nfs/dbraw/zinc/97/60/30/352976030.db2.gz JJEAYWJMLJZCPB-IUCAKERBSA-N 2 1 156.273 0.984 20 0 ACADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH2+]C 643504568 352976089 /nfs/dbraw/zinc/97/60/89/352976089.db2.gz JJEAYWJMLJZCPB-BDAKNGLRSA-N 2 1 156.273 0.984 20 0 ACADMP CC[C@H]1CC[C@H]1[NH2+]CC[NH2+]C 643504569 352976122 /nfs/dbraw/zinc/97/61/22/352976122.db2.gz JJEAYWJMLJZCPB-DTWKUNHWSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CCN[C@H]1C[N@H+](C2CC2)C[C@H]1C 643504482 352976207 /nfs/dbraw/zinc/97/62/07/352976207.db2.gz WXGJMIWTQTZNCX-KOLCDFICSA-N 2 1 197.326 0.278 20 0 ACADMP CC[NH2+]CC[NH2+][C@@H](COC)C(C)C 643505261 352978055 /nfs/dbraw/zinc/97/80/55/352978055.db2.gz XAFCKEVFNJUMPT-JTQLQIEISA-N 2 1 188.315 0.857 20 0 ACADMP CC[NH2+]CC[NH2+][C@H](COC)C(C)C 643505262 352978202 /nfs/dbraw/zinc/97/82/02/352978202.db2.gz XAFCKEVFNJUMPT-SNVBAGLBSA-N 2 1 188.315 0.857 20 0 ACADMP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 643505728 352978719 /nfs/dbraw/zinc/97/87/19/352978719.db2.gz YLKVGWMWNOWFJJ-AEJSXWLSSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 643505731 352978827 /nfs/dbraw/zinc/97/88/27/352978827.db2.gz YLKVGWMWNOWFJJ-OPRDCNLKSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 643505730 352978900 /nfs/dbraw/zinc/97/89/00/352978900.db2.gz YLKVGWMWNOWFJJ-IVZWLZJFSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 643505729 352978918 /nfs/dbraw/zinc/97/89/18/352978918.db2.gz YLKVGWMWNOWFJJ-BBBLOLIVSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@H](CCCC[NH3+])NC[C@H]1CCC[NH2+]1 643506182 352979771 /nfs/dbraw/zinc/97/97/71/352979771.db2.gz NGWAUVVKZRXTSW-GHMZBOCLSA-N 2 1 199.342 0.846 20 0 ACADMP C[C@@H](CCCC[NH3+])NC[C@H]1CCC[NH2+]1 643506185 352979842 /nfs/dbraw/zinc/97/98/42/352979842.db2.gz NGWAUVVKZRXTSW-WDEREUQCSA-N 2 1 199.342 0.846 20 0 ACADMP C[C@@H](CCCC[NH3+])NC[C@@H]1CCC[NH2+]1 643506184 352979959 /nfs/dbraw/zinc/97/99/59/352979959.db2.gz NGWAUVVKZRXTSW-QWRGUYRKSA-N 2 1 199.342 0.846 20 0 ACADMP C[C@H](CCCC[NH3+])NC[C@@H]1CCC[NH2+]1 643506183 352980388 /nfs/dbraw/zinc/98/03/88/352980388.db2.gz NGWAUVVKZRXTSW-MNOVXSKESA-N 2 1 199.342 0.846 20 0 ACADMP C[C@@H](CCCC[NH3+])[NH2+]CC[NH2+]C1CC1 643508131 352980553 /nfs/dbraw/zinc/98/05/53/352980553.db2.gz MYMCQGYPXAHHSK-JTQLQIEISA-N 3 1 199.342 0.846 20 0 ACADMP C[C@H](CCCC[NH3+])[NH2+]CC[NH2+]C1CC1 643508132 352980658 /nfs/dbraw/zinc/98/06/58/352980658.db2.gz MYMCQGYPXAHHSK-SNVBAGLBSA-N 3 1 199.342 0.846 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643521167 352991687 /nfs/dbraw/zinc/99/16/87/352991687.db2.gz MMWDPJVIZRSXBO-GMTAPVOTSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CC[C@H]1C 643521169 352991774 /nfs/dbraw/zinc/99/17/74/352991774.db2.gz MMWDPJVIZRSXBO-MXWKQRLJSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H](C)CCC[NH3+] 643521168 352991883 /nfs/dbraw/zinc/99/18/83/352991883.db2.gz MMWDPJVIZRSXBO-HBNTYKKESA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H](C)CCC[NH3+] 643521166 352991938 /nfs/dbraw/zinc/99/19/38/352991938.db2.gz MMWDPJVIZRSXBO-AXFHLTTASA-N 3 1 199.342 0.701 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@H](C)OC 643529897 352997379 /nfs/dbraw/zinc/99/73/79/352997379.db2.gz UVPHSBAELDSMIM-BBBLOLIVSA-N 2 1 188.315 0.997 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@@H](C)OC 643529898 352997493 /nfs/dbraw/zinc/99/74/93/352997493.db2.gz UVPHSBAELDSMIM-KXUCPTDWSA-N 2 1 188.315 0.997 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+][C@@H](C)[C@H](C)OC 643529900 352997524 /nfs/dbraw/zinc/99/75/24/352997524.db2.gz UVPHSBAELDSMIM-UTLUCORTSA-N 2 1 188.315 0.997 20 0 ACADMP CC[NH2+][C@H](C)C[NH2+][C@H](C)[C@@H](C)OC 643529899 352997534 /nfs/dbraw/zinc/99/75/34/352997534.db2.gz UVPHSBAELDSMIM-OPRDCNLKSA-N 2 1 188.315 0.997 20 0 ACADMP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(N)=O 643895126 353008721 /nfs/dbraw/zinc/00/87/21/353008721.db2.gz XNKHNNPTEVRCFK-IWSPIJDZSA-N 2 1 199.298 0.110 20 0 ACADMP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(N)=O 643895125 353009034 /nfs/dbraw/zinc/00/90/34/353009034.db2.gz XNKHNNPTEVRCFK-HRDYMLBCSA-N 2 1 199.298 0.110 20 0 ACADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH3+] 19272271 371624021 /nfs/dbraw/zinc/62/40/21/371624021.db2.gz KEDJCXIQWLOGKO-NSHDSACASA-N 2 1 194.278 0.438 20 0 ACADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH3+] 19272273 371624316 /nfs/dbraw/zinc/62/43/16/371624316.db2.gz KEDJCXIQWLOGKO-LLVKDONJSA-N 2 1 194.278 0.438 20 0 ACADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CCCO1 61934359 371641328 /nfs/dbraw/zinc/64/13/28/371641328.db2.gz CMSWRXUZEBCQIQ-SECBINFHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CCCO1 61934359 371641333 /nfs/dbraw/zinc/64/13/33/371641333.db2.gz CMSWRXUZEBCQIQ-SECBINFHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]1C[N@@H+](CC[NH3+])C[C@@H]1C 86008348 371651838 /nfs/dbraw/zinc/65/18/38/371651838.db2.gz KWIXUBQUGJYLIS-OCAPTIKFSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@@H]1C[N@H+](CC[NH3+])C[C@@H]1C 86008348 371651850 /nfs/dbraw/zinc/65/18/50/371651850.db2.gz KWIXUBQUGJYLIS-OCAPTIKFSA-N 2 1 142.246 0.533 20 0 ACADMP C[C@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 166810227 371681795 /nfs/dbraw/zinc/68/17/95/371681795.db2.gz KDFNUYZNUATKJI-DJLDLDEBSA-N 2 1 154.257 0.594 20 0 ACADMP C[C@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 166810426 371681871 /nfs/dbraw/zinc/68/18/71/371681871.db2.gz KDFNUYZNUATKJI-XHNCKOQMSA-N 2 1 154.257 0.594 20 0 ACADMP CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 205042069 371705786 /nfs/dbraw/zinc/70/57/86/371705786.db2.gz QJPWMYOOXIVHFE-JGVFFNPUSA-N 2 1 142.246 0.675 20 0 ACADMP C[N@H+]1CCCN([C@H]2CCC[C@@H]2[NH3+])CC1 238856196 371731374 /nfs/dbraw/zinc/73/13/74/371731374.db2.gz VHYJFJACQXFBDM-QWRGUYRKSA-N 2 1 197.326 0.504 20 0 in-vitro ACADMP C[N@H+]1CCCN([C@@H]2CCC[C@H]2[NH3+])CC1 238856194 371731468 /nfs/dbraw/zinc/73/14/68/371731468.db2.gz VHYJFJACQXFBDM-GHMZBOCLSA-N 2 1 197.326 0.504 20 0 in-vitro ACADMP C[N@H+]1CCCN([C@H]2CCC[C@H]2[NH3+])CC1 238856195 371731586 /nfs/dbraw/zinc/73/15/86/371731586.db2.gz VHYJFJACQXFBDM-MNOVXSKESA-N 2 1 197.326 0.504 20 0 in-vitro ACADMP C[C@@]1(C[N@H+]2CC[C@H](CO)C2)CC[NH2+]C1 306510396 371758864 /nfs/dbraw/zinc/75/88/64/371758864.db2.gz KYVAIGYUUUYQKE-WDEREUQCSA-N 2 1 198.310 0.300 20 0 ACADMP CC[C@H]([NH2+]CC[NH3+])[C@H]1C[C@@H]1C 321980091 371790450 /nfs/dbraw/zinc/79/04/50/371790450.db2.gz CJKXXMYTSDRLOK-CIUDSAMLSA-N 2 1 156.273 0.969 20 0 ACADMP CC[C@H]([NH2+]CC[NH3+])[C@@H]1C[C@@H]1C 321980094 371790746 /nfs/dbraw/zinc/79/07/46/371790746.db2.gz CJKXXMYTSDRLOK-YIZRAAEISA-N 2 1 156.273 0.969 20 0 ACADMP CC[C@H]([NH2+]CC[NH3+])[C@H]1C[C@H]1C 321980093 371791105 /nfs/dbraw/zinc/79/11/05/371791105.db2.gz CJKXXMYTSDRLOK-VGMNWLOBSA-N 2 1 156.273 0.969 20 0 ACADMP CC[C@H]([NH2+]CC[NH3+])[C@@H]1C[C@H]1C 321980092 371791158 /nfs/dbraw/zinc/79/11/58/371791158.db2.gz CJKXXMYTSDRLOK-HLTSFMKQSA-N 2 1 156.273 0.969 20 0 ACADMP CC(C)[C@@H]([NH2+]CC[NH3+])C1CC1 323978321 371793869 /nfs/dbraw/zinc/79/38/69/371793869.db2.gz BTUQUITZLRRLPS-SECBINFHSA-N 2 1 156.273 0.969 20 0 ACADMP CC(C)[C@H]([NH2+]CC[NH3+])C1CC1 323978323 371794839 /nfs/dbraw/zinc/79/48/39/371794839.db2.gz BTUQUITZLRRLPS-VIFPVBQESA-N 2 1 156.273 0.969 20 0 ACADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)O 644526297 371881952 /nfs/dbraw/zinc/88/19/52/371881952.db2.gz ZZRWTASUGLFWSP-SECBINFHSA-N 2 1 197.282 0.552 20 0 ACADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)O 644526298 371882859 /nfs/dbraw/zinc/88/28/59/371882859.db2.gz ZZRWTASUGLFWSP-VIFPVBQESA-N 2 1 197.282 0.552 20 0 ACADMP C[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 644619215 371889816 /nfs/dbraw/zinc/88/98/16/371889816.db2.gz ZGNWGOBQDPJTHI-UWVGGRQHSA-N 2 1 198.310 0.607 20 0 ACADMP C[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 644619214 371889921 /nfs/dbraw/zinc/88/99/21/371889921.db2.gz ZGNWGOBQDPJTHI-NXEZZACHSA-N 2 1 198.310 0.607 20 0 ACADMP C[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 644619216 371890199 /nfs/dbraw/zinc/89/01/99/371890199.db2.gz ZGNWGOBQDPJTHI-VHSXEESVSA-N 2 1 198.310 0.607 20 0 ACADMP C[C@H]([NH2+]C[C@@H](C)O)C1=CC[N@@H+](C)CC1 644619217 371890213 /nfs/dbraw/zinc/89/02/13/371890213.db2.gz ZGNWGOBQDPJTHI-ZJUUUORDSA-N 2 1 198.310 0.607 20 0 ACADMP CC[N@@H+](CCn1ccnc1)[C@H](C)CO 644705846 371901266 /nfs/dbraw/zinc/90/12/66/371901266.db2.gz ABKYPKRVHAJVEN-SNVBAGLBSA-N 2 1 197.282 0.586 20 0 ACADMP C[C@@H]1CCCC[N@H+]1CCOCC[NH3+] 32007941 375293065 /nfs/dbraw/zinc/29/30/65/375293065.db2.gz CKCQURBMSKZCLY-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP C[C@H]1CCCC[N@H+]1CCOCC[NH3+] 32007943 375292739 /nfs/dbraw/zinc/29/27/39/375292739.db2.gz CKCQURBMSKZCLY-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCOCC[NH3+])C1 32007945 375292977 /nfs/dbraw/zinc/29/29/77/375292977.db2.gz HWJHWFYQMUKIJV-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP C[C@H]1CCC[N@@H+](CCOCC[NH3+])C1 32007947 375293200 /nfs/dbraw/zinc/29/32/00/375293200.db2.gz HWJHWFYQMUKIJV-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP C[C@@H]1CSCC[N@H+]1CCC[NH3+] 70534723 375332811 /nfs/dbraw/zinc/33/28/11/375332811.db2.gz IYDXINJBEIWIPK-MRVPVSSYSA-N 2 1 174.313 0.773 20 0 ACADMP C[C@H]1CSCC[N@H+]1CCC[NH3+] 70534724 375333389 /nfs/dbraw/zinc/33/33/89/375333389.db2.gz IYDXINJBEIWIPK-QMMMGPOBSA-N 2 1 174.313 0.773 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 70558176 375334121 /nfs/dbraw/zinc/33/41/21/375334121.db2.gz BLQWWQLQTGAZSU-WDEREUQCSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 70558175 375334236 /nfs/dbraw/zinc/33/42/36/375334236.db2.gz BLQWWQLQTGAZSU-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+][C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 70586172 375334302 /nfs/dbraw/zinc/33/43/02/375334302.db2.gz BTZDQIKWHUCMLA-QWRGUYRKSA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+][C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 70586172 375334307 /nfs/dbraw/zinc/33/43/07/375334307.db2.gz BTZDQIKWHUCMLA-QWRGUYRKSA-N 2 1 198.310 0.979 20 0 ACADMP C[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 70558152 375334751 /nfs/dbraw/zinc/33/47/51/375334751.db2.gz CZLFPWNCHGCRFZ-LLVKDONJSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 70558152 375334756 /nfs/dbraw/zinc/33/47/56/375334756.db2.gz CZLFPWNCHGCRFZ-LLVKDONJSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CC[N@H+](CC2CCOCC2)C1 70558153 375334922 /nfs/dbraw/zinc/33/49/22/375334922.db2.gz CZLFPWNCHGCRFZ-NSHDSACASA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+][C@H]1CC[N@@H+](CC2CCOCC2)C1 70558153 375334927 /nfs/dbraw/zinc/33/49/27/375334927.db2.gz CZLFPWNCHGCRFZ-NSHDSACASA-N 2 1 198.310 0.707 20 0 ACADMP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 70586173 375334976 /nfs/dbraw/zinc/33/49/76/375334976.db2.gz BTZDQIKWHUCMLA-MNOVXSKESA-N 2 1 198.310 0.979 20 0 ACADMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 70586173 375334983 /nfs/dbraw/zinc/33/49/83/375334983.db2.gz BTZDQIKWHUCMLA-MNOVXSKESA-N 2 1 198.310 0.979 20 0 ACADMP CC[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 70968127 375340622 /nfs/dbraw/zinc/34/06/22/375340622.db2.gz YUIHWBCUHWJATN-LLVKDONJSA-N 2 1 198.310 0.849 20 0 ACADMP CC[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 70968129 375340641 /nfs/dbraw/zinc/34/06/41/375340641.db2.gz YUIHWBCUHWJATN-NSHDSACASA-N 2 1 198.310 0.849 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 70965433 375340880 /nfs/dbraw/zinc/34/08/80/375340880.db2.gz MWIBJYPGNBDUBQ-JTQLQIEISA-N 2 1 184.283 0.459 20 0 ACADMP C[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 70965431 375340920 /nfs/dbraw/zinc/34/09/20/375340920.db2.gz MWIBJYPGNBDUBQ-SNVBAGLBSA-N 2 1 184.283 0.459 20 0 ACADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C1 80457025 375351032 /nfs/dbraw/zinc/35/10/32/375351032.db2.gz VSMNWNHXNIBYEH-HTQZYQBOSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@H]1CC[C@@H]([NH2+]CC[NH3+])C1 80457028 375351120 /nfs/dbraw/zinc/35/11/20/375351120.db2.gz VSMNWNHXNIBYEH-JGVFFNPUSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@H]1CC[C@H]([NH2+]CC[NH3+])C1 80457021 375351239 /nfs/dbraw/zinc/35/12/39/375351239.db2.gz VSMNWNHXNIBYEH-YUMQZZPRSA-N 2 1 142.246 0.723 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+]CC2CCOCC2)C1 82544209 375364963 /nfs/dbraw/zinc/36/49/63/375364963.db2.gz GLPWDFYYLCLSFW-LLVKDONJSA-N 2 1 198.310 0.755 20 0 ACADMP C[C@@H]1CCC[C@H]1[NH2+]CC[NH3+] 83390580 375375358 /nfs/dbraw/zinc/37/53/58/375375358.db2.gz PMTZVXIZBOYULL-HTQZYQBOSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@H]1CCC[C@H]1[NH2+]CC[NH3+] 83390581 375375404 /nfs/dbraw/zinc/37/54/04/375375404.db2.gz PMTZVXIZBOYULL-JGVFFNPUSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@H]1CCC[C@@H]1[NH2+]CC[NH3+] 83390579 375375702 /nfs/dbraw/zinc/37/57/02/375375702.db2.gz PMTZVXIZBOYULL-YUMQZZPRSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH3+] 83390578 375375877 /nfs/dbraw/zinc/37/58/77/375375877.db2.gz PMTZVXIZBOYULL-SFYZADRCSA-N 2 1 142.246 0.723 20 0 ACADMP [NH3+]C[C@H]1C[N@H+](CC2CCC2)CCO1 83838121 375382162 /nfs/dbraw/zinc/38/21/62/375382162.db2.gz UHCDHRZUTHBJFH-JTQLQIEISA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@H]1C[N@@H+](CC2CCC2)CCO1 83838121 375382167 /nfs/dbraw/zinc/38/21/67/375382167.db2.gz UHCDHRZUTHBJFH-JTQLQIEISA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@@H]1C[N@H+](CC2CCC2)CCO1 83838119 375383560 /nfs/dbraw/zinc/38/35/60/375383560.db2.gz UHCDHRZUTHBJFH-SNVBAGLBSA-N 2 1 184.283 0.446 20 0 ACADMP [NH3+]C[C@@H]1C[N@@H+](CC2CCC2)CCO1 83838119 375383566 /nfs/dbraw/zinc/38/35/66/375383566.db2.gz UHCDHRZUTHBJFH-SNVBAGLBSA-N 2 1 184.283 0.446 20 0 ACADMP c1ccc(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 306323567 375444936 /nfs/dbraw/zinc/44/49/36/375444936.db2.gz VLTTVCCEGQZYMB-GDNZZTSVSA-N 2 1 188.274 0.994 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](CO)C1 306507852 375450849 /nfs/dbraw/zinc/45/08/49/375450849.db2.gz ZKQZUKGUSAKKSA-MRVPVSSYSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1[NH3+] 307137721 375466104 /nfs/dbraw/zinc/46/61/04/375466104.db2.gz XTHSEPRKMPOJMT-MWLCHTKSSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1N 307137721 375466108 /nfs/dbraw/zinc/46/61/08/375466108.db2.gz XTHSEPRKMPOJMT-MWLCHTKSSA-N 2 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1N 307137721 375466111 /nfs/dbraw/zinc/46/61/11/375466111.db2.gz XTHSEPRKMPOJMT-MWLCHTKSSA-N 2 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCOCC1 307338257 375468083 /nfs/dbraw/zinc/46/80/83/375468083.db2.gz SHJOEGCYOXWHPX-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCOCC1 307338257 375468079 /nfs/dbraw/zinc/46/80/79/375468079.db2.gz SHJOEGCYOXWHPX-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCOCC1 307338252 375468101 /nfs/dbraw/zinc/46/81/01/375468101.db2.gz SHJOEGCYOXWHPX-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CCOCC1 307338252 375468103 /nfs/dbraw/zinc/46/81/03/375468103.db2.gz SHJOEGCYOXWHPX-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCOCC1 307338247 375468143 /nfs/dbraw/zinc/46/81/43/375468143.db2.gz SHJOEGCYOXWHPX-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCOCC1 307338247 375468147 /nfs/dbraw/zinc/46/81/47/375468147.db2.gz SHJOEGCYOXWHPX-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCOCC1 307338263 375468249 /nfs/dbraw/zinc/46/82/49/375468249.db2.gz SHJOEGCYOXWHPX-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CCOCC1 307338263 375468256 /nfs/dbraw/zinc/46/82/56/375468256.db2.gz SHJOEGCYOXWHPX-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]1C[N@H+](CCn2ccnc2)CCO1 336482212 375493843 /nfs/dbraw/zinc/49/38/43/375493843.db2.gz OWBSKSGSOPNVQK-SNVBAGLBSA-N 2 1 195.266 0.604 20 0 ACADMP C[C@@H]1C[N@@H+](CCn2ccnc2)CCO1 336482212 375493847 /nfs/dbraw/zinc/49/38/47/375493847.db2.gz OWBSKSGSOPNVQK-SNVBAGLBSA-N 2 1 195.266 0.604 20 0 ACADMP CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400343049 375503047 /nfs/dbraw/zinc/50/30/47/375503047.db2.gz HJQWNULWIWDZMF-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400329681 375502980 /nfs/dbraw/zinc/50/29/80/375502980.db2.gz CLFLSNHLVUBAFB-LPEHRKFASA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400329680 375502994 /nfs/dbraw/zinc/50/29/94/375502994.db2.gz CLFLSNHLVUBAFB-KXUCPTDWSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400329682 375503059 /nfs/dbraw/zinc/50/30/59/375503059.db2.gz CLFLSNHLVUBAFB-OPRDCNLKSA-N 2 1 186.299 0.487 20 0 ACADMP COCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400344918 375503833 /nfs/dbraw/zinc/50/38/33/375503833.db2.gz GTXJIUDBSQXRJC-BDAKNGLRSA-N 2 1 172.272 0.363 20 0 ACADMP CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400329678 375503306 /nfs/dbraw/zinc/50/33/06/375503306.db2.gz CLFLSNHLVUBAFB-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP CO[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400335285 375503324 /nfs/dbraw/zinc/50/33/24/375503324.db2.gz FDNHOBPNDJDPGR-OPRDCNLKSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@H](C)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400335280 375503347 /nfs/dbraw/zinc/50/33/47/375503347.db2.gz FDNHOBPNDJDPGR-BBBLOLIVSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400335283 375503370 /nfs/dbraw/zinc/50/33/70/375503370.db2.gz FDNHOBPNDJDPGR-KXUCPTDWSA-N 2 1 186.299 0.751 20 0 ACADMP COCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400344921 375503413 /nfs/dbraw/zinc/50/34/13/375503413.db2.gz GTXJIUDBSQXRJC-IUCAKERBSA-N 2 1 172.272 0.363 20 0 ACADMP COCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400344919 375503442 /nfs/dbraw/zinc/50/34/42/375503442.db2.gz GTXJIUDBSQXRJC-DTWKUNHWSA-N 2 1 172.272 0.363 20 0 ACADMP CO[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400335287 375503628 /nfs/dbraw/zinc/50/36/28/375503628.db2.gz FDNHOBPNDJDPGR-UTLUCORTSA-N 2 1 186.299 0.751 20 0 ACADMP CC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400343052 375503668 /nfs/dbraw/zinc/50/36/68/375503668.db2.gz HJQWNULWIWDZMF-LPEHRKFASA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400329675 375503685 /nfs/dbraw/zinc/50/36/85/375503685.db2.gz CLFLSNHLVUBAFB-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400329679 375503807 /nfs/dbraw/zinc/50/38/07/375503807.db2.gz CLFLSNHLVUBAFB-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400343053 375503882 /nfs/dbraw/zinc/50/38/82/375503882.db2.gz HJQWNULWIWDZMF-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400329676 375503898 /nfs/dbraw/zinc/50/38/98/375503898.db2.gz CLFLSNHLVUBAFB-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](CO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400329683 375503913 /nfs/dbraw/zinc/50/39/13/375503913.db2.gz CLFLSNHLVUBAFB-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400343051 375504083 /nfs/dbraw/zinc/50/40/83/375504083.db2.gz HJQWNULWIWDZMF-KXUCPTDWSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CCC[NH2+]1 400361520 375504679 /nfs/dbraw/zinc/50/46/79/375504679.db2.gz DGJGUYPLKXPIKR-UWVGGRQHSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@@H]1CCC[NH2+]1 400361522 375504740 /nfs/dbraw/zinc/50/47/40/375504740.db2.gz DGJGUYPLKXPIKR-ZJUUUORDSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@@H]([NH2+]CC1(O)CCC1)[C@H]1CCC[NH2+]1 400361519 375504904 /nfs/dbraw/zinc/50/49/04/375504904.db2.gz DGJGUYPLKXPIKR-NXEZZACHSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CCC[NH2+]1 400361521 375504947 /nfs/dbraw/zinc/50/49/47/375504947.db2.gz DGJGUYPLKXPIKR-VHSXEESVSA-N 2 1 198.310 0.632 20 0 ACADMP COCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400344923 375505255 /nfs/dbraw/zinc/50/52/55/375505255.db2.gz GTXJIUDBSQXRJC-RKDXNWHRSA-N 2 1 172.272 0.363 20 0 ACADMP C[C@H]([NH2+][C@H](C)CCO)[C@@H]1CCC[NH2+]1 400472351 375507521 /nfs/dbraw/zinc/50/75/21/375507521.db2.gz YLZVKSZVXKGGKC-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CCO)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400472350 375507907 /nfs/dbraw/zinc/50/79/07/375507907.db2.gz YLZVKSZVXKGGKC-OPRDCNLKSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H]([NH2+]CC1(CO)CC1)[C@H]1CCC[NH2+]1 400504363 375508052 /nfs/dbraw/zinc/50/80/52/375508052.db2.gz JKJMUVUNRBIMAQ-NXEZZACHSA-N 2 1 198.310 0.489 20 0 ACADMP C[C@H]([NH2+]CC1(CO)CC1)[C@@H]1CCC[NH2+]1 400504365 375508083 /nfs/dbraw/zinc/50/80/83/375508083.db2.gz JKJMUVUNRBIMAQ-UWVGGRQHSA-N 2 1 198.310 0.489 20 0 ACADMP C[C@H](CCO)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400472347 375508102 /nfs/dbraw/zinc/50/81/02/375508102.db2.gz YLZVKSZVXKGGKC-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]([NH2+][C@H](C)CCO)[C@H]1CCC[NH2+]1 400472349 375508143 /nfs/dbraw/zinc/50/81/43/375508143.db2.gz YLZVKSZVXKGGKC-KXUCPTDWSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H]([NH2+]CC1(CO)CC1)[C@@H]1CCC[NH2+]1 400504369 375508170 /nfs/dbraw/zinc/50/81/70/375508170.db2.gz JKJMUVUNRBIMAQ-ZJUUUORDSA-N 2 1 198.310 0.489 20 0 ACADMP C[C@H]([NH2+]CC1(CO)CC1)[C@H]1CCC[NH2+]1 400504368 375508184 /nfs/dbraw/zinc/50/81/84/375508184.db2.gz JKJMUVUNRBIMAQ-VHSXEESVSA-N 2 1 198.310 0.489 20 0 ACADMP C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 400548996 375509015 /nfs/dbraw/zinc/50/90/15/375509015.db2.gz WTVZQZXPAPXEOC-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP CCOCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400742907 375509058 /nfs/dbraw/zinc/50/90/58/375509058.db2.gz LLVJIQUFKZREOC-VHSXEESVSA-N 2 1 186.299 0.753 20 0 ACADMP CCOCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400742908 375509124 /nfs/dbraw/zinc/50/91/24/375509124.db2.gz LLVJIQUFKZREOC-ZJUUUORDSA-N 2 1 186.299 0.753 20 0 ACADMP CCOCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400742904 375509282 /nfs/dbraw/zinc/50/92/82/375509282.db2.gz LLVJIQUFKZREOC-UWVGGRQHSA-N 2 1 186.299 0.753 20 0 ACADMP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 400548997 375509392 /nfs/dbraw/zinc/50/93/92/375509392.db2.gz WTVZQZXPAPXEOC-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCC[NH2+]1 400548998 375509521 /nfs/dbraw/zinc/50/95/21/375509521.db2.gz WTVZQZXPAPXEOC-GARJFASQSA-N 2 1 198.310 0.896 20 0 ACADMP CCOCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400742900 375509661 /nfs/dbraw/zinc/50/96/61/375509661.db2.gz LLVJIQUFKZREOC-NXEZZACHSA-N 2 1 186.299 0.753 20 0 ACADMP C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCC[NH2+]1 400548999 375509745 /nfs/dbraw/zinc/50/97/45/375509745.db2.gz WTVZQZXPAPXEOC-HBNTYKKESA-N 2 1 198.310 0.896 20 0 ACADMP COC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400810514 375510615 /nfs/dbraw/zinc/51/06/15/375510615.db2.gz YCZBZIWTFLTVRE-LPEHRKFASA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400810513 375510700 /nfs/dbraw/zinc/51/07/00/375510700.db2.gz YCZBZIWTFLTVRE-IVZWLZJFSA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400810512 375510792 /nfs/dbraw/zinc/51/07/92/375510792.db2.gz YCZBZIWTFLTVRE-GUBZILKMSA-N 2 1 186.299 0.751 20 0 ACADMP COC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400810511 375511178 /nfs/dbraw/zinc/51/11/78/375511178.db2.gz YCZBZIWTFLTVRE-AEJSXWLSSA-N 2 1 186.299 0.751 20 0 ACADMP C[NH2+]CCCO[C@@H](C)Cc1[nH]cc[nH+]1 646070921 375573637 /nfs/dbraw/zinc/57/36/37/375573637.db2.gz VJGVCZUUSXCPLN-VIFPVBQESA-N 2 1 197.282 0.967 20 0 ACADMP C[NH2+]CCCO[C@H](C)Cc1[nH]cc[nH+]1 646070920 375574085 /nfs/dbraw/zinc/57/40/85/375574085.db2.gz VJGVCZUUSXCPLN-SECBINFHSA-N 2 1 197.282 0.967 20 0 ACADMP CC(C)[C@H](c1nc(C[NH3+])no1)[C@@H](C)[NH3+] 647159332 375623767 /nfs/dbraw/zinc/62/37/67/375623767.db2.gz CFYSTDZEHARHTN-SVRRBLITSA-N 2 1 198.270 0.615 20 0 ACADMP CC(C)[C@@H](c1nc(C[NH3+])no1)[C@H](C)[NH3+] 647159331 375624000 /nfs/dbraw/zinc/62/40/00/375624000.db2.gz CFYSTDZEHARHTN-POYBYMJQSA-N 2 1 198.270 0.615 20 0 ACADMP CC(C)[C@@H](c1nc(C[NH3+])no1)[C@@H](C)[NH3+] 647159330 375624233 /nfs/dbraw/zinc/62/42/33/375624233.db2.gz CFYSTDZEHARHTN-HTRCEHHLSA-N 2 1 198.270 0.615 20 0 ACADMP CC(C)[C@H](c1nc(C[NH3+])no1)[C@H](C)[NH3+] 647159333 375624284 /nfs/dbraw/zinc/62/42/84/375624284.db2.gz CFYSTDZEHARHTN-XPUUQOCRSA-N 2 1 198.270 0.615 20 0 ACADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](N)C2)CC[NH2+]1 647481062 375646284 /nfs/dbraw/zinc/64/62/84/375646284.db2.gz YWGWUOFTCHTSMI-OUAUKWLOSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481062 375646287 /nfs/dbraw/zinc/64/62/87/375646287.db2.gz YWGWUOFTCHTSMI-OUAUKWLOSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481062 375646290 /nfs/dbraw/zinc/64/62/90/375646290.db2.gz YWGWUOFTCHTSMI-OUAUKWLOSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](CN2CC[NH2+]CC2)CC[NH2+]1 647478851 375646417 /nfs/dbraw/zinc/64/64/17/375646417.db2.gz QMRSGISTNAFIAU-GHMZBOCLSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)C2)CC[NH2+]1 647481060 375646505 /nfs/dbraw/zinc/64/65/05/375646505.db2.gz YWGWUOFTCHTSMI-GMTAPVOTSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481060 375646507 /nfs/dbraw/zinc/64/65/07/375646507.db2.gz YWGWUOFTCHTSMI-GMTAPVOTSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481060 375646509 /nfs/dbraw/zinc/64/65/09/375646509.db2.gz YWGWUOFTCHTSMI-GMTAPVOTSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H](N)C2)CC[NH2+]1 647481059 375646529 /nfs/dbraw/zinc/64/65/29/375646529.db2.gz YWGWUOFTCHTSMI-GARJFASQSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481059 375646532 /nfs/dbraw/zinc/64/65/32/375646532.db2.gz YWGWUOFTCHTSMI-GARJFASQSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481059 375646533 /nfs/dbraw/zinc/64/65/33/375646533.db2.gz YWGWUOFTCHTSMI-GARJFASQSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H](CN2CC[NH2+]CC2)CC[NH2+]1 647478854 375646567 /nfs/dbraw/zinc/64/65/67/375646567.db2.gz QMRSGISTNAFIAU-WDEREUQCSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@@H]1C[C@@H](CN2CC[NH2+]CC2)CC[NH2+]1 647478852 375646577 /nfs/dbraw/zinc/64/65/77/375646577.db2.gz QMRSGISTNAFIAU-MNOVXSKESA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[C@@H](CN2CC[NH2+]CC2)CC[NH2+]1 647478853 375646735 /nfs/dbraw/zinc/64/67/35/375646735.db2.gz QMRSGISTNAFIAU-QWRGUYRKSA-N 2 1 197.326 0.280 20 0 ACADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H](N)C2)CC[NH2+]1 647481061 375646750 /nfs/dbraw/zinc/64/67/50/375646750.db2.gz YWGWUOFTCHTSMI-HBNTYKKESA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481061 375646754 /nfs/dbraw/zinc/64/67/54/375646754.db2.gz YWGWUOFTCHTSMI-HBNTYKKESA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)CC[NH2+]1 647481061 375646756 /nfs/dbraw/zinc/64/67/56/375646756.db2.gz YWGWUOFTCHTSMI-HBNTYKKESA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H](C[N@H+]2CC[C@H](N)C2)CC[NH2+]1 647486753 375647401 /nfs/dbraw/zinc/64/74/01/375647401.db2.gz YWGWUOFTCHTSMI-AXFHLTTASA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486753 375647407 /nfs/dbraw/zinc/64/74/07/375647407.db2.gz YWGWUOFTCHTSMI-AXFHLTTASA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486753 375647411 /nfs/dbraw/zinc/64/74/11/375647411.db2.gz YWGWUOFTCHTSMI-AXFHLTTASA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](C[N@H+](C)[C@H](C)CN)CC[NH2+]1 647496016 375647485 /nfs/dbraw/zinc/64/74/85/375647485.db2.gz BVURKWRYVZFAGB-MXWKQRLJSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H]1C[C@@H](CN(C)[C@H](C)C[NH3+])CC[NH2+]1 647496016 375647487 /nfs/dbraw/zinc/64/74/87/375647487.db2.gz BVURKWRYVZFAGB-MXWKQRLJSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@H](N)C2)CC[NH2+]1 647486754 375647501 /nfs/dbraw/zinc/64/75/01/375647501.db2.gz YWGWUOFTCHTSMI-DCAQKATOSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486754 375647504 /nfs/dbraw/zinc/64/75/04/375647504.db2.gz YWGWUOFTCHTSMI-DCAQKATOSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486754 375647508 /nfs/dbraw/zinc/64/75/08/375647508.db2.gz YWGWUOFTCHTSMI-DCAQKATOSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H](CN)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 647496018 375648047 /nfs/dbraw/zinc/64/80/47/375648047.db2.gz BVURKWRYVZFAGB-VWYCJHECSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H](C[NH3+])N(C)C[C@H]1CC[NH2+][C@H](C)C1 647496018 375648052 /nfs/dbraw/zinc/64/80/52/375648052.db2.gz BVURKWRYVZFAGB-VWYCJHECSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](N)C2)CC[NH2+]1 647486756 375648061 /nfs/dbraw/zinc/64/80/61/375648061.db2.gz YWGWUOFTCHTSMI-VWYCJHECSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486756 375648064 /nfs/dbraw/zinc/64/80/64/375648064.db2.gz YWGWUOFTCHTSMI-VWYCJHECSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486756 375648068 /nfs/dbraw/zinc/64/80/68/375648068.db2.gz YWGWUOFTCHTSMI-VWYCJHECSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H](CN)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 647496017 375648186 /nfs/dbraw/zinc/64/81/86/375648186.db2.gz BVURKWRYVZFAGB-OUAUKWLOSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H](C[NH3+])N(C)C[C@@H]1CC[NH2+][C@H](C)C1 647496017 375648189 /nfs/dbraw/zinc/64/81/89/375648189.db2.gz BVURKWRYVZFAGB-OUAUKWLOSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)C2)CC[NH2+]1 647486755 375648244 /nfs/dbraw/zinc/64/82/44/375648244.db2.gz YWGWUOFTCHTSMI-MXWKQRLJSA-N 2 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486755 375648245 /nfs/dbraw/zinc/64/82/45/375648245.db2.gz YWGWUOFTCHTSMI-MXWKQRLJSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]([NH3+])C2)CC[NH2+]1 647486755 375648250 /nfs/dbraw/zinc/64/82/50/375648250.db2.gz YWGWUOFTCHTSMI-MXWKQRLJSA-N 3 1 197.326 0.408 20 0 ACADMP C[C@@H]1C[C@H](C[N@H+](C)[C@H](C)CN)CC[NH2+]1 647496015 375648269 /nfs/dbraw/zinc/64/82/69/375648269.db2.gz BVURKWRYVZFAGB-GMTAPVOTSA-N 2 1 199.342 0.654 20 0 ACADMP C[C@@H]1C[C@H](CN(C)[C@H](C)C[NH3+])CC[NH2+]1 647496015 375648273 /nfs/dbraw/zinc/64/82/73/375648273.db2.gz BVURKWRYVZFAGB-GMTAPVOTSA-N 2 1 199.342 0.654 20 0 ACADMP [NH3+]CCC[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 647511872 375648608 /nfs/dbraw/zinc/64/86/08/375648608.db2.gz OFFJOXNPNFNZOK-HBNTYKKESA-N 3 1 197.326 0.394 20 0 ACADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCC[NH3+])CC[NH2+]1 647497028 375648642 /nfs/dbraw/zinc/64/86/42/375648642.db2.gz WXCGFTKWKLCKLO-MNOVXSKESA-N 3 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC[NH3+])C1 647509966 375648706 /nfs/dbraw/zinc/64/87/06/375648706.db2.gz PGUSNVBWRKWCIQ-IUCAKERBSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@H]([NH3+])[C@H]1CCN(CCC[NH3+])C1 647509966 375648709 /nfs/dbraw/zinc/64/87/09/375648709.db2.gz PGUSNVBWRKWCIQ-IUCAKERBSA-N 2 1 171.288 0.004 20 0 ACADMP [NH3+]CCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 647511869 375648794 /nfs/dbraw/zinc/64/87/94/375648794.db2.gz OFFJOXNPNFNZOK-AXFHLTTASA-N 3 1 197.326 0.394 20 0 ACADMP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC[NH3+] 647505936 375648841 /nfs/dbraw/zinc/64/88/41/375648841.db2.gz RJQDZTSSYZIQLP-SNVBAGLBSA-N 3 1 187.331 0.640 20 0 ACADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC[NH3+] 647505936 375648847 /nfs/dbraw/zinc/64/88/47/375648847.db2.gz RJQDZTSSYZIQLP-SNVBAGLBSA-N 3 1 187.331 0.640 20 0 ACADMP C[C@H]1C[C@H](C[N@@H+](C)CCC[NH3+])CC[NH2+]1 647497030 375648909 /nfs/dbraw/zinc/64/89/09/375648909.db2.gz WXCGFTKWKLCKLO-WDEREUQCSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC[NH3+])C1 647509965 375648941 /nfs/dbraw/zinc/64/89/41/375648941.db2.gz PGUSNVBWRKWCIQ-DTWKUNHWSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CCN(CCC[NH3+])C1 647509965 375648947 /nfs/dbraw/zinc/64/89/47/375648947.db2.gz PGUSNVBWRKWCIQ-DTWKUNHWSA-N 2 1 171.288 0.004 20 0 ACADMP C[C@@H]1C[C@H](C[N@@H+](C)CCC[NH3+])CC[NH2+]1 647497027 375649051 /nfs/dbraw/zinc/64/90/51/375649051.db2.gz WXCGFTKWKLCKLO-GHMZBOCLSA-N 3 1 199.342 0.655 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC[NH3+])C1 647509967 375649133 /nfs/dbraw/zinc/64/91/33/375649133.db2.gz PGUSNVBWRKWCIQ-RKDXNWHRSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1CCN(CCC[NH3+])C1 647509967 375649136 /nfs/dbraw/zinc/64/91/36/375649136.db2.gz PGUSNVBWRKWCIQ-RKDXNWHRSA-N 2 1 171.288 0.004 20 0 ACADMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 647511871 375649211 /nfs/dbraw/zinc/64/92/11/375649211.db2.gz OFFJOXNPNFNZOK-GARJFASQSA-N 3 1 197.326 0.394 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC[NH3+])C1 647509964 375649334 /nfs/dbraw/zinc/64/93/34/375649334.db2.gz PGUSNVBWRKWCIQ-BDAKNGLRSA-N 3 1 171.288 0.004 20 0 ACADMP C[C@@H]([NH3+])[C@H]1CCN(CCC[NH3+])C1 647509964 375649342 /nfs/dbraw/zinc/64/93/42/375649342.db2.gz PGUSNVBWRKWCIQ-BDAKNGLRSA-N 2 1 171.288 0.004 20 0 ACADMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 647511870 375649488 /nfs/dbraw/zinc/64/94/88/375649488.db2.gz OFFJOXNPNFNZOK-DCAQKATOSA-N 3 1 197.326 0.394 20 0 ACADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC[NH3+] 647505935 375649623 /nfs/dbraw/zinc/64/96/23/375649623.db2.gz RJQDZTSSYZIQLP-JTQLQIEISA-N 3 1 187.331 0.640 20 0 ACADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC[NH3+] 647505935 375649629 /nfs/dbraw/zinc/64/96/29/375649629.db2.gz RJQDZTSSYZIQLP-JTQLQIEISA-N 3 1 187.331 0.640 20 0 ACADMP C[C@H]1C[C@@H](C[N@@H+](C)CCC[NH3+])CC[NH2+]1 647497029 375649763 /nfs/dbraw/zinc/64/97/63/375649763.db2.gz WXCGFTKWKLCKLO-QWRGUYRKSA-N 3 1 199.342 0.655 20 0 ACADMP [NH3+]CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 647535803 375652878 /nfs/dbraw/zinc/65/28/78/375652878.db2.gz POKGLEAVXSYFQV-JTQLQIEISA-N 3 1 185.315 0.396 20 0 ACADMP [NH3+]CCC[N@H+]1CCC[C@H](CC[NH3+])C1 647535804 375653153 /nfs/dbraw/zinc/65/31/53/375653153.db2.gz POKGLEAVXSYFQV-SNVBAGLBSA-N 3 1 185.315 0.396 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 647546448 375655671 /nfs/dbraw/zinc/65/56/71/375655671.db2.gz KRRSYPWLVYXPPM-GMTAPVOTSA-N 3 1 197.326 0.184 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 647546449 375655753 /nfs/dbraw/zinc/65/57/53/375655753.db2.gz KRRSYPWLVYXPPM-HBNTYKKESA-N 3 1 197.326 0.184 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 647546468 375655767 /nfs/dbraw/zinc/65/57/67/375655767.db2.gz LKDOKPFVKJGUAC-WDEREUQCSA-N 3 1 197.326 0.328 20 0 ACADMP [NH3+]C[C@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 647546522 375655862 /nfs/dbraw/zinc/65/58/62/375655862.db2.gz NRQIKVJXPIAVCY-NSHDSACASA-N 3 1 197.326 0.313 20 0 ACADMP CC(C)(N)C[NH2+]CC1CC[NH2+]CC1 647546459 375655978 /nfs/dbraw/zinc/65/59/78/375655978.db2.gz KZZPSGSMCDLQMS-UHFFFAOYSA-N 2 1 185.315 0.313 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 647546447 375656013 /nfs/dbraw/zinc/65/60/13/375656013.db2.gz KRRSYPWLVYXPPM-GARJFASQSA-N 3 1 197.326 0.184 20 0 ACADMP C1C[NH2+]C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C1 647546467 375656071 /nfs/dbraw/zinc/65/60/71/375656071.db2.gz LKDOKPFVKJGUAC-QWRGUYRKSA-N 3 1 197.326 0.328 20 0 ACADMP C1C[NH2+][C@@H](CNCC2CC[NH2+]CC2)C1 647546546 375656120 /nfs/dbraw/zinc/65/61/20/375656120.db2.gz OSMYCBXTBLQLKE-LLVKDONJSA-N 2 1 197.326 0.328 20 0 ACADMP C1C[NH2+]C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 647546465 375656138 /nfs/dbraw/zinc/65/61/38/375656138.db2.gz LKDOKPFVKJGUAC-GHMZBOCLSA-N 3 1 197.326 0.328 20 0 ACADMP C1C[NH2+]C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C1 647546466 375656253 /nfs/dbraw/zinc/65/62/53/375656253.db2.gz LKDOKPFVKJGUAC-MNOVXSKESA-N 3 1 197.326 0.328 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 647546450 375656384 /nfs/dbraw/zinc/65/63/84/375656384.db2.gz KRRSYPWLVYXPPM-OUAUKWLOSA-N 3 1 197.326 0.184 20 0 ACADMP C1C[NH2+][C@H](CNCC2CC[NH2+]CC2)C1 647546547 375656400 /nfs/dbraw/zinc/65/64/00/375656400.db2.gz OSMYCBXTBLQLKE-NSHDSACASA-N 2 1 197.326 0.328 20 0 ACADMP [NH3+]C[C@@H]([NH2+]CC1CC[NH2+]CC1)C1CC1 647546521 375656490 /nfs/dbraw/zinc/65/64/90/375656490.db2.gz NRQIKVJXPIAVCY-LLVKDONJSA-N 3 1 197.326 0.313 20 0 ACADMP CC(C)[C@@H](N)C[NH2+]CC1CC[NH2+]CC1 647546663 375657165 /nfs/dbraw/zinc/65/71/65/375657165.db2.gz VIZRQALRZASYQS-NSHDSACASA-N 2 1 199.342 0.559 20 0 ACADMP CC(C)[C@H](N)C[NH2+]CC1CC[NH2+]CC1 647546662 375657170 /nfs/dbraw/zinc/65/71/70/375657170.db2.gz VIZRQALRZASYQS-LLVKDONJSA-N 2 1 199.342 0.559 20 0 ACADMP C[C@@H](CCCC[NH3+])[NH2+]CC(C)(C)N 647546884 375658360 /nfs/dbraw/zinc/65/83/60/375658360.db2.gz FWIVCMNCIFBQRC-VIFPVBQESA-N 2 1 187.331 0.831 20 0 ACADMP CCCNCC[NH2+]CC1CC[NH2+]CC1 647547132 375658384 /nfs/dbraw/zinc/65/83/84/375658384.db2.gz OKXROLLBACNXKK-UHFFFAOYSA-N 2 1 199.342 0.575 20 0 ACADMP CCC[NH2+]CCNCC1CC[NH2+]CC1 647547132 375658390 /nfs/dbraw/zinc/65/83/90/375658390.db2.gz OKXROLLBACNXKK-UHFFFAOYSA-N 2 1 199.342 0.575 20 0 ACADMP CC(C)(N)C[NH2+]CC1(C)CC[NH2+]CC1 647546868 375658430 /nfs/dbraw/zinc/65/84/30/375658430.db2.gz FOHDPOBTZLPEJU-UHFFFAOYSA-N 2 1 199.342 0.703 20 0 ACADMP C[C@H](CCCC[NH3+])[NH2+]CC(C)(C)N 647546883 375658686 /nfs/dbraw/zinc/65/86/86/375658686.db2.gz FWIVCMNCIFBQRC-SECBINFHSA-N 2 1 187.331 0.831 20 0 ACADMP N[C@@H](C[NH2+]CC1CC[NH2+]CC1)C1CC1 647547203 375659569 /nfs/dbraw/zinc/65/95/69/375659569.db2.gz QWXMJGITOQHSTI-NSHDSACASA-N 2 1 197.326 0.313 20 0 ACADMP CC[C@H](N)C[NH2+]CC1CC[NH2+]CC1 647547216 375659696 /nfs/dbraw/zinc/65/96/96/375659696.db2.gz RHJKREZGZCQSPU-JTQLQIEISA-N 2 1 185.315 0.313 20 0 ACADMP CC(C)(N)C[NH2+]CCC[C@@H]1CCC[NH2+]1 647547418 375659745 /nfs/dbraw/zinc/65/97/45/375659745.db2.gz VQUZOLOIAUREDX-SNVBAGLBSA-N 2 1 199.342 0.846 20 0 ACADMP CC[C@@H](N)C[NH2+]CC1CC[NH2+]CC1 647547217 375659758 /nfs/dbraw/zinc/65/97/58/375659758.db2.gz RHJKREZGZCQSPU-SNVBAGLBSA-N 2 1 185.315 0.313 20 0 ACADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 647547422 375659844 /nfs/dbraw/zinc/65/98/44/375659844.db2.gz VYEFAQMKESCMKN-GWOFURMSSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 647547424 375659927 /nfs/dbraw/zinc/65/99/27/375659927.db2.gz VYEFAQMKESCMKN-VPOLOUISSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 647547423 375659936 /nfs/dbraw/zinc/65/99/36/375659936.db2.gz VYEFAQMKESCMKN-LMLFDSFASA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 647547421 375659968 /nfs/dbraw/zinc/65/99/68/375659968.db2.gz VYEFAQMKESCMKN-CHWFTXMASA-N 3 1 197.326 0.311 20 0 ACADMP N[C@H](C[NH2+]CC1CC[NH2+]CC1)C1CC1 647547202 375660031 /nfs/dbraw/zinc/66/00/31/375660031.db2.gz QWXMJGITOQHSTI-LLVKDONJSA-N 2 1 197.326 0.313 20 0 ACADMP CCN[C@H](C)C[NH2+]CC1CC[NH2+]CC1 647547363 375660125 /nfs/dbraw/zinc/66/01/25/375660125.db2.gz UJVUAOYWMYMIDC-SNVBAGLBSA-N 2 1 199.342 0.574 20 0 ACADMP CC(C)(N)C[NH2+]CCC[C@H]1CCC[NH2+]1 647547417 375660224 /nfs/dbraw/zinc/66/02/24/375660224.db2.gz VQUZOLOIAUREDX-JTQLQIEISA-N 2 1 199.342 0.846 20 0 ACADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[NH2+]C1 647548150 375660637 /nfs/dbraw/zinc/66/06/37/375660637.db2.gz WRGMOZGPFFXWNH-UWVGGRQHSA-N 3 1 185.315 0.455 20 0 ACADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[NH2+]C1 647548151 375660661 /nfs/dbraw/zinc/66/06/61/375660661.db2.gz WRGMOZGPFFXWNH-VHSXEESVSA-N 3 1 185.315 0.455 20 0 ACADMP CC(C)(N)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 647548004 375660794 /nfs/dbraw/zinc/66/07/94/375660794.db2.gz QWMBWYQWYGVGIN-IUCAKERBSA-N 2 1 185.315 0.441 20 0 ACADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647547799 375660932 /nfs/dbraw/zinc/66/09/32/375660932.db2.gz FLDKPBBQGVTCHI-GMTAPVOTSA-N 3 1 197.326 0.455 20 0 ACADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 647547802 375661007 /nfs/dbraw/zinc/66/10/07/375661007.db2.gz FLDKPBBQGVTCHI-VWYCJHECSA-N 3 1 197.326 0.455 20 0 ACADMP CC(C)(N)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 647548002 375661072 /nfs/dbraw/zinc/66/10/72/375661072.db2.gz QWMBWYQWYGVGIN-BDAKNGLRSA-N 2 1 185.315 0.441 20 0 ACADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 647547800 375661173 /nfs/dbraw/zinc/66/11/73/375661173.db2.gz FLDKPBBQGVTCHI-MXWKQRLJSA-N 3 1 197.326 0.455 20 0 ACADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647547801 375661213 /nfs/dbraw/zinc/66/12/13/375661213.db2.gz FLDKPBBQGVTCHI-OUAUKWLOSA-N 3 1 197.326 0.455 20 0 ACADMP CC(C)(N)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 647548005 375661232 /nfs/dbraw/zinc/66/12/32/375661232.db2.gz QWMBWYQWYGVGIN-RKDXNWHRSA-N 2 1 185.315 0.441 20 0 ACADMP CC(C)(N)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 647548003 375661323 /nfs/dbraw/zinc/66/13/23/375661323.db2.gz QWMBWYQWYGVGIN-DTWKUNHWSA-N 2 1 185.315 0.441 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CO1 647803945 375667933 /nfs/dbraw/zinc/66/79/33/375667933.db2.gz FFYYZSNNLKQILB-DBIOUOCHSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[NH2+]C1 647548149 375661376 /nfs/dbraw/zinc/66/13/76/375661376.db2.gz WRGMOZGPFFXWNH-NXEZZACHSA-N 3 1 185.315 0.455 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+][C@H]1CCC[NH2+]C1 647548152 375661408 /nfs/dbraw/zinc/66/14/08/375661408.db2.gz WRGMOZGPFFXWNH-ZJUUUORDSA-N 3 1 185.315 0.455 20 0 ACADMP C[C@H](CCC[NH3+])[NH2+]CC(C)(C)N 647547941 375661428 /nfs/dbraw/zinc/66/14/28/375661428.db2.gz MNLLSABZNYFUDM-MRVPVSSYSA-N 2 1 173.304 0.441 20 0 ACADMP C[C@@H](CCC[NH3+])[NH2+]CC(C)(C)N 647547942 375661437 /nfs/dbraw/zinc/66/14/37/375661437.db2.gz MNLLSABZNYFUDM-QMMMGPOBSA-N 2 1 173.304 0.441 20 0 ACADMP Cc1cn[nH]c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] 647552053 375661852 /nfs/dbraw/zinc/66/18/52/375661852.db2.gz CWMQNDXDJYXBHH-IUCAKERBSA-N 2 1 196.298 0.934 20 0 ACADMP Cc1c[nH]nc1C[NH2+][C@@H](C)C[C@H](C)[NH3+] 647552053 375661856 /nfs/dbraw/zinc/66/18/56/375661856.db2.gz CWMQNDXDJYXBHH-IUCAKERBSA-N 2 1 196.298 0.934 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH2+]CC1 647552394 375661881 /nfs/dbraw/zinc/66/18/81/375661881.db2.gz YPOABSBSFPDORP-DTWKUNHWSA-N 3 1 185.315 0.454 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 647552060 375661890 /nfs/dbraw/zinc/66/18/90/375661890.db2.gz DEDXQJOSZVBECI-DCAQKATOSA-N 3 1 199.342 0.844 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 647552062 375661951 /nfs/dbraw/zinc/66/19/51/375661951.db2.gz DEDXQJOSZVBECI-HBNTYKKESA-N 3 1 199.342 0.844 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCC[NH3+] 647552178 375661976 /nfs/dbraw/zinc/66/19/76/375661976.db2.gz KOCRWMLPGHPQLP-SFYZADRCSA-N 3 1 159.277 0.051 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCC[NH3+] 647552177 375662024 /nfs/dbraw/zinc/66/20/24/375662024.db2.gz KOCRWMLPGHPQLP-JGVFFNPUSA-N 3 1 159.277 0.051 20 0 ACADMP Cc1cn[nH]c1C[NH2+][C@H](C)C[C@H](C)[NH3+] 647552052 375662108 /nfs/dbraw/zinc/66/21/08/375662108.db2.gz CWMQNDXDJYXBHH-DTWKUNHWSA-N 2 1 196.298 0.934 20 0 ACADMP Cc1c[nH]nc1C[NH2+][C@H](C)C[C@H](C)[NH3+] 647552052 375662114 /nfs/dbraw/zinc/66/21/14/375662114.db2.gz CWMQNDXDJYXBHH-DTWKUNHWSA-N 2 1 196.298 0.934 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC1CC[NH2+]CC1 647552307 375662319 /nfs/dbraw/zinc/66/23/19/375662319.db2.gz QHLZJWMWBDXIPK-UHFFFAOYSA-N 3 1 199.342 0.527 20 0 ACADMP Cc1cn[nH]c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] 647552054 375662731 /nfs/dbraw/zinc/66/27/31/375662731.db2.gz CWMQNDXDJYXBHH-RKDXNWHRSA-N 2 1 196.298 0.934 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]C1CC[NH2+]CC1 647552393 375662636 /nfs/dbraw/zinc/66/26/36/375662636.db2.gz YPOABSBSFPDORP-BDAKNGLRSA-N 3 1 185.315 0.454 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]2COC[C@@H]21 647551959 375662661 /nfs/dbraw/zinc/66/26/61/375662661.db2.gz ZKWBZTUCOZSNPT-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]2COC[C@@H]21 647551959 375662668 /nfs/dbraw/zinc/66/26/68/375662668.db2.gz ZKWBZTUCOZSNPT-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP Cc1c[nH]nc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] 647552054 375662737 /nfs/dbraw/zinc/66/27/37/375662737.db2.gz CWMQNDXDJYXBHH-RKDXNWHRSA-N 2 1 196.298 0.934 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC[NH2+]CC1 647552396 375662811 /nfs/dbraw/zinc/66/28/11/375662811.db2.gz YPOABSBSFPDORP-RKDXNWHRSA-N 3 1 185.315 0.454 20 0 ACADMP Cc1cn[nH]c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 647552051 375662821 /nfs/dbraw/zinc/66/28/21/375662821.db2.gz CWMQNDXDJYXBHH-BDAKNGLRSA-N 2 1 196.298 0.934 20 0 ACADMP Cc1c[nH]nc1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 647552051 375662827 /nfs/dbraw/zinc/66/28/27/375662827.db2.gz CWMQNDXDJYXBHH-BDAKNGLRSA-N 2 1 196.298 0.934 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 647552059 375662856 /nfs/dbraw/zinc/66/28/56/375662856.db2.gz DEDXQJOSZVBECI-AXFHLTTASA-N 3 1 199.342 0.844 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[NH3+] 647552179 375662995 /nfs/dbraw/zinc/66/29/95/375662995.db2.gz KOCRWMLPGHPQLP-YUMQZZPRSA-N 3 1 159.277 0.051 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH2+]CC1 647552395 375663052 /nfs/dbraw/zinc/66/30/52/375663052.db2.gz YPOABSBSFPDORP-IUCAKERBSA-N 3 1 185.315 0.454 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 647552061 375663063 /nfs/dbraw/zinc/66/30/63/375663063.db2.gz DEDXQJOSZVBECI-GARJFASQSA-N 3 1 199.342 0.844 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[NH3+] 647552176 375663087 /nfs/dbraw/zinc/66/30/87/375663087.db2.gz KOCRWMLPGHPQLP-HTQZYQBOSA-N 3 1 159.277 0.051 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccn(C)n1 647552509 375663270 /nfs/dbraw/zinc/66/32/70/375663270.db2.gz CFFXRFZDVNNTJT-IUCAKERBSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccn(C)n1 647552510 375663503 /nfs/dbraw/zinc/66/35/03/375663503.db2.gz CFFXRFZDVNNTJT-RKDXNWHRSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc[nH]n1 647552497 375663560 /nfs/dbraw/zinc/66/35/60/375663560.db2.gz BSPLJQVUIUIZRY-HTQZYQBOSA-N 2 1 182.271 0.625 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnnn1C 647552529 375663600 /nfs/dbraw/zinc/66/36/00/375663600.db2.gz FECJLYQZQCRKRR-HTQZYQBOSA-N 2 1 197.286 0.031 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cnnn1C 647552531 375663684 /nfs/dbraw/zinc/66/36/84/375663684.db2.gz FECJLYQZQCRKRR-SFYZADRCSA-N 2 1 197.286 0.031 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccn(C)n1 647552508 375663763 /nfs/dbraw/zinc/66/37/63/375663763.db2.gz CFFXRFZDVNNTJT-DTWKUNHWSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnnn1C 647552530 375663832 /nfs/dbraw/zinc/66/38/32/375663832.db2.gz FECJLYQZQCRKRR-JGVFFNPUSA-N 2 1 197.286 0.031 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc[nH]n1 647552500 375663993 /nfs/dbraw/zinc/66/39/93/375663993.db2.gz BSPLJQVUIUIZRY-YUMQZZPRSA-N 2 1 182.271 0.625 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1ccn(C)n1 647552507 375664031 /nfs/dbraw/zinc/66/40/31/375664031.db2.gz CFFXRFZDVNNTJT-BDAKNGLRSA-N 2 1 196.298 0.636 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnnn1C 647552532 375664149 /nfs/dbraw/zinc/66/41/49/375664149.db2.gz FECJLYQZQCRKRR-YUMQZZPRSA-N 2 1 197.286 0.031 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc[nH]n1 647552498 375664178 /nfs/dbraw/zinc/66/41/78/375664178.db2.gz BSPLJQVUIUIZRY-JGVFFNPUSA-N 2 1 182.271 0.625 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1cc[nH]n1 647552499 375664384 /nfs/dbraw/zinc/66/43/84/375664384.db2.gz BSPLJQVUIUIZRY-SFYZADRCSA-N 2 1 182.271 0.625 20 0 ACADMP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@H]1CCC[NH2+]1 647803947 375667526 /nfs/dbraw/zinc/66/75/26/375667526.db2.gz FFYYZSNNLKQILB-LMLFDSFASA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H](N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 647799840 375667611 /nfs/dbraw/zinc/66/76/11/375667611.db2.gz QXDJOHBTNVMHFT-UKKRHICBSA-N 2 1 197.326 0.311 20 0 ACADMP C[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]1 647803948 375667697 /nfs/dbraw/zinc/66/76/97/375667697.db2.gz FFYYZSNNLKQILB-YTWAJWBKSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H](N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 647799845 375667812 /nfs/dbraw/zinc/66/78/12/375667812.db2.gz QXDJOHBTNVMHFT-ZRUFSTJUSA-N 2 1 197.326 0.311 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 647830418 375667823 /nfs/dbraw/zinc/66/78/23/375667823.db2.gz IWEAAAFMTZWPQG-GHMZBOCLSA-N 3 1 197.326 0.267 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CO1 647803946 375667947 /nfs/dbraw/zinc/66/79/47/375667947.db2.gz FFYYZSNNLKQILB-GWOFURMSSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H](N)C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 647799841 375667970 /nfs/dbraw/zinc/66/79/70/375667970.db2.gz QXDJOHBTNVMHFT-XWLWVQCSSA-N 2 1 197.326 0.311 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 647830419 375668040 /nfs/dbraw/zinc/66/80/40/375668040.db2.gz IWEAAAFMTZWPQG-MNOVXSKESA-N 3 1 197.326 0.267 20 0 ACADMP C[C@H](N)C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 647799839 375668397 /nfs/dbraw/zinc/66/83/97/375668397.db2.gz QXDJOHBTNVMHFT-LNFKQOIKSA-N 2 1 197.326 0.311 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 647830420 375668900 /nfs/dbraw/zinc/66/89/00/375668900.db2.gz IWEAAAFMTZWPQG-QWRGUYRKSA-N 3 1 197.326 0.267 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 647843200 375668921 /nfs/dbraw/zinc/66/89/21/375668921.db2.gz IAXFDWIKVHNNBL-UWVGGRQHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](C[NH3+])N(C)CC[C@@H]1CC[NH2+]C1 647843200 375668923 /nfs/dbraw/zinc/66/89/23/375668923.db2.gz IAXFDWIKVHNNBL-UWVGGRQHSA-N 2 1 185.315 0.265 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CC[NH2+]C1 647847122 375668958 /nfs/dbraw/zinc/66/89/58/375668958.db2.gz ADHFBNKTONHDMJ-JTQLQIEISA-N 3 1 185.315 0.267 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 647830421 375669102 /nfs/dbraw/zinc/66/91/02/375669102.db2.gz IWEAAAFMTZWPQG-WDEREUQCSA-N 3 1 197.326 0.267 20 0 ACADMP C[C@H](CN)[N@@H+](C)CC[C@H]1CC[NH2+]C1 647843199 375669162 /nfs/dbraw/zinc/66/91/62/375669162.db2.gz IAXFDWIKVHNNBL-NXEZZACHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](C[NH3+])N(C)CC[C@H]1CC[NH2+]C1 647843199 375669169 /nfs/dbraw/zinc/66/91/69/375669169.db2.gz IAXFDWIKVHNNBL-NXEZZACHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 647843186 375669317 /nfs/dbraw/zinc/66/93/17/375669317.db2.gz CWGNBAMPFATGIM-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](C[NH3+])N(C)CC[C@@H]1CCC[NH2+]C1 647843186 375669319 /nfs/dbraw/zinc/66/93/19/375669319.db2.gz CWGNBAMPFATGIM-QWRGUYRKSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CC[C@H]1CC[NH2+]C1 647843201 375669384 /nfs/dbraw/zinc/66/93/84/375669384.db2.gz IAXFDWIKVHNNBL-VHSXEESVSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](C[NH3+])N(C)CC[C@H]1CC[NH2+]C1 647843201 375669387 /nfs/dbraw/zinc/66/93/87/375669387.db2.gz IAXFDWIKVHNNBL-VHSXEESVSA-N 2 1 185.315 0.265 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@H]1CC[NH2+]C1 647847123 375669472 /nfs/dbraw/zinc/66/94/72/375669472.db2.gz ADHFBNKTONHDMJ-SNVBAGLBSA-N 3 1 185.315 0.267 20 0 ACADMP C[C@H](CN)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 647843202 375669556 /nfs/dbraw/zinc/66/95/56/375669556.db2.gz IAXFDWIKVHNNBL-ZJUUUORDSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](C[NH3+])N(C)CC[C@@H]1CC[NH2+]C1 647843202 375669560 /nfs/dbraw/zinc/66/95/60/375669560.db2.gz IAXFDWIKVHNNBL-ZJUUUORDSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](CN)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 647843184 375669649 /nfs/dbraw/zinc/66/96/49/375669649.db2.gz CWGNBAMPFATGIM-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](C[NH3+])N(C)CC[C@H]1CCC[NH2+]C1 647843184 375669654 /nfs/dbraw/zinc/66/96/54/375669654.db2.gz CWGNBAMPFATGIM-GHMZBOCLSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 647843187 375669725 /nfs/dbraw/zinc/66/97/25/375669725.db2.gz CWGNBAMPFATGIM-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](C[NH3+])N(C)CC[C@H]1CCC[NH2+]C1 647843187 375669728 /nfs/dbraw/zinc/66/97/28/375669728.db2.gz CWGNBAMPFATGIM-WDEREUQCSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](CN)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 647843185 375669741 /nfs/dbraw/zinc/66/97/41/375669741.db2.gz CWGNBAMPFATGIM-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](C[NH3+])N(C)CC[C@@H]1CCC[NH2+]C1 647843185 375669745 /nfs/dbraw/zinc/66/97/45/375669745.db2.gz CWGNBAMPFATGIM-MNOVXSKESA-N 2 1 199.342 0.655 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CCC[NH2+]C1 647847246 375670317 /nfs/dbraw/zinc/67/03/17/375670317.db2.gz IVMUPDKPKPFRKJ-NSHDSACASA-N 3 1 199.342 0.657 20 0 ACADMP NC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 647853439 375670348 /nfs/dbraw/zinc/67/03/48/375670348.db2.gz NSPQUWIFBOALNT-WDEREUQCSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 647853439 375670353 /nfs/dbraw/zinc/67/03/53/375670353.db2.gz NSPQUWIFBOALNT-WDEREUQCSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 647853439 375670355 /nfs/dbraw/zinc/67/03/55/375670355.db2.gz NSPQUWIFBOALNT-WDEREUQCSA-N 3 1 197.326 0.409 20 0 ACADMP NC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 647853436 375670387 /nfs/dbraw/zinc/67/03/87/375670387.db2.gz NSPQUWIFBOALNT-GHMZBOCLSA-N 2 1 197.326 0.409 20 0 ACADMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1 647853436 375670391 /nfs/dbraw/zinc/67/03/91/375670391.db2.gz NSPQUWIFBOALNT-GHMZBOCLSA-N 3 1 197.326 0.409 20 0 ACADMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 647853436 375670393 /nfs/dbraw/zinc/67/03/93/375670393.db2.gz NSPQUWIFBOALNT-GHMZBOCLSA-N 3 1 197.326 0.409 20 0 ACADMP COCCC[NH2+][C@@](C)(C[NH3+])C1CC1 647867936 375670448 /nfs/dbraw/zinc/67/04/48/375670448.db2.gz VCTUEHVJYCLCTI-JTQLQIEISA-N 2 1 186.299 0.740 20 0 ACADMP C[N@H+](CCC[NH3+])Cc1ccnc(N)c1 647847330 375670669 /nfs/dbraw/zinc/67/06/69/375670669.db2.gz JTUSKNLNSSOVFR-UHFFFAOYSA-N 2 1 194.282 0.275 20 0 ACADMP C[N@@H+](CCC[NH3+])Cc1ccnc(N)c1 647847330 375670674 /nfs/dbraw/zinc/67/06/74/375670674.db2.gz JTUSKNLNSSOVFR-UHFFFAOYSA-N 2 1 194.282 0.275 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@H]1CCC[NH2+]C1 647847245 375670682 /nfs/dbraw/zinc/67/06/82/375670682.db2.gz IVMUPDKPKPFRKJ-LLVKDONJSA-N 3 1 199.342 0.657 20 0 ACADMP COCCC[NH2+][C@](C)(C[NH3+])C1CC1 647867937 375670953 /nfs/dbraw/zinc/67/09/53/375670953.db2.gz VCTUEHVJYCLCTI-SNVBAGLBSA-N 2 1 186.299 0.740 20 0 ACADMP NC1(C[NH2+]CC[C@H]2CC[NH2+]C2)CCC1 647907585 375674418 /nfs/dbraw/zinc/67/44/18/375674418.db2.gz AVSSJLPQOCACGK-SNVBAGLBSA-N 2 1 197.326 0.457 20 0 ACADMP NC1(C[NH2+]CC[C@@H]2CC[NH2+]C2)CCC1 647907584 375675096 /nfs/dbraw/zinc/67/50/96/375675096.db2.gz AVSSJLPQOCACGK-JTQLQIEISA-N 2 1 197.326 0.457 20 0 ACADMP CC[C@@H](C(N)=O)[NH+]1CCC(C)([NH3+])CC1 647924156 375677160 /nfs/dbraw/zinc/67/71/60/375677160.db2.gz JBMRNSRPPXXYMM-QMMMGPOBSA-N 2 1 199.298 0.064 20 0 ACADMP CC[C@H](C(N)=O)[NH+]1CCC(C)([NH3+])CC1 647924155 375677169 /nfs/dbraw/zinc/67/71/69/375677169.db2.gz JBMRNSRPPXXYMM-MRVPVSSYSA-N 2 1 199.298 0.064 20 0 ACADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982641 375681729 /nfs/dbraw/zinc/68/17/29/375681729.db2.gz MOJQJXNUJAMKOF-KPPDAEKUSA-N 3 1 197.326 0.408 20 0 ACADMP C[NH2+]CCC[NH2+][C@H]1CC[NH2+]CC1(C)C 647988017 375682005 /nfs/dbraw/zinc/68/20/05/375682005.db2.gz GMUMCPCHUIGGRJ-JTQLQIEISA-N 3 1 199.342 0.574 20 0 ACADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC([NH3+])C1 647982642 375682462 /nfs/dbraw/zinc/68/24/62/375682462.db2.gz MOJQJXNUJAMKOF-WHXUTIOJSA-N 3 1 197.326 0.408 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H]1CC[NH2+]CC1(C)C 647988018 375682511 /nfs/dbraw/zinc/68/25/11/375682511.db2.gz GMUMCPCHUIGGRJ-SNVBAGLBSA-N 3 1 199.342 0.574 20 0 ACADMP C[NH2+]CCCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C 647989096 375683513 /nfs/dbraw/zinc/68/35/13/375683513.db2.gz HNVFFQQFTLFLAF-MNOVXSKESA-N 2 1 199.342 0.620 20 0 ACADMP CC[N@H+]1C[C@H](C)N(C[C@H](C)[NH3+])C[C@@H]1C 647989060 375683276 /nfs/dbraw/zinc/68/32/76/375683276.db2.gz CMQRLNRWRQWKTQ-DCAQKATOSA-N 2 1 199.342 0.748 20 0 ACADMP C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](C)C[C@@H]1C 647989131 375683368 /nfs/dbraw/zinc/68/33/68/375683368.db2.gz NGWCWXGVIYLVFY-GUBZILKMSA-N 2 1 185.315 0.358 20 0 ACADMP CC[N@H+]1C[C@H](C)N(C[C@H](C)[NH3+])C[C@H]1C 647989059 375683624 /nfs/dbraw/zinc/68/36/24/375683624.db2.gz CMQRLNRWRQWKTQ-AXFHLTTASA-N 2 1 199.342 0.748 20 0 ACADMP CC[N@H+]1C[C@H](C)N(C[C@@H](C)[NH3+])C[C@H]1C 647989061 375683781 /nfs/dbraw/zinc/68/37/81/375683781.db2.gz CMQRLNRWRQWKTQ-MXWKQRLJSA-N 2 1 199.342 0.748 20 0 ACADMP C[NH2+]CCCN1C[C@@H](C)[N@@H+](C)C[C@H]1C 647989095 375683897 /nfs/dbraw/zinc/68/38/97/375683897.db2.gz HNVFFQQFTLFLAF-GHMZBOCLSA-N 2 1 199.342 0.620 20 0 ACADMP C[NH2+]CCCN1C[C@H](C)[N@@H+](C)C[C@@H]1C 647989097 375683929 /nfs/dbraw/zinc/68/39/29/375683929.db2.gz HNVFFQQFTLFLAF-QWRGUYRKSA-N 2 1 199.342 0.620 20 0 ACADMP C[C@H]([NH3+])CN1C[C@H](C)[N@@H+](C)C[C@H]1C 647989133 375684059 /nfs/dbraw/zinc/68/40/59/375684059.db2.gz NGWCWXGVIYLVFY-LPEHRKFASA-N 2 1 185.315 0.358 20 0 ACADMP C[C@H]([NH3+])CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C 647989130 375684116 /nfs/dbraw/zinc/68/41/16/375684116.db2.gz NGWCWXGVIYLVFY-AEJSXWLSSA-N 2 1 185.315 0.358 20 0 ACADMP CC[N@H+]1C[C@H](C)N(C[C@@H](C)[NH3+])C[C@@H]1C 647989062 375684142 /nfs/dbraw/zinc/68/41/42/375684142.db2.gz CMQRLNRWRQWKTQ-VWYCJHECSA-N 2 1 199.342 0.748 20 0 ACADMP C[NH2+]CCCN1C[C@H](C)[N@@H+](C)C[C@H]1C 647989098 375684255 /nfs/dbraw/zinc/68/42/55/375684255.db2.gz HNVFFQQFTLFLAF-WDEREUQCSA-N 2 1 199.342 0.620 20 0 ACADMP C[C@H]([NH3+])CN1C[C@@H](C)[N@@H+](C)C[C@H]1C 647989132 375684341 /nfs/dbraw/zinc/68/43/41/375684341.db2.gz NGWCWXGVIYLVFY-IVZWLZJFSA-N 2 1 185.315 0.358 20 0 ACADMP C[N@H+](CCN)CCC1CC[NH2+]CC1 647992582 375684970 /nfs/dbraw/zinc/68/49/70/375684970.db2.gz QBVFMMTXNYTSDN-UHFFFAOYSA-N 2 1 185.315 0.267 20 0 ACADMP C[N@@H+](CCN)CCC1CC[NH2+]CC1 647992582 375684974 /nfs/dbraw/zinc/68/49/74/375684974.db2.gz QBVFMMTXNYTSDN-UHFFFAOYSA-N 2 1 185.315 0.267 20 0 ACADMP C[N@H+](CC[NH3+])CCC1CC[NH2+]CC1 647992582 375684976 /nfs/dbraw/zinc/68/49/76/375684976.db2.gz QBVFMMTXNYTSDN-UHFFFAOYSA-N 3 1 185.315 0.267 20 0 ACADMP C[N@@H+](CC[NH3+])CCC1CC[NH2+]CC1 647992582 375684981 /nfs/dbraw/zinc/68/49/81/375684981.db2.gz QBVFMMTXNYTSDN-UHFFFAOYSA-N 3 1 185.315 0.267 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 647995259 375685048 /nfs/dbraw/zinc/68/50/48/375685048.db2.gz JQRYQVZZRMDQEX-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H]1CC[NH2+]C1 647997596 375685074 /nfs/dbraw/zinc/68/50/74/375685074.db2.gz RLLVLHZPPCEASP-MXWKQRLJSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1C[C@H](O)CC[C@H]1C 647997502 375685138 /nfs/dbraw/zinc/68/51/38/375685138.db2.gz JHDJUMIXENBKRO-DJLDLDEBSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1C[C@H](O)CC[C@H]1C 647997502 375685146 /nfs/dbraw/zinc/68/51/46/375685146.db2.gz JHDJUMIXENBKRO-DJLDLDEBSA-N 2 1 172.272 0.179 20 0 ACADMP C[N@H+](CCN)CCCC1CC[NH2+]CC1 647992656 375685384 /nfs/dbraw/zinc/68/53/84/375685384.db2.gz XLDNGWULDMKNOX-UHFFFAOYSA-N 2 1 199.342 0.657 20 0 ACADMP C[N@@H+](CCN)CCCC1CC[NH2+]CC1 647992656 375685387 /nfs/dbraw/zinc/68/53/87/375685387.db2.gz XLDNGWULDMKNOX-UHFFFAOYSA-N 2 1 199.342 0.657 20 0 ACADMP C[N@H+](CC[NH3+])CCCC1CC[NH2+]CC1 647992656 375685392 /nfs/dbraw/zinc/68/53/92/375685392.db2.gz XLDNGWULDMKNOX-UHFFFAOYSA-N 3 1 199.342 0.657 20 0 ACADMP C[N@@H+](CC[NH3+])CCCC1CC[NH2+]CC1 647992656 375685396 /nfs/dbraw/zinc/68/53/96/375685396.db2.gz XLDNGWULDMKNOX-UHFFFAOYSA-N 3 1 199.342 0.657 20 0 ACADMP C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H]1CC[NH2+]C1 647997598 375685408 /nfs/dbraw/zinc/68/54/08/375685408.db2.gz RLLVLHZPPCEASP-VWYCJHECSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 647995185 375685516 /nfs/dbraw/zinc/68/55/16/375685516.db2.gz DASMFFXDRLRROW-AEJSXWLSSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 647995185 375685520 /nfs/dbraw/zinc/68/55/20/375685520.db2.gz DASMFFXDRLRROW-AEJSXWLSSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 647995186 375685764 /nfs/dbraw/zinc/68/57/64/375685764.db2.gz DASMFFXDRLRROW-BBBLOLIVSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 647995186 375685768 /nfs/dbraw/zinc/68/57/68/375685768.db2.gz DASMFFXDRLRROW-BBBLOLIVSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CC[NH2+]C1 647997597 375685807 /nfs/dbraw/zinc/68/58/07/375685807.db2.gz RLLVLHZPPCEASP-OUAUKWLOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CC[NH2+]C1 647997595 375685954 /nfs/dbraw/zinc/68/59/54/375685954.db2.gz RLLVLHZPPCEASP-GMTAPVOTSA-N 2 1 198.310 0.441 20 0 ACADMP CCOCC[N@@H+](C)C1CC[NH2+]CC1 36300726 409318734 /nfs/dbraw/zinc/31/87/34/409318734.db2.gz GVHBJEZAPQIZRX-UHFFFAOYSA-N 2 1 186.299 0.707 20 0 ACADMP CCOCC[N@H+]1CC[C@H](C[NH3+])C1 36229805 409317642 /nfs/dbraw/zinc/31/76/42/409317642.db2.gz MWCVXNOXBFMKSP-SECBINFHSA-N 2 1 172.272 0.304 20 0 ACADMP CCOCC[N@H+]1CC[C@@H](C[NH3+])C1 36229806 409317724 /nfs/dbraw/zinc/31/77/24/409317724.db2.gz MWCVXNOXBFMKSP-VIFPVBQESA-N 2 1 172.272 0.304 20 0 ACADMP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH3+] 37172846 409323944 /nfs/dbraw/zinc/32/39/44/409323944.db2.gz XKGQCQICBMHYHW-RKDXNWHRSA-N 2 1 174.288 0.284 20 0 ACADMP CCCCC[N@@H+](C)C[C@H](O)C[NH3+] 37165490 409324470 /nfs/dbraw/zinc/32/44/70/409324470.db2.gz CNMWYRBQXHSILF-SECBINFHSA-N 2 1 174.288 0.428 20 0 ACADMP CCCCC[N@@H+](C)C[C@@H](O)C[NH3+] 37165492 409326884 /nfs/dbraw/zinc/32/68/84/409326884.db2.gz CNMWYRBQXHSILF-VIFPVBQESA-N 2 1 174.288 0.428 20 0 ACADMP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] 37109942 409326092 /nfs/dbraw/zinc/32/60/92/409326092.db2.gz GMCWGZMJOMIRJF-HTQZYQBOSA-N 2 1 160.261 0.036 20 0 ACADMP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] 37109943 409326468 /nfs/dbraw/zinc/32/64/68/409326468.db2.gz GMCWGZMJOMIRJF-JGVFFNPUSA-N 2 1 160.261 0.036 20 0 ACADMP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH3+] 37172847 409326705 /nfs/dbraw/zinc/32/67/05/409326705.db2.gz XKGQCQICBMHYHW-DTWKUNHWSA-N 2 1 174.288 0.284 20 0 ACADMP CC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 37482571 409331231 /nfs/dbraw/zinc/33/12/31/409331231.db2.gz UROJFAYLRZZOJV-NSHDSACASA-N 2 1 199.342 0.622 20 0 ACADMP CCC[N@@H+](CC)CCN1CC[NH2+]CC1 37482565 409331342 /nfs/dbraw/zinc/33/13/42/409331342.db2.gz LIZLNTPFYITFEY-UHFFFAOYSA-N 2 1 199.342 0.624 20 0 ACADMP CC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 37482570 409331732 /nfs/dbraw/zinc/33/17/32/409331732.db2.gz UROJFAYLRZZOJV-LLVKDONJSA-N 2 1 199.342 0.622 20 0 ACADMP CCC[N@@H+](C)CCN1CC[NH2+]CC1 37482568 409331745 /nfs/dbraw/zinc/33/17/45/409331745.db2.gz RDZHIVROYBPNIK-UHFFFAOYSA-N 2 1 185.315 0.233 20 0 ACADMP CC(C)[N@@H+](C)CCN1CC[NH2+]CC1 37482549 409331890 /nfs/dbraw/zinc/33/18/90/409331890.db2.gz NSRCVKQKPYOTNP-UHFFFAOYSA-N 2 1 185.315 0.232 20 0 ACADMP CC(C)C[N@@H+](C)CCN1CC[NH2+]CC1 37482569 409331930 /nfs/dbraw/zinc/33/19/30/409331930.db2.gz LHXRUNXCLBCWFO-UHFFFAOYSA-N 2 1 199.342 0.479 20 0 ACADMP CCCC[N@@H+](C)CCN1CC[NH2+]CC1 37482546 409332158 /nfs/dbraw/zinc/33/21/58/409332158.db2.gz DHDIZMPUEMSHGJ-UHFFFAOYSA-N 2 1 199.342 0.624 20 0 ACADMP CC[C@H](C)[C@H](C)[NH2+]CC[NH3+] 37712680 409333850 /nfs/dbraw/zinc/33/38/50/409333850.db2.gz YKSKBGCVSBFRJB-YUMQZZPRSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 37688739 409334490 /nfs/dbraw/zinc/33/44/90/409334490.db2.gz ZONPSNOZZXPARV-SNVBAGLBSA-N 2 1 186.299 0.441 20 0 ACADMP CC[C@H](C)[C@@H](C)[NH2+]CC[NH3+] 37712678 409334505 /nfs/dbraw/zinc/33/45/05/409334505.db2.gz YKSKBGCVSBFRJB-JGVFFNPUSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 37688738 409334673 /nfs/dbraw/zinc/33/46/73/409334673.db2.gz ZONPSNOZZXPARV-JTQLQIEISA-N 2 1 186.299 0.441 20 0 ACADMP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH3+] 37712677 409334752 /nfs/dbraw/zinc/33/47/52/409334752.db2.gz YKSKBGCVSBFRJB-HTQZYQBOSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@@H](C)[C@H](C)[NH2+]CC[NH3+] 37712679 409334972 /nfs/dbraw/zinc/33/49/72/409334972.db2.gz YKSKBGCVSBFRJB-SFYZADRCSA-N 2 1 144.262 0.969 20 0 ACADMP C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37904447 409339264 /nfs/dbraw/zinc/33/92/64/409339264.db2.gz PUKMAMRNQHRGSQ-ZJUUUORDSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37904449 409339986 /nfs/dbraw/zinc/33/99/86/409339986.db2.gz PUKMAMRNQHRGSQ-NXEZZACHSA-N 2 1 198.310 0.441 20 0 ACADMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CC1 37925761 409340013 /nfs/dbraw/zinc/34/00/13/409340013.db2.gz HWHXGNGLSVNKNL-UHFFFAOYSA-N 2 1 197.326 0.233 20 0 ACADMP C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37904446 409340101 /nfs/dbraw/zinc/34/01/01/409340101.db2.gz PUKMAMRNQHRGSQ-UWVGGRQHSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37904448 409340893 /nfs/dbraw/zinc/34/08/93/409340893.db2.gz PUKMAMRNQHRGSQ-VHSXEESVSA-N 2 1 198.310 0.441 20 0 ACADMP C[NH2+]CC[NH2+]C(C1CC1)C1CC1 39017508 409342110 /nfs/dbraw/zinc/34/21/10/409342110.db2.gz OUHPFBCXWUKRGM-UHFFFAOYSA-N 2 1 168.284 0.984 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@H]1CCOC1 41045960 409346805 /nfs/dbraw/zinc/34/68/05/409346805.db2.gz QDGIKCCAGDTCMV-SECBINFHSA-N 2 1 172.272 0.304 20 0 ACADMP C[N@@H+](CCC[NH3+])C[C@@H]1CCOC1 41045959 409346868 /nfs/dbraw/zinc/34/68/68/409346868.db2.gz QDGIKCCAGDTCMV-VIFPVBQESA-N 2 1 172.272 0.304 20 0 ACADMP CCC[N@@H+](CC)C[C@@](C)(O)C[NH2+]C 652336913 409351816 /nfs/dbraw/zinc/35/18/16/409351816.db2.gz OFZPCYBVCHZTAA-JTQLQIEISA-N 2 1 188.315 0.689 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C)C1 652337446 409351840 /nfs/dbraw/zinc/35/18/40/409351840.db2.gz MJILGSZZAFPGIW-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C)C1 652337444 409351952 /nfs/dbraw/zinc/35/19/52/409351952.db2.gz MJILGSZZAFPGIW-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC1CC1 652337192 409352192 /nfs/dbraw/zinc/35/21/92/409352192.db2.gz QZXMRJHUFBXACP-SNVBAGLBSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(C)C 652336892 409352347 /nfs/dbraw/zinc/35/23/47/409352347.db2.gz LCHBAXVWTFENPI-SNVBAGLBSA-N 2 1 188.315 0.545 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC1CC1 652337191 409352732 /nfs/dbraw/zinc/35/27/32/409352732.db2.gz QZXMRJHUFBXACP-JTQLQIEISA-N 2 1 186.299 0.299 20 0 ACADMP CCC[N@@H+](C)C[C@](C)(O)C[NH2+]C 652336858 409352405 /nfs/dbraw/zinc/35/24/05/409352405.db2.gz IJEBMUCRHTXPJU-SECBINFHSA-N 2 1 174.288 0.299 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H]1C 652338045 409352558 /nfs/dbraw/zinc/35/25/58/409352558.db2.gz YOQRADYLHVKWPT-NXEZZACHSA-N 2 1 186.299 0.441 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C)C1 652337445 409352582 /nfs/dbraw/zinc/35/25/82/409352582.db2.gz MJILGSZZAFPGIW-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP CCCC[N@@H+](C)C[C@](C)(O)C[NH2+]C 652335996 409352976 /nfs/dbraw/zinc/35/29/76/409352976.db2.gz XJCYIVDWGAWQOP-SNVBAGLBSA-N 2 1 188.315 0.689 20 0 ACADMP CCC[N@@H+](CC)C[C@](C)(O)C[NH2+]C 652336914 409353216 /nfs/dbraw/zinc/35/32/16/409353216.db2.gz OFZPCYBVCHZTAA-SNVBAGLBSA-N 2 1 188.315 0.689 20 0 ACADMP CCCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C 652335995 409353416 /nfs/dbraw/zinc/35/34/16/409353416.db2.gz XJCYIVDWGAWQOP-JTQLQIEISA-N 2 1 188.315 0.689 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(C)C 652336891 409353550 /nfs/dbraw/zinc/35/35/50/409353550.db2.gz LCHBAXVWTFENPI-JTQLQIEISA-N 2 1 188.315 0.545 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C)C1 652337443 409353640 /nfs/dbraw/zinc/35/36/40/409353640.db2.gz MJILGSZZAFPGIW-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H]1C 652338047 409353664 /nfs/dbraw/zinc/35/36/64/409353664.db2.gz YOQRADYLHVKWPT-VHSXEESVSA-N 2 1 186.299 0.441 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H]1C 652338048 409353688 /nfs/dbraw/zinc/35/36/88/409353688.db2.gz YOQRADYLHVKWPT-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H]1C 652338046 409353726 /nfs/dbraw/zinc/35/37/26/409353726.db2.gz YOQRADYLHVKWPT-UWVGGRQHSA-N 2 1 186.299 0.441 20 0 ACADMP CCC[N@@H+](C)C[C@@](C)(O)C[NH2+]C 652336859 409353738 /nfs/dbraw/zinc/35/37/38/409353738.db2.gz IJEBMUCRHTXPJU-VIFPVBQESA-N 2 1 174.288 0.299 20 0 ACADMP COCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 44467364 409355655 /nfs/dbraw/zinc/35/56/55/409355655.db2.gz NZUHZMLMZBURBJ-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 44467364 409355659 /nfs/dbraw/zinc/35/56/59/409355659.db2.gz NZUHZMLMZBURBJ-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]([NH3+])C[NH+]1CCC(CC[NH3+])CC1 652359949 409355750 /nfs/dbraw/zinc/35/57/50/409355750.db2.gz LVNHIOZBYANONS-VIFPVBQESA-N 3 1 185.315 0.394 20 0 ACADMP C[C@H](N)C[NH+]1CCC(CC[NH3+])CC1 652359949 409355753 /nfs/dbraw/zinc/35/57/53/409355753.db2.gz LVNHIOZBYANONS-VIFPVBQESA-N 2 1 185.315 0.394 20 0 ACADMP C[C@@H](N)C[NH+]1CCC(CC[NH3+])CC1 652359948 409356006 /nfs/dbraw/zinc/35/60/06/409356006.db2.gz LVNHIOZBYANONS-SECBINFHSA-N 2 1 185.315 0.394 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 44510358 409356384 /nfs/dbraw/zinc/35/63/84/409356384.db2.gz AMKXIKBQTXLEQO-GHMZBOCLSA-N 2 1 198.310 0.836 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 44510359 409356472 /nfs/dbraw/zinc/35/64/72/409356472.db2.gz AMKXIKBQTXLEQO-MNOVXSKESA-N 2 1 198.310 0.836 20 0 ACADMP COCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] 44467368 409356772 /nfs/dbraw/zinc/35/67/72/409356772.db2.gz NZUHZMLMZBURBJ-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] 44467368 409356776 /nfs/dbraw/zinc/35/67/76/409356776.db2.gz NZUHZMLMZBURBJ-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 44412350 409356804 /nfs/dbraw/zinc/35/68/04/409356804.db2.gz DFHFGOUSHOODFG-JTQLQIEISA-N 3 1 199.342 0.607 20 0 ACADMP C[C@@H]([NH3+])C[NH+]1CCC(C[NH+](C)C)CC1 44412352 409357726 /nfs/dbraw/zinc/35/77/26/409357726.db2.gz DFHFGOUSHOODFG-SNVBAGLBSA-N 3 1 199.342 0.607 20 0 ACADMP COCC[C@@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 45044544 409362106 /nfs/dbraw/zinc/36/21/06/409362106.db2.gz OTMRTDTXYJVMQW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])C1 45044544 409362111 /nfs/dbraw/zinc/36/21/11/409362111.db2.gz OTMRTDTXYJVMQW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[C@H](C)[N@H+]1CCC[NH2+]CC1 45044510 409362194 /nfs/dbraw/zinc/36/21/94/409362194.db2.gz VYGMNWUQWICANJ-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP COCC[C@H](C)[N@@H+]1CCC[C@H]([NH3+])C1 45044542 409362944 /nfs/dbraw/zinc/36/29/44/409362944.db2.gz OTMRTDTXYJVMQW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])C1 45044542 409362948 /nfs/dbraw/zinc/36/29/48/409362948.db2.gz OTMRTDTXYJVMQW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)on1 44995088 409363010 /nfs/dbraw/zinc/36/30/10/409363010.db2.gz KWXAUAYBAJCQQI-VIFPVBQESA-N 2 1 195.266 0.764 20 0 ACADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)on1 44995088 409363011 /nfs/dbraw/zinc/36/30/11/409363011.db2.gz KWXAUAYBAJCQQI-VIFPVBQESA-N 2 1 195.266 0.764 20 0 ACADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)on1 44995086 409363822 /nfs/dbraw/zinc/36/38/22/409363822.db2.gz KWXAUAYBAJCQQI-SECBINFHSA-N 2 1 195.266 0.764 20 0 ACADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)on1 44995086 409363825 /nfs/dbraw/zinc/36/38/25/409363825.db2.gz KWXAUAYBAJCQQI-SECBINFHSA-N 2 1 195.266 0.764 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49707837 409371258 /nfs/dbraw/zinc/37/12/58/409371258.db2.gz ZAIRBXMMUUVIQS-GUBZILKMSA-N 2 1 186.299 0.690 20 0 ACADMP COCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49710435 409371559 /nfs/dbraw/zinc/37/15/59/409371559.db2.gz WVOMXEWCLHOOQY-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 49565138 409372595 /nfs/dbraw/zinc/37/25/95/409372595.db2.gz UZDSWLHLNKWPOR-GMTAPVOTSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 49565138 409372599 /nfs/dbraw/zinc/37/25/99/409372599.db2.gz UZDSWLHLNKWPOR-GMTAPVOTSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 49565141 409372767 /nfs/dbraw/zinc/37/27/67/409372767.db2.gz UZDSWLHLNKWPOR-OUAUKWLOSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 49565141 409372764 /nfs/dbraw/zinc/37/27/64/409372764.db2.gz UZDSWLHLNKWPOR-OUAUKWLOSA-N 2 1 198.310 0.584 20 0 ACADMP COC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49707836 409372789 /nfs/dbraw/zinc/37/27/89/409372789.db2.gz ZAIRBXMMUUVIQS-UTLUCORTSA-N 2 1 186.299 0.690 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 49565140 409373086 /nfs/dbraw/zinc/37/30/86/409373086.db2.gz UZDSWLHLNKWPOR-GARJFASQSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 49565140 409373091 /nfs/dbraw/zinc/37/30/91/409373091.db2.gz UZDSWLHLNKWPOR-GARJFASQSA-N 2 1 198.310 0.584 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](C)O 49330091 409373137 /nfs/dbraw/zinc/37/31/37/409373137.db2.gz YMLVVVAJEBLABS-MRVPVSSYSA-N 2 1 183.255 0.162 20 0 ACADMP C[N@@H+](CCC[NH3+])CCn1cccn1 49313847 409373175 /nfs/dbraw/zinc/37/31/75/409373175.db2.gz RWGJCUSFDGTYSN-UHFFFAOYSA-N 2 1 182.271 0.164 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 49565136 409373305 /nfs/dbraw/zinc/37/33/05/409373305.db2.gz UZDSWLHLNKWPOR-HBNTYKKESA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 49565136 409373306 /nfs/dbraw/zinc/37/33/06/409373306.db2.gz UZDSWLHLNKWPOR-HBNTYKKESA-N 2 1 198.310 0.584 20 0 ACADMP CCOCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49711380 409373867 /nfs/dbraw/zinc/37/38/67/409373867.db2.gz ZJXJPOLUQGYDKQ-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](C)O 49330093 409373906 /nfs/dbraw/zinc/37/39/06/409373906.db2.gz YMLVVVAJEBLABS-QMMMGPOBSA-N 2 1 183.255 0.162 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49711381 409374543 /nfs/dbraw/zinc/37/45/43/409374543.db2.gz ZJXJPOLUQGYDKQ-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 50228089 409376934 /nfs/dbraw/zinc/37/69/34/409376934.db2.gz RTTDUZWORVRSPU-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 50228089 409376942 /nfs/dbraw/zinc/37/69/42/409376942.db2.gz RTTDUZWORVRSPU-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP CC(C)OCC[N@H+]1CC[C@H](C[NH3+])C1 50249409 409378741 /nfs/dbraw/zinc/37/87/41/409378741.db2.gz KVODPBCFTAHAET-SNVBAGLBSA-N 2 1 186.299 0.692 20 0 ACADMP CC[NH2+][C@](C)(C[NH3+])C1CC1 50270315 409378869 /nfs/dbraw/zinc/37/88/69/409378869.db2.gz HSQHRSMASJLQJO-MRVPVSSYSA-N 2 1 142.246 0.723 20 0 ACADMP CCn1cc(C[N@H+](C)CCC[NH3+])cn1 50539145 409379298 /nfs/dbraw/zinc/37/92/98/409379298.db2.gz WLTMUMNQRRLBKR-UHFFFAOYSA-N 2 1 196.298 0.684 20 0 ACADMP CCn1cc(C[N@@H+](C)CCC[NH3+])cn1 50539145 409379305 /nfs/dbraw/zinc/37/93/05/409379305.db2.gz WLTMUMNQRRLBKR-UHFFFAOYSA-N 2 1 196.298 0.684 20 0 ACADMP CC(C)OCC[N@H+]1CC[C@@H](C[NH3+])C1 50249410 409379695 /nfs/dbraw/zinc/37/96/95/409379695.db2.gz KVODPBCFTAHAET-JTQLQIEISA-N 2 1 186.299 0.692 20 0 ACADMP CC[NH2+][C@@H](C[NH3+])C(C)(C)C 50270357 409380150 /nfs/dbraw/zinc/38/01/50/409380150.db2.gz VZEDQLNZPSPKBU-ZETCQYMHSA-N 2 1 144.262 0.969 20 0 ACADMP COCC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 50245544 409379753 /nfs/dbraw/zinc/37/97/53/409379753.db2.gz IXRQTBHACKNYGF-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CC[NH2+][C@@](C)(C[NH3+])C(C)C 50270359 409380249 /nfs/dbraw/zinc/38/02/49/409380249.db2.gz JJSFLNDAWUCXBJ-QMMMGPOBSA-N 2 1 144.262 0.969 20 0 ACADMP CC[C@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 50424254 409380340 /nfs/dbraw/zinc/38/03/40/409380340.db2.gz QXZVKHIQXOOZQE-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 50424254 409380346 /nfs/dbraw/zinc/38/03/46/409380346.db2.gz QXZVKHIQXOOZQE-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CC[NH2+][C@](C)(C[NH3+])C(C)C 50270360 409380453 /nfs/dbraw/zinc/38/04/53/409380453.db2.gz JJSFLNDAWUCXBJ-MRVPVSSYSA-N 2 1 144.262 0.969 20 0 ACADMP COCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 50228090 409380757 /nfs/dbraw/zinc/38/07/57/409380757.db2.gz RTTDUZWORVRSPU-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 50228090 409380761 /nfs/dbraw/zinc/38/07/61/409380761.db2.gz RTTDUZWORVRSPU-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP CC[NH2+][C@@](C)(C[NH3+])C1CC1 50270314 409380814 /nfs/dbraw/zinc/38/08/14/409380814.db2.gz HSQHRSMASJLQJO-QMMMGPOBSA-N 2 1 142.246 0.723 20 0 ACADMP CC[NH2+][C@H](C[NH3+])C(C)(C)C 50270358 409380971 /nfs/dbraw/zinc/38/09/71/409380971.db2.gz VZEDQLNZPSPKBU-SSDOTTSWSA-N 2 1 144.262 0.969 20 0 ACADMP COCC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 50245543 409381088 /nfs/dbraw/zinc/38/10/88/409381088.db2.gz IXRQTBHACKNYGF-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@@H](C)C[N@@H+]1CCO[C@H](C[NH3+])C1 50424252 409381130 /nfs/dbraw/zinc/38/11/30/409381130.db2.gz QXZVKHIQXOOZQE-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CC[C@@H](C)C[N@H+]1CCO[C@H](C[NH3+])C1 50424252 409381135 /nfs/dbraw/zinc/38/11/35/409381135.db2.gz QXZVKHIQXOOZQE-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@H+]1CC[C@@H](C[NH2+]C)C1 53031269 409383685 /nfs/dbraw/zinc/38/36/85/409383685.db2.gz UQCSPWHBBBFOBS-JTQLQIEISA-N 2 1 186.299 0.564 20 0 ACADMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)COC)C1 53011343 409384397 /nfs/dbraw/zinc/38/43/97/409384397.db2.gz DWWGGUNONGBYNG-NXEZZACHSA-N 2 1 186.299 0.563 20 0 ACADMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)COC)C1 53011341 409384600 /nfs/dbraw/zinc/38/46/00/409384600.db2.gz DWWGGUNONGBYNG-VHSXEESVSA-N 2 1 186.299 0.563 20 0 ACADMP C[N@@H+](CCC[NH3+])CC1CCOCC1 52171439 409384622 /nfs/dbraw/zinc/38/46/22/409384622.db2.gz MPKQMKZAUKVSBS-UHFFFAOYSA-N 2 1 186.299 0.694 20 0 ACADMP CCOCC[N@H+]1CC[C@H](C[NH2+]C)C1 53031268 409384958 /nfs/dbraw/zinc/38/49/58/409384958.db2.gz UQCSPWHBBBFOBS-SNVBAGLBSA-N 2 1 186.299 0.564 20 0 ACADMP CC[NH2+]CC[NH2+][C@H](C)C1CC1 53387975 409386667 /nfs/dbraw/zinc/38/66/67/409386667.db2.gz YDGWHJFOFFLFPY-MRVPVSSYSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@@H](C)C(C)C 53387824 409387385 /nfs/dbraw/zinc/38/73/85/409387385.db2.gz ZSXBRCZKMIIMFR-QMMMGPOBSA-N 2 1 144.262 0.840 20 0 ACADMP CC[NH2+]CC[NH2+][C@@H](C)C1CC1 53387973 409387810 /nfs/dbraw/zinc/38/78/10/409387810.db2.gz YDGWHJFOFFLFPY-QMMMGPOBSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H](C)C(C)C 53387822 409388277 /nfs/dbraw/zinc/38/82/77/409388277.db2.gz ZSXBRCZKMIIMFR-MRVPVSSYSA-N 2 1 144.262 0.840 20 0 ACADMP COCC[NH2+][C@@H](C[NH3+])C(C)(C)C 53255767 409388473 /nfs/dbraw/zinc/38/84/73/409388473.db2.gz OKAMDKDRNOPJHX-QMMMGPOBSA-N 2 1 174.288 0.596 20 0 ACADMP COCC[NH2+][C@H](C[NH3+])C(C)(C)C 53255765 409388669 /nfs/dbraw/zinc/38/86/69/409388669.db2.gz OKAMDKDRNOPJHX-MRVPVSSYSA-N 2 1 174.288 0.596 20 0 ACADMP COCC[C@@H](C)[N@H+](C)CC[NH3+] 54417225 409394377 /nfs/dbraw/zinc/39/43/77/409394377.db2.gz RRVCFAVCCRBPJH-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP COCC[C@@H](C)[N@@H+](C)CC[NH3+] 54417225 409394383 /nfs/dbraw/zinc/39/43/83/409394383.db2.gz RRVCFAVCCRBPJH-MRVPVSSYSA-N 2 1 160.261 0.302 20 0 ACADMP COCC[C@H](C)[N@H+](C)CC[NH3+] 54417223 409394884 /nfs/dbraw/zinc/39/48/84/409394884.db2.gz RRVCFAVCCRBPJH-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP COCC[C@H](C)[N@@H+](C)CC[NH3+] 54417223 409394886 /nfs/dbraw/zinc/39/48/86/409394886.db2.gz RRVCFAVCCRBPJH-QMMMGPOBSA-N 2 1 160.261 0.302 20 0 ACADMP COCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63195905 409405575 /nfs/dbraw/zinc/40/55/75/409405575.db2.gz RWBMYWVKSYBGOW-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](CCC[NH3+])CCc1cccnc1 63221772 409406056 /nfs/dbraw/zinc/40/60/56/409406056.db2.gz UFBDKMWHFDOVKH-UHFFFAOYSA-N 2 1 193.294 0.905 20 0 ACADMP COCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 63195902 409406357 /nfs/dbraw/zinc/40/63/57/409406357.db2.gz RWBMYWVKSYBGOW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 63195902 409406361 /nfs/dbraw/zinc/40/63/61/409406361.db2.gz RWBMYWVKSYBGOW-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 63195904 409407127 /nfs/dbraw/zinc/40/71/27/409407127.db2.gz RWBMYWVKSYBGOW-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 63195904 409407130 /nfs/dbraw/zinc/40/71/30/409407130.db2.gz RWBMYWVKSYBGOW-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63195903 409407216 /nfs/dbraw/zinc/40/72/16/409407216.db2.gz RWBMYWVKSYBGOW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63195903 409407218 /nfs/dbraw/zinc/40/72/18/409407218.db2.gz RWBMYWVKSYBGOW-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](CCN1CC[NH2+]CC1)C1CCC1 68954858 409409370 /nfs/dbraw/zinc/40/93/70/409409370.db2.gz WNTYNHLEGJQYPL-UHFFFAOYSA-N 2 1 197.326 0.376 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](C[C@@H](C)O)C1CC1 655949248 409419367 /nfs/dbraw/zinc/41/93/67/409419367.db2.gz QVSGKLUZVKBTOE-HTQZYQBOSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C[C@@H](C)O)C1CC1 655949248 409419374 /nfs/dbraw/zinc/41/93/74/409419374.db2.gz QVSGKLUZVKBTOE-HTQZYQBOSA-N 2 1 172.272 0.179 20 0 ACADMP C[NH2+]CCC[N@@H+](C[C@H](C)O)C1CC1 655949103 409419647 /nfs/dbraw/zinc/41/96/47/409419647.db2.gz MMKYGSANIUKCRH-VIFPVBQESA-N 2 1 186.299 0.441 20 0 ACADMP C[C@H]([NH3+])C[N@H+](C[C@H](C)O)C1CC1 655949251 409419859 /nfs/dbraw/zinc/41/98/59/409419859.db2.gz QVSGKLUZVKBTOE-YUMQZZPRSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C[C@H](C)O)C1CC1 655949251 409419864 /nfs/dbraw/zinc/41/98/64/409419864.db2.gz QVSGKLUZVKBTOE-YUMQZZPRSA-N 2 1 172.272 0.179 20 0 ACADMP C[NH2+]CCC[N@@H+](C[C@@H](C)O)C1CC1 655949102 409419919 /nfs/dbraw/zinc/41/99/19/409419919.db2.gz MMKYGSANIUKCRH-SECBINFHSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@H]([NH3+])C[N@H+](C[C@@H](C)O)C1CC1 655949249 409420266 /nfs/dbraw/zinc/42/02/66/409420266.db2.gz QVSGKLUZVKBTOE-JGVFFNPUSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C[C@@H](C)O)C1CC1 655949249 409420270 /nfs/dbraw/zinc/42/02/70/409420270.db2.gz QVSGKLUZVKBTOE-JGVFFNPUSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@@H](O)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 655949161 409420303 /nfs/dbraw/zinc/42/03/03/409420303.db2.gz OBGHHWDDVYNYJP-NXEZZACHSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](O)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 655949162 409420512 /nfs/dbraw/zinc/42/05/12/409420512.db2.gz OBGHHWDDVYNYJP-UWVGGRQHSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H](O)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 655949164 409420717 /nfs/dbraw/zinc/42/07/17/409420717.db2.gz OBGHHWDDVYNYJP-ZJUUUORDSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](O)C[N@@H+](C[C@@H](C)[NH3+])C1CC1 655949250 409420875 /nfs/dbraw/zinc/42/08/75/409420875.db2.gz QVSGKLUZVKBTOE-SFYZADRCSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H](O)C[N@H+](C[C@@H](C)[NH3+])C1CC1 655949250 409420880 /nfs/dbraw/zinc/42/08/80/409420880.db2.gz QVSGKLUZVKBTOE-SFYZADRCSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H](O)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 655949163 409420942 /nfs/dbraw/zinc/42/09/42/409420942.db2.gz OBGHHWDDVYNYJP-VHSXEESVSA-N 2 1 198.310 0.441 20 0 ACADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 656192660 409421922 /nfs/dbraw/zinc/42/19/22/409421922.db2.gz QWKGXJOKNVTVPO-KOLCDFICSA-N 3 1 197.326 0.598 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192581 409422028 /nfs/dbraw/zinc/42/20/28/409422028.db2.gz DTCCVZAVDCDPAP-UTLUCORTSA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192580 409422081 /nfs/dbraw/zinc/42/20/81/409422081.db2.gz DTCCVZAVDCDPAP-OPRDCNLKSA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192578 409422188 /nfs/dbraw/zinc/42/21/88/409422188.db2.gz DTCCVZAVDCDPAP-BBBLOLIVSA-N 3 1 185.315 0.441 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192594 409422308 /nfs/dbraw/zinc/42/23/08/409422308.db2.gz HLNJTHJAZYVWAV-VHSXEESVSA-N 3 1 185.315 0.455 20 0 ACADMP C[NH2+]CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 656192593 409422380 /nfs/dbraw/zinc/42/23/80/409422380.db2.gz HLNJTHJAZYVWAV-UWVGGRQHSA-N 3 1 185.315 0.455 20 0 ACADMP C[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656192592 409422407 /nfs/dbraw/zinc/42/24/07/409422407.db2.gz HLNJTHJAZYVWAV-NXEZZACHSA-N 3 1 185.315 0.455 20 0 ACADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 656192661 409422448 /nfs/dbraw/zinc/42/24/48/409422448.db2.gz QWKGXJOKNVTVPO-MWLCHTKSSA-N 3 1 197.326 0.598 20 0 ACADMP C[NH2+]CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656192595 409422954 /nfs/dbraw/zinc/42/29/54/409422954.db2.gz HLNJTHJAZYVWAV-ZJUUUORDSA-N 3 1 185.315 0.455 20 0 ACADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 656192659 409423003 /nfs/dbraw/zinc/42/30/03/409423003.db2.gz QWKGXJOKNVTVPO-GXSJLCMTSA-N 3 1 197.326 0.598 20 0 ACADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656192579 409423051 /nfs/dbraw/zinc/42/30/51/409423051.db2.gz DTCCVZAVDCDPAP-KXUCPTDWSA-N 3 1 185.315 0.441 20 0 ACADMP C[C@H](CC[NH3+])[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656193202 409424206 /nfs/dbraw/zinc/42/42/06/409424206.db2.gz ZARDBBCPJOLWSI-KXUCPTDWSA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H](CC[NH3+])[NH2+][C@H]1CCC[C@H]([NH3+])C1 656193204 409424214 /nfs/dbraw/zinc/42/42/14/409424214.db2.gz ZARDBBCPJOLWSI-UTLUCORTSA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H](O)C[N@H+](CC(C)(C)[NH3+])C1CC1 656195017 409424333 /nfs/dbraw/zinc/42/43/33/409424333.db2.gz WRFUUPWFGXOANS-QMMMGPOBSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@H](O)C[N@@H+](CC(C)(C)[NH3+])C1CC1 656195017 409424336 /nfs/dbraw/zinc/42/43/36/409424336.db2.gz WRFUUPWFGXOANS-QMMMGPOBSA-N 2 1 186.299 0.569 20 0 ACADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656199909 409424420 /nfs/dbraw/zinc/42/44/20/409424420.db2.gz BRJZRSKNDKFVCM-GHMZBOCLSA-N 3 1 199.342 0.846 20 0 ACADMP CC[NH2+]CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656199911 409424459 /nfs/dbraw/zinc/42/44/59/409424459.db2.gz BRJZRSKNDKFVCM-MNOVXSKESA-N 3 1 199.342 0.846 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 656193347 409424483 /nfs/dbraw/zinc/42/44/83/409424483.db2.gz HLRIOEUONJYZTJ-NAKRPEOUSA-N 3 1 199.342 0.972 20 0 ACADMP C[C@@H](O)C[N@H+](CC(C)(C)[NH3+])C1CC1 656195016 409424598 /nfs/dbraw/zinc/42/45/98/409424598.db2.gz WRFUUPWFGXOANS-MRVPVSSYSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@@H](O)C[N@@H+](CC(C)(C)[NH3+])C1CC1 656195016 409424602 /nfs/dbraw/zinc/42/46/02/409424602.db2.gz WRFUUPWFGXOANS-MRVPVSSYSA-N 2 1 186.299 0.569 20 0 ACADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656199914 409424723 /nfs/dbraw/zinc/42/47/23/409424723.db2.gz BRJZRSKNDKFVCM-WDEREUQCSA-N 3 1 199.342 0.846 20 0 ACADMP C[C@H](CC[NH3+])[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656193201 409425071 /nfs/dbraw/zinc/42/50/71/409425071.db2.gz ZARDBBCPJOLWSI-BBBLOLIVSA-N 3 1 185.315 0.583 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656193348 409425094 /nfs/dbraw/zinc/42/50/94/409425094.db2.gz HLRIOEUONJYZTJ-UKKRHICBSA-N 3 1 199.342 0.972 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 656193349 409425102 /nfs/dbraw/zinc/42/51/02/409425102.db2.gz HLRIOEUONJYZTJ-XWLWVQCSSA-N 3 1 199.342 0.972 20 0 ACADMP CC[NH2+]CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 656199913 409425113 /nfs/dbraw/zinc/42/51/13/409425113.db2.gz BRJZRSKNDKFVCM-QWRGUYRKSA-N 3 1 199.342 0.846 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 656193346 409425257 /nfs/dbraw/zinc/42/52/57/409425257.db2.gz HLRIOEUONJYZTJ-MMWGEVLESA-N 3 1 199.342 0.972 20 0 ACADMP C[C@H](CC[NH3+])[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 656193203 409425359 /nfs/dbraw/zinc/42/53/59/409425359.db2.gz ZARDBBCPJOLWSI-OPRDCNLKSA-N 3 1 185.315 0.583 20 0 ACADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1 656192662 409425497 /nfs/dbraw/zinc/42/54/97/409425497.db2.gz QWKGXJOKNVTVPO-ONGXEEELSA-N 3 1 197.326 0.598 20 0 ACADMP COCCCC[N@@H+]1CCC[C@H]([NH3+])C1 70585930 409427357 /nfs/dbraw/zinc/42/73/57/409427357.db2.gz OOBWYNFNZJRTCY-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP COCCCC[N@H+]1CCC[C@H]([NH3+])C1 70585930 409427361 /nfs/dbraw/zinc/42/73/61/409427361.db2.gz OOBWYNFNZJRTCY-JTQLQIEISA-N 2 1 186.299 0.836 20 0 ACADMP COCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 70585931 409428512 /nfs/dbraw/zinc/42/85/12/409428512.db2.gz OOBWYNFNZJRTCY-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP COCCCC[N@H+]1CCC[C@@H]([NH3+])C1 70585931 409428515 /nfs/dbraw/zinc/42/85/15/409428515.db2.gz OOBWYNFNZJRTCY-SNVBAGLBSA-N 2 1 186.299 0.836 20 0 ACADMP C[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 71010980 409436802 /nfs/dbraw/zinc/43/68/02/409436802.db2.gz QLJYVABPLUMSSF-LLVKDONJSA-N 2 1 198.310 0.849 20 0 ACADMP CC[C@@H]1CCCC[N@H+]1CCNC(N)=[NH2+] 71507752 409437574 /nfs/dbraw/zinc/43/75/74/409437574.db2.gz IKJMZUPUGGFBSB-SECBINFHSA-N 2 1 198.314 0.734 20 0 ACADMP CC[C@H]1CCCC[N@H+]1CCNC(N)=[NH2+] 71507753 409437868 /nfs/dbraw/zinc/43/78/68/409437868.db2.gz IKJMZUPUGGFBSB-VIFPVBQESA-N 2 1 198.314 0.734 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 71010985 409438123 /nfs/dbraw/zinc/43/81/23/409438123.db2.gz QLJYVABPLUMSSF-NSHDSACASA-N 2 1 198.310 0.849 20 0 ACADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(N)=[NH2+])C1 656508589 409439831 /nfs/dbraw/zinc/43/98/31/409439831.db2.gz OXBFRYPGDKFEMU-QMMMGPOBSA-N 2 1 198.314 0.590 20 0 ACADMP CC(C)(C)[N@H+]1CC[C@H](CNC(N)=[NH2+])C1 656508588 409439897 /nfs/dbraw/zinc/43/98/97/409439897.db2.gz OXBFRYPGDKFEMU-MRVPVSSYSA-N 2 1 198.314 0.590 20 0 ACADMP [NH3+]CC1CCC(N[C@H]2CC[NH2+]C2)CC1 656788190 409450136 /nfs/dbraw/zinc/45/01/36/409450136.db2.gz SHSNZXXCPRQMNI-ILDUYXDCSA-N 2 1 197.326 0.455 20 0 ACADMP C[C@@H]1C[C@H](CN[C@H]2CC[NH2+]C2)CC[NH2+]1 656788183 409450349 /nfs/dbraw/zinc/45/03/49/409450349.db2.gz RCTOZCZDLKYCEA-MXWKQRLJSA-N 2 1 197.326 0.326 20 0 ACADMP C[C@H]1C[C@H](CN[C@H]2CC[NH2+]C2)CC[NH2+]1 656788179 409450496 /nfs/dbraw/zinc/45/04/96/409450496.db2.gz RCTOZCZDLKYCEA-AXFHLTTASA-N 2 1 197.326 0.326 20 0 ACADMP C[C@H]1C[C@@H](CN[C@H]2CC[NH2+]C2)CC[NH2+]1 656788181 409450651 /nfs/dbraw/zinc/45/06/51/409450651.db2.gz RCTOZCZDLKYCEA-DCAQKATOSA-N 2 1 197.326 0.326 20 0 ACADMP C[N@@H+](CC1CC[NH2+]CC1)CC(C)(C)N 656785225 409450720 /nfs/dbraw/zinc/45/07/20/409450720.db2.gz LQWWTKPLRFTMBN-UHFFFAOYSA-N 3 1 199.342 0.655 20 0 ACADMP CN(CC1CC[NH2+]CC1)CC(C)(C)[NH3+] 656785225 409450723 /nfs/dbraw/zinc/45/07/23/409450723.db2.gz LQWWTKPLRFTMBN-UHFFFAOYSA-N 3 1 199.342 0.655 20 0 ACADMP CN(Cc1cnc[nH]1)CC(C)(C)[NH3+] 656785723 409450911 /nfs/dbraw/zinc/45/09/11/409450911.db2.gz IZTKTPADQIFRBT-UHFFFAOYSA-N 2 1 182.271 0.579 20 0 ACADMP C[C@@H]1C[C@@H](CN[C@H]2CC[NH2+]C2)CC[NH2+]1 656788184 409451032 /nfs/dbraw/zinc/45/10/32/409451032.db2.gz RCTOZCZDLKYCEA-VWYCJHECSA-N 2 1 197.326 0.326 20 0 ACADMP C[N@@H+](CCC[NH3+])CC1=CCCOC1 656790609 409452243 /nfs/dbraw/zinc/45/22/43/409452243.db2.gz DDBAKSUOBXPISB-UHFFFAOYSA-N 2 1 184.283 0.614 20 0 ACADMP CC[NH2+]CC[NH2+]CC1CC[NH2+]CC1 107801747 409458414 /nfs/dbraw/zinc/45/84/14/409458414.db2.gz IUMUBTAOGUFBCV-UHFFFAOYSA-N 3 1 185.315 0.185 20 0 ACADMP CCOCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122303620 409466207 /nfs/dbraw/zinc/46/62/07/409466207.db2.gz AJKATGZPMZINCP-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122303387 409466229 /nfs/dbraw/zinc/46/62/29/409466229.db2.gz AJKATGZPMZINCP-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP CC(C)[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 125360088 409470192 /nfs/dbraw/zinc/47/01/92/409470192.db2.gz QDOXNPBLBVLFMF-IUCAKERBSA-N 2 1 172.272 0.443 20 0 ACADMP CC(C)[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 125360088 409470203 /nfs/dbraw/zinc/47/02/03/409470203.db2.gz QDOXNPBLBVLFMF-IUCAKERBSA-N 2 1 172.272 0.443 20 0 ACADMP CC(C)[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 125360287 409470806 /nfs/dbraw/zinc/47/08/06/409470806.db2.gz QDOXNPBLBVLFMF-DTWKUNHWSA-N 2 1 172.272 0.443 20 0 ACADMP CC(C)[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 125360287 409470815 /nfs/dbraw/zinc/47/08/15/409470815.db2.gz QDOXNPBLBVLFMF-DTWKUNHWSA-N 2 1 172.272 0.443 20 0 ACADMP CC[N@@H+](CCCO)CCC[NH2+]C 124640932 409471775 /nfs/dbraw/zinc/47/17/75/409471775.db2.gz HQURIHATWXYEKN-UHFFFAOYSA-N 2 1 174.288 0.300 20 0 ACADMP CCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 125365658 409472976 /nfs/dbraw/zinc/47/29/76/409472976.db2.gz GIEHRYDZWPUUBK-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP CCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 125365658 409472978 /nfs/dbraw/zinc/47/29/78/409472978.db2.gz GIEHRYDZWPUUBK-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP C[C@@H](C[NH3+])[N@@H+](C)CC[C@@H]1CCCO1 125516565 409473821 /nfs/dbraw/zinc/47/38/21/409473821.db2.gz OMCPAIQFXNRCPJ-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H](C[NH3+])[N@H+](C)CC[C@@H]1CCCO1 125516819 409473860 /nfs/dbraw/zinc/47/38/60/409473860.db2.gz OMCPAIQFXNRCPJ-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H](C[NH3+])[N@@H+](C)CC[C@@H]1CCCO1 125516819 409473865 /nfs/dbraw/zinc/47/38/65/409473865.db2.gz OMCPAIQFXNRCPJ-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 125365874 409474193 /nfs/dbraw/zinc/47/41/93/409474193.db2.gz GIEHRYDZWPUUBK-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP CCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 125365874 409474198 /nfs/dbraw/zinc/47/41/98/409474198.db2.gz GIEHRYDZWPUUBK-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP COCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C 126717313 409474943 /nfs/dbraw/zinc/47/49/43/409474943.db2.gz IBZGYCHFEDBGKJ-SNVBAGLBSA-N 2 1 188.315 0.938 20 0 ACADMP [NH3+]CCOCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126297438 409475810 /nfs/dbraw/zinc/47/58/10/409475810.db2.gz LTEBSBWDXYWINM-PHIMTYICSA-N 2 1 198.310 0.694 20 0 ACADMP COCC[N@@H+](C)CC[C@H]([NH3+])C(C)C 126717595 409475918 /nfs/dbraw/zinc/47/59/18/409475918.db2.gz IBZGYCHFEDBGKJ-JTQLQIEISA-N 2 1 188.315 0.938 20 0 ACADMP COCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 126979337 409477622 /nfs/dbraw/zinc/47/76/22/409477622.db2.gz CQJJZISWFVUFPE-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 126979130 409478141 /nfs/dbraw/zinc/47/81/41/409478141.db2.gz CQJJZISWFVUFPE-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP COCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 126978647 409478162 /nfs/dbraw/zinc/47/81/62/409478162.db2.gz CQJJZISWFVUFPE-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 127612640 409478653 /nfs/dbraw/zinc/47/86/53/409478653.db2.gz UPLMVZXHZKMGLM-AXFHLTTASA-N 2 1 198.310 0.692 20 0 ACADMP COCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126978911 409479003 /nfs/dbraw/zinc/47/90/03/409479003.db2.gz CQJJZISWFVUFPE-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 130334633 409482811 /nfs/dbraw/zinc/48/28/11/409482811.db2.gz QWCFOSQJSLCEEW-GARJFASQSA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 130335138 409483695 /nfs/dbraw/zinc/48/36/95/409483695.db2.gz QWCFOSQJSLCEEW-DCAQKATOSA-N 2 1 199.342 0.796 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCCCOC 131068165 409484020 /nfs/dbraw/zinc/48/40/20/409484020.db2.gz NMMIWDWSJXJZPV-UHFFFAOYSA-N 2 1 188.315 0.954 20 0 ACADMP C[NH+]1CCC([NH2+]C/C=C\CO)CC1 657594154 409485224 /nfs/dbraw/zinc/48/52/24/409485224.db2.gz ZGWSBGMHYGEHGB-IHWYPQMZSA-N 2 1 184.283 0.219 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC2)CCO1 133326974 409493974 /nfs/dbraw/zinc/49/39/74/409493974.db2.gz YIXIABUETJEIRY-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CCC2)CCO1 133326974 409493972 /nfs/dbraw/zinc/49/39/72/409493972.db2.gz YIXIABUETJEIRY-KOLCDFICSA-N 2 1 198.310 0.835 20 0 ACADMP COCC[C@@H](C)[N@@H+](C)CCC[NH3+] 133210085 409494323 /nfs/dbraw/zinc/49/43/23/409494323.db2.gz UFPKXPAJRVXTTB-SECBINFHSA-N 2 1 174.288 0.692 20 0 ACADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CCC2)CCO1 133327383 409494482 /nfs/dbraw/zinc/49/44/82/409494482.db2.gz YIXIABUETJEIRY-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CCC2)CCO1 133327383 409494485 /nfs/dbraw/zinc/49/44/85/409494485.db2.gz YIXIABUETJEIRY-MWLCHTKSSA-N 2 1 198.310 0.835 20 0 ACADMP CCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 133320585 409494564 /nfs/dbraw/zinc/49/45/64/409494564.db2.gz LRAVPLUUFVJTRM-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 133320585 409494568 /nfs/dbraw/zinc/49/45/68/409494568.db2.gz LRAVPLUUFVJTRM-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP COCC[C@H](C)[N@@H+](C)CCC[NH3+] 133209878 409494612 /nfs/dbraw/zinc/49/46/12/409494612.db2.gz UFPKXPAJRVXTTB-VIFPVBQESA-N 2 1 174.288 0.692 20 0 ACADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CCC2)CCO1 133327186 409494723 /nfs/dbraw/zinc/49/47/23/409494723.db2.gz YIXIABUETJEIRY-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CCC2)CCO1 133327186 409494725 /nfs/dbraw/zinc/49/47/25/409494725.db2.gz YIXIABUETJEIRY-GXSJLCMTSA-N 2 1 198.310 0.835 20 0 ACADMP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 657789983 409495535 /nfs/dbraw/zinc/49/55/35/409495535.db2.gz SUIQAJXLHAZBFG-MNOVXSKESA-N 2 1 198.310 0.848 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCC2)CCO1 133326776 409495712 /nfs/dbraw/zinc/49/57/12/409495712.db2.gz YIXIABUETJEIRY-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC2)CCO1 133326776 409495718 /nfs/dbraw/zinc/49/57/18/409495718.db2.gz YIXIABUETJEIRY-ONGXEEELSA-N 2 1 198.310 0.835 20 0 ACADMP CCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 133320778 409496104 /nfs/dbraw/zinc/49/61/04/409496104.db2.gz LRAVPLUUFVJTRM-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 133320778 409496111 /nfs/dbraw/zinc/49/61/11/409496111.db2.gz LRAVPLUUFVJTRM-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCOC1 133883270 409498433 /nfs/dbraw/zinc/49/84/33/409498433.db2.gz FXNQZTLPULMFKF-NXEZZACHSA-N 2 1 184.283 0.317 20 0 ACADMP C[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 657809858 409498539 /nfs/dbraw/zinc/49/85/39/409498539.db2.gz PRQYOEQOAQOBHD-MGCOHNPYSA-N 2 1 184.283 0.194 20 0 ACADMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCOC1 133883502 409498921 /nfs/dbraw/zinc/49/89/21/409498921.db2.gz FXNQZTLPULMFKF-VHSXEESVSA-N 2 1 184.283 0.317 20 0 ACADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2CC2)CCO1 134158283 409499628 /nfs/dbraw/zinc/49/96/28/409499628.db2.gz DXJUOHGOCHGJET-PSASIEDQSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2CC2)CCO1 134158283 409499637 /nfs/dbraw/zinc/49/96/37/409499637.db2.gz DXJUOHGOCHGJET-PSASIEDQSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2CC2)CCO1 134158095 409499905 /nfs/dbraw/zinc/49/99/05/409499905.db2.gz DXJUOHGOCHGJET-WCBMZHEXSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2CC2)CCO1 134158095 409499910 /nfs/dbraw/zinc/49/99/10/409499910.db2.gz DXJUOHGOCHGJET-WCBMZHEXSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2CC2)CCO1 134157919 409500080 /nfs/dbraw/zinc/50/00/80/409500080.db2.gz DXJUOHGOCHGJET-SCZZXKLOSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2CC2)CCO1 134157919 409500086 /nfs/dbraw/zinc/50/00/86/409500086.db2.gz DXJUOHGOCHGJET-SCZZXKLOSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CC2)CCO1 134157712 409500201 /nfs/dbraw/zinc/50/02/01/409500201.db2.gz DXJUOHGOCHGJET-WPRPVWTQSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CC2)CCO1 134157712 409500208 /nfs/dbraw/zinc/50/02/08/409500208.db2.gz DXJUOHGOCHGJET-WPRPVWTQSA-N 2 1 184.283 0.444 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]C/C=C/CO)CC[N@H+]1C 658135718 409509782 /nfs/dbraw/zinc/50/97/82/409509782.db2.gz VAXBQFIFJOGSDY-YIZUVKHSSA-N 2 1 198.310 0.607 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)CC[N@H+]1C 658135715 409509802 /nfs/dbraw/zinc/50/98/02/409509802.db2.gz VAXBQFIFJOGSDY-CJOPTALJSA-N 2 1 198.310 0.607 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)CC[N@H+]1C 658135717 409509917 /nfs/dbraw/zinc/50/99/17/409509917.db2.gz VAXBQFIFJOGSDY-YHROSDCASA-N 2 1 198.310 0.607 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]C/C=C\CO)CC[N@H+]1C 658135713 409510070 /nfs/dbraw/zinc/51/00/70/409510070.db2.gz VAXBQFIFJOGSDY-ANDSXOESSA-N 2 1 198.310 0.607 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 218405507 409514902 /nfs/dbraw/zinc/51/49/02/409514902.db2.gz GTNRINPZPQLIAD-QWRGUYRKSA-N 2 1 198.310 0.836 20 0 ACADMP CCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 219808463 409516248 /nfs/dbraw/zinc/51/62/48/409516248.db2.gz ZJXJPOLUQGYDKQ-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP COCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219796421 409517443 /nfs/dbraw/zinc/51/74/43/409517443.db2.gz WVOMXEWCLHOOQY-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219808402 409517573 /nfs/dbraw/zinc/51/75/73/409517573.db2.gz ZJXJPOLUQGYDKQ-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP COC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050349 409531806 /nfs/dbraw/zinc/53/18/06/409531806.db2.gz ZBQKXZXBNKJYKT-HRDYMLBCSA-N 2 1 172.272 0.300 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1C 658349205 409520193 /nfs/dbraw/zinc/52/01/93/409520193.db2.gz GUHQTCXPTMCWHX-VLEAKVRGSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1C 658349205 409520198 /nfs/dbraw/zinc/52/01/98/409520198.db2.gz GUHQTCXPTMCWHX-VLEAKVRGSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1C 658349203 409520749 /nfs/dbraw/zinc/52/07/49/409520749.db2.gz GUHQTCXPTMCWHX-LMLFDSFASA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1C 658349203 409520751 /nfs/dbraw/zinc/52/07/51/409520751.db2.gz GUHQTCXPTMCWHX-LMLFDSFASA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1C 658349202 409520809 /nfs/dbraw/zinc/52/08/09/409520809.db2.gz GUHQTCXPTMCWHX-GWOFURMSSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1C 658349202 409520813 /nfs/dbraw/zinc/52/08/13/409520813.db2.gz GUHQTCXPTMCWHX-GWOFURMSSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@@H+]1C 658349204 409521327 /nfs/dbraw/zinc/52/13/27/409521327.db2.gz GUHQTCXPTMCWHX-NAKRPEOUSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)CC[N@H+]1C 658349204 409521333 /nfs/dbraw/zinc/52/13/33/409521333.db2.gz GUHQTCXPTMCWHX-NAKRPEOUSA-N 2 1 198.310 0.582 20 0 ACADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 658351964 409523702 /nfs/dbraw/zinc/52/37/02/409523702.db2.gz RMCFDHUJDHXKGR-XYPYZODXSA-N 2 1 198.310 0.584 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050349 409531803 /nfs/dbraw/zinc/53/18/03/409531803.db2.gz ZBQKXZXBNKJYKT-HRDYMLBCSA-N 2 1 172.272 0.300 20 0 ACADMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 300363716 409531898 /nfs/dbraw/zinc/53/18/98/409531898.db2.gz XLUKKMBTOBMKAR-QWRGUYRKSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCCO1 300057804 409532481 /nfs/dbraw/zinc/53/24/81/409532481.db2.gz SFLKAXAXJWVUSC-HBNTYKKESA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 300057803 409533195 /nfs/dbraw/zinc/53/31/95/409533195.db2.gz SFLKAXAXJWVUSC-GARJFASQSA-N 2 1 198.310 0.896 20 0 ACADMP COC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049265 409533367 /nfs/dbraw/zinc/53/33/67/409533367.db2.gz RBQPWJKQSOOPDO-OPRDCNLKSA-N 2 1 186.299 0.548 20 0 ACADMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 300363717 409533641 /nfs/dbraw/zinc/53/36/41/409533641.db2.gz XLUKKMBTOBMKAR-WDEREUQCSA-N 2 1 198.310 0.694 20 0 ACADMP CC(C)[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 300922813 409540252 /nfs/dbraw/zinc/54/02/52/409540252.db2.gz UQMAYHNWUFYREF-AXFHLTTASA-N 2 1 198.310 0.155 20 0 ACADMP CC(C)[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 300922821 409540372 /nfs/dbraw/zinc/54/03/72/409540372.db2.gz UQMAYHNWUFYREF-OUAUKWLOSA-N 2 1 198.310 0.155 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 306318278 409558184 /nfs/dbraw/zinc/55/81/84/409558184.db2.gz SCSQRPWODFECGR-KXUCPTDWSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 306318278 409558189 /nfs/dbraw/zinc/55/81/89/409558189.db2.gz SCSQRPWODFECGR-KXUCPTDWSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 306318271 409558250 /nfs/dbraw/zinc/55/82/50/409558250.db2.gz SCSQRPWODFECGR-BBBLOLIVSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 306318271 409558255 /nfs/dbraw/zinc/55/82/55/409558255.db2.gz SCSQRPWODFECGR-BBBLOLIVSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCO[C@H](C[NH3+])C1 306318286 409558598 /nfs/dbraw/zinc/55/85/98/409558598.db2.gz SCSQRPWODFECGR-OPRDCNLKSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@@H]1C[N@H+]1CCO[C@H](C[NH3+])C1 306318286 409558604 /nfs/dbraw/zinc/55/86/04/409558604.db2.gz SCSQRPWODFECGR-OPRDCNLKSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@H]1C[N@@H+]1CCO[C@@H](C[NH3+])C1 306318294 409558708 /nfs/dbraw/zinc/55/87/08/409558708.db2.gz SCSQRPWODFECGR-UTLUCORTSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@H]1C[C@H]1C[N@H+]1CCO[C@@H](C[NH3+])C1 306318294 409558712 /nfs/dbraw/zinc/55/87/12/409558712.db2.gz SCSQRPWODFECGR-UTLUCORTSA-N 2 1 184.283 0.302 20 0 ACADMP C[C@@]1(C[N@H+]2CC[C@@H](CO)C2)CC[NH2+]C1 306510393 409573808 /nfs/dbraw/zinc/57/38/08/409573808.db2.gz KYVAIGYUUUYQKE-GHMZBOCLSA-N 2 1 198.310 0.300 20 0 ACADMP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 306957746 409602431 /nfs/dbraw/zinc/60/24/31/409602431.db2.gz UKPSLOTZJNKUFD-RCWTZXSCSA-N 2 1 198.310 0.894 20 0 ACADMP C[NH2+]Cc1nc(C2([NH3+])CCCC2)no1 306957605 409603051 /nfs/dbraw/zinc/60/30/51/409603051.db2.gz UEDBQORQEIAJHW-UHFFFAOYSA-N 2 1 196.254 0.517 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)[C@@H](C)O1 306957745 409603153 /nfs/dbraw/zinc/60/31/53/409603153.db2.gz UKPSLOTZJNKUFD-DBIOUOCHSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@@H](C)O1 306957748 409603462 /nfs/dbraw/zinc/60/34/62/409603462.db2.gz UKPSLOTZJNKUFD-ZNSHCXBVSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 306957747 409603990 /nfs/dbraw/zinc/60/39/90/409603990.db2.gz UKPSLOTZJNKUFD-YTWAJWBKSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]([NH3+])[C@H]1C[N@H+](CC2(C)CC2)CCO1 307127296 409616160 /nfs/dbraw/zinc/61/61/60/409616160.db2.gz IYJWJSYLOJLBFN-NXEZZACHSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC2(C)CC2)CCO1 307127296 409616167 /nfs/dbraw/zinc/61/61/67/409616167.db2.gz IYJWJSYLOJLBFN-NXEZZACHSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@H]1C[N@H+](CC2(C)CC2)CCO1 307127298 409617042 /nfs/dbraw/zinc/61/70/42/409617042.db2.gz IYJWJSYLOJLBFN-VHSXEESVSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@H]1C[N@@H+](CC2(C)CC2)CCO1 307127298 409617049 /nfs/dbraw/zinc/61/70/49/409617049.db2.gz IYJWJSYLOJLBFN-VHSXEESVSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC2(C)CC2)CCO1 307127299 409617265 /nfs/dbraw/zinc/61/72/65/409617265.db2.gz IYJWJSYLOJLBFN-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC2(C)CC2)CCO1 307127299 409617262 /nfs/dbraw/zinc/61/72/62/409617262.db2.gz IYJWJSYLOJLBFN-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP CN(C)c1cc(NC(=O)C[NH3+])cc[nH+]1 307113012 409617473 /nfs/dbraw/zinc/61/74/73/409617473.db2.gz MJWFYPWGXRPTCB-UHFFFAOYSA-N 2 1 194.238 0.045 20 0 ACADMP CC1([NH3+])CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 307100774 409617876 /nfs/dbraw/zinc/61/78/76/409617876.db2.gz TYGDSSCTXMASAS-SNVBAGLBSA-N 3 1 197.326 0.409 20 0 ACADMP CC1([NH3+])CC[NH+](C[C@H]2CC[NH2+]C2)CC1 307100773 409617990 /nfs/dbraw/zinc/61/79/90/409617990.db2.gz TYGDSSCTXMASAS-JTQLQIEISA-N 3 1 197.326 0.409 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2(C)CC2)CCO1 307127297 409618016 /nfs/dbraw/zinc/61/80/16/409618016.db2.gz IYJWJSYLOJLBFN-UWVGGRQHSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2(C)CC2)CCO1 307127297 409618022 /nfs/dbraw/zinc/61/80/22/409618022.db2.gz IYJWJSYLOJLBFN-UWVGGRQHSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 307141896 409621627 /nfs/dbraw/zinc/62/16/27/409621627.db2.gz JIWUFDOXDMPPQV-LURJTMIESA-N 2 1 196.254 0.817 20 0 ACADMP C[C@@H]1OCC[N@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 307205663 409625950 /nfs/dbraw/zinc/62/59/50/409625950.db2.gz HNTQLVYUPDFKRA-VWYCJHECSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@H]1C 307205661 409626775 /nfs/dbraw/zinc/62/67/75/409626775.db2.gz HNTQLVYUPDFKRA-GARJFASQSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 307205663 409625961 /nfs/dbraw/zinc/62/59/61/409625961.db2.gz HNTQLVYUPDFKRA-VWYCJHECSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 307205662 409626978 /nfs/dbraw/zinc/62/69/78/409626978.db2.gz HNTQLVYUPDFKRA-OUAUKWLOSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]1C 307205661 409626783 /nfs/dbraw/zinc/62/67/83/409626783.db2.gz HNTQLVYUPDFKRA-GARJFASQSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 307205662 409626975 /nfs/dbraw/zinc/62/69/75/409626975.db2.gz HNTQLVYUPDFKRA-OUAUKWLOSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@H+](C[C@H]2CC[NH2+]C2)[C@H]1C 307205660 409627212 /nfs/dbraw/zinc/62/72/12/409627212.db2.gz HNTQLVYUPDFKRA-DCAQKATOSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@@H]1OCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H]1C 307205660 409627216 /nfs/dbraw/zinc/62/72/16/409627216.db2.gz HNTQLVYUPDFKRA-DCAQKATOSA-N 2 1 198.310 0.705 20 0 ACADMP C[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] 307611467 409657530 /nfs/dbraw/zinc/65/75/30/409657530.db2.gz JPWGPUCGVXZTGO-ZETCQYMHSA-N 2 1 160.261 0.036 20 0 ACADMP C[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] 307611467 409657538 /nfs/dbraw/zinc/65/75/38/409657538.db2.gz JPWGPUCGVXZTGO-ZETCQYMHSA-N 2 1 160.261 0.036 20 0 ACADMP C[NH2+]CC[NH2+][C@@H]1CCC1(C)C 307619180 409658172 /nfs/dbraw/zinc/65/81/72/409658172.db2.gz WPEDXWADKREUCV-MRVPVSSYSA-N 2 1 156.273 0.984 20 0 ACADMP C[NH2+]CC[NH2+][C@H]1CCC1(C)C 307619181 409659281 /nfs/dbraw/zinc/65/92/81/409659281.db2.gz WPEDXWADKREUCV-QMMMGPOBSA-N 2 1 156.273 0.984 20 0 ACADMP C[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] 307611466 409659353 /nfs/dbraw/zinc/65/93/53/409659353.db2.gz JPWGPUCGVXZTGO-SSDOTTSWSA-N 2 1 160.261 0.036 20 0 ACADMP C[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] 307611466 409659360 /nfs/dbraw/zinc/65/93/60/409659360.db2.gz JPWGPUCGVXZTGO-SSDOTTSWSA-N 2 1 160.261 0.036 20 0 ACADMP c1[nH+]c2c(n1CC1C[NH2+]C1)CCCC2 307752820 409669232 /nfs/dbraw/zinc/66/92/32/409669232.db2.gz SYNWKLZNXXWXSK-UHFFFAOYSA-N 2 1 191.278 0.981 20 0 ACADMP COCC(C)(C)C[N@@H+]1CC[C@H]([NH3+])C1 308155658 409688031 /nfs/dbraw/zinc/68/80/31/409688031.db2.gz TVUYKLOIIGISAN-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@@H+]1CC[C@@H](N)C1 308155657 409687544 /nfs/dbraw/zinc/68/75/44/409687544.db2.gz TVUYKLOIIGISAN-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@H+]1CC[C@@H](N)C1 308155657 409687550 /nfs/dbraw/zinc/68/75/50/409687550.db2.gz TVUYKLOIIGISAN-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@@H+]1CC[C@@H]([NH3+])C1 308155657 409687558 /nfs/dbraw/zinc/68/75/58/409687558.db2.gz TVUYKLOIIGISAN-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@H+]1CC[C@@H]([NH3+])C1 308155657 409687567 /nfs/dbraw/zinc/68/75/67/409687567.db2.gz TVUYKLOIIGISAN-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@@H+]1CC[C@H](N)C1 308155658 409688018 /nfs/dbraw/zinc/68/80/18/409688018.db2.gz TVUYKLOIIGISAN-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@H+]1CC[C@H](N)C1 308155658 409688027 /nfs/dbraw/zinc/68/80/27/409688027.db2.gz TVUYKLOIIGISAN-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP COCC(C)(C)C[N@H+]1CC[C@H]([NH3+])C1 308155658 409688038 /nfs/dbraw/zinc/68/80/38/409688038.db2.gz TVUYKLOIIGISAN-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP CC[N@H+](CCCO)C[C@H](C)[NH3+] 308139024 409688652 /nfs/dbraw/zinc/68/86/52/409688652.db2.gz FZVQKSJNWWOATG-QMMMGPOBSA-N 2 1 160.261 0.038 20 0 ACADMP CC[N@@H+](CCCO)C[C@H](C)[NH3+] 308139024 409688655 /nfs/dbraw/zinc/68/86/55/409688655.db2.gz FZVQKSJNWWOATG-QMMMGPOBSA-N 2 1 160.261 0.038 20 0 ACADMP CC[N@H+](CCCO)C[C@@H](C)[NH3+] 308139023 409689369 /nfs/dbraw/zinc/68/93/69/409689369.db2.gz FZVQKSJNWWOATG-MRVPVSSYSA-N 2 1 160.261 0.038 20 0 ACADMP CC[N@@H+](CCCO)C[C@@H](C)[NH3+] 308139023 409689376 /nfs/dbraw/zinc/68/93/76/409689376.db2.gz FZVQKSJNWWOATG-MRVPVSSYSA-N 2 1 160.261 0.038 20 0 ACADMP CCC[N@H+](C)C[C@@H](O)C[NH+](C)CC 308186210 409691628 /nfs/dbraw/zinc/69/16/28/409691628.db2.gz FYBYSLLFWLCYMW-JTQLQIEISA-N 2 1 188.315 0.641 20 0 ACADMP CCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC 308186210 409691632 /nfs/dbraw/zinc/69/16/32/409691632.db2.gz FYBYSLLFWLCYMW-JTQLQIEISA-N 2 1 188.315 0.641 20 0 ACADMP CCC[NH+](C)C[C@@H](O)C[N@H+](C)CC 308186210 409691639 /nfs/dbraw/zinc/69/16/39/409691639.db2.gz FYBYSLLFWLCYMW-JTQLQIEISA-N 2 1 188.315 0.641 20 0 ACADMP CCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC 308186210 409691644 /nfs/dbraw/zinc/69/16/44/409691644.db2.gz FYBYSLLFWLCYMW-JTQLQIEISA-N 2 1 188.315 0.641 20 0 ACADMP CCC[N@H+](C)C[C@H](O)C[NH+](C)CC 308186211 409691865 /nfs/dbraw/zinc/69/18/65/409691865.db2.gz FYBYSLLFWLCYMW-SNVBAGLBSA-N 2 1 188.315 0.641 20 0 ACADMP CCC[N@@H+](C)C[C@H](O)C[NH+](C)CC 308186211 409691874 /nfs/dbraw/zinc/69/18/74/409691874.db2.gz FYBYSLLFWLCYMW-SNVBAGLBSA-N 2 1 188.315 0.641 20 0 ACADMP CCC[NH+](C)C[C@H](O)C[N@H+](C)CC 308186211 409691882 /nfs/dbraw/zinc/69/18/82/409691882.db2.gz FYBYSLLFWLCYMW-SNVBAGLBSA-N 2 1 188.315 0.641 20 0 ACADMP CCC[NH+](C)C[C@H](O)C[N@@H+](C)CC 308186211 409691885 /nfs/dbraw/zinc/69/18/85/409691885.db2.gz FYBYSLLFWLCYMW-SNVBAGLBSA-N 2 1 188.315 0.641 20 0 ACADMP COC[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] 308189988 409695950 /nfs/dbraw/zinc/69/59/50/409695950.db2.gz NASTWWAPWAXECL-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] 308189988 409695954 /nfs/dbraw/zinc/69/59/54/409695954.db2.gz NASTWWAPWAXECL-IUCAKERBSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 308189990 409695993 /nfs/dbraw/zinc/69/59/93/409695993.db2.gz NASTWWAPWAXECL-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 308189990 409695997 /nfs/dbraw/zinc/69/59/97/409695997.db2.gz NASTWWAPWAXECL-RKDXNWHRSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] 308189984 409696028 /nfs/dbraw/zinc/69/60/28/409696028.db2.gz NASTWWAPWAXECL-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 308189984 409696031 /nfs/dbraw/zinc/69/60/31/409696031.db2.gz NASTWWAPWAXECL-BDAKNGLRSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] 308189986 409697454 /nfs/dbraw/zinc/69/74/54/409697454.db2.gz NASTWWAPWAXECL-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP COC[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] 308189986 409697463 /nfs/dbraw/zinc/69/74/63/409697463.db2.gz NASTWWAPWAXECL-DTWKUNHWSA-N 2 1 172.272 0.444 20 0 ACADMP CC[N@@H+](C)C[C@H](O)Cn1ccnc1 308212852 409698623 /nfs/dbraw/zinc/69/86/23/409698623.db2.gz XIKHCUVORZZCCQ-VIFPVBQESA-N 2 1 183.255 0.196 20 0 ACADMP CC[N@@H+](C)C[C@@H](O)Cn1ccnc1 308212850 409701345 /nfs/dbraw/zinc/70/13/45/409701345.db2.gz XIKHCUVORZZCCQ-SECBINFHSA-N 2 1 183.255 0.196 20 0 ACADMP C[NH2+]CCC[N@@H+](C)C1(COC)CC1 662298623 409709680 /nfs/dbraw/zinc/70/96/80/409709680.db2.gz PYUCZLNWNZBHTC-UHFFFAOYSA-N 2 1 186.299 0.707 20 0 ACADMP COCC1([N@@H+](C)C[C@@H]2CC[NH2+]C2)CC1 662299358 409710586 /nfs/dbraw/zinc/71/05/86/409710586.db2.gz YVAGSMZBOXJDGI-SNVBAGLBSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2OCC[C@@H]21 662297702 409710671 /nfs/dbraw/zinc/71/06/71/409710671.db2.gz IQMLCIDEIYWPJI-QWRGUYRKSA-N 2 1 198.310 0.849 20 0 ACADMP C[N@@H+](CC(C)(C)[NH3+])CC(C)(C)O 662292820 409710810 /nfs/dbraw/zinc/71/08/10/409710810.db2.gz ABLWBIVUKMWNOE-UHFFFAOYSA-N 2 1 174.288 0.426 20 0 ACADMP C[N@H+](CC1CC=CC1)C[C@H](O)C[NH3+] 662276898 409711413 /nfs/dbraw/zinc/71/14/13/409711413.db2.gz MWBDZIXRDHTZJQ-SNVBAGLBSA-N 2 1 184.283 0.204 20 0 ACADMP CC(C)=CCC[N@H+](C)C[C@@H](O)C[NH3+] 662275969 409712079 /nfs/dbraw/zinc/71/20/79/409712079.db2.gz GGFNHUINGNFPMP-JTQLQIEISA-N 2 1 186.299 0.594 20 0 ACADMP COCC1([N@@H+](C)C[C@H]2CC[NH2+]C2)CC1 662299357 409712266 /nfs/dbraw/zinc/71/22/66/409712266.db2.gz YVAGSMZBOXJDGI-JTQLQIEISA-N 2 1 198.310 0.707 20 0 ACADMP CC(C)=CCC[N@H+](C)C[C@H](O)C[NH3+] 662275970 409712323 /nfs/dbraw/zinc/71/23/23/409712323.db2.gz GGFNHUINGNFPMP-SNVBAGLBSA-N 2 1 186.299 0.594 20 0 ACADMP C[N@H+](CC1CC=CC1)C[C@@H](O)C[NH3+] 662276897 409712382 /nfs/dbraw/zinc/71/23/82/409712382.db2.gz MWBDZIXRDHTZJQ-JTQLQIEISA-N 2 1 184.283 0.204 20 0 ACADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662295289 409712524 /nfs/dbraw/zinc/71/25/24/409712524.db2.gz PCDXDEWKJHYHRF-JTQLQIEISA-N 3 1 199.342 0.655 20 0 ACADMP CN(CC[C@@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662295289 409712528 /nfs/dbraw/zinc/71/25/28/409712528.db2.gz PCDXDEWKJHYHRF-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)N 662295289 409712532 /nfs/dbraw/zinc/71/25/32/409712532.db2.gz PCDXDEWKJHYHRF-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)N 662295289 409712533 /nfs/dbraw/zinc/71/25/33/409712533.db2.gz PCDXDEWKJHYHRF-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662295290 409712658 /nfs/dbraw/zinc/71/26/58/409712658.db2.gz PCDXDEWKJHYHRF-SNVBAGLBSA-N 3 1 199.342 0.655 20 0 ACADMP CN(CC[C@H]1CC[NH2+]C1)CC(C)(C)[NH3+] 662295290 409712662 /nfs/dbraw/zinc/71/26/62/409712662.db2.gz PCDXDEWKJHYHRF-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)N 662295290 409712666 /nfs/dbraw/zinc/71/26/66/409712666.db2.gz PCDXDEWKJHYHRF-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)N 662295290 409712670 /nfs/dbraw/zinc/71/26/70/409712670.db2.gz PCDXDEWKJHYHRF-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP [NH3+]CCOCC[N@H+]1CC[C@@H]2C[C@@H]2C1 662315962 409713978 /nfs/dbraw/zinc/71/39/78/409713978.db2.gz RQGXAXDYEAQAFI-NXEZZACHSA-N 2 1 184.283 0.304 20 0 ACADMP CC(C)(O)C[N@@H+]1CC2CC1(C[NH3+])C2 662305857 409714025 /nfs/dbraw/zinc/71/40/25/409714025.db2.gz MRDWQSGNEIBWBF-UHFFFAOYSA-N 2 1 184.283 0.180 20 0 ACADMP CC(C)(O)C[N@H+]1CC2CC1(C[NH3+])C2 662305857 409714033 /nfs/dbraw/zinc/71/40/33/409714033.db2.gz MRDWQSGNEIBWBF-UHFFFAOYSA-N 2 1 184.283 0.180 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 662315355 409714407 /nfs/dbraw/zinc/71/44/07/409714407.db2.gz MMXDONWKIRROIW-MXWKQRLJSA-N 2 1 198.310 0.299 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H]2C[C@@H]2C1 662315343 409715246 /nfs/dbraw/zinc/71/52/46/409715246.db2.gz LZCKUOFPFBLLDZ-NXEZZACHSA-N 2 1 168.284 0.938 20 0 ACADMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2C[C@H]2C1 662315354 409716574 /nfs/dbraw/zinc/71/65/74/409716574.db2.gz MMXDONWKIRROIW-DCAQKATOSA-N 2 1 198.310 0.299 20 0 ACADMP [NH3+]CCOCC[N@H+]1CC[C@H]2C[C@H]2C1 662315963 409716853 /nfs/dbraw/zinc/71/68/53/409716853.db2.gz RQGXAXDYEAQAFI-UWVGGRQHSA-N 2 1 184.283 0.304 20 0 ACADMP C[NH2+]CCC[N@H+](C)CC1=CCCOC1 662307241 409717347 /nfs/dbraw/zinc/71/73/47/409717347.db2.gz XQWIMHGYGLCLFR-UHFFFAOYSA-N 2 1 198.310 0.874 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC1=CCCOC1 662307241 409717351 /nfs/dbraw/zinc/71/73/51/409717351.db2.gz XQWIMHGYGLCLFR-UHFFFAOYSA-N 2 1 198.310 0.874 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCN)[C@@H]1CCC[NH3+] 662317295 409717501 /nfs/dbraw/zinc/71/75/01/409717501.db2.gz PPWUMQSGOHKWOU-GHMZBOCLSA-N 2 1 199.342 0.785 20 0 ACADMP C[C@@H]1CCCN(CC[NH3+])[C@@H]1CCC[NH3+] 662317295 409717508 /nfs/dbraw/zinc/71/75/08/409717508.db2.gz PPWUMQSGOHKWOU-GHMZBOCLSA-N 2 1 199.342 0.785 20 0 ACADMP C[N@@H+](CCC[NH3+])CC1=CCSC1 662326805 409717812 /nfs/dbraw/zinc/71/78/12/409717812.db2.gz CMJIIAFFWCQWAA-UHFFFAOYSA-N 2 1 186.324 0.940 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H]2C[C@H]2C1 662315344 409717949 /nfs/dbraw/zinc/71/79/49/409717949.db2.gz LZCKUOFPFBLLDZ-UWVGGRQHSA-N 2 1 168.284 0.938 20 0 ACADMP CC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1C 308481318 409726407 /nfs/dbraw/zinc/72/64/07/409726407.db2.gz LNJCXFFDTHHWDW-SNVBAGLBSA-N 2 1 197.282 0.504 20 0 ACADMP CC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1C 308481318 409726412 /nfs/dbraw/zinc/72/64/12/409726412.db2.gz LNJCXFFDTHHWDW-SNVBAGLBSA-N 2 1 197.282 0.504 20 0 ACADMP COCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 308495318 409727355 /nfs/dbraw/zinc/72/73/55/409727355.db2.gz BTXKOIJGMIPUIE-QWRGUYRKSA-N 2 1 198.310 0.694 20 0 ACADMP CC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1C 308481317 409727411 /nfs/dbraw/zinc/72/74/11/409727411.db2.gz LNJCXFFDTHHWDW-JTQLQIEISA-N 2 1 197.282 0.504 20 0 ACADMP CC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1C 308481317 409727418 /nfs/dbraw/zinc/72/74/18/409727418.db2.gz LNJCXFFDTHHWDW-JTQLQIEISA-N 2 1 197.282 0.504 20 0 ACADMP C[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 308556030 409732728 /nfs/dbraw/zinc/73/27/28/409732728.db2.gz ZXWDHPMSRMEZLH-SECBINFHSA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 308556033 409733707 /nfs/dbraw/zinc/73/37/07/409733707.db2.gz ZXWDHPMSRMEZLH-VIFPVBQESA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H](CN)[N@@H+](C)CC1CC[NH2+]CC1 308557333 409734275 /nfs/dbraw/zinc/73/42/75/409734275.db2.gz BVRYWNGXJUZKSH-SECBINFHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H](C[NH3+])N(C)CC1CC[NH2+]CC1 308557333 409734283 /nfs/dbraw/zinc/73/42/83/409734283.db2.gz BVRYWNGXJUZKSH-SECBINFHSA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CC1CC[NH2+]CC1 308557335 409734365 /nfs/dbraw/zinc/73/43/65/409734365.db2.gz BVRYWNGXJUZKSH-VIFPVBQESA-N 2 1 185.315 0.265 20 0 ACADMP C[C@@H](C[NH3+])N(C)CC1CC[NH2+]CC1 308557335 409734368 /nfs/dbraw/zinc/73/43/68/409734368.db2.gz BVRYWNGXJUZKSH-VIFPVBQESA-N 2 1 185.315 0.265 20 0 ACADMP CC(C)([NH3+])C[N@H+](CCCO)C1CC1 308589250 409736376 /nfs/dbraw/zinc/73/63/76/409736376.db2.gz UJLSOBNNPRSLHB-UHFFFAOYSA-N 2 1 186.299 0.571 20 0 ACADMP CC(C)([NH3+])C[N@@H+](CCCO)C1CC1 308589250 409736380 /nfs/dbraw/zinc/73/63/80/409736380.db2.gz UJLSOBNNPRSLHB-UHFFFAOYSA-N 2 1 186.299 0.571 20 0 ACADMP CCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 308599323 409740237 /nfs/dbraw/zinc/74/02/37/409740237.db2.gz AZJNCTWWCBSRPO-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 308599325 409740779 /nfs/dbraw/zinc/74/07/79/409740779.db2.gz AZJNCTWWCBSRPO-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP CCOCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 308599324 409740866 /nfs/dbraw/zinc/74/08/66/409740866.db2.gz AZJNCTWWCBSRPO-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP CCOCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 308599328 409741124 /nfs/dbraw/zinc/74/11/24/409741124.db2.gz AZJNCTWWCBSRPO-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC1)C1CC1 308645914 409742695 /nfs/dbraw/zinc/74/26/95/409742695.db2.gz HIDPKCJBTZEVKF-NSHDSACASA-N 2 1 198.310 0.441 20 0 ACADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC1)C1CC1 308645914 409742703 /nfs/dbraw/zinc/74/27/03/409742703.db2.gz HIDPKCJBTZEVKF-NSHDSACASA-N 2 1 198.310 0.441 20 0 ACADMP C[N@H+](C[C@H](O)C[NH2+]CC1CC1)C1CC1 308645913 409744222 /nfs/dbraw/zinc/74/42/22/409744222.db2.gz HIDPKCJBTZEVKF-LLVKDONJSA-N 2 1 198.310 0.441 20 0 ACADMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC1)C1CC1 308645913 409744230 /nfs/dbraw/zinc/74/42/30/409744230.db2.gz HIDPKCJBTZEVKF-LLVKDONJSA-N 2 1 198.310 0.441 20 0 ACADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC1)C1CC1 308652761 409746014 /nfs/dbraw/zinc/74/60/14/409746014.db2.gz LIEZIZHXAPVYKY-LLVKDONJSA-N 2 1 198.310 0.584 20 0 ACADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC1)C1CC1 308652761 409746018 /nfs/dbraw/zinc/74/60/18/409746018.db2.gz LIEZIZHXAPVYKY-LLVKDONJSA-N 2 1 198.310 0.584 20 0 ACADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC1)C1CC1 308652762 409747064 /nfs/dbraw/zinc/74/70/64/409747064.db2.gz LIEZIZHXAPVYKY-NSHDSACASA-N 2 1 198.310 0.584 20 0 ACADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC1)C1CC1 308652762 409747069 /nfs/dbraw/zinc/74/70/69/409747069.db2.gz LIEZIZHXAPVYKY-NSHDSACASA-N 2 1 198.310 0.584 20 0 ACADMP C[C@H]1CC[C@@H](C)[N@H+]1CCOCC[NH3+] 308675236 409749447 /nfs/dbraw/zinc/74/94/47/409749447.db2.gz VZKFELLKRVVBEO-AOOOYVTPSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]([NH3+])C[N@H+](CCCCO)C1CC1 308674809 409749574 /nfs/dbraw/zinc/74/95/74/409749574.db2.gz VXMDHYGGKVJKLG-VIFPVBQESA-N 2 1 186.299 0.571 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](CCCCO)C1CC1 308674809 409749580 /nfs/dbraw/zinc/74/95/80/409749580.db2.gz VXMDHYGGKVJKLG-VIFPVBQESA-N 2 1 186.299 0.571 20 0 ACADMP C[NH2+]CCC1CC[NH+](CCN)CC1 308687213 409750571 /nfs/dbraw/zinc/75/05/71/409750571.db2.gz ZYXVBHAQPFCLPG-UHFFFAOYSA-N 2 1 185.315 0.267 20 0 ACADMP CC(C)[N@@H+](CCOCC[NH3+])C1CC1 308665752 409750775 /nfs/dbraw/zinc/75/07/75/409750775.db2.gz SJMKUJPVKZIWIN-UHFFFAOYSA-N 2 1 186.299 0.835 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@H]1COC 308722673 409750784 /nfs/dbraw/zinc/75/07/84/409750784.db2.gz DZORKOMUGQEJIU-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](CCCCO)C1CC1 308674808 409750998 /nfs/dbraw/zinc/75/09/98/409750998.db2.gz VXMDHYGGKVJKLG-SECBINFHSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](CCCCO)C1CC1 308674808 409751003 /nfs/dbraw/zinc/75/10/03/409751003.db2.gz VXMDHYGGKVJKLG-SECBINFHSA-N 2 1 186.299 0.571 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1COC 308722674 409751742 /nfs/dbraw/zinc/75/17/42/409751742.db2.gz DZORKOMUGQEJIU-SNVBAGLBSA-N 2 1 186.299 0.707 20 0 ACADMP CC[N@@H+](CCCO)C[C@H]1CC[NH2+]C1 308735405 409754365 /nfs/dbraw/zinc/75/43/65/409754365.db2.gz LGKICBDHKMJVOQ-JTQLQIEISA-N 2 1 186.299 0.300 20 0 ACADMP CC[N@@H+](CCCO)C[C@@H]1CC[NH2+]C1 308735408 409754707 /nfs/dbraw/zinc/75/47/07/409754707.db2.gz LGKICBDHKMJVOQ-SNVBAGLBSA-N 2 1 186.299 0.300 20 0 ACADMP OCCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 308867149 409755538 /nfs/dbraw/zinc/75/55/38/409755538.db2.gz GJKLDCJGPIJRFO-JTQLQIEISA-N 2 1 198.310 0.443 20 0 ACADMP CC(C)(N)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 308866878 409755782 /nfs/dbraw/zinc/75/57/82/409755782.db2.gz XHOYNHUVVDMFJF-JTQLQIEISA-N 2 1 199.342 0.785 20 0 ACADMP CC(C)(N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 308866878 409755789 /nfs/dbraw/zinc/75/57/89/409755789.db2.gz XHOYNHUVVDMFJF-JTQLQIEISA-N 2 1 199.342 0.785 20 0 ACADMP COC[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 308870011 409756556 /nfs/dbraw/zinc/75/65/56/409756556.db2.gz ITZCZPICCKWISU-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP OCCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 308867150 409756720 /nfs/dbraw/zinc/75/67/20/409756720.db2.gz GJKLDCJGPIJRFO-SNVBAGLBSA-N 2 1 198.310 0.443 20 0 ACADMP COC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 308870010 409757429 /nfs/dbraw/zinc/75/74/29/409757429.db2.gz ITZCZPICCKWISU-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP CC(C)(N)C[N@@H+]1CCC[C@H](CC[NH3+])C1 308866882 409757956 /nfs/dbraw/zinc/75/79/56/409757956.db2.gz XHOYNHUVVDMFJF-SNVBAGLBSA-N 2 1 199.342 0.785 20 0 ACADMP CC(C)(N)C[N@H+]1CCC[C@H](CC[NH3+])C1 308866882 409757960 /nfs/dbraw/zinc/75/79/60/409757960.db2.gz XHOYNHUVVDMFJF-SNVBAGLBSA-N 2 1 199.342 0.785 20 0 ACADMP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 308943499 409759103 /nfs/dbraw/zinc/75/91/03/409759103.db2.gz MWSYJNRCVUMHQI-WDEREUQCSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 308943499 409759109 /nfs/dbraw/zinc/75/91/09/409759109.db2.gz MWSYJNRCVUMHQI-WDEREUQCSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1 308943497 409759561 /nfs/dbraw/zinc/75/95/61/409759561.db2.gz MWSYJNRCVUMHQI-QWRGUYRKSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 308943497 409759566 /nfs/dbraw/zinc/75/95/66/409759566.db2.gz MWSYJNRCVUMHQI-QWRGUYRKSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 308943492 409759703 /nfs/dbraw/zinc/75/97/03/409759703.db2.gz MWSYJNRCVUMHQI-GHMZBOCLSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 308943492 409759706 /nfs/dbraw/zinc/75/97/06/409759706.db2.gz MWSYJNRCVUMHQI-GHMZBOCLSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 308943495 409759738 /nfs/dbraw/zinc/75/97/38/409759738.db2.gz MWSYJNRCVUMHQI-MNOVXSKESA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 308943495 409759742 /nfs/dbraw/zinc/75/97/42/409759742.db2.gz MWSYJNRCVUMHQI-MNOVXSKESA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]CC1CCN(CC(C)(C)[NH3+])CC1 308927424 409759802 /nfs/dbraw/zinc/75/98/02/409759802.db2.gz DMSZIROJOSKPQA-UHFFFAOYSA-N 2 1 199.342 0.655 20 0 ACADMP C[NH2+]CCC1CC[NH+](C[C@@H](C)[NH3+])CC1 308986258 409762236 /nfs/dbraw/zinc/76/22/36/409762236.db2.gz JVTVBZRPOWWOKU-SNVBAGLBSA-N 3 1 199.342 0.655 20 0 ACADMP C[NH2+]CCC1CC[NH+](C[C@@H](C)N)CC1 308986258 409762242 /nfs/dbraw/zinc/76/22/42/409762242.db2.gz JVTVBZRPOWWOKU-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[N@@H+](CCC[NH3+])CCC1CC[NH2+]CC1 308981824 409762299 /nfs/dbraw/zinc/76/22/99/409762299.db2.gz IKLSSPRVXNZWOJ-UHFFFAOYSA-N 3 1 199.342 0.657 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C[C@@H]1CCOC1)C1CC1 308995078 409762373 /nfs/dbraw/zinc/76/23/73/409762373.db2.gz MGMFDIPYBWMKEA-UWVGGRQHSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C[C@H]1CCOC1)C1CC1 308995080 409763582 /nfs/dbraw/zinc/76/35/82/409763582.db2.gz MGMFDIPYBWMKEA-VHSXEESVSA-N 2 1 198.310 0.835 20 0 ACADMP C[NH2+]CCC1CC[NH+](C[C@H](C)[NH3+])CC1 308986257 409763731 /nfs/dbraw/zinc/76/37/31/409763731.db2.gz JVTVBZRPOWWOKU-JTQLQIEISA-N 3 1 199.342 0.655 20 0 ACADMP C[NH2+]CCC1CC[NH+](C[C@H](C)N)CC1 308986257 409763736 /nfs/dbraw/zinc/76/37/36/409763736.db2.gz JVTVBZRPOWWOKU-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C[C@@H]1CCOC1)C1CC1 308995082 409764142 /nfs/dbraw/zinc/76/41/42/409764142.db2.gz MGMFDIPYBWMKEA-ZJUUUORDSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C[C@H]1CCOC1)C1CC1 308995076 409764623 /nfs/dbraw/zinc/76/46/23/409764623.db2.gz MGMFDIPYBWMKEA-NXEZZACHSA-N 2 1 198.310 0.835 20 0 ACADMP NC1(C[NH2+]CC2CC[NH2+]CC2)CCC1 309081808 409768160 /nfs/dbraw/zinc/76/81/60/409768160.db2.gz QTDPVXUXUNIAAG-UHFFFAOYSA-N 2 1 197.326 0.457 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@H](CC[NH3+])C1 309136253 409769671 /nfs/dbraw/zinc/76/96/71/409769671.db2.gz SBVKRHCFOBFWOC-LLVKDONJSA-N 3 1 199.342 0.657 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 309136254 409771868 /nfs/dbraw/zinc/77/18/68/409771868.db2.gz SBVKRHCFOBFWOC-NSHDSACASA-N 3 1 199.342 0.657 20 0 ACADMP CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)[NH3+])C1 309654380 409773859 /nfs/dbraw/zinc/77/38/59/409773859.db2.gz YQKHRZCWUKITLB-GHMZBOCLSA-N 2 1 199.342 0.607 20 0 ACADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)[NH3+])C1 309654386 409774603 /nfs/dbraw/zinc/77/46/03/409774603.db2.gz YQKHRZCWUKITLB-WDEREUQCSA-N 2 1 199.342 0.607 20 0 ACADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)[NH3+])C1 309654384 409775214 /nfs/dbraw/zinc/77/52/14/409775214.db2.gz YQKHRZCWUKITLB-QWRGUYRKSA-N 2 1 199.342 0.607 20 0 ACADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)[NH3+])C1 309654382 409775727 /nfs/dbraw/zinc/77/57/27/409775727.db2.gz YQKHRZCWUKITLB-MNOVXSKESA-N 2 1 199.342 0.607 20 0 ACADMP Cn1c[nH+]cc1CCC[N@H+](C)CCO 314087007 409782786 /nfs/dbraw/zinc/78/27/86/409782786.db2.gz ZBURMICEULDBKP-UHFFFAOYSA-N 2 1 197.282 0.277 20 0 ACADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCO 314087007 409782790 /nfs/dbraw/zinc/78/27/90/409782790.db2.gz ZBURMICEULDBKP-UHFFFAOYSA-N 2 1 197.282 0.277 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]12C[NH2+]C[C@@H]1C2 663499874 409785461 /nfs/dbraw/zinc/78/54/61/409785461.db2.gz WNFYJHKPPGSQTK-XWLWVQCSSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]12C[NH2+]C[C@H]1C2 663499871 409786591 /nfs/dbraw/zinc/78/65/91/409786591.db2.gz WNFYJHKPPGSQTK-MMWGEVLESA-N 3 1 197.326 0.311 20 0 ACADMP CNC[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 663513460 409787864 /nfs/dbraw/zinc/78/78/64/409787864.db2.gz KFTCQAPXRRXCST-DCAQKATOSA-N 2 1 199.342 0.572 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC([NH3+])CC1 663512757 409787881 /nfs/dbraw/zinc/78/78/81/409787881.db2.gz HPJJHUZZQZKZCC-XNWIYYODSA-N 3 1 185.315 0.454 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C1CCC([NH3+])CC1 663512755 409788063 /nfs/dbraw/zinc/78/80/63/409788063.db2.gz HPJJHUZZQZKZCC-IDKOKCKLSA-N 3 1 185.315 0.454 20 0 ACADMP CNC[C@@H](C)[NH2+]CC1CC[NH2+]CC1 663509702 409788089 /nfs/dbraw/zinc/78/80/89/409788089.db2.gz LSUXIQVLOPRVMS-SECBINFHSA-N 2 1 185.315 0.184 20 0 ACADMP CNC[C@H](C)[NH2+]CC1CC[NH2+]CC1 663509708 409788171 /nfs/dbraw/zinc/78/81/71/409788171.db2.gz LSUXIQVLOPRVMS-VIFPVBQESA-N 2 1 185.315 0.184 20 0 ACADMP CNC[C@H](C)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 663513464 409788359 /nfs/dbraw/zinc/78/83/59/409788359.db2.gz KFTCQAPXRRXCST-VWYCJHECSA-N 2 1 199.342 0.572 20 0 ACADMP CNC[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 663513462 409788545 /nfs/dbraw/zinc/78/85/45/409788545.db2.gz KFTCQAPXRRXCST-OUAUKWLOSA-N 2 1 199.342 0.572 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]C1CC(C)C1 663513415 409789073 /nfs/dbraw/zinc/78/90/73/409789073.db2.gz JSZVPOSDNRSTIJ-QJAFJHJLSA-N 2 1 156.273 0.982 20 0 ACADMP CNC[C@H](C)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 663513461 409790699 /nfs/dbraw/zinc/79/06/99/409790699.db2.gz KFTCQAPXRRXCST-GARJFASQSA-N 2 1 199.342 0.572 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C1CC(C)C1 663513413 409790853 /nfs/dbraw/zinc/79/08/53/409790853.db2.gz JSZVPOSDNRSTIJ-MGURRDGZSA-N 2 1 156.273 0.982 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C[NH3+])CC1 663514398 409792835 /nfs/dbraw/zinc/79/28/35/409792835.db2.gz QWWNKTYTTPMMNG-KPPDAEKUSA-N 3 1 199.342 0.701 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C[NH3+])CC1 663514399 409793890 /nfs/dbraw/zinc/79/38/90/409793890.db2.gz QWWNKTYTTPMMNG-WHXUTIOJSA-N 3 1 199.342 0.701 20 0 ACADMP C[C@H]([NH3+])C[N@H+](CCCO)C1CC1 379360903 409831736 /nfs/dbraw/zinc/83/17/36/409831736.db2.gz BVXMGHNOGLBZCQ-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](CCCO)C1CC1 379360903 409831743 /nfs/dbraw/zinc/83/17/43/409831743.db2.gz BVXMGHNOGLBZCQ-QMMMGPOBSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](CCCO)C1CC1 379360902 409832934 /nfs/dbraw/zinc/83/29/34/409832934.db2.gz BVXMGHNOGLBZCQ-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](CCCO)C1CC1 379360902 409832945 /nfs/dbraw/zinc/83/29/45/409832945.db2.gz BVXMGHNOGLBZCQ-MRVPVSSYSA-N 2 1 172.272 0.180 20 0 ACADMP CCOCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 379492851 409845546 /nfs/dbraw/zinc/84/55/46/409845546.db2.gz SZPLYGNVGNXNSM-NSHDSACASA-N 2 1 198.310 0.708 20 0 ACADMP CCOCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 379492850 409845566 /nfs/dbraw/zinc/84/55/66/409845566.db2.gz SZPLYGNVGNXNSM-LLVKDONJSA-N 2 1 198.310 0.708 20 0 ACADMP CC1(C)[C@H]2C[N@@H+](CCOCC[NH3+])C[C@H]21 379561390 409848391 /nfs/dbraw/zinc/84/83/91/409848391.db2.gz URHIWYMTYZUUOX-AOOOYVTPSA-N 2 1 198.310 0.550 20 0 ACADMP C[C@@H](N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 379569109 409848568 /nfs/dbraw/zinc/84/85/68/409848568.db2.gz AJJCQZZPJWERPA-ZJUUUORDSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@@H]([NH3+])CN1CCC[C@@H](CC[NH3+])C1 379569109 409848576 /nfs/dbraw/zinc/84/85/76/409848576.db2.gz AJJCQZZPJWERPA-ZJUUUORDSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@@H](N)C[N@H+]1CCC[C@H](CC[NH3+])C1 379569085 409848615 /nfs/dbraw/zinc/84/86/15/409848615.db2.gz AJJCQZZPJWERPA-NXEZZACHSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@@H]([NH3+])CN1CCC[C@H](CC[NH3+])C1 379569085 409848622 /nfs/dbraw/zinc/84/86/22/409848622.db2.gz AJJCQZZPJWERPA-NXEZZACHSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@H](N)C[N@H+]1CCC[C@H](CC[NH3+])C1 379569106 409848752 /nfs/dbraw/zinc/84/87/52/409848752.db2.gz AJJCQZZPJWERPA-VHSXEESVSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@H]([NH3+])CN1CCC[C@H](CC[NH3+])C1 379569106 409848758 /nfs/dbraw/zinc/84/87/58/409848758.db2.gz AJJCQZZPJWERPA-VHSXEESVSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@H](N)C[N@H+]1CCC[C@@H](CC[NH3+])C1 379569096 409848918 /nfs/dbraw/zinc/84/89/18/409848918.db2.gz AJJCQZZPJWERPA-UWVGGRQHSA-N 2 1 185.315 0.394 20 0 ACADMP C[C@H]([NH3+])CN1CCC[C@@H](CC[NH3+])C1 379569096 409848926 /nfs/dbraw/zinc/84/89/26/409848926.db2.gz AJJCQZZPJWERPA-UWVGGRQHSA-N 2 1 185.315 0.394 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CCc1cn[nH]c1 379509465 409849916 /nfs/dbraw/zinc/84/99/16/409849916.db2.gz VNEWKNVRCICCDO-UHFFFAOYSA-N 2 1 196.298 0.494 20 0 ACADMP C[NH2+]CC1CC[NH+](C[C@@H](C)[NH3+])CC1 379571468 409851721 /nfs/dbraw/zinc/85/17/21/409851721.db2.gz FCDNCELGORNWTJ-SECBINFHSA-N 2 1 185.315 0.265 20 0 ACADMP C[NH2+]CC1CC[NH+](C[C@H](C)[NH3+])CC1 379571470 409853017 /nfs/dbraw/zinc/85/30/17/409853017.db2.gz FCDNCELGORNWTJ-VIFPVBQESA-N 2 1 185.315 0.265 20 0 ACADMP C[C@H]1COCC[C@H]1[NH2+][C@H]1CC[NH2+]C1 665242345 409855420 /nfs/dbraw/zinc/85/54/20/409855420.db2.gz SVSFCCCVJXATPE-LPEHRKFASA-N 2 1 184.283 0.363 20 0 ACADMP CO[C@H]1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 665242075 409856111 /nfs/dbraw/zinc/85/61/11/409856111.db2.gz JOVQUSNDWUBJIB-DCAQKATOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 665242986 409857136 /nfs/dbraw/zinc/85/71/36/409857136.db2.gz QZQKKROEMRKOHA-GUBZILKMSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@@H](CCCC[NH3+])N[C@H]1CC[NH2+]C1 665241629 409857655 /nfs/dbraw/zinc/85/76/55/409857655.db2.gz UHFMRQXIKWGZFU-UWVGGRQHSA-N 2 1 185.315 0.455 20 0 ACADMP C[C@H]1COCC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 665242344 409857729 /nfs/dbraw/zinc/85/77/29/409857729.db2.gz SVSFCCCVJXATPE-GUBZILKMSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CCO1 665242985 409858143 /nfs/dbraw/zinc/85/81/43/409858143.db2.gz QZQKKROEMRKOHA-AEJSXWLSSA-N 2 1 184.283 0.505 20 0 ACADMP C[C@H](CCCC[NH3+])N[C@H]1CC[NH2+]C1 665241630 409858263 /nfs/dbraw/zinc/85/82/63/409858263.db2.gz UHFMRQXIKWGZFU-ZJUUUORDSA-N 2 1 185.315 0.455 20 0 ACADMP CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 665242076 409858361 /nfs/dbraw/zinc/85/83/61/409858361.db2.gz JOVQUSNDWUBJIB-VWYCJHECSA-N 2 1 198.310 0.896 20 0 ACADMP CC[N@@H+](CCOCC[NH3+])C1CCC1 379635328 409859217 /nfs/dbraw/zinc/85/92/17/409859217.db2.gz QQSBLKHPITWFFA-UHFFFAOYSA-N 2 1 186.299 0.836 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 379629087 409859581 /nfs/dbraw/zinc/85/95/81/409859581.db2.gz LWAXQCOWDUUDQG-NXEZZACHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 379629087 409859583 /nfs/dbraw/zinc/85/95/83/409859583.db2.gz LWAXQCOWDUUDQG-NXEZZACHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 379629093 409860036 /nfs/dbraw/zinc/86/00/36/409860036.db2.gz LWAXQCOWDUUDQG-ZJUUUORDSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 379629093 409860042 /nfs/dbraw/zinc/86/00/42/409860042.db2.gz LWAXQCOWDUUDQG-ZJUUUORDSA-N 3 1 185.315 0.265 20 0 ACADMP CC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 665261602 409860296 /nfs/dbraw/zinc/86/02/96/409860296.db2.gz HJQWNULWIWDZMF-OPRDCNLKSA-N 2 1 186.299 0.487 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 379629088 409860615 /nfs/dbraw/zinc/86/06/15/409860615.db2.gz LWAXQCOWDUUDQG-UWVGGRQHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 379629090 409860862 /nfs/dbraw/zinc/86/08/62/409860862.db2.gz LWAXQCOWDUUDQG-VHSXEESVSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 379629090 409860868 /nfs/dbraw/zinc/86/08/68/409860868.db2.gz LWAXQCOWDUUDQG-VHSXEESVSA-N 3 1 185.315 0.265 20 0 ACADMP CC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 665261601 409861172 /nfs/dbraw/zinc/86/11/72/409861172.db2.gz HJQWNULWIWDZMF-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCOC1 665243792 409861266 /nfs/dbraw/zinc/86/12/66/409861266.db2.gz XTBUBSYIAHDFAJ-UTLUCORTSA-N 2 1 184.283 0.363 20 0 ACADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CC[N@H+]1C 665243714 409861333 /nfs/dbraw/zinc/86/13/33/409861333.db2.gz SQHKFRVWXQRKJA-DCAQKATOSA-N 2 1 197.326 0.421 20 0 ACADMP CC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 665261600 409862039 /nfs/dbraw/zinc/86/20/39/409862039.db2.gz HJQWNULWIWDZMF-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)CC[N@H+]1C 665243713 409862127 /nfs/dbraw/zinc/86/21/27/409862127.db2.gz SQHKFRVWXQRKJA-AXFHLTTASA-N 2 1 197.326 0.421 20 0 ACADMP CC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 665261599 409863095 /nfs/dbraw/zinc/86/30/95/409863095.db2.gz HJQWNULWIWDZMF-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP C[N@@H+](CCC[NH3+])CCOCC(F)F 379661473 409863215 /nfs/dbraw/zinc/86/32/15/409863215.db2.gz QGONOHTWPULCGG-UHFFFAOYSA-N 2 1 196.241 0.549 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C1CC1 665293648 409868081 /nfs/dbraw/zinc/86/80/81/409868081.db2.gz AARCUEIDISOKKK-SFYZADRCSA-N 2 1 156.273 0.982 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C1CC1 665293649 409868576 /nfs/dbraw/zinc/86/85/76/409868576.db2.gz AARCUEIDISOKKK-YUMQZZPRSA-N 2 1 156.273 0.982 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@]2(CCOC2)C1 380027848 409868890 /nfs/dbraw/zinc/86/88/90/409868890.db2.gz ZFSNRFYCWDLAII-NSHDSACASA-N 2 1 198.310 0.708 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C1CC1 665293646 409869079 /nfs/dbraw/zinc/86/90/79/409869079.db2.gz AARCUEIDISOKKK-HTQZYQBOSA-N 2 1 156.273 0.982 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@]2(CCOC2)C1 380027842 409870198 /nfs/dbraw/zinc/87/01/98/409870198.db2.gz ZFSNRFYCWDLAII-LLVKDONJSA-N 2 1 198.310 0.708 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C1CC1 665293647 409870643 /nfs/dbraw/zinc/87/06/43/409870643.db2.gz AARCUEIDISOKKK-JGVFFNPUSA-N 2 1 156.273 0.982 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCC[NH3+] 665297792 409871363 /nfs/dbraw/zinc/87/13/63/409871363.db2.gz LRDYZPPFUFPYFJ-UWVGGRQHSA-N 3 1 187.331 0.701 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](COC)C1CC1 665295326 409871392 /nfs/dbraw/zinc/87/13/92/409871392.db2.gz BZSNRSUDBHKLPD-WCBMZHEXSA-N 2 1 186.299 0.609 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 665297545 409871640 /nfs/dbraw/zinc/87/16/40/409871640.db2.gz HWCBFRQHWGNHGZ-LPEHRKFASA-N 2 1 186.299 0.751 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCC[NH3+] 665297794 409871692 /nfs/dbraw/zinc/87/16/92/409871692.db2.gz LRDYZPPFUFPYFJ-ZJUUUORDSA-N 3 1 187.331 0.701 20 0 ACADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 665295633 409871987 /nfs/dbraw/zinc/87/19/87/409871987.db2.gz GUSTZVCWXVZICD-AXFHLTTASA-N 2 1 199.342 0.667 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCOC 665296388 409872474 /nfs/dbraw/zinc/87/24/74/409872474.db2.gz SBXXDOKTPJTMLT-UWVGGRQHSA-N 2 1 188.315 0.999 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](COC)C1CC1 665295325 409872235 /nfs/dbraw/zinc/87/22/35/409872235.db2.gz BZSNRSUDBHKLPD-SCZZXKLOSA-N 2 1 186.299 0.609 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 665297542 409872286 /nfs/dbraw/zinc/87/22/86/409872286.db2.gz HWCBFRQHWGNHGZ-AEJSXWLSSA-N 2 1 186.299 0.751 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCCCO 665295580 409872323 /nfs/dbraw/zinc/87/23/23/409872323.db2.gz GEYAQCZEYCSLHQ-UWVGGRQHSA-N 2 1 188.315 0.735 20 0 ACADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 665295635 409872490 /nfs/dbraw/zinc/87/24/90/409872490.db2.gz GUSTZVCWXVZICD-GARJFASQSA-N 2 1 199.342 0.667 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCCO 665295581 409872610 /nfs/dbraw/zinc/87/26/10/409872610.db2.gz GEYAQCZEYCSLHQ-VHSXEESVSA-N 2 1 188.315 0.735 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](COC)C(C)C 665296130 409873077 /nfs/dbraw/zinc/87/30/77/409873077.db2.gz NDEPLBBCYCLMDM-VHSXEESVSA-N 2 1 188.315 0.855 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](COC)C(C)C 665296131 409873166 /nfs/dbraw/zinc/87/31/66/409873166.db2.gz NDEPLBBCYCLMDM-ZJUUUORDSA-N 2 1 188.315 0.855 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 665297543 409873204 /nfs/dbraw/zinc/87/32/04/409873204.db2.gz HWCBFRQHWGNHGZ-GUBZILKMSA-N 2 1 186.299 0.751 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](COC)C(C)C 665296129 409873389 /nfs/dbraw/zinc/87/33/89/409873389.db2.gz NDEPLBBCYCLMDM-UWVGGRQHSA-N 2 1 188.315 0.855 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H](COC)C(C)C 665296128 409873429 /nfs/dbraw/zinc/87/34/29/409873429.db2.gz NDEPLBBCYCLMDM-NXEZZACHSA-N 2 1 188.315 0.855 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCOC 665296389 409873440 /nfs/dbraw/zinc/87/34/40/409873440.db2.gz SBXXDOKTPJTMLT-VHSXEESVSA-N 2 1 188.315 0.999 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 665297544 409873500 /nfs/dbraw/zinc/87/35/00/409873500.db2.gz HWCBFRQHWGNHGZ-IVZWLZJFSA-N 2 1 186.299 0.751 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCOC 665296387 409873570 /nfs/dbraw/zinc/87/35/70/409873570.db2.gz SBXXDOKTPJTMLT-NXEZZACHSA-N 2 1 188.315 0.999 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+] 665297793 409873623 /nfs/dbraw/zinc/87/36/23/409873623.db2.gz LRDYZPPFUFPYFJ-VHSXEESVSA-N 3 1 187.331 0.701 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H](COC)C1CC1 665295324 409873650 /nfs/dbraw/zinc/87/36/50/409873650.db2.gz BZSNRSUDBHKLPD-PSASIEDQSA-N 2 1 186.299 0.609 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCCO 665295579 409873708 /nfs/dbraw/zinc/87/37/08/409873708.db2.gz GEYAQCZEYCSLHQ-NXEZZACHSA-N 2 1 188.315 0.735 20 0 ACADMP C[NH2+]C[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 665295634 409873807 /nfs/dbraw/zinc/87/38/07/409873807.db2.gz GUSTZVCWXVZICD-DCAQKATOSA-N 2 1 199.342 0.667 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCOC 665296390 409873876 /nfs/dbraw/zinc/87/38/76/409873876.db2.gz SBXXDOKTPJTMLT-ZJUUUORDSA-N 2 1 188.315 0.999 20 0 ACADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 665295636 409873992 /nfs/dbraw/zinc/87/39/92/409873992.db2.gz GUSTZVCWXVZICD-HBNTYKKESA-N 2 1 199.342 0.667 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(O)CC1 665297229 409874188 /nfs/dbraw/zinc/87/41/88/409874188.db2.gz BMQPXARQNFXAPV-IDKOKCKLSA-N 2 1 186.299 0.487 20 0 ACADMP CC[NH2+]CC1CC[NH+](C[C@@H](C)[NH3+])CC1 380224203 409874199 /nfs/dbraw/zinc/87/41/99/409874199.db2.gz JXPSTURINSTYSZ-SNVBAGLBSA-N 3 1 199.342 0.655 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCCCO 665295582 409874219 /nfs/dbraw/zinc/87/42/19/409874219.db2.gz GEYAQCZEYCSLHQ-ZJUUUORDSA-N 2 1 188.315 0.735 20 0 ACADMP C[NH2+]C[C@H](C)[NH2+][C@@H](COC)C1CC1 665295327 409874249 /nfs/dbraw/zinc/87/42/49/409874249.db2.gz BZSNRSUDBHKLPD-WPRPVWTQSA-N 2 1 186.299 0.609 20 0 ACADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCCC[NH3+] 665297791 409874432 /nfs/dbraw/zinc/87/44/32/409874432.db2.gz LRDYZPPFUFPYFJ-NXEZZACHSA-N 3 1 187.331 0.701 20 0 ACADMP CC[NH2+]CC1CC[NH+](C[C@H](C)[NH3+])CC1 380224202 409874571 /nfs/dbraw/zinc/87/45/71/409874571.db2.gz JXPSTURINSTYSZ-JTQLQIEISA-N 3 1 199.342 0.655 20 0 ACADMP C[C@@H](CN)[N@@H+](C)CCC1CC[NH2+]CC1 380228752 409874970 /nfs/dbraw/zinc/87/49/70/409874970.db2.gz KVOYUZBPFMKYCJ-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP C[C@@H](C[NH3+])N(C)CCC1CC[NH2+]CC1 380228752 409874980 /nfs/dbraw/zinc/87/49/80/409874980.db2.gz KVOYUZBPFMKYCJ-JTQLQIEISA-N 2 1 199.342 0.655 20 0 ACADMP Cc1n[nH]c(C)c1C[N@H+](C)CCC[NH3+] 380236361 409875173 /nfs/dbraw/zinc/87/51/73/409875173.db2.gz MMTHEPATWRCFOW-UHFFFAOYSA-N 2 1 196.298 0.807 20 0 ACADMP Cc1n[nH]c(C)c1C[N@@H+](C)CCC[NH3+] 380236361 409875184 /nfs/dbraw/zinc/87/51/84/409875184.db2.gz MMTHEPATWRCFOW-UHFFFAOYSA-N 2 1 196.298 0.807 20 0 ACADMP C[C@H](CN)[N@@H+](C)CCC1CC[NH2+]CC1 380228755 409875936 /nfs/dbraw/zinc/87/59/36/409875936.db2.gz KVOYUZBPFMKYCJ-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H](C[NH3+])N(C)CCC1CC[NH2+]CC1 380228755 409875943 /nfs/dbraw/zinc/87/59/43/409875943.db2.gz KVOYUZBPFMKYCJ-SNVBAGLBSA-N 2 1 199.342 0.655 20 0 ACADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@H]1C 380797907 409877714 /nfs/dbraw/zinc/87/77/14/409877714.db2.gz NSTMLPUNPFYJBF-UWVGGRQHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]1C 380797903 409878481 /nfs/dbraw/zinc/87/84/81/409878481.db2.gz NSTMLPUNPFYJBF-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H]1CC[N@@H+](CCOCC[NH3+])[C@@H]1C 380797908 409879464 /nfs/dbraw/zinc/87/94/64/409879464.db2.gz NSTMLPUNPFYJBF-VHSXEESVSA-N 2 1 186.299 0.692 20 0 ACADMP [NH3+]CCOCC[N@H+]1CCC2(CCC2)C1 380584796 409879529 /nfs/dbraw/zinc/87/95/29/409879529.db2.gz ZJLIATHUNFFOKQ-UHFFFAOYSA-N 2 1 198.310 0.838 20 0 ACADMP C[C@H]1[C@H](C)CC[N@H+]1CCOCC[NH3+] 380797912 409880064 /nfs/dbraw/zinc/88/00/64/409880064.db2.gz NSTMLPUNPFYJBF-ZJUUUORDSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@H](O)CC[N@H+](C)CC(C)(C)[NH3+] 381832195 409884033 /nfs/dbraw/zinc/88/40/33/409884033.db2.gz DOEVZJMCWNHJBY-QMMMGPOBSA-N 2 1 174.288 0.426 20 0 ACADMP C[C@H](O)CC[N@@H+](C)CC(C)(C)[NH3+] 381832195 409884044 /nfs/dbraw/zinc/88/40/44/409884044.db2.gz DOEVZJMCWNHJBY-QMMMGPOBSA-N 2 1 174.288 0.426 20 0 ACADMP C[C@@H](O)CC[N@H+](C)CC(C)(C)[NH3+] 381832194 409884509 /nfs/dbraw/zinc/88/45/09/409884509.db2.gz DOEVZJMCWNHJBY-MRVPVSSYSA-N 2 1 174.288 0.426 20 0 ACADMP C[C@@H](O)CC[N@@H+](C)CC(C)(C)[NH3+] 381832194 409884511 /nfs/dbraw/zinc/88/45/11/409884511.db2.gz DOEVZJMCWNHJBY-MRVPVSSYSA-N 2 1 174.288 0.426 20 0 ACADMP Cc1cn[nH]c1CN(C)CCC[NH3+] 382050345 409887197 /nfs/dbraw/zinc/88/71/97/409887197.db2.gz AUGHWOLFVKVATI-UHFFFAOYSA-N 2 1 182.271 0.499 20 0 ACADMP Cc1n[nH]cc1C[N@@H+](C)CCC[NH3+] 382053405 409888117 /nfs/dbraw/zinc/88/81/17/409888117.db2.gz DRSKXFYUNYZZFV-UHFFFAOYSA-N 2 1 182.271 0.499 20 0 ACADMP CCOCCC[N@@H+](C)C1CC([NH3+])C1 382835475 409906855 /nfs/dbraw/zinc/90/68/55/409906855.db2.gz CVHVZSHZYCXFHB-UHFFFAOYSA-N 2 1 186.299 0.835 20 0 ACADMP Cc1n[nH]cc1C[N@H+](C)CCC[NH3+] 382053405 409888110 /nfs/dbraw/zinc/88/81/10/409888110.db2.gz DRSKXFYUNYZZFV-UHFFFAOYSA-N 2 1 182.271 0.499 20 0 ACADMP C[N@@H+](CCOCC[NH3+])C(C)(C)C 382189592 409898768 /nfs/dbraw/zinc/89/87/68/409898768.db2.gz YTYFQUHEHREODY-UHFFFAOYSA-N 2 1 174.288 0.692 20 0 ACADMP C[C@@H](O)CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 382755405 409906171 /nfs/dbraw/zinc/90/61/71/409906171.db2.gz MPZDAPGYMFPEHU-NXEZZACHSA-N 2 1 186.299 0.299 20 0 ACADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 382750239 409905878 /nfs/dbraw/zinc/90/58/78/409905878.db2.gz FGGIIECKGYLQDC-QWRGUYRKSA-N 2 1 198.310 0.564 20 0 ACADMP C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CC[NH2+]C1 382750238 409906399 /nfs/dbraw/zinc/90/63/99/409906399.db2.gz FGGIIECKGYLQDC-MNOVXSKESA-N 2 1 198.310 0.564 20 0 ACADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 382750237 409906778 /nfs/dbraw/zinc/90/67/78/409906778.db2.gz FGGIIECKGYLQDC-GHMZBOCLSA-N 2 1 198.310 0.564 20 0 ACADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CCOC1 382750240 409906793 /nfs/dbraw/zinc/90/67/93/409906793.db2.gz FGGIIECKGYLQDC-WDEREUQCSA-N 2 1 198.310 0.564 20 0 ACADMP C[C@H](O)CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 382755408 409907164 /nfs/dbraw/zinc/90/71/64/409907164.db2.gz MPZDAPGYMFPEHU-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@@H](O)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 382755409 409907220 /nfs/dbraw/zinc/90/72/20/409907220.db2.gz MPZDAPGYMFPEHU-ZJUUUORDSA-N 2 1 186.299 0.299 20 0 ACADMP C[C@H](O)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 382755406 409907743 /nfs/dbraw/zinc/90/77/43/409907743.db2.gz MPZDAPGYMFPEHU-UWVGGRQHSA-N 2 1 186.299 0.299 20 0 ACADMP C[N@@H+](CC[C@@H]1CCCO1)C1CC([NH3+])C1 384816289 409913465 /nfs/dbraw/zinc/91/34/65/409913465.db2.gz DFERPWBKZZYOIT-ILDUYXDCSA-N 2 1 198.310 0.977 20 0 ACADMP C[N@@H+](CC[C@H]1CCCO1)C1CC([NH3+])C1 384816291 409913537 /nfs/dbraw/zinc/91/35/37/409913537.db2.gz DFERPWBKZZYOIT-VQXHTEKXSA-N 2 1 198.310 0.977 20 0 ACADMP COCCCC[N@@H+](C)C1CC([NH3+])C1 384883729 409916445 /nfs/dbraw/zinc/91/64/45/409916445.db2.gz RNGWJSRTVGQGGX-UHFFFAOYSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+](CCn1cccn1)C1CC([NH3+])C1 384894398 409919238 /nfs/dbraw/zinc/91/92/38/409919238.db2.gz UUTPWVAIKBBLJD-UHFFFAOYSA-N 2 1 194.282 0.305 20 0 ACADMP C[C@H]([NH2+]C[C@@H](C)O)[C@H]1CCCC[NH2+]1 386399888 409933646 /nfs/dbraw/zinc/93/36/46/409933646.db2.gz GXCWMEBKQVKBAB-KXUCPTDWSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 386399886 409934344 /nfs/dbraw/zinc/93/43/44/409934344.db2.gz GXCWMEBKQVKBAB-GUBZILKMSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386399885 409934632 /nfs/dbraw/zinc/93/46/32/409934632.db2.gz GXCWMEBKQVKBAB-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP CC[C@@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1)OC 386096915 409934561 /nfs/dbraw/zinc/93/45/61/409934561.db2.gz JACMKYDYLCORPB-AXFHLTTASA-N 2 1 198.310 0.563 20 0 ACADMP CC[C@H](C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1)OC 386096949 409934782 /nfs/dbraw/zinc/93/47/82/409934782.db2.gz JACMKYDYLCORPB-OUAUKWLOSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386399887 409935095 /nfs/dbraw/zinc/93/50/95/409935095.db2.gz GXCWMEBKQVKBAB-IVZWLZJFSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 386399889 409935288 /nfs/dbraw/zinc/93/52/88/409935288.db2.gz GXCWMEBKQVKBAB-LPEHRKFASA-N 2 1 186.299 0.487 20 0 ACADMP C[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386399890 409935582 /nfs/dbraw/zinc/93/55/82/409935582.db2.gz GXCWMEBKQVKBAB-OPRDCNLKSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386399884 409935698 /nfs/dbraw/zinc/93/56/98/409935698.db2.gz GXCWMEBKQVKBAB-AEJSXWLSSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]([NH2+]C[C@@H](C)O)[C@@H]1CCCC[NH2+]1 386399891 409935964 /nfs/dbraw/zinc/93/59/64/409935964.db2.gz GXCWMEBKQVKBAB-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]([NH2+][C@H](C)CO)[C@@H]1CCCC[NH2+]1 386472053 409936839 /nfs/dbraw/zinc/93/68/39/409936839.db2.gz QRNFLBAVSGOKFG-UTLUCORTSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]([NH2+][C@H](C)CO)[C@H]1CCCC[NH2+]1 386472044 409936987 /nfs/dbraw/zinc/93/69/87/409936987.db2.gz QRNFLBAVSGOKFG-KXUCPTDWSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 386472046 409939022 /nfs/dbraw/zinc/93/90/22/409939022.db2.gz QRNFLBAVSGOKFG-OPRDCNLKSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 386472026 409939072 /nfs/dbraw/zinc/93/90/72/409939072.db2.gz QRNFLBAVSGOKFG-BBBLOLIVSA-N 2 1 186.299 0.487 20 0 ACADMP CC[N@H+](CCCO)CC(C)(C)[NH3+] 388322367 409953019 /nfs/dbraw/zinc/95/30/19/409953019.db2.gz XTCJVPWMYYWEQW-UHFFFAOYSA-N 2 1 174.288 0.428 20 0 ACADMP CC[N@@H+](CCCO)CC(C)(C)[NH3+] 388322367 409953023 /nfs/dbraw/zinc/95/30/23/409953023.db2.gz XTCJVPWMYYWEQW-UHFFFAOYSA-N 2 1 174.288 0.428 20 0 ACADMP CC[N@H+](CCO)CC(C)(C)[NH3+] 388505261 409957333 /nfs/dbraw/zinc/95/73/33/409957333.db2.gz OFWJOKJLBKSZJD-UHFFFAOYSA-N 2 1 160.261 0.038 20 0 ACADMP CC[N@@H+](CCO)CC(C)(C)[NH3+] 388505261 409957338 /nfs/dbraw/zinc/95/73/38/409957338.db2.gz OFWJOKJLBKSZJD-UHFFFAOYSA-N 2 1 160.261 0.038 20 0 ACADMP C[C@H]([NH2+]CC[NH3+])[C@H]1CCCOC1 388514355 409957379 /nfs/dbraw/zinc/95/73/79/409957379.db2.gz WALAATAJYLOWFU-IUCAKERBSA-N 2 1 172.272 0.350 20 0 ACADMP C[C@@H]([NH2+]CC[NH3+])[C@@H]1CCCOC1 388514356 409957936 /nfs/dbraw/zinc/95/79/36/409957936.db2.gz WALAATAJYLOWFU-RKDXNWHRSA-N 2 1 172.272 0.350 20 0 ACADMP C[C@H]([NH2+]CC[NH3+])[C@@H]1CCCOC1 388514354 409958175 /nfs/dbraw/zinc/95/81/75/409958175.db2.gz WALAATAJYLOWFU-DTWKUNHWSA-N 2 1 172.272 0.350 20 0 ACADMP C[C@@H]([NH2+]CC[NH3+])[C@H]1CCCOC1 388514353 409959126 /nfs/dbraw/zinc/95/91/26/409959126.db2.gz WALAATAJYLOWFU-BDAKNGLRSA-N 2 1 172.272 0.350 20 0 ACADMP COCCC[NH2+][C@@](C)(C[NH3+])C(C)C 388674246 409960585 /nfs/dbraw/zinc/96/05/85/409960585.db2.gz YRFLRUIUCFZTLE-JTQLQIEISA-N 2 1 188.315 0.986 20 0 ACADMP COCCC[NH2+][C@](C)(C[NH3+])C(C)C 388674247 409960592 /nfs/dbraw/zinc/96/05/92/409960592.db2.gz YRFLRUIUCFZTLE-SNVBAGLBSA-N 2 1 188.315 0.986 20 0 ACADMP C[N@H+](C[C@H](O)CN1CCCC1)C1CC1 388982507 409966306 /nfs/dbraw/zinc/96/63/06/409966306.db2.gz QJMSFSQNLGALFM-NSHDSACASA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+](C[C@H](O)CN1CCCC1)C1CC1 388982507 409966311 /nfs/dbraw/zinc/96/63/11/409966311.db2.gz QJMSFSQNLGALFM-NSHDSACASA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 388982507 409966317 /nfs/dbraw/zinc/96/63/17/409966317.db2.gz QJMSFSQNLGALFM-NSHDSACASA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 388982507 409966324 /nfs/dbraw/zinc/96/63/24/409966324.db2.gz QJMSFSQNLGALFM-NSHDSACASA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+](C[C@@H](O)CN1CCCC1)C1CC1 388982506 409966444 /nfs/dbraw/zinc/96/64/44/409966444.db2.gz QJMSFSQNLGALFM-LLVKDONJSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+](C[C@@H](O)CN1CCCC1)C1CC1 388982506 409966452 /nfs/dbraw/zinc/96/64/52/409966452.db2.gz QJMSFSQNLGALFM-LLVKDONJSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 388982506 409966458 /nfs/dbraw/zinc/96/64/58/409966458.db2.gz QJMSFSQNLGALFM-LLVKDONJSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 388982506 409966463 /nfs/dbraw/zinc/96/64/63/409966463.db2.gz QJMSFSQNLGALFM-LLVKDONJSA-N 2 1 198.310 0.537 20 0 ACADMP COCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 389262835 409968360 /nfs/dbraw/zinc/96/83/60/409968360.db2.gz IGSNEMMTMOBROG-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP CCCC[N@@H+](CCO)CC(C)(C)[NH3+] 389280961 409968410 /nfs/dbraw/zinc/96/84/10/409968410.db2.gz RPONOZAUJXIZNS-UHFFFAOYSA-N 2 1 188.315 0.818 20 0 ACADMP COCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 389262834 409968685 /nfs/dbraw/zinc/96/86/85/409968685.db2.gz IGSNEMMTMOBROG-GHMZBOCLSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 389262096 409968886 /nfs/dbraw/zinc/96/88/86/409968886.db2.gz HBQIQDLMVBBPTK-JTQLQIEISA-N 3 1 185.315 0.267 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 389262096 409968895 /nfs/dbraw/zinc/96/88/95/409968895.db2.gz HBQIQDLMVBBPTK-JTQLQIEISA-N 3 1 185.315 0.267 20 0 ACADMP COCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 389262837 409968985 /nfs/dbraw/zinc/96/89/85/409968985.db2.gz IGSNEMMTMOBROG-WDEREUQCSA-N 2 1 198.310 0.707 20 0 ACADMP COCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 389262836 409969107 /nfs/dbraw/zinc/96/91/07/409969107.db2.gz IGSNEMMTMOBROG-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP C[NH2+]CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 389262097 409969272 /nfs/dbraw/zinc/96/92/72/409969272.db2.gz HBQIQDLMVBBPTK-SNVBAGLBSA-N 3 1 185.315 0.267 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@](C)(C[NH3+])C1 389262097 409969280 /nfs/dbraw/zinc/96/92/80/409969280.db2.gz HBQIQDLMVBBPTK-SNVBAGLBSA-N 3 1 185.315 0.267 20 0 ACADMP C[N@@H+](CCC[NH3+])CC1CC[NH2+]CC1 389345305 409971777 /nfs/dbraw/zinc/97/17/77/409971777.db2.gz ZQJYMFOTVATJMS-UHFFFAOYSA-N 3 1 185.315 0.267 20 0 ACADMP C[N@H+](CCC[NH3+])Cc1ccc(N)nc1 389889060 409974935 /nfs/dbraw/zinc/97/49/35/409974935.db2.gz UPQJFCVEYHYDBG-UHFFFAOYSA-N 2 1 194.282 0.275 20 0 ACADMP C[N@@H+](CCC[NH3+])Cc1ccc(N)nc1 389889060 409974939 /nfs/dbraw/zinc/97/49/39/409974939.db2.gz UPQJFCVEYHYDBG-UHFFFAOYSA-N 2 1 194.282 0.275 20 0 ACADMP C[NH2+]CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 393679911 409989724 /nfs/dbraw/zinc/98/97/24/409989724.db2.gz VYSVTBFYHNSAPZ-NXEZZACHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 393679911 409989730 /nfs/dbraw/zinc/98/97/30/409989730.db2.gz VYSVTBFYHNSAPZ-NXEZZACHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 393679914 409991318 /nfs/dbraw/zinc/99/13/18/409991318.db2.gz VYSVTBFYHNSAPZ-VHSXEESVSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 393679914 409991321 /nfs/dbraw/zinc/99/13/21/409991321.db2.gz VYSVTBFYHNSAPZ-VHSXEESVSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 393679913 409991542 /nfs/dbraw/zinc/99/15/42/409991542.db2.gz VYSVTBFYHNSAPZ-UWVGGRQHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 393679913 409991546 /nfs/dbraw/zinc/99/15/46/409991546.db2.gz VYSVTBFYHNSAPZ-UWVGGRQHSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 393679916 409991616 /nfs/dbraw/zinc/99/16/16/409991616.db2.gz VYSVTBFYHNSAPZ-ZJUUUORDSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 393679916 409991621 /nfs/dbraw/zinc/99/16/21/409991621.db2.gz VYSVTBFYHNSAPZ-ZJUUUORDSA-N 3 1 185.315 0.265 20 0 ACADMP C[NH2+]CCC[N@@H+](C)CC(C)(C)OC 393889053 409994663 /nfs/dbraw/zinc/99/46/63/409994663.db2.gz FEEGDMGKUCGHAT-UHFFFAOYSA-N 2 1 188.315 0.953 20 0 ACADMP C[N@@H+](CCc1cn[nH]c1)C1CC([NH3+])C1 395072532 410003631 /nfs/dbraw/zinc/00/36/31/410003631.db2.gz YUIGDOYMRJYNNJ-UHFFFAOYSA-N 2 1 194.282 0.374 20 0 ACADMP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 397233193 410010796 /nfs/dbraw/zinc/01/07/96/410010796.db2.gz HKDNRACDPLUYDZ-GHMZBOCLSA-N 2 1 198.310 0.753 20 0 ACADMP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 397233195 410010854 /nfs/dbraw/zinc/01/08/54/410010854.db2.gz HKDNRACDPLUYDZ-QWRGUYRKSA-N 2 1 198.310 0.753 20 0 ACADMP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 397233197 410011525 /nfs/dbraw/zinc/01/15/25/410011525.db2.gz HKDNRACDPLUYDZ-WDEREUQCSA-N 2 1 198.310 0.753 20 0 ACADMP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 397233194 410011964 /nfs/dbraw/zinc/01/19/64/410011964.db2.gz HKDNRACDPLUYDZ-MNOVXSKESA-N 2 1 198.310 0.753 20 0 ACADMP C[N@@H+](C[C@@H]1CCOC1)CC(C)(C)[NH3+] 398971989 410024413 /nfs/dbraw/zinc/02/44/13/410024413.db2.gz WSZWSHUETLZEPU-VIFPVBQESA-N 2 1 186.299 0.692 20 0 ACADMP C[N@@H+](C[C@H]1CCOC1)CC(C)(C)[NH3+] 398971988 410025106 /nfs/dbraw/zinc/02/51/06/410025106.db2.gz WSZWSHUETLZEPU-SECBINFHSA-N 2 1 186.299 0.692 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@@H](O)CC[C@H]1C 399299506 410026693 /nfs/dbraw/zinc/02/66/93/410026693.db2.gz WOQPWURKTZKYCB-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@H](O)CC[C@H]1C 399299503 410027224 /nfs/dbraw/zinc/02/72/24/410027224.db2.gz WOQPWURKTZKYCB-NXEZZACHSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CO1 402113785 410034956 /nfs/dbraw/zinc/03/49/56/410034956.db2.gz FFYYZSNNLKQILB-ZNSHCXBVSA-N 2 1 198.310 0.894 20 0 ACADMP C[N@@H+](CC[C@@H]1CCOC1)C1CC([NH3+])C1 400562430 410029790 /nfs/dbraw/zinc/02/97/90/410029790.db2.gz SCFIFLICPWSMDR-KPPDAEKUSA-N 2 1 198.310 0.835 20 0 ACADMP C[N@@H+](CC[C@H]1CCOC1)C1CC([NH3+])C1 400562433 410030857 /nfs/dbraw/zinc/03/08/57/410030857.db2.gz SCFIFLICPWSMDR-WHXUTIOJSA-N 2 1 198.310 0.835 20 0 ACADMP C[C@H]([NH3+])C[NH+]1CCC(CCO)CC1 401046462 410032409 /nfs/dbraw/zinc/03/24/09/410032409.db2.gz WBPPWKMOFANNEC-VIFPVBQESA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H]([NH3+])C[NH+]1CCC(CCO)CC1 401046460 410033060 /nfs/dbraw/zinc/03/30/60/410033060.db2.gz WBPPWKMOFANNEC-SECBINFHSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@H]1CCOC1 400626056 410033096 /nfs/dbraw/zinc/03/30/96/410033096.db2.gz LURABKGQSSZKFH-JTQLQIEISA-N 2 1 186.299 0.694 20 0 ACADMP C[N@@H+](CCC[NH3+])CC[C@@H]1CCOC1 400626058 410033169 /nfs/dbraw/zinc/03/31/69/410033169.db2.gz LURABKGQSSZKFH-SNVBAGLBSA-N 2 1 186.299 0.694 20 0 ACADMP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCC[NH2+]1 402113782 410034918 /nfs/dbraw/zinc/03/49/18/410034918.db2.gz FFYYZSNNLKQILB-RCWTZXSCSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCC[NH2+]1 402113784 410035007 /nfs/dbraw/zinc/03/50/07/410035007.db2.gz FFYYZSNNLKQILB-VPOLOUISSA-N 2 1 198.310 0.894 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CO1 402113780 410036033 /nfs/dbraw/zinc/03/60/33/410036033.db2.gz FFYYZSNNLKQILB-CHWFTXMASA-N 2 1 198.310 0.894 20 0 ACADMP CC[C@@H]1C[N@H+](CCC[NH3+])[C@H](C)CO1 403848480 410039297 /nfs/dbraw/zinc/03/92/97/410039297.db2.gz SADQSWTVYINHJB-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@@H+](CCC[NH3+])[C@H](C)CO1 403848480 410039302 /nfs/dbraw/zinc/03/93/02/410039302.db2.gz SADQSWTVYINHJB-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@H+](CCC[NH3+])[C@@H](C)CO1 403848485 410040007 /nfs/dbraw/zinc/04/00/07/410040007.db2.gz SADQSWTVYINHJB-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@@H+](CCC[NH3+])[C@@H](C)CO1 403848485 410040013 /nfs/dbraw/zinc/04/00/13/410040013.db2.gz SADQSWTVYINHJB-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@H+](CCC[NH3+])[C@H](C)CO1 403848488 410040240 /nfs/dbraw/zinc/04/02/40/410040240.db2.gz SADQSWTVYINHJB-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@@H+](CCC[NH3+])[C@H](C)CO1 403848488 410040248 /nfs/dbraw/zinc/04/02/48/410040248.db2.gz SADQSWTVYINHJB-ZJUUUORDSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@H+](CCC[NH3+])[C@@H](C)CO1 403848482 410040693 /nfs/dbraw/zinc/04/06/93/410040693.db2.gz SADQSWTVYINHJB-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H]1C[N@@H+](CCC[NH3+])[C@@H](C)CO1 403848482 410040699 /nfs/dbraw/zinc/04/06/99/410040699.db2.gz SADQSWTVYINHJB-UWVGGRQHSA-N 2 1 186.299 0.835 20 0 ACADMP C[NH2+]CCC[N@@H+](CCCO)C1CC1 404234888 410042962 /nfs/dbraw/zinc/04/29/62/410042962.db2.gz JQRFEQHWOLXOLQ-UHFFFAOYSA-N 2 1 186.299 0.443 20 0 ACADMP CC(C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 536953288 410049858 /nfs/dbraw/zinc/04/98/58/410049858.db2.gz GVXFKEYTMQMQLV-VHSXEESVSA-N 2 1 168.284 0.936 20 0 ACADMP CC(C)[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 536953287 410049908 /nfs/dbraw/zinc/04/99/08/410049908.db2.gz GVXFKEYTMQMQLV-UWVGGRQHSA-N 2 1 168.284 0.936 20 0 ACADMP CC(C)[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 536953285 410049891 /nfs/dbraw/zinc/04/98/91/410049891.db2.gz GVXFKEYTMQMQLV-NXEZZACHSA-N 2 1 168.284 0.936 20 0 ACADMP CC(C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 536953289 410050084 /nfs/dbraw/zinc/05/00/84/410050084.db2.gz GVXFKEYTMQMQLV-ZJUUUORDSA-N 2 1 168.284 0.936 20 0 ACADMP C[NH2+]CCC[NH2+]Cc1ccc(N)nc1 647546734 410167907 /nfs/dbraw/zinc/16/79/07/410167907.db2.gz YMLYOWBLMXBDEC-UHFFFAOYSA-N 2 1 194.282 0.363 20 0 ACADMP CC(C)([NH3+])C[NH2+]Cc1ccc(N)nc1 647546629 410167928 /nfs/dbraw/zinc/16/79/28/410167928.db2.gz SPDBJUPKITVPSE-UHFFFAOYSA-N 2 1 194.282 0.491 20 0 ACADMP C[C@@H]1CCC[N@H+](CCC[NH3+])[C@@H]1CC[NH3+] 650711713 410275301 /nfs/dbraw/zinc/27/53/01/410275301.db2.gz ARBSBKZXOQNJHJ-GHMZBOCLSA-N 3 1 199.342 0.785 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1CC[NH3+] 650711713 410275306 /nfs/dbraw/zinc/27/53/06/410275306.db2.gz ARBSBKZXOQNJHJ-GHMZBOCLSA-N 3 1 199.342 0.785 20 0 ACADMP C[C@H]1CCC[N@H+](CCC[NH3+])[C@@H]1CC[NH3+] 650711716 410275945 /nfs/dbraw/zinc/27/59/45/410275945.db2.gz ARBSBKZXOQNJHJ-WDEREUQCSA-N 3 1 199.342 0.785 20 0 ACADMP C[C@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1CC[NH3+] 650711716 410275955 /nfs/dbraw/zinc/27/59/55/410275955.db2.gz ARBSBKZXOQNJHJ-WDEREUQCSA-N 3 1 199.342 0.785 20 0 ACADMP [NH3+]CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 650709778 410276220 /nfs/dbraw/zinc/27/62/20/410276220.db2.gz QEIFWUDLJPOBBR-QWRGUYRKSA-N 3 1 197.326 0.396 20 0 ACADMP [NH3+]CCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 650709778 410276227 /nfs/dbraw/zinc/27/62/27/410276227.db2.gz QEIFWUDLJPOBBR-QWRGUYRKSA-N 2 1 197.326 0.396 20 0 ACADMP C[C@H]1CCC[N@H+](CCC[NH3+])[C@H]1CC[NH3+] 650711715 410276428 /nfs/dbraw/zinc/27/64/28/410276428.db2.gz ARBSBKZXOQNJHJ-QWRGUYRKSA-N 3 1 199.342 0.785 20 0 ACADMP C[C@H]1CCC[N@@H+](CCC[NH3+])[C@H]1CC[NH3+] 650711715 410276432 /nfs/dbraw/zinc/27/64/32/410276432.db2.gz ARBSBKZXOQNJHJ-QWRGUYRKSA-N 3 1 199.342 0.785 20 0 ACADMP C[C@@H]1CCC[N@H+](CCC[NH3+])[C@H]1CC[NH3+] 650711714 410276695 /nfs/dbraw/zinc/27/66/95/410276695.db2.gz ARBSBKZXOQNJHJ-MNOVXSKESA-N 3 1 199.342 0.785 20 0 ACADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])[C@H]1CC[NH3+] 650711714 410276701 /nfs/dbraw/zinc/27/67/01/410276701.db2.gz ARBSBKZXOQNJHJ-MNOVXSKESA-N 3 1 199.342 0.785 20 0 ACADMP CC(C)([NH3+])CN1CCC(CC[NH3+])CC1 650721689 410279696 /nfs/dbraw/zinc/27/96/96/410279696.db2.gz YCHPANHCUIGSPO-UHFFFAOYSA-N 2 1 199.342 0.785 20 0 ACADMP CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 250600627 520215949 /nfs/dbraw/zinc/21/59/49/520215949.db2.gz DZKKDDDFPLHBOB-BDAKNGLRSA-N 2 1 156.273 0.936 20 0 ACADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ncc[nH]1 308339417 573274049 /nfs/dbraw/zinc/27/40/49/573274049.db2.gz QEUBCRYLSRQPBW-YUMQZZPRSA-N 2 1 182.271 0.655 20 0 ACADMP Cn1ccc(C[NH2+]CCC(C)(C)[NH3+])n1 308550205 573329166 /nfs/dbraw/zinc/32/91/66/573329166.db2.gz RMWDPCGNVURIEW-UHFFFAOYSA-N 2 1 196.298 0.637 20 0 ACADMP CC(C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 107223735 573434619 /nfs/dbraw/zinc/43/46/19/573434619.db2.gz LGWIQELBGCHTTG-VHSXEESVSA-N 2 1 168.284 0.936 20 0 ACADMP C[C@H]([NH3+])CCN[C@H]1CCC[N@@H+](C)C1 258778094 573570002 /nfs/dbraw/zinc/57/00/02/573570002.db2.gz OUYCPPLYCYPQDZ-UWVGGRQHSA-N 2 1 185.315 0.408 20 0 ACADMP C[C@H]([NH3+])CN[C@H]1CCC[N@@H+](C)C1 258794801 573577242 /nfs/dbraw/zinc/57/72/42/573577242.db2.gz QPGUQRJFJWWHOQ-IUCAKERBSA-N 2 1 171.288 0.017 20 0 ACADMP C[C@H]([NH3+])C[NH2+][C@H]1CCCN(C)C1 258794801 573577249 /nfs/dbraw/zinc/57/72/49/573577249.db2.gz QPGUQRJFJWWHOQ-IUCAKERBSA-N 2 1 171.288 0.017 20 0 ACADMP CN1CCC([NH2+]CCC(C)(C)[NH3+])CC1 258814378 573594181 /nfs/dbraw/zinc/59/41/81/573594181.db2.gz SWEYDPVIXSXNIQ-UHFFFAOYSA-N 2 1 199.342 0.798 20 0 ACADMP C[C@H](CCO)[NH2+]CC1=CC[N@@H+](C)CC1 308667748 573668838 /nfs/dbraw/zinc/66/88/38/573668838.db2.gz UAJMIQWFKFELHX-SNVBAGLBSA-N 2 1 198.310 0.609 20 0 ACADMP C[NH+]1CCC(C[NH2+]C(C)(C)C[NH3+])CC1 258883763 573697247 /nfs/dbraw/zinc/69/72/47/573697247.db2.gz QHZJRXVPUWZZIG-UHFFFAOYSA-N 3 1 199.342 0.655 20 0 ACADMP C[NH2+]CCC[N@H+]1CCC[C@H]1CO 42433526 573947918 /nfs/dbraw/zinc/94/79/18/573947918.db2.gz HXTKAMYDYBNITC-VIFPVBQESA-N 2 1 172.272 0.053 20 0 ACADMP [NH3+]C1CC([NH2+]Cc2ccccn2)C1 87651144 573995773 /nfs/dbraw/zinc/99/57/73/573995773.db2.gz YPBJRYHSJYTZKK-UHFFFAOYSA-N 2 1 177.251 0.661 20 0 ACADMP C[C@H]1C[N@H+](CCF)CC[C@@H]1[NH3+] 87776690 574032649 /nfs/dbraw/zinc/03/26/49/574032649.db2.gz SKSBUVRHBXGODO-YUMQZZPRSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@H]1C[N@@H+](CCF)CC[C@@H]1[NH3+] 87776690 574032652 /nfs/dbraw/zinc/03/26/52/574032652.db2.gz SKSBUVRHBXGODO-YUMQZZPRSA-N 2 1 160.236 0.625 20 0 ACADMP C[C@@H](CNc1cc(N)[nH+]cn1)[NH+](C)C 87825477 574044461 /nfs/dbraw/zinc/04/44/61/574044461.db2.gz NHOLNNMTOAZFNI-ZETCQYMHSA-N 2 1 195.270 0.421 20 0 ACADMP C[C@H](CNc1cc[nH+]c(N)n1)[NH+](C)C 87825591 574044817 /nfs/dbraw/zinc/04/48/17/574044817.db2.gz YPXFLIPIZCYROQ-SSDOTTSWSA-N 2 1 195.270 0.421 20 0 ACADMP C[C@@H](CNc1cc[nH+]c(N)n1)[NH+](C)C 87825589 574044942 /nfs/dbraw/zinc/04/49/42/574044942.db2.gz YPXFLIPIZCYROQ-ZETCQYMHSA-N 2 1 195.270 0.421 20 0 ACADMP C1C[NH2+]C[C@@H]([NH2+]CC2CCOCC2)C1 82544207 518400450 /nfs/dbraw/zinc/40/04/50/518400450.db2.gz GLPWDFYYLCLSFW-NSHDSACASA-N 2 1 198.310 0.755 20 0 ACADMP C1CC[N@@H+]2C[C@@H]3C[NH2+]C[C@H]3[C@H]2C1 242400302 518579178 /nfs/dbraw/zinc/57/91/78/518579178.db2.gz ATTNTEJBTCFFOL-IVZWLZJFSA-N 2 1 166.268 0.690 20 0 in-vitro ACADMP C1CC[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@H]2C1 242400303 518580344 /nfs/dbraw/zinc/58/03/44/518580344.db2.gz ATTNTEJBTCFFOL-LPEHRKFASA-N 2 1 166.268 0.690 20 0 in-vitro ACADMP CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 250600629 520118440 /nfs/dbraw/zinc/11/84/40/520118440.db2.gz DZKKDDDFPLHBOB-RKDXNWHRSA-N 2 1 156.273 0.936 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(O)CCC1 306611101 629665027 /nfs/dbraw/zinc/66/50/27/629665027.db2.gz LNPRIYOJYBRXKT-UWVGGRQHSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(O)CCC1 306611100 629666850 /nfs/dbraw/zinc/66/68/50/629666850.db2.gz LNPRIYOJYBRXKT-NXEZZACHSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(O)CCC1 306611103 629667594 /nfs/dbraw/zinc/66/75/94/629667594.db2.gz LNPRIYOJYBRXKT-ZJUUUORDSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@H]1COCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 306788918 629678493 /nfs/dbraw/zinc/67/84/93/629678493.db2.gz XPMCVZBSKBYEHP-MNOVXSKESA-N 2 1 198.310 0.564 20 0 ACADMP C[C@@H]1COCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 306788920 629678708 /nfs/dbraw/zinc/67/87/08/629678708.db2.gz XPMCVZBSKBYEHP-WDEREUQCSA-N 2 1 198.310 0.564 20 0 ACADMP C[C@@H]1COCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 306788919 629679681 /nfs/dbraw/zinc/67/96/81/629679681.db2.gz XPMCVZBSKBYEHP-QWRGUYRKSA-N 2 1 198.310 0.564 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306392937 629694165 /nfs/dbraw/zinc/69/41/65/629694165.db2.gz FSPKNFHYOYRFJV-DCAQKATOSA-N 2 1 198.310 0.428 20 0 ACADMP COCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306484267 629702496 /nfs/dbraw/zinc/70/24/96/629702496.db2.gz PLBWXXXFSGJMSM-VHSXEESVSA-N 2 1 184.283 0.174 20 0 ACADMP C[N@@H+](CCC[NH3+])CCCCCC[NH3+] 143509666 629731170 /nfs/dbraw/zinc/73/11/70/629731170.db2.gz OCGMPFJACRVDQZ-UHFFFAOYSA-N 3 1 187.331 0.786 20 0 ACADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCO)C2 307051390 629737624 /nfs/dbraw/zinc/73/76/24/629737624.db2.gz SRYMZQYACKKOFB-UWVGGRQHSA-N 2 1 184.283 0.040 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCOCC1 307087254 629737910 /nfs/dbraw/zinc/73/79/10/629737910.db2.gz LCKUBXURMFSOIB-ONGXEEELSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](N[C@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 307068941 629737965 /nfs/dbraw/zinc/73/79/65/629737965.db2.gz YHAMOKPROKKQKM-GARJFASQSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCOCC1 307087249 629738175 /nfs/dbraw/zinc/73/81/75/629738175.db2.gz LCKUBXURMFSOIB-KOLCDFICSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH2+]1 307068942 629739227 /nfs/dbraw/zinc/73/92/27/629739227.db2.gz YHAMOKPROKKQKM-HBNTYKKESA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307076465 629740378 /nfs/dbraw/zinc/74/03/78/629740378.db2.gz FSPKNFHYOYRFJV-VWYCJHECSA-N 2 1 198.310 0.428 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCOCC1 307087251 629741632 /nfs/dbraw/zinc/74/16/32/629741632.db2.gz LCKUBXURMFSOIB-MWLCHTKSSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](N[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 307068939 629741679 /nfs/dbraw/zinc/74/16/79/629741679.db2.gz YHAMOKPROKKQKM-AXFHLTTASA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCOCC1 307087248 629741923 /nfs/dbraw/zinc/74/19/23/629741923.db2.gz LCKUBXURMFSOIB-GXSJLCMTSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 307342674 629760566 /nfs/dbraw/zinc/76/05/66/629760566.db2.gz WBFWHVJTBIQRBM-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 307342675 629763365 /nfs/dbraw/zinc/76/33/65/629763365.db2.gz WBFWHVJTBIQRBM-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP CCNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 307478416 629770610 /nfs/dbraw/zinc/77/06/10/629770610.db2.gz NDVMWLPCKSOXHD-UHFFFAOYSA-N 2 1 196.298 0.382 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1C 307546864 629778886 /nfs/dbraw/zinc/77/88/86/629778886.db2.gz AILXNFPSNYMHRO-LNFKQOIKSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1C 307546864 629778891 /nfs/dbraw/zinc/77/88/91/629778891.db2.gz AILXNFPSNYMHRO-LNFKQOIKSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1C 307546861 629780259 /nfs/dbraw/zinc/78/02/59/629780259.db2.gz AILXNFPSNYMHRO-GWOFURMSSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1C 307546861 629780270 /nfs/dbraw/zinc/78/02/70/629780270.db2.gz AILXNFPSNYMHRO-GWOFURMSSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1C 307546865 629781006 /nfs/dbraw/zinc/78/10/06/629781006.db2.gz AILXNFPSNYMHRO-UKKRHICBSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1C 307546865 629781022 /nfs/dbraw/zinc/78/10/22/629781022.db2.gz AILXNFPSNYMHRO-UKKRHICBSA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@@H+]1C 307546862 629781329 /nfs/dbraw/zinc/78/13/29/629781329.db2.gz AILXNFPSNYMHRO-LMLFDSFASA-N 2 1 198.310 0.582 20 0 ACADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)CC[N@H+]1C 307546862 629781335 /nfs/dbraw/zinc/78/13/35/629781335.db2.gz AILXNFPSNYMHRO-LMLFDSFASA-N 2 1 198.310 0.582 20 0 ACADMP FCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 307622199 629793000 /nfs/dbraw/zinc/79/30/00/629793000.db2.gz KXJJUUZRRKYFKX-VHSXEESVSA-N 2 1 186.274 0.887 20 0 ACADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 307712911 629804696 /nfs/dbraw/zinc/80/46/96/629804696.db2.gz YURDBRXRNSIAMF-VWYCJHECSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 307712911 629804700 /nfs/dbraw/zinc/80/47/00/629804700.db2.gz YURDBRXRNSIAMF-VWYCJHECSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 307712908 629804846 /nfs/dbraw/zinc/80/48/46/629804846.db2.gz YURDBRXRNSIAMF-GMTAPVOTSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 307712908 629804848 /nfs/dbraw/zinc/80/48/48/629804848.db2.gz YURDBRXRNSIAMF-GMTAPVOTSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 307712909 629806179 /nfs/dbraw/zinc/80/61/79/629806179.db2.gz YURDBRXRNSIAMF-MXWKQRLJSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 307712909 629806187 /nfs/dbraw/zinc/80/61/87/629806187.db2.gz YURDBRXRNSIAMF-MXWKQRLJSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 307712910 629806278 /nfs/dbraw/zinc/80/62/78/629806278.db2.gz YURDBRXRNSIAMF-OUAUKWLOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 307712910 629806281 /nfs/dbraw/zinc/80/62/81/629806281.db2.gz YURDBRXRNSIAMF-OUAUKWLOSA-N 2 1 198.310 0.441 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 308132863 629836168 /nfs/dbraw/zinc/83/61/68/629836168.db2.gz GDNOYYZHHHJOAQ-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 308132864 629836485 /nfs/dbraw/zinc/83/64/85/629836485.db2.gz GDNOYYZHHHJOAQ-VHSXEESVSA-N 2 1 186.299 0.428 20 0 ACADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]1CO 934015589 629871552 /nfs/dbraw/zinc/87/15/52/629871552.db2.gz DKCDFXQOTCNFAO-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]1CO 934015589 629871554 /nfs/dbraw/zinc/87/15/54/629871554.db2.gz DKCDFXQOTCNFAO-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]1CO 934015589 629871558 /nfs/dbraw/zinc/87/15/58/629871558.db2.gz DKCDFXQOTCNFAO-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]1CO 934015589 629871563 /nfs/dbraw/zinc/87/15/63/629871563.db2.gz DKCDFXQOTCNFAO-MNOVXSKESA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H]1CO 934015590 629871887 /nfs/dbraw/zinc/87/18/87/629871887.db2.gz DKCDFXQOTCNFAO-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H]1CO 934015590 629871889 /nfs/dbraw/zinc/87/18/89/629871889.db2.gz DKCDFXQOTCNFAO-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H]1CO 934015590 629871893 /nfs/dbraw/zinc/87/18/93/629871893.db2.gz DKCDFXQOTCNFAO-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H]1CO 934015590 629871897 /nfs/dbraw/zinc/87/18/97/629871897.db2.gz DKCDFXQOTCNFAO-QWRGUYRKSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]1CO 934015591 629873794 /nfs/dbraw/zinc/87/37/94/629873794.db2.gz DKCDFXQOTCNFAO-WDEREUQCSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H]1CO 934015591 629873796 /nfs/dbraw/zinc/87/37/96/629873796.db2.gz DKCDFXQOTCNFAO-WDEREUQCSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H]1CO 934015591 629873797 /nfs/dbraw/zinc/87/37/97/629873797.db2.gz DKCDFXQOTCNFAO-WDEREUQCSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H]1CO 934015591 629873799 /nfs/dbraw/zinc/87/37/99/629873799.db2.gz DKCDFXQOTCNFAO-WDEREUQCSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]1CO 934015588 629873937 /nfs/dbraw/zinc/87/39/37/629873937.db2.gz DKCDFXQOTCNFAO-GHMZBOCLSA-N 2 1 198.310 0.537 20 0 ACADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]1CO 934015588 629873939 /nfs/dbraw/zinc/87/39/39/629873939.db2.gz DKCDFXQOTCNFAO-GHMZBOCLSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]1CO 934015588 629873943 /nfs/dbraw/zinc/87/39/43/629873943.db2.gz DKCDFXQOTCNFAO-GHMZBOCLSA-N 2 1 198.310 0.537 20 0 ACADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]1CO 934015588 629873949 /nfs/dbraw/zinc/87/39/49/629873949.db2.gz DKCDFXQOTCNFAO-GHMZBOCLSA-N 2 1 198.310 0.537 20 0 ACADMP CCNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 849004194 629888979 /nfs/dbraw/zinc/88/89/79/629888979.db2.gz GTUIBKLJNDXHKL-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP C[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] 51840423 629890089 /nfs/dbraw/zinc/89/00/89/629890089.db2.gz SLGPNBORWILFDF-QMMMGPOBSA-N 2 1 174.288 0.284 20 0 ACADMP CN(C)C(=[NH2+])NCC1=CC[N@@H+](C)CC1 849017041 629891176 /nfs/dbraw/zinc/89/11/76/629891176.db2.gz YBRLJDGNQMJKDZ-UHFFFAOYSA-N 2 1 196.298 0.334 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C 169286534 629902051 /nfs/dbraw/zinc/90/20/51/629902051.db2.gz LNAPIHKCBMRHBL-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C 169286534 629902060 /nfs/dbraw/zinc/90/20/60/629902060.db2.gz LNAPIHKCBMRHBL-ZJUUUORDSA-N 2 1 186.299 0.441 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](C)O 169283699 629903292 /nfs/dbraw/zinc/90/32/92/629903292.db2.gz ZRJLFCCBJPRASJ-DTWKUNHWSA-N 2 1 172.272 0.051 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](C)O 169283699 629903303 /nfs/dbraw/zinc/90/33/03/629903303.db2.gz ZRJLFCCBJPRASJ-DTWKUNHWSA-N 2 1 172.272 0.051 20 0 ACADMP C[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 235251583 629905133 /nfs/dbraw/zinc/90/51/33/629905133.db2.gz WMMIGKUIPBBKNT-VXNVDRBHSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 235251583 629905153 /nfs/dbraw/zinc/90/51/53/629905153.db2.gz WMMIGKUIPBBKNT-VXNVDRBHSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 235495242 629921996 /nfs/dbraw/zinc/92/19/96/629921996.db2.gz RNCOWZBTPJOCJB-XHNCKOQMSA-N 2 1 172.272 0.036 20 0 ACADMP CCCNC(=[NH2+])NC[C@H](C)[NH+](C)C 52043009 629926537 /nfs/dbraw/zinc/92/65/37/629926537.db2.gz HLSPOWNUWSTHOS-QMMMGPOBSA-N 2 1 186.303 0.460 20 0 ACADMP C[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 235549607 629926724 /nfs/dbraw/zinc/92/67/24/629926724.db2.gz WMMIGKUIPBBKNT-IONNQARKSA-N 2 1 172.272 0.036 20 0 ACADMP C[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 235549607 629926734 /nfs/dbraw/zinc/92/67/34/629926734.db2.gz WMMIGKUIPBBKNT-IONNQARKSA-N 2 1 172.272 0.036 20 0 ACADMP CCCNC(=[NH2+])NC[C@@H](C)[NH+](C)C 52043007 629927160 /nfs/dbraw/zinc/92/71/60/629927160.db2.gz HLSPOWNUWSTHOS-MRVPVSSYSA-N 2 1 186.303 0.460 20 0 ACADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 52042194 629927837 /nfs/dbraw/zinc/92/78/37/629927837.db2.gz WXJAEQDLWYVPDG-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP CC(C)NC(=[NH2+])NC[C@@H](C)[NH+](C)C 52043011 629927933 /nfs/dbraw/zinc/92/79/33/629927933.db2.gz DPFJKORJHGEKLK-MRVPVSSYSA-N 2 1 186.303 0.459 20 0 ACADMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 52042196 629927991 /nfs/dbraw/zinc/92/79/91/629927991.db2.gz WXJAEQDLWYVPDG-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP CC(C)NC(=[NH2+])NC[C@H](C)[NH+](C)C 52043012 629928306 /nfs/dbraw/zinc/92/83/06/629928306.db2.gz DPFJKORJHGEKLK-QMMMGPOBSA-N 2 1 186.303 0.459 20 0 ACADMP CC[C@@H]1C[N@@H+](CCO)CC[C@@H]1[NH3+] 122169141 629962329 /nfs/dbraw/zinc/96/23/29/629962329.db2.gz TWODBXYCJDKZRR-BDAKNGLRSA-N 2 1 172.272 0.038 20 0 ACADMP CC[C@H]1C[N@@H+](CCO)CC[C@@H]1[NH3+] 122169377 629962437 /nfs/dbraw/zinc/96/24/37/629962437.db2.gz TWODBXYCJDKZRR-IUCAKERBSA-N 2 1 172.272 0.038 20 0 ACADMP COCC[NH2+][C@@H]1[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 328574943 630015894 /nfs/dbraw/zinc/01/58/94/630015894.db2.gz XMODFOHEVDQITR-MFDAYCCISA-N 2 1 196.294 0.219 20 0 ACADMP COCC[NH2+][C@@H]1[C@@H]2C[C@H]3[C@H](C[NH2+][C@H]31)C2 328574942 630017043 /nfs/dbraw/zinc/01/70/43/630017043.db2.gz XMODFOHEVDQITR-LADJIXMOSA-N 2 1 196.294 0.219 20 0 ACADMP C[C@@H](CCO)[NH2+]CC1=CC[N@@H+](C)CC1 308667745 630021041 /nfs/dbraw/zinc/02/10/41/630021041.db2.gz UAJMIQWFKFELHX-JTQLQIEISA-N 2 1 198.310 0.609 20 0 ACADMP COCC[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 328574944 630021678 /nfs/dbraw/zinc/02/16/78/630021678.db2.gz XMODFOHEVDQITR-OGBGREFGSA-N 2 1 196.294 0.219 20 0 ACADMP COC[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 53199508 630027759 /nfs/dbraw/zinc/02/77/59/630027759.db2.gz YDIRWPMWUUTRGO-NXEZZACHSA-N 2 1 186.299 0.692 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 925617964 630032216 /nfs/dbraw/zinc/03/22/16/630032216.db2.gz YJGHPNSRWPVTRK-DJLDLDEBSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CCC[NH2+][C@@H]1C 925617966 630031064 /nfs/dbraw/zinc/03/10/64/630031064.db2.gz YJGHPNSRWPVTRK-YIZRAAEISA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CCC[NH2+][C@H]1C 925617965 630031313 /nfs/dbraw/zinc/03/13/13/630031313.db2.gz YJGHPNSRWPVTRK-XHNCKOQMSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CCC[NH2+][C@H]1C 925617963 630031797 /nfs/dbraw/zinc/03/17/97/630031797.db2.gz YJGHPNSRWPVTRK-CIUDSAMLSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCO1 925680748 630033973 /nfs/dbraw/zinc/03/39/73/630033973.db2.gz TVTMMFBQVPWWMO-GMTAPVOTSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCO1 925680749 630034184 /nfs/dbraw/zinc/03/41/84/630034184.db2.gz TVTMMFBQVPWWMO-MXWKQRLJSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 925692158 630035226 /nfs/dbraw/zinc/03/52/26/630035226.db2.gz MLXZSHXHVHLEPH-AXTSPUMRSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 925692160 630035267 /nfs/dbraw/zinc/03/52/67/630035267.db2.gz MLXZSHXHVHLEPH-IMSYWVGJSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 925692159 630035702 /nfs/dbraw/zinc/03/57/02/630035702.db2.gz MLXZSHXHVHLEPH-DOLQZWNJSA-N 2 1 184.283 0.240 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 925692161 630035742 /nfs/dbraw/zinc/03/57/42/630035742.db2.gz MLXZSHXHVHLEPH-QEYWKRMJSA-N 2 1 184.283 0.240 20 0 ACADMP CNC(=[NH2+])NCC[N@@H+](C)C(C)C 54108817 630038095 /nfs/dbraw/zinc/03/80/95/630038095.db2.gz OSPTUAKDORLGAV-UHFFFAOYSA-N 2 1 172.276 0.070 20 0 ACADMP [NH3+]CC[N@@H+]1CCCCC[C@@H]1CO 124581817 630040205 /nfs/dbraw/zinc/04/02/05/630040205.db2.gz JVNCZQPRNIRYPP-SECBINFHSA-N 2 1 172.272 0.182 20 0 ACADMP [NH3+]CC[N@H+]1CCCCC[C@@H]1CO 124581817 630040207 /nfs/dbraw/zinc/04/02/07/630040207.db2.gz JVNCZQPRNIRYPP-SECBINFHSA-N 2 1 172.272 0.182 20 0 ACADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1C[NH2+]C1 925777000 630052943 /nfs/dbraw/zinc/05/29/43/630052943.db2.gz BOCPXYHUCBLLRM-GDPRMGEGSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1C[NH2+]C1 925777003 630053344 /nfs/dbraw/zinc/05/33/44/630053344.db2.gz BOCPXYHUCBLLRM-JMJZKYOTSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)C1C[NH2+]C1 925777005 630053998 /nfs/dbraw/zinc/05/39/98/630053998.db2.gz BOCPXYHUCBLLRM-LSJOCFKGSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1C[NH2+]C1 925777002 630054220 /nfs/dbraw/zinc/05/42/20/630054220.db2.gz BOCPXYHUCBLLRM-INTQDDNPSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 227605793 630055535 /nfs/dbraw/zinc/05/55/35/630055535.db2.gz QWCFOSQJSLCEEW-AXFHLTTASA-N 2 1 199.342 0.796 20 0 ACADMP C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 227605781 630056542 /nfs/dbraw/zinc/05/65/42/630056542.db2.gz QWCFOSQJSLCEEW-HBNTYKKESA-N 2 1 199.342 0.796 20 0 ACADMP C[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 222980259 630057254 /nfs/dbraw/zinc/05/72/54/630057254.db2.gz SXBVRPLPEAZPCY-MXWKQRLJSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 222980259 630057259 /nfs/dbraw/zinc/05/72/59/630057259.db2.gz SXBVRPLPEAZPCY-MXWKQRLJSA-N 2 1 197.326 0.550 20 0 ACADMP C[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 925825664 630058034 /nfs/dbraw/zinc/05/80/34/630058034.db2.gz BDHWAOUDGWENGG-VPOLOUISSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]1COC[C@H]1[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 925825663 630058619 /nfs/dbraw/zinc/05/86/19/630058619.db2.gz BDHWAOUDGWENGG-LMLFDSFASA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 925825662 630059270 /nfs/dbraw/zinc/05/92/70/630059270.db2.gz BDHWAOUDGWENGG-GWOFURMSSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]1COC[C@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 925825661 630059811 /nfs/dbraw/zinc/05/98/11/630059811.db2.gz BDHWAOUDGWENGG-CHWFTXMASA-N 2 1 198.310 0.751 20 0 ACADMP OC[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 108310182 630073971 /nfs/dbraw/zinc/07/39/71/630073971.db2.gz QBDAAOOHDORVNA-QWRGUYRKSA-N 2 1 198.310 0.443 20 0 ACADMP OC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 108310179 630074676 /nfs/dbraw/zinc/07/46/76/630074676.db2.gz QBDAAOOHDORVNA-WDEREUQCSA-N 2 1 198.310 0.443 20 0 ACADMP CC(C)([NH3+])C[N@@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 306187795 630081807 /nfs/dbraw/zinc/08/18/07/630081807.db2.gz NYTCRYRZNXDIAI-AEJSXWLSSA-N 2 1 198.310 0.426 20 0 ACADMP COC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306206656 630086432 /nfs/dbraw/zinc/08/64/32/630086432.db2.gz QEDQFLJTUMWIKX-GARJFASQSA-N 2 1 198.310 0.563 20 0 ACADMP C[C@H](O)C[N@H+]1CCC2(CC[NH2+]CC2)C1 306385714 630104053 /nfs/dbraw/zinc/10/40/53/630104053.db2.gz GUKRFAVLFMJNKK-JTQLQIEISA-N 2 1 198.310 0.443 20 0 ACADMP CC(C)(N)C[NH2+]C1CCC([NH3+])CC1 306427798 630106983 /nfs/dbraw/zinc/10/69/83/630106983.db2.gz LNBCREKFLONTHK-UHFFFAOYSA-N 2 1 185.315 0.583 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 306617433 630124605 /nfs/dbraw/zinc/12/46/05/630124605.db2.gz RAZZHRGIYLWFRP-XHNCKOQMSA-N 2 1 172.272 0.097 20 0 ACADMP C[N@@H+](CC(C)(C)N)C1CCC([NH3+])CC1 306642261 630124923 /nfs/dbraw/zinc/12/49/23/630124923.db2.gz SFVIYLUUUAWIKP-UHFFFAOYSA-N 2 1 199.342 0.925 20 0 ACADMP CN(CC(C)(C)[NH3+])C1CCC([NH3+])CC1 306642261 630124927 /nfs/dbraw/zinc/12/49/27/630124927.db2.gz SFVIYLUUUAWIKP-UHFFFAOYSA-N 2 1 199.342 0.925 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 306617434 630124964 /nfs/dbraw/zinc/12/49/64/630124964.db2.gz RAZZHRGIYLWFRP-YIZRAAEISA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 306617432 630126258 /nfs/dbraw/zinc/12/62/58/630126258.db2.gz RAZZHRGIYLWFRP-DJLDLDEBSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(O)CCC1 306611102 630126642 /nfs/dbraw/zinc/12/66/42/630126642.db2.gz LNPRIYOJYBRXKT-VHSXEESVSA-N 2 1 198.310 0.632 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CCC[NH2+][C@H]1C 306617431 630126792 /nfs/dbraw/zinc/12/67/92/630126792.db2.gz RAZZHRGIYLWFRP-CIUDSAMLSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 306621606 630126897 /nfs/dbraw/zinc/12/68/97/630126897.db2.gz ZKSAEIBTGCFCBA-GARJFASQSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 306621606 630126901 /nfs/dbraw/zinc/12/69/01/630126901.db2.gz ZKSAEIBTGCFCBA-GARJFASQSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 306621606 630126906 /nfs/dbraw/zinc/12/69/06/630126906.db2.gz ZKSAEIBTGCFCBA-GARJFASQSA-N 2 1 198.310 0.251 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C)CO 306873806 630132931 /nfs/dbraw/zinc/13/29/31/630132931.db2.gz YJGHPNSRWPVTRK-VGMNWLOBSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](CO)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 306873805 630133571 /nfs/dbraw/zinc/13/35/71/630133571.db2.gz YJGHPNSRWPVTRK-IWSPIJDZSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCO1 306870598 630135190 /nfs/dbraw/zinc/13/51/90/630135190.db2.gz TVTMMFBQVPWWMO-AXFHLTTASA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](CO)[NH2+][C@H]1CCC[NH2+][C@@H]1C 306873803 630135378 /nfs/dbraw/zinc/13/53/78/630135378.db2.gz YJGHPNSRWPVTRK-HLTSFMKQSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C)CO 306873804 630135860 /nfs/dbraw/zinc/13/58/60/630135860.db2.gz YJGHPNSRWPVTRK-HRDYMLBCSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](N[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH2+]1 307068940 630145140 /nfs/dbraw/zinc/14/51/40/630145140.db2.gz YHAMOKPROKKQKM-DCAQKATOSA-N 2 1 197.326 0.421 20 0 ACADMP CC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 126717811 630149417 /nfs/dbraw/zinc/14/94/17/630149417.db2.gz CUEJNNDPDYCKMR-UWVGGRQHSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 126717811 630149421 /nfs/dbraw/zinc/14/94/21/630149421.db2.gz CUEJNNDPDYCKMR-UWVGGRQHSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C[NH3+] 307236345 630156438 /nfs/dbraw/zinc/15/64/38/630156438.db2.gz VMKMBDWEUGFXOI-BBBLOLIVSA-N 2 1 186.299 0.284 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[N@@H+](C)C1 307475782 630167545 /nfs/dbraw/zinc/16/75/45/630167545.db2.gz YJXSNADIWBXDRY-AXFHLTTASA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H](CNC1=[NH+]CCCN1C)[NH+](C)C 307413348 630163198 /nfs/dbraw/zinc/16/31/98/630163198.db2.gz UIVIRUNTKCAROX-VIFPVBQESA-N 2 1 198.314 0.218 20 0 ACADMP C[C@H](CNC1=[NH+]CCCN1C)[NH+](C)C 307413347 630164475 /nfs/dbraw/zinc/16/44/75/630164475.db2.gz UIVIRUNTKCAROX-SECBINFHSA-N 2 1 198.314 0.218 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[N@@H+](C)C1 307475785 630166858 /nfs/dbraw/zinc/16/68/58/630166858.db2.gz YJXSNADIWBXDRY-HBNTYKKESA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CC[N@@H+](C)C1 307475783 630168515 /nfs/dbraw/zinc/16/85/15/630168515.db2.gz YJXSNADIWBXDRY-DCAQKATOSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CC[N@@H+](C)C1 307475784 630169135 /nfs/dbraw/zinc/16/91/35/630169135.db2.gz YJXSNADIWBXDRY-GARJFASQSA-N 2 1 197.326 0.421 20 0 ACADMP C[N@H+]1CC[C@@H]2C[NH+](CCCO)C[C@@H]2C1 307440430 630169407 /nfs/dbraw/zinc/16/94/07/630169407.db2.gz YKHVMSHAHKSZOF-MNOVXSKESA-N 2 1 198.310 0.252 20 0 ACADMP C[NH+]1CC[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 307440430 630169408 /nfs/dbraw/zinc/16/94/08/630169408.db2.gz YKHVMSHAHKSZOF-MNOVXSKESA-N 2 1 198.310 0.252 20 0 ACADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 307440430 630169411 /nfs/dbraw/zinc/16/94/11/630169411.db2.gz YKHVMSHAHKSZOF-MNOVXSKESA-N 2 1 198.310 0.252 20 0 ACADMP C[N@@H+](CCN)C1CCC([NH3+])CC1 307568748 630172655 /nfs/dbraw/zinc/17/26/55/630172655.db2.gz WJKYYGMQOHCLER-UHFFFAOYSA-N 2 1 171.288 0.147 20 0 ACADMP CN(CC[NH3+])C1CCC([NH3+])CC1 307568748 630172659 /nfs/dbraw/zinc/17/26/59/630172659.db2.gz WJKYYGMQOHCLER-UHFFFAOYSA-N 2 1 171.288 0.147 20 0 ACADMP C[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 307707515 630185736 /nfs/dbraw/zinc/18/57/36/630185736.db2.gz ZIIPZFWRXBGRNY-SSDOTTSWSA-N 2 1 154.257 0.866 20 0 ACADMP [NH3+]CC[N@@H+]1CCCCC[C@H]1CO 124582037 630195642 /nfs/dbraw/zinc/19/56/42/630195642.db2.gz JVNCZQPRNIRYPP-VIFPVBQESA-N 2 1 172.272 0.182 20 0 ACADMP [NH3+]CC[N@H+]1CCCCC[C@H]1CO 124582037 630195646 /nfs/dbraw/zinc/19/56/46/630195646.db2.gz JVNCZQPRNIRYPP-VIFPVBQESA-N 2 1 172.272 0.182 20 0 ACADMP Cc1ccncc1C[NH2+]C1CC([NH3+])C1 167245938 630235297 /nfs/dbraw/zinc/23/52/97/630235297.db2.gz ITCGZVZRGQQNMY-UHFFFAOYSA-N 2 1 191.278 0.969 20 0 ACADMP CC(C)([NH3+])C[N@H+](CCO)C1CC1 379369589 630240224 /nfs/dbraw/zinc/24/02/24/630240224.db2.gz DVDLGMPCQNVIGF-UHFFFAOYSA-N 2 1 172.272 0.180 20 0 ACADMP CC(C)([NH3+])C[N@@H+](CCO)C1CC1 379369589 630240239 /nfs/dbraw/zinc/24/02/39/630240239.db2.gz DVDLGMPCQNVIGF-UHFFFAOYSA-N 2 1 172.272 0.180 20 0 ACADMP COCC[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 163068454 630749319 /nfs/dbraw/zinc/74/93/19/630749319.db2.gz ULAZRWVPFRICDO-BDAKNGLRSA-N 2 1 174.288 0.690 20 0 ACADMP CCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cn1 906508713 630751652 /nfs/dbraw/zinc/75/16/52/630751652.db2.gz WCLWCFKLXBPNOR-MGCOHNPYSA-N 2 1 194.282 0.482 20 0 ACADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(O)c2)C1 906508656 630752151 /nfs/dbraw/zinc/75/21/51/630752151.db2.gz SSOJKKULPDJPFO-MGCOHNPYSA-N 2 1 192.262 0.972 20 0 ACADMP CCn1nccc1C[NH2+]C1CC([NH3+])C1 906509514 630752299 /nfs/dbraw/zinc/75/22/99/630752299.db2.gz HCYLODULCSIWQU-UHFFFAOYSA-N 2 1 194.282 0.482 20 0 ACADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 906508040 630752378 /nfs/dbraw/zinc/75/23/78/630752378.db2.gz IPFNELALPLDJEK-MGCOHNPYSA-N 2 1 177.251 0.661 20 0 ACADMP CC(C)[C@H](C)[NH2+][C@@H](C)C[NH3+] 232710770 630752581 /nfs/dbraw/zinc/75/25/81/630752581.db2.gz WQGBQRIOZGKRAX-YUMQZZPRSA-N 2 1 144.262 0.968 20 0 ACADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](C)O 232730858 630752689 /nfs/dbraw/zinc/75/26/89/630752689.db2.gz IDYARNCCKNNMEK-VHSXEESVSA-N 2 1 188.315 0.672 20 0 ACADMP CC(C)[C@@H](C)[NH2+][C@@H](C)C[NH3+] 232703564 630752963 /nfs/dbraw/zinc/75/29/63/630752963.db2.gz WQGBQRIOZGKRAX-JGVFFNPUSA-N 2 1 144.262 0.968 20 0 ACADMP Nc1ncc(C[NH2+]C2CC([NH3+])C2)s1 906509989 630753157 /nfs/dbraw/zinc/75/31/57/630753157.db2.gz GRZMFHUXHCHLTC-UHFFFAOYSA-N 2 1 198.295 0.305 20 0 ACADMP Cc1n[nH]cc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906508335 630753278 /nfs/dbraw/zinc/75/32/78/630753278.db2.gz NKSDOIBUEHVNMR-KYZUINATSA-N 2 1 180.255 0.297 20 0 ACADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 906508754 630753562 /nfs/dbraw/zinc/75/35/62/630753562.db2.gz YPBJRYHSJYTZKK-CZMCAQCFSA-N 2 1 177.251 0.661 20 0 ACADMP Cc1ncccc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906507587 630753617 /nfs/dbraw/zinc/75/36/17/630753617.db2.gz ATNBSYIUNWIBRD-XYPYZODXSA-N 2 1 191.278 0.969 20 0 ACADMP C[N@@H+](CCCF)C[C@H]1CC[NH2+]C1 212589291 630768455 /nfs/dbraw/zinc/76/84/55/630768455.db2.gz WORNUXNDFLBFLH-VIFPVBQESA-N 2 1 174.263 0.887 20 0 ACADMP C[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 228165690 630773442 /nfs/dbraw/zinc/77/34/42/630773442.db2.gz DSXJTNZYFMICRR-RKDXNWHRSA-N 2 1 172.272 0.038 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](C)O 234390563 630778639 /nfs/dbraw/zinc/77/86/39/630778639.db2.gz ZRJLFCCBJPRASJ-IUCAKERBSA-N 2 1 172.272 0.051 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](C)O 234390563 630778640 /nfs/dbraw/zinc/77/86/40/630778640.db2.gz ZRJLFCCBJPRASJ-IUCAKERBSA-N 2 1 172.272 0.051 20 0 ACADMP CC1(C[NH2+]CC2([NH3+])CC2)CC1 232857224 630779622 /nfs/dbraw/zinc/77/96/22/630779622.db2.gz JMTNEHNUQHUPNP-UHFFFAOYSA-N 2 1 154.257 0.867 20 0 ACADMP [NH3+]CCC[N@@H+]1C[C@H]2[C@@H](O)CC[C@H]2C1 156419009 630833574 /nfs/dbraw/zinc/83/35/74/630833574.db2.gz UMAWPAHLKXNVTJ-AEJSXWLSSA-N 2 1 184.283 0.038 20 0 ACADMP C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 199952475 630836191 /nfs/dbraw/zinc/83/61/91/630836191.db2.gz WVLDFDYSYUGGJP-LLVKDONJSA-N 2 1 197.326 0.328 20 0 ACADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 199952475 630836193 /nfs/dbraw/zinc/83/61/93/630836193.db2.gz WVLDFDYSYUGGJP-LLVKDONJSA-N 2 1 197.326 0.328 20 0 ACADMP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 164393945 630836268 /nfs/dbraw/zinc/83/62/68/630836268.db2.gz LUGDYCIQGGZJBB-MMWGEVLESA-N 2 1 198.310 0.426 20 0 ACADMP CC(C)([NH3+])CC[NH2+]CCC[NH3+] 165015871 630838352 /nfs/dbraw/zinc/83/83/52/630838352.db2.gz APUJODRRVMCKPO-UHFFFAOYSA-N 3 1 159.277 0.052 20 0 ACADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCO 82594449 630841534 /nfs/dbraw/zinc/84/15/34/630841534.db2.gz XFQKTMAPQWKCDH-SECBINFHSA-N 2 1 172.272 0.182 20 0 ACADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCO 82594448 630843174 /nfs/dbraw/zinc/84/31/74/630843174.db2.gz XFQKTMAPQWKCDH-VIFPVBQESA-N 2 1 172.272 0.182 20 0 ACADMP C[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 226328369 630850533 /nfs/dbraw/zinc/85/05/33/630850533.db2.gz NMVYOVNGDBDISN-UWVGGRQHSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 226328362 630850849 /nfs/dbraw/zinc/85/08/49/630850849.db2.gz NMVYOVNGDBDISN-ZJUUUORDSA-N 2 1 186.299 0.428 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 227211172 630855391 /nfs/dbraw/zinc/85/53/91/630855391.db2.gz RNCOWZBTPJOCJB-DJLDLDEBSA-N 2 1 172.272 0.036 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227074335 630855677 /nfs/dbraw/zinc/85/56/77/630855677.db2.gz WIWGCTXZOBQXRZ-LPEHRKFASA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 168956646 630857318 /nfs/dbraw/zinc/85/73/18/630857318.db2.gz JDLVFFBURWEGMT-GUBZILKMSA-N 2 1 186.299 0.569 20 0 ACADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCO 227735055 630858035 /nfs/dbraw/zinc/85/80/35/630858035.db2.gz HEUAELCFRHRSMQ-VIFPVBQESA-N 2 1 174.288 0.284 20 0 ACADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCO 227735060 630858193 /nfs/dbraw/zinc/85/81/93/630858193.db2.gz HEUAELCFRHRSMQ-SECBINFHSA-N 2 1 174.288 0.284 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](C)O 227727671 630858204 /nfs/dbraw/zinc/85/82/04/630858204.db2.gz ZRJLFCCBJPRASJ-BDAKNGLRSA-N 2 1 172.272 0.051 20 0 ACADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](C)O 227727671 630858207 /nfs/dbraw/zinc/85/82/07/630858207.db2.gz ZRJLFCCBJPRASJ-BDAKNGLRSA-N 2 1 172.272 0.051 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](C)O 169283765 630858398 /nfs/dbraw/zinc/85/83/98/630858398.db2.gz ZRJLFCCBJPRASJ-RKDXNWHRSA-N 2 1 172.272 0.051 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](C)O 169283765 630858404 /nfs/dbraw/zinc/85/84/04/630858404.db2.gz ZRJLFCCBJPRASJ-RKDXNWHRSA-N 2 1 172.272 0.051 20 0 ACADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)O 227735551 630859030 /nfs/dbraw/zinc/85/90/30/630859030.db2.gz IDYARNCCKNNMEK-ZJUUUORDSA-N 2 1 188.315 0.672 20 0 ACADMP C[C@@H]1C[NH2+][C@@H]2C[NH2+]C[C@@H]2C1 227751216 630859205 /nfs/dbraw/zinc/85/92/05/630859205.db2.gz RZCTVHVCNKXEJK-BIIVOSGPSA-N 2 1 140.230 0.204 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 227707842 630859256 /nfs/dbraw/zinc/85/92/56/630859256.db2.gz JDLVFFBURWEGMT-AEJSXWLSSA-N 2 1 186.299 0.569 20 0 ACADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)O 227735558 630859439 /nfs/dbraw/zinc/85/94/39/630859439.db2.gz IDYARNCCKNNMEK-NXEZZACHSA-N 2 1 188.315 0.672 20 0 ACADMP C[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 228165700 630860591 /nfs/dbraw/zinc/86/05/91/630860591.db2.gz DSXJTNZYFMICRR-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP C[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] 228785090 630863477 /nfs/dbraw/zinc/86/34/77/630863477.db2.gz NIIGAZDYYGTKOF-ZJUUUORDSA-N 2 1 186.299 0.571 20 0 ACADMP C[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] 228785105 630864717 /nfs/dbraw/zinc/86/47/17/630864717.db2.gz NIIGAZDYYGTKOF-UWVGGRQHSA-N 2 1 186.299 0.571 20 0 ACADMP CCNC(=[NH2+])NCC[N@H+](C)C1CC1 62010569 630873443 /nfs/dbraw/zinc/87/34/43/630873443.db2.gz IKUUKMRPLGPLHS-UHFFFAOYSA-N 2 1 184.287 0.214 20 0 ACADMP CCNC(=[NH2+])NCC[N@@H+](C)C1CC1 62010569 630873448 /nfs/dbraw/zinc/87/34/48/630873448.db2.gz IKUUKMRPLGPLHS-UHFFFAOYSA-N 2 1 184.287 0.214 20 0 ACADMP CCCNC(=[NH2+])NCC[N@H+](C)C1CC1 62010570 630873543 /nfs/dbraw/zinc/87/35/43/630873543.db2.gz UNCXDJQJMSVTSE-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP CCCNC(=[NH2+])NCC[N@@H+](C)C1CC1 62010570 630873547 /nfs/dbraw/zinc/87/35/47/630873547.db2.gz UNCXDJQJMSVTSE-UHFFFAOYSA-N 2 1 198.314 0.605 20 0 ACADMP CC(C)NC(=[NH2+])NCC[N@H+](C)C1CC1 62010571 630875244 /nfs/dbraw/zinc/87/52/44/630875244.db2.gz FSQBMONKWXYAGJ-UHFFFAOYSA-N 2 1 198.314 0.603 20 0 ACADMP CC(C)NC(=[NH2+])NCC[N@@H+](C)C1CC1 62010571 630875247 /nfs/dbraw/zinc/87/52/47/630875247.db2.gz FSQBMONKWXYAGJ-UHFFFAOYSA-N 2 1 198.314 0.603 20 0 ACADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)CO 158896908 630879478 /nfs/dbraw/zinc/87/94/78/630879478.db2.gz ZQYGCOKCSDZTMH-SECBINFHSA-N 2 1 197.282 0.504 20 0 ACADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)CO 158896908 630879480 /nfs/dbraw/zinc/87/94/80/630879480.db2.gz ZQYGCOKCSDZTMH-SECBINFHSA-N 2 1 197.282 0.504 20 0 ACADMP CC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] 86638480 630879998 /nfs/dbraw/zinc/87/99/98/630879998.db2.gz JHCJVJHHLWJSQH-VIFPVBQESA-N 2 1 188.315 0.674 20 0 ACADMP CCO[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 701720762 630886182 /nfs/dbraw/zinc/88/61/82/630886182.db2.gz XQSFLKPKYZKGAA-MNOVXSKESA-N 2 1 198.310 0.707 20 0 ACADMP CCO[C@H]1CC[N@@H+](CCC[NH2+]C)C1 701720298 630886503 /nfs/dbraw/zinc/88/65/03/630886503.db2.gz PGBAMMRDQKIYAH-JTQLQIEISA-N 2 1 186.299 0.707 20 0 ACADMP CCO[C@H]1CC[N@@H+](CCC[NH3+])C1 701669120 630886852 /nfs/dbraw/zinc/88/68/52/630886852.db2.gz XNLCUPBWBVIVMN-VIFPVBQESA-N 2 1 172.272 0.446 20 0 ACADMP CCO[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 701720763 630887276 /nfs/dbraw/zinc/88/72/76/630887276.db2.gz XQSFLKPKYZKGAA-QWRGUYRKSA-N 2 1 198.310 0.707 20 0 ACADMP CCO[C@H]1CC[N@H+](CC(C)(C)[NH3+])C1 701766389 630887866 /nfs/dbraw/zinc/88/78/66/630887866.db2.gz AXSSDKDCTWEJFM-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP CCO[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 701766389 630887871 /nfs/dbraw/zinc/88/78/71/630887871.db2.gz AXSSDKDCTWEJFM-VIFPVBQESA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 86886898 630891101 /nfs/dbraw/zinc/89/11/01/630891101.db2.gz WIWGCTXZOBQXRZ-UTLUCORTSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]1CCC[N@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O 923313179 630892581 /nfs/dbraw/zinc/89/25/81/630892581.db2.gz OVSAXLNPHQOOAG-XKNYDFJKSA-N 2 1 184.283 0.321 20 0 ACADMP C[N@@H+](CC1CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923306772 630892691 /nfs/dbraw/zinc/89/26/91/630892691.db2.gz OYWUBRSZUFQIBZ-GUBZILKMSA-N 2 1 184.283 0.179 20 0 ACADMP C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923300453 630892833 /nfs/dbraw/zinc/89/28/33/630892833.db2.gz SKXHHRRZEXNTKQ-RCWTZXSCSA-N 2 1 198.310 0.569 20 0 ACADMP CCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923300389 630892891 /nfs/dbraw/zinc/89/28/91/630892891.db2.gz HHUJWUFBIUVKAQ-CIUDSAMLSA-N 2 1 172.272 0.179 20 0 ACADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923308499 630892998 /nfs/dbraw/zinc/89/29/98/630892998.db2.gz KOGHTSPMZGDJTG-XKNYDFJKSA-N 2 1 184.283 0.179 20 0 ACADMP CC[N@@H+](CC1CC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923315575 630893086 /nfs/dbraw/zinc/89/30/86/630893086.db2.gz IQPWAZRRNOLUDF-DCAQKATOSA-N 2 1 198.310 0.569 20 0 ACADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H]1C 923314766 630893335 /nfs/dbraw/zinc/89/33/35/630893335.db2.gz LVMJALZYOMRGHX-SSRBZLIGSA-N 2 1 198.310 0.567 20 0 ACADMP CC[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923319047 630893665 /nfs/dbraw/zinc/89/36/65/630893665.db2.gz SSBAWOISSLEWFL-RCWTZXSCSA-N 2 1 198.310 0.569 20 0 ACADMP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2CCO 923330044 630893731 /nfs/dbraw/zinc/89/37/31/630893731.db2.gz VSYDYLDNICRZIX-PBINXNQUSA-N 2 1 184.283 0.323 20 0 ACADMP C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O 923313177 630893815 /nfs/dbraw/zinc/89/38/15/630893815.db2.gz OVSAXLNPHQOOAG-KATARQTJSA-N 2 1 184.283 0.321 20 0 ACADMP C[C@H]1[C@H](C)CC[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O 923314759 630893832 /nfs/dbraw/zinc/89/38/32/630893832.db2.gz LVMJALZYOMRGHX-NMUGVGKYSA-N 2 1 198.310 0.567 20 0 ACADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923308498 630894302 /nfs/dbraw/zinc/89/43/02/630894302.db2.gz KOGHTSPMZGDJTG-KATARQTJSA-N 2 1 184.283 0.179 20 0 ACADMP CCCC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923299958 630894359 /nfs/dbraw/zinc/89/43/59/630894359.db2.gz KFAUPYVRWXMDPC-GUBZILKMSA-N 2 1 186.299 0.569 20 0 ACADMP C[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923300452 630894476 /nfs/dbraw/zinc/89/44/76/630894476.db2.gz SKXHHRRZEXNTKQ-NAKRPEOUSA-N 2 1 198.310 0.569 20 0 ACADMP C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@H]1C 923314764 630894497 /nfs/dbraw/zinc/89/44/97/630894497.db2.gz LVMJALZYOMRGHX-QHZLYTNSSA-N 2 1 198.310 0.567 20 0 ACADMP CC1(C)CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923312783 630894544 /nfs/dbraw/zinc/89/45/44/630894544.db2.gz LNGQDKPKSWEJSH-GUBZILKMSA-N 2 1 198.310 0.569 20 0 ACADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1C 923317105 630894709 /nfs/dbraw/zinc/89/47/09/630894709.db2.gz TTWGJLUEFVHCDJ-SSRBZLIGSA-N 2 1 198.310 0.425 20 0 ACADMP CC[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 923319046 630894754 /nfs/dbraw/zinc/89/47/54/630894754.db2.gz SSBAWOISSLEWFL-NAKRPEOUSA-N 2 1 198.310 0.569 20 0 ACADMP CCC[N@@H+](CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923301548 630894802 /nfs/dbraw/zinc/89/48/02/630894802.db2.gz WCPYNEVUHVQJHV-GUBZILKMSA-N 2 1 186.299 0.569 20 0 ACADMP CC(C)C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923301432 630894812 /nfs/dbraw/zinc/89/48/12/630894812.db2.gz SLFLJFFGLHGTLK-GUBZILKMSA-N 2 1 186.299 0.425 20 0 ACADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)[C@@H]1C 923314767 630895055 /nfs/dbraw/zinc/89/50/55/630895055.db2.gz LVMJALZYOMRGHX-UVOCVTCTSA-N 2 1 198.310 0.567 20 0 ACADMP COC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515999 630900433 /nfs/dbraw/zinc/90/04/33/630900433.db2.gz QEDQFLJTUMWIKX-OUAUKWLOSA-N 2 1 198.310 0.563 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 923398297 630895764 /nfs/dbraw/zinc/89/57/64/630895764.db2.gz KDUZYYFGWPGMPA-GARJFASQSA-N 2 1 198.310 0.571 20 0 ACADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 923398032 630895829 /nfs/dbraw/zinc/89/58/29/630895829.db2.gz IVAWFWXHIOJBHJ-GUBZILKMSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 923398032 630895832 /nfs/dbraw/zinc/89/58/32/630895832.db2.gz IVAWFWXHIOJBHJ-GUBZILKMSA-N 2 1 184.283 0.180 20 0 ACADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H]3C[C@@H]3C2)C1 923395050 630895887 /nfs/dbraw/zinc/89/58/87/630895887.db2.gz PAIDUVUNOKJZBD-UVOCVTCTSA-N 2 1 196.294 0.179 20 0 ACADMP C[N@@H+](CCCF)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923428990 630895971 /nfs/dbraw/zinc/89/59/71/630895971.db2.gz VQBOVBZXKJUXHR-CIUDSAMLSA-N 2 1 190.262 0.128 20 0 ACADMP OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 923363186 630896480 /nfs/dbraw/zinc/89/64/80/630896480.db2.gz WHDVTPLJHRSVIE-WDEREUQCSA-N 2 1 198.310 0.300 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 923369501 630896577 /nfs/dbraw/zinc/89/65/77/630896577.db2.gz JTEMAEXGYMLFHG-UTINFBMNSA-N 2 1 186.299 0.343 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C 923367224 630896608 /nfs/dbraw/zinc/89/66/08/630896608.db2.gz DCIMQBQIJNABCA-SFYZADRCSA-N 2 1 174.288 0.330 20 0 ACADMP C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 923398031 630896755 /nfs/dbraw/zinc/89/67/55/630896755.db2.gz IVAWFWXHIOJBHJ-AEJSXWLSSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 923398031 630896757 /nfs/dbraw/zinc/89/67/57/630896757.db2.gz IVAWFWXHIOJBHJ-AEJSXWLSSA-N 2 1 184.283 0.180 20 0 ACADMP CC[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C 923371288 630897049 /nfs/dbraw/zinc/89/70/49/630897049.db2.gz WYHWSXJKNNTOFY-DTWKUNHWSA-N 2 1 188.315 0.720 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 923369502 630897181 /nfs/dbraw/zinc/89/71/81/630897181.db2.gz JTEMAEXGYMLFHG-XFWSIPNHSA-N 2 1 186.299 0.343 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 923398299 630897214 /nfs/dbraw/zinc/89/72/14/630897214.db2.gz KDUZYYFGWPGMPA-VWYCJHECSA-N 2 1 198.310 0.571 20 0 ACADMP OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 923363185 630897235 /nfs/dbraw/zinc/89/72/35/630897235.db2.gz WHDVTPLJHRSVIE-QWRGUYRKSA-N 2 1 198.310 0.300 20 0 ACADMP C[C@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C 923367223 630897246 /nfs/dbraw/zinc/89/72/46/630897246.db2.gz DCIMQBQIJNABCA-JGVFFNPUSA-N 2 1 174.288 0.330 20 0 ACADMP C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 923398034 630897322 /nfs/dbraw/zinc/89/73/22/630897322.db2.gz IVAWFWXHIOJBHJ-LPEHRKFASA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 923398034 630897326 /nfs/dbraw/zinc/89/73/26/630897326.db2.gz IVAWFWXHIOJBHJ-LPEHRKFASA-N 2 1 184.283 0.180 20 0 ACADMP CC[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C 923371289 630898312 /nfs/dbraw/zinc/89/83/12/630898312.db2.gz WYHWSXJKNNTOFY-IUCAKERBSA-N 2 1 188.315 0.720 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 923369500 630897389 /nfs/dbraw/zinc/89/73/89/630897389.db2.gz JTEMAEXGYMLFHG-AXTSPUMRSA-N 2 1 186.299 0.343 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 923369499 630897865 /nfs/dbraw/zinc/89/78/65/630897865.db2.gz JTEMAEXGYMLFHG-AATLWQCWSA-N 2 1 186.299 0.343 20 0 ACADMP C[C@H]1CC2(CC[NH2+]CC2)C[N@H+]1CCO 923383941 630897894 /nfs/dbraw/zinc/89/78/94/630897894.db2.gz PGXPPRQPEGIFEV-JTQLQIEISA-N 2 1 198.310 0.443 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 923398296 630897939 /nfs/dbraw/zinc/89/79/39/630897939.db2.gz KDUZYYFGWPGMPA-DCAQKATOSA-N 2 1 198.310 0.571 20 0 ACADMP C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 923398033 630897981 /nfs/dbraw/zinc/89/79/81/630897981.db2.gz IVAWFWXHIOJBHJ-IVZWLZJFSA-N 2 1 184.283 0.180 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 923398033 630897984 /nfs/dbraw/zinc/89/79/84/630897984.db2.gz IVAWFWXHIOJBHJ-IVZWLZJFSA-N 2 1 184.283 0.180 20 0 ACADMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H]3C[C@H]3C2)C1 923395046 630898213 /nfs/dbraw/zinc/89/82/13/630898213.db2.gz PAIDUVUNOKJZBD-QHZLYTNSSA-N 2 1 196.294 0.179 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 923398298 630898224 /nfs/dbraw/zinc/89/82/24/630898224.db2.gz KDUZYYFGWPGMPA-OUAUKWLOSA-N 2 1 198.310 0.571 20 0 ACADMP C[C@@H](O)C[NH2+][C@H](C[NH3+])C(C)(C)C 923367222 630898241 /nfs/dbraw/zinc/89/82/41/630898241.db2.gz DCIMQBQIJNABCA-HTQZYQBOSA-N 2 1 174.288 0.330 20 0 ACADMP OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 923363184 630898248 /nfs/dbraw/zinc/89/82/48/630898248.db2.gz WHDVTPLJHRSVIE-MNOVXSKESA-N 2 1 198.310 0.300 20 0 ACADMP OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 923363183 630898522 /nfs/dbraw/zinc/89/85/22/630898522.db2.gz WHDVTPLJHRSVIE-GHMZBOCLSA-N 2 1 198.310 0.300 20 0 ACADMP C[C@H](O)C[NH2+][C@@H](C[NH3+])C(C)(C)C 923367225 630898530 /nfs/dbraw/zinc/89/85/30/630898530.db2.gz DCIMQBQIJNABCA-YUMQZZPRSA-N 2 1 174.288 0.330 20 0 ACADMP C[C@@H]1CC2(CC[NH2+]CC2)C[N@H+]1CCO 923383942 630898577 /nfs/dbraw/zinc/89/85/77/630898577.db2.gz PGXPPRQPEGIFEV-SNVBAGLBSA-N 2 1 198.310 0.443 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@@H](CC[NH3+])C1 923483910 630899045 /nfs/dbraw/zinc/89/90/45/630899045.db2.gz SEXIKCOJBGDQOG-SNVBAGLBSA-N 3 1 185.315 0.267 20 0 ACADMP C[NH2+]CCC[N@H+]1CC[C@H](CC[NH3+])C1 923483909 630899287 /nfs/dbraw/zinc/89/92/87/630899287.db2.gz SEXIKCOJBGDQOG-JTQLQIEISA-N 3 1 185.315 0.267 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 923484146 630899429 /nfs/dbraw/zinc/89/94/29/630899429.db2.gz WOUSVPULVPOBOU-MNOVXSKESA-N 3 1 197.326 0.267 20 0 ACADMP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 923511759 630899489 /nfs/dbraw/zinc/89/94/89/630899489.db2.gz SNSUKAUOWIYBIQ-LMLFDSFASA-N 2 1 198.310 0.690 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@H](CC[NH3+])C1 923484798 630900163 /nfs/dbraw/zinc/90/01/63/630900163.db2.gz NDFHBXUPTHRFNN-VIFPVBQESA-N 3 1 171.288 0.006 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 923484148 630900236 /nfs/dbraw/zinc/90/02/36/630900236.db2.gz WOUSVPULVPOBOU-WDEREUQCSA-N 3 1 197.326 0.267 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 923484145 630900361 /nfs/dbraw/zinc/90/03/61/630900361.db2.gz WOUSVPULVPOBOU-GHMZBOCLSA-N 3 1 197.326 0.267 20 0 ACADMP C[C@@H]1C[N@@H+](C[C@H]2CCO[C@@H]2C)C[C@H]1[NH3+] 923511758 630900612 /nfs/dbraw/zinc/90/06/12/630900612.db2.gz SNSUKAUOWIYBIQ-GWOFURMSSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] 923510343 630900666 /nfs/dbraw/zinc/90/06/66/630900666.db2.gz ZTAWEDGCUJIPAO-GMTAPVOTSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1N 923510343 630900670 /nfs/dbraw/zinc/90/06/70/630900670.db2.gz ZTAWEDGCUJIPAO-GMTAPVOTSA-N 2 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1N 923510343 630900675 /nfs/dbraw/zinc/90/06/75/630900675.db2.gz ZTAWEDGCUJIPAO-GMTAPVOTSA-N 2 1 197.326 0.265 20 0 ACADMP C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H]1[NH3+] 923510343 630900683 /nfs/dbraw/zinc/90/06/83/630900683.db2.gz ZTAWEDGCUJIPAO-GMTAPVOTSA-N 2 1 197.326 0.265 20 0 ACADMP [NH3+]CCC[N@H+]1CC[C@@H](CC[NH3+])C1 923484797 630900707 /nfs/dbraw/zinc/90/07/07/630900707.db2.gz NDFHBXUPTHRFNN-SECBINFHSA-N 3 1 171.288 0.006 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 923484147 630900876 /nfs/dbraw/zinc/90/08/76/630900876.db2.gz WOUSVPULVPOBOU-QWRGUYRKSA-N 3 1 197.326 0.267 20 0 ACADMP C[NH2+]CCC[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923516382 630901059 /nfs/dbraw/zinc/90/10/59/630901059.db2.gz BOASMRHPMPYQDS-WDEREUQCSA-N 3 1 197.326 0.137 20 0 ACADMP C[NH2+]CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923516382 630901064 /nfs/dbraw/zinc/90/10/64/630901064.db2.gz BOASMRHPMPYQDS-WDEREUQCSA-N 3 1 197.326 0.137 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] 923510344 630901269 /nfs/dbraw/zinc/90/12/69/630901269.db2.gz ZTAWEDGCUJIPAO-OUAUKWLOSA-N 3 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1N 923510344 630901274 /nfs/dbraw/zinc/90/12/74/630901274.db2.gz ZTAWEDGCUJIPAO-OUAUKWLOSA-N 2 1 197.326 0.265 20 0 ACADMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1N 923510344 630901280 /nfs/dbraw/zinc/90/12/80/630901280.db2.gz ZTAWEDGCUJIPAO-OUAUKWLOSA-N 2 1 197.326 0.265 20 0 ACADMP C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H]1[NH3+] 923510344 630901286 /nfs/dbraw/zinc/90/12/86/630901286.db2.gz ZTAWEDGCUJIPAO-OUAUKWLOSA-N 2 1 197.326 0.265 20 0 ACADMP CC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515815 630901659 /nfs/dbraw/zinc/90/16/59/630901659.db2.gz NBRLNDNASIRUQO-AXFHLTTASA-N 2 1 198.310 0.299 20 0 ACADMP CNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 848987667 630955228 /nfs/dbraw/zinc/95/52/28/630955228.db2.gz OLVJSOHPGXHRKR-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP C[C@H]1CCC[N@H+]([C@@H](C)CNC(N)=[NH2+])C1 848987435 630955333 /nfs/dbraw/zinc/95/53/33/630955333.db2.gz XFDPJAHGPMOKCQ-IUCAKERBSA-N 2 1 198.314 0.590 20 0 ACADMP C[C@@H]1CCC[N@H+]([C@H](C)CNC(N)=[NH2+])C1 848987436 630955922 /nfs/dbraw/zinc/95/59/22/630955922.db2.gz XFDPJAHGPMOKCQ-RKDXNWHRSA-N 2 1 198.314 0.590 20 0 ACADMP C[C@H]1CCCC[N@@H+]1[C@@H](C)CNC(N)=[NH2+] 848986911 630956123 /nfs/dbraw/zinc/95/61/23/630956123.db2.gz KSXLGWFCVLIBCO-IUCAKERBSA-N 2 1 198.314 0.732 20 0 ACADMP C[C@@H](CNC(=[NH2+])N(C)C)[N@@H+](C)C1CC1 849001717 630956162 /nfs/dbraw/zinc/95/61/62/630956162.db2.gz UISUPMXYMQBZON-QMMMGPOBSA-N 2 1 198.314 0.555 20 0 ACADMP C[C@@H](CNC(N)=[NH2+])[N@H+]1CCC[C@@H](C)C1 848987433 630956425 /nfs/dbraw/zinc/95/64/25/630956425.db2.gz XFDPJAHGPMOKCQ-BDAKNGLRSA-N 2 1 198.314 0.590 20 0 ACADMP Cc1[nH+]ccn1CCCNC(N)=[NH2+] 848986932 630956452 /nfs/dbraw/zinc/95/64/52/630956452.db2.gz ATKJIBAHXIJKDC-UHFFFAOYSA-N 2 1 181.243 0.065 20 0 ACADMP C[C@H]1CCC[N@H+]([C@H](C)CNC(N)=[NH2+])C1 848987434 630956603 /nfs/dbraw/zinc/95/66/03/630956603.db2.gz XFDPJAHGPMOKCQ-DTWKUNHWSA-N 2 1 198.314 0.590 20 0 ACADMP CNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 848987668 630956801 /nfs/dbraw/zinc/95/68/01/630956801.db2.gz OLVJSOHPGXHRKR-VIFPVBQESA-N 2 1 198.314 0.462 20 0 ACADMP C[C@H]1CCCC[N@@H+]1[C@H](C)CNC(N)=[NH2+] 848986910 630956832 /nfs/dbraw/zinc/95/68/32/630956832.db2.gz KSXLGWFCVLIBCO-DTWKUNHWSA-N 2 1 198.314 0.732 20 0 ACADMP C[C@H](CNC(=[NH2+])N(C)C)[N@@H+](C)C1CC1 849001716 630956929 /nfs/dbraw/zinc/95/69/29/630956929.db2.gz UISUPMXYMQBZON-MRVPVSSYSA-N 2 1 198.314 0.555 20 0 ACADMP C[C@@H](CNC(N)=[NH2+])[N@H+]1CCCC[C@H]1C 848986909 630956986 /nfs/dbraw/zinc/95/69/86/630956986.db2.gz KSXLGWFCVLIBCO-BDAKNGLRSA-N 2 1 198.314 0.732 20 0 ACADMP CCNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 849004193 630957980 /nfs/dbraw/zinc/95/79/80/630957980.db2.gz GTUIBKLJNDXHKL-SECBINFHSA-N 2 1 198.314 0.462 20 0 ACADMP CN(C)C(=[NH2+])NCC[N@H+]1CC=CCC1 849024699 630957936 /nfs/dbraw/zinc/95/79/36/630957936.db2.gz RKWITNDJYISDAD-UHFFFAOYSA-N 2 1 196.298 0.334 20 0 ACADMP CN(C)C(=[NH2+])NCC[N@@H+]1CC=CCC1 849024699 630957942 /nfs/dbraw/zinc/95/79/42/630957942.db2.gz RKWITNDJYISDAD-UHFFFAOYSA-N 2 1 196.298 0.334 20 0 ACADMP CNC(=[NH2+])NCC[N@H+]1CC[C@@H](C)C1 849004226 630958650 /nfs/dbraw/zinc/95/86/50/630958650.db2.gz JAKMQDFGQIQJPI-MRVPVSSYSA-N 2 1 184.287 0.072 20 0 ACADMP C[C@@H]1CC[N@@H+](CCNC(=[NH2+])N(C)C)C1 849004329 630958790 /nfs/dbraw/zinc/95/87/90/630958790.db2.gz MVTLQMHKCMZVPV-SECBINFHSA-N 2 1 198.314 0.414 20 0 ACADMP C[C@H]1CC[N@@H+](CCNC(=[NH2+])N(C)C)C1 849004330 630958932 /nfs/dbraw/zinc/95/89/32/630958932.db2.gz MVTLQMHKCMZVPV-VIFPVBQESA-N 2 1 198.314 0.414 20 0 ACADMP CNC(=[NH2+])NCC[N@H+]1CC[C@H](C)C1 849004227 630959365 /nfs/dbraw/zinc/95/93/65/630959365.db2.gz JAKMQDFGQIQJPI-QMMMGPOBSA-N 2 1 184.287 0.072 20 0 ACADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC 849028058 630962471 /nfs/dbraw/zinc/96/24/71/630962471.db2.gz ZZHXODCROBSRHH-VIFPVBQESA-N 2 1 198.314 0.605 20 0 ACADMP C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 873248894 631007514 /nfs/dbraw/zinc/00/75/14/631007514.db2.gz GMQBJXXQANQFAV-ZNSHCXBVSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 873248893 631007811 /nfs/dbraw/zinc/00/78/11/631007811.db2.gz GMQBJXXQANQFAV-UKKRHICBSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873249114 631007977 /nfs/dbraw/zinc/00/79/77/631007977.db2.gz ITTRUBUSMJTNIN-UKKRHICBSA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873249113 631008236 /nfs/dbraw/zinc/00/82/36/631008236.db2.gz ITTRUBUSMJTNIN-MMWGEVLESA-N 3 1 197.326 0.311 20 0 ACADMP C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[NH2+]1 873248892 631008517 /nfs/dbraw/zinc/00/85/17/631008517.db2.gz GMQBJXXQANQFAV-MMWGEVLESA-N 2 1 197.326 0.454 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873249112 631008665 /nfs/dbraw/zinc/00/86/65/631008665.db2.gz ITTRUBUSMJTNIN-CHWFTXMASA-N 3 1 197.326 0.311 20 0 ACADMP C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[NH2+]1 873248891 631008828 /nfs/dbraw/zinc/00/88/28/631008828.db2.gz GMQBJXXQANQFAV-CHWFTXMASA-N 2 1 197.326 0.454 20 0 ACADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 873249115 631009156 /nfs/dbraw/zinc/00/91/56/631009156.db2.gz ITTRUBUSMJTNIN-ZNSHCXBVSA-N 3 1 197.326 0.311 20 0 ACADMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NC 221246365 631018179 /nfs/dbraw/zinc/01/81/79/631018179.db2.gz QBXFJEOZFDVOQI-QMMMGPOBSA-N 2 1 186.303 0.460 20 0 ACADMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NC 221246313 631019496 /nfs/dbraw/zinc/01/94/96/631019496.db2.gz QBXFJEOZFDVOQI-MRVPVSSYSA-N 2 1 186.303 0.460 20 0 ACADMP CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 221247056 631020071 /nfs/dbraw/zinc/02/00/71/631020071.db2.gz PCOQTIYUSPMHSA-ZETCQYMHSA-N 2 1 184.287 0.213 20 0 ACADMP CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 221246997 631020233 /nfs/dbraw/zinc/02/02/33/631020233.db2.gz PCOQTIYUSPMHSA-SSDOTTSWSA-N 2 1 184.287 0.213 20 0 ACADMP C[C@@H](CNC(=[NH2+])NCC1CC1)[NH+](C)C 887351621 631022870 /nfs/dbraw/zinc/02/28/70/631022870.db2.gz VSDQYYZYTGYUJS-QMMMGPOBSA-N 2 1 198.314 0.460 20 0 ACADMP [NH2+]=C(NCC[NH+]1CCC1)NCC1CC1 887356995 631023058 /nfs/dbraw/zinc/02/30/58/631023058.db2.gz YYUXDIHZHVSPDT-UHFFFAOYSA-N 2 1 196.298 0.216 20 0 ACADMP C[C@H](CNC(=[NH2+])NCC1CC1)[NH+](C)C 887351620 631023474 /nfs/dbraw/zinc/02/34/74/631023474.db2.gz VSDQYYZYTGYUJS-MRVPVSSYSA-N 2 1 198.314 0.460 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCO1 925502412 631040121 /nfs/dbraw/zinc/04/01/21/631040121.db2.gz LCLMCGFYWYKQHJ-ZJUUUORDSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@@H]1CC[C@H]([NH2+]CC[NH3+])C1 80457017 524701714 /nfs/dbraw/zinc/70/17/14/524701714.db2.gz VSMNWNHXNIBYEH-SFYZADRCSA-N 2 1 142.246 0.723 20 0 ACADMP C[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C 925610941 631043350 /nfs/dbraw/zinc/04/33/50/631043350.db2.gz JOCVEUHVQBRHTA-SFYZADRCSA-N 2 1 172.272 0.097 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CO)CC1 925528617 631043650 /nfs/dbraw/zinc/04/36/50/631043650.db2.gz GJAMJXWYZPGKKT-SECBINFHSA-N 2 1 198.310 0.489 20 0 ACADMP C[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925610938 631043729 /nfs/dbraw/zinc/04/37/29/631043729.db2.gz JOCVEUHVQBRHTA-HTQZYQBOSA-N 2 1 172.272 0.097 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCO1 925502410 631043920 /nfs/dbraw/zinc/04/39/20/631043920.db2.gz LCLMCGFYWYKQHJ-VHSXEESVSA-N 2 1 198.310 0.896 20 0 ACADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 925489659 631044028 /nfs/dbraw/zinc/04/40/28/631044028.db2.gz ZVIFTJSCNYNBNV-VHSXEESVSA-N 2 1 197.326 0.421 20 0 ACADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 925489642 631044229 /nfs/dbraw/zinc/04/42/29/631044229.db2.gz ZVIFTJSCNYNBNV-NXEZZACHSA-N 2 1 197.326 0.421 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CO)CC1 925528618 631044262 /nfs/dbraw/zinc/04/42/62/631044262.db2.gz GJAMJXWYZPGKKT-VIFPVBQESA-N 2 1 198.310 0.489 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCO1 925502401 631044275 /nfs/dbraw/zinc/04/42/75/631044275.db2.gz LCLMCGFYWYKQHJ-NXEZZACHSA-N 2 1 198.310 0.896 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(O)CCC1 925609069 631044346 /nfs/dbraw/zinc/04/43/46/631044346.db2.gz OJRHXXGXJGOGAS-SECBINFHSA-N 2 1 198.310 0.632 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(O)CCC1 925609070 631044574 /nfs/dbraw/zinc/04/45/74/631044574.db2.gz OJRHXXGXJGOGAS-VIFPVBQESA-N 2 1 198.310 0.632 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CC1 925493346 631044888 /nfs/dbraw/zinc/04/48/88/631044888.db2.gz KORLVPUSWWAZPA-QMMMGPOBSA-N 2 1 154.257 0.879 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CC1 925493194 631045045 /nfs/dbraw/zinc/04/50/45/631045045.db2.gz KORLVPUSWWAZPA-MRVPVSSYSA-N 2 1 154.257 0.879 20 0 ACADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 925489660 631045381 /nfs/dbraw/zinc/04/53/81/631045381.db2.gz ZVIFTJSCNYNBNV-ZJUUUORDSA-N 2 1 197.326 0.421 20 0 ACADMP C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925610939 631045436 /nfs/dbraw/zinc/04/54/36/631045436.db2.gz JOCVEUHVQBRHTA-JGVFFNPUSA-N 2 1 172.272 0.097 20 0 ACADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 925489655 631045474 /nfs/dbraw/zinc/04/54/74/631045474.db2.gz ZVIFTJSCNYNBNV-UWVGGRQHSA-N 2 1 197.326 0.421 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCO1 925502405 631045527 /nfs/dbraw/zinc/04/55/27/631045527.db2.gz LCLMCGFYWYKQHJ-UWVGGRQHSA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C 925645895 631046079 /nfs/dbraw/zinc/04/60/79/631046079.db2.gz RPVQZBDKPSVANC-BDAKNGLRSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@H](CCO)[NH2+][C@@H]1CC[NH2+]C1(C)C 925612447 631046252 /nfs/dbraw/zinc/04/62/52/631046252.db2.gz RZZPFOPIJWIDMX-RKDXNWHRSA-N 2 1 186.299 0.487 20 0 ACADMP CO[C@@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925645898 631046450 /nfs/dbraw/zinc/04/64/50/631046450.db2.gz RPVQZBDKPSVANC-DTWKUNHWSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C 925610942 631046559 /nfs/dbraw/zinc/04/65/59/631046559.db2.gz JOCVEUHVQBRHTA-YUMQZZPRSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](CO)[NH2+][C@@H]1CC[NH2+]C1(C)C 925611449 631046601 /nfs/dbraw/zinc/04/66/01/631046601.db2.gz CRZFKPORTLPFOC-HTQZYQBOSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCOC1 925669452 631046659 /nfs/dbraw/zinc/04/66/59/631046659.db2.gz UDOVTEHBZXWANT-OUAUKWLOSA-N 2 1 198.310 0.896 20 0 ACADMP C[C@H](CO)[NH2+][C@H]1CC[NH2+]C1(C)C 925611450 631046821 /nfs/dbraw/zinc/04/68/21/631046821.db2.gz CRZFKPORTLPFOC-SFYZADRCSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@@H](CO)[NH2+][C@H]1CC[NH2+]C1(C)C 925613418 631046863 /nfs/dbraw/zinc/04/68/63/631046863.db2.gz CRZFKPORTLPFOC-YUMQZZPRSA-N 2 1 172.272 0.097 20 0 ACADMP C[C@H](CCO)[NH2+][C@H]1CC[NH2+]C1(C)C 925612444 631046961 /nfs/dbraw/zinc/04/69/61/631046961.db2.gz RZZPFOPIJWIDMX-BDAKNGLRSA-N 2 1 186.299 0.487 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCO 925656625 631047251 /nfs/dbraw/zinc/04/72/51/631047251.db2.gz KFPKWDCBLSEYQX-SECBINFHSA-N 2 1 186.299 0.489 20 0 ACADMP C[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C1(C)C 925613417 631047570 /nfs/dbraw/zinc/04/75/70/631047570.db2.gz CRZFKPORTLPFOC-JGVFFNPUSA-N 2 1 172.272 0.097 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCO 925656627 631047688 /nfs/dbraw/zinc/04/76/88/631047688.db2.gz KFPKWDCBLSEYQX-VIFPVBQESA-N 2 1 186.299 0.489 20 0 ACADMP CO[C@@H](C)C[NH2+][C@H]1CC[NH2+]C1(C)C 925645900 631047789 /nfs/dbraw/zinc/04/77/89/631047789.db2.gz RPVQZBDKPSVANC-IUCAKERBSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@@H](CCO)[NH2+][C@H]1CC[NH2+]C1(C)C 925612446 631047849 /nfs/dbraw/zinc/04/78/49/631047849.db2.gz RZZPFOPIJWIDMX-IUCAKERBSA-N 2 1 186.299 0.487 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCOC1 925669450 631048120 /nfs/dbraw/zinc/04/81/20/631048120.db2.gz UDOVTEHBZXWANT-GMTAPVOTSA-N 2 1 198.310 0.896 20 0 ACADMP CO[C@H](C)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925645903 631048495 /nfs/dbraw/zinc/04/84/95/631048495.db2.gz RPVQZBDKPSVANC-RKDXNWHRSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@@H](CCO)[NH2+][C@@H]1CC[NH2+]C1(C)C 925612445 631048591 /nfs/dbraw/zinc/04/85/91/631048591.db2.gz RZZPFOPIJWIDMX-DTWKUNHWSA-N 2 1 186.299 0.487 20 0 ACADMP CO[C@@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 925711757 631049249 /nfs/dbraw/zinc/04/92/49/631049249.db2.gz OFTSKYZYZLHOMT-LPEHRKFASA-N 2 1 186.299 0.751 20 0 ACADMP C[C@@H](CCC[NH3+])N[C@H]1CC[NH2+]C1(C)C 925702562 631049632 /nfs/dbraw/zinc/04/96/32/631049632.db2.gz BQLRBZGZOPJLQH-UWVGGRQHSA-N 2 1 199.342 0.844 20 0 ACADMP CO[C@@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C 925711754 631049720 /nfs/dbraw/zinc/04/97/20/631049720.db2.gz OFTSKYZYZLHOMT-GUBZILKMSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@H](CCC[NH3+])N[C@@H]1CC[NH2+]C1(C)C 925702561 631050210 /nfs/dbraw/zinc/05/02/10/631050210.db2.gz BQLRBZGZOPJLQH-NXEZZACHSA-N 2 1 199.342 0.844 20 0 ACADMP C[C@@H](CCC[NH3+])N[C@@H]1CC[NH2+]C1(C)C 925702563 631050344 /nfs/dbraw/zinc/05/03/44/631050344.db2.gz BQLRBZGZOPJLQH-VHSXEESVSA-N 2 1 199.342 0.844 20 0 ACADMP C[C@H](CCC[NH3+])N[C@H]1CC[NH2+]C1(C)C 925702564 631050593 /nfs/dbraw/zinc/05/05/93/631050593.db2.gz BQLRBZGZOPJLQH-ZJUUUORDSA-N 2 1 199.342 0.844 20 0 ACADMP CC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925707446 631050682 /nfs/dbraw/zinc/05/06/82/631050682.db2.gz JXGHXFMPOGTBKB-RKDXNWHRSA-N 2 1 186.299 0.487 20 0 ACADMP CO[C@@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 925711752 631050877 /nfs/dbraw/zinc/05/08/77/631050877.db2.gz OFTSKYZYZLHOMT-AEJSXWLSSA-N 2 1 186.299 0.751 20 0 ACADMP CO[C@@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 925711755 631051278 /nfs/dbraw/zinc/05/12/78/631051278.db2.gz OFTSKYZYZLHOMT-IVZWLZJFSA-N 2 1 186.299 0.751 20 0 ACADMP CC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C 925707445 631051318 /nfs/dbraw/zinc/05/13/18/631051318.db2.gz JXGHXFMPOGTBKB-BDAKNGLRSA-N 2 1 186.299 0.487 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@H]1C[NH3+] 925737747 631051727 /nfs/dbraw/zinc/05/17/27/631051727.db2.gz KQDBCTBKONALAS-UWVGGRQHSA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 925782417 631051837 /nfs/dbraw/zinc/05/18/37/631051837.db2.gz GGSWXTIJHSVLDQ-LMLFDSFASA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])C1C[NH2+]C1 925737345 631051924 /nfs/dbraw/zinc/05/19/24/631051924.db2.gz MVYJESDDZPZFDE-MRVPVSSYSA-N 3 1 185.315 0.311 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[C@H]([NH3+])C1 925725883 631052119 /nfs/dbraw/zinc/05/21/19/631052119.db2.gz DAPFFWLYKCTBRL-OPRDCNLKSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 925727273 631052176 /nfs/dbraw/zinc/05/21/76/631052176.db2.gz ODXIXVCZJFWSFO-ZNSHCXBVSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727267 631052568 /nfs/dbraw/zinc/05/25/68/631052568.db2.gz ODXIXVCZJFWSFO-GWOFURMSSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]CCC(C)(C)[NH3+] 925737190 631052684 /nfs/dbraw/zinc/05/26/84/631052684.db2.gz HAPUBKRSMCNGPF-BDAKNGLRSA-N 3 1 187.331 0.829 20 0 ACADMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC(C)(C)[NH3+] 925737194 631052751 /nfs/dbraw/zinc/05/27/51/631052751.db2.gz HAPUBKRSMCNGPF-IUCAKERBSA-N 3 1 187.331 0.829 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727269 631052810 /nfs/dbraw/zinc/05/28/10/631052810.db2.gz ODXIXVCZJFWSFO-NAKRPEOUSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])C1C[NH2+]C1 925737346 631052815 /nfs/dbraw/zinc/05/28/15/631052815.db2.gz MVYJESDDZPZFDE-QMMMGPOBSA-N 3 1 185.315 0.311 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)[C@@H]1CCCO1 925782414 631052892 /nfs/dbraw/zinc/05/28/92/631052892.db2.gz GGSWXTIJHSVLDQ-DBIOUOCHSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 925727270 631053088 /nfs/dbraw/zinc/05/30/88/631053088.db2.gz ODXIXVCZJFWSFO-UKKRHICBSA-N 3 1 197.326 0.454 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[C@@H]([NH3+])C1 925725880 631053143 /nfs/dbraw/zinc/05/31/43/631053143.db2.gz DAPFFWLYKCTBRL-AEJSXWLSSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 925727264 631053586 /nfs/dbraw/zinc/05/35/86/631053586.db2.gz ODXIXVCZJFWSFO-CHWFTXMASA-N 3 1 197.326 0.454 20 0 ACADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 925737193 631053627 /nfs/dbraw/zinc/05/36/27/631053627.db2.gz HAPUBKRSMCNGPF-DTWKUNHWSA-N 3 1 187.331 0.829 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@H]1CCC[C@@H]1C[NH3+] 925737749 631053744 /nfs/dbraw/zinc/05/37/44/631053744.db2.gz KQDBCTBKONALAS-ZJUUUORDSA-N 3 1 199.342 0.831 20 0 ACADMP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[C@@H]([NH3+])C1 925725882 631054239 /nfs/dbraw/zinc/05/42/39/631054239.db2.gz DAPFFWLYKCTBRL-KXUCPTDWSA-N 2 1 197.326 0.454 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] 925737746 631054348 /nfs/dbraw/zinc/05/43/48/631054348.db2.gz KQDBCTBKONALAS-NXEZZACHSA-N 3 1 199.342 0.831 20 0 ACADMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](C)[C@H]1CCCO1 925782416 631054439 /nfs/dbraw/zinc/05/44/39/631054439.db2.gz GGSWXTIJHSVLDQ-GWOFURMSSA-N 2 1 198.310 0.751 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727265 631054557 /nfs/dbraw/zinc/05/45/57/631054557.db2.gz ODXIXVCZJFWSFO-DBIOUOCHSA-N 3 1 197.326 0.454 20 0 ACADMP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]1C[NH3+] 925737748 631054662 /nfs/dbraw/zinc/05/46/62/631054662.db2.gz KQDBCTBKONALAS-VHSXEESVSA-N 3 1 199.342 0.831 20 0 ACADMP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 925782420 631054631 /nfs/dbraw/zinc/05/46/31/631054631.db2.gz GGSWXTIJHSVLDQ-YTWAJWBKSA-N 2 1 198.310 0.751 20 0 ACADMP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[C@H]([NH3+])C1 925725881 631054875 /nfs/dbraw/zinc/05/48/75/631054875.db2.gz DAPFFWLYKCTBRL-GUBZILKMSA-N 2 1 197.326 0.454 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H]([NH3+])C1 925727271 631054932 /nfs/dbraw/zinc/05/49/32/631054932.db2.gz ODXIXVCZJFWSFO-XWLWVQCSSA-N 3 1 197.326 0.454 20 0 ACADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC(C)(C)[NH3+] 925737195 631055074 /nfs/dbraw/zinc/05/50/74/631055074.db2.gz HAPUBKRSMCNGPF-RKDXNWHRSA-N 3 1 187.331 0.829 20 0 ACADMP CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 931433896 631123768 /nfs/dbraw/zinc/12/37/68/631123768.db2.gz KPSHYIHOCIFWKM-VHSXEESVSA-N 2 1 168.284 0.890 20 0 ACADMP CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 931433896 631123769 /nfs/dbraw/zinc/12/37/69/631123769.db2.gz KPSHYIHOCIFWKM-VHSXEESVSA-N 2 1 168.284 0.890 20 0 ACADMP CCC[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931276828 631121630 /nfs/dbraw/zinc/12/16/30/631121630.db2.gz IPBOKHVXUSJFAO-MYJAWHEDSA-N 2 1 168.284 0.888 20 0 ACADMP CCC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931276828 631121633 /nfs/dbraw/zinc/12/16/33/631121633.db2.gz IPBOKHVXUSJFAO-MYJAWHEDSA-N 2 1 168.284 0.888 20 0 ACADMP CC(C)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931282561 631121584 /nfs/dbraw/zinc/12/15/84/631121584.db2.gz UWFGMBPMRAKHGK-MYJAWHEDSA-N 2 1 168.284 0.887 20 0 ACADMP CC(C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931282561 631121585 /nfs/dbraw/zinc/12/15/85/631121585.db2.gz UWFGMBPMRAKHGK-MYJAWHEDSA-N 2 1 168.284 0.887 20 0 ACADMP CO[C@H](C)CN1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278869 631123001 /nfs/dbraw/zinc/12/30/01/631123001.db2.gz PVFWOXIYEYJYJD-ZNSHCXBVSA-N 2 1 198.310 0.513 20 0 ACADMP CO[C@@H](C)CN1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278868 631122262 /nfs/dbraw/zinc/12/22/62/631122262.db2.gz PVFWOXIYEYJYJD-UKKRHICBSA-N 2 1 198.310 0.513 20 0 ACADMP CN(C)[C@H]1[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 931279587 631122297 /nfs/dbraw/zinc/12/22/97/631122297.db2.gz LPSJWTDZMBAYOK-URLYPYJESA-N 2 1 180.295 0.888 20 0 ACADMP C[NH+](C)[C@H]1[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 931279587 631122298 /nfs/dbraw/zinc/12/22/98/631122298.db2.gz LPSJWTDZMBAYOK-URLYPYJESA-N 2 1 180.295 0.888 20 0 ACADMP C[NH+](C)[C@H]1[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 931279587 631122300 /nfs/dbraw/zinc/12/23/00/631122300.db2.gz LPSJWTDZMBAYOK-URLYPYJESA-N 2 1 180.295 0.888 20 0 ACADMP COCC[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931279047 631122388 /nfs/dbraw/zinc/12/23/88/631122388.db2.gz WJLLQOQTIQPPAI-MYJAWHEDSA-N 2 1 184.283 0.125 20 0 ACADMP CC[C@@H](CO)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278511 631122854 /nfs/dbraw/zinc/12/28/54/631122854.db2.gz ZCYRHIVRVOHZHK-UKKRHICBSA-N 2 1 198.310 0.249 20 0 ACADMP CC[C@@H](CO)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278511 631122856 /nfs/dbraw/zinc/12/28/56/631122856.db2.gz ZCYRHIVRVOHZHK-UKKRHICBSA-N 2 1 198.310 0.249 20 0 ACADMP CC[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931280521 631123187 /nfs/dbraw/zinc/12/31/87/631123187.db2.gz ZLRXIUZBZVLGKO-BRPSZJMVSA-N 2 1 154.257 0.498 20 0 ACADMP CC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280521 631123190 /nfs/dbraw/zinc/12/31/90/631123190.db2.gz ZLRXIUZBZVLGKO-BRPSZJMVSA-N 2 1 154.257 0.498 20 0 ACADMP CC[C@H](CO)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278512 631123205 /nfs/dbraw/zinc/12/32/05/631123205.db2.gz ZCYRHIVRVOHZHK-ZNSHCXBVSA-N 2 1 198.310 0.249 20 0 ACADMP CC[C@H](CO)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278512 631123209 /nfs/dbraw/zinc/12/32/09/631123209.db2.gz ZCYRHIVRVOHZHK-ZNSHCXBVSA-N 2 1 198.310 0.249 20 0 ACADMP CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931433896 631123765 /nfs/dbraw/zinc/12/37/65/631123765.db2.gz KPSHYIHOCIFWKM-VHSXEESVSA-N 2 1 168.284 0.890 20 0 ACADMP COCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931430395 631124342 /nfs/dbraw/zinc/12/43/42/631124342.db2.gz OVYXKFZXWHAPFB-WDEREUQCSA-N 2 1 198.310 0.516 20 0 ACADMP COCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 931430395 631124343 /nfs/dbraw/zinc/12/43/43/631124343.db2.gz OVYXKFZXWHAPFB-WDEREUQCSA-N 2 1 198.310 0.516 20 0 ACADMP COCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 931430395 631124344 /nfs/dbraw/zinc/12/43/44/631124344.db2.gz OVYXKFZXWHAPFB-WDEREUQCSA-N 2 1 198.310 0.516 20 0 ACADMP CC[C@H](CO)[NH2+]CCc1c[nH+]cn1C 931771840 631129008 /nfs/dbraw/zinc/12/90/08/631129008.db2.gz GWEPRQDNZFCZMG-SECBINFHSA-N 2 1 197.282 0.323 20 0 ACADMP CC[C@@H](CO)[NH2+]CCc1c[nH+]cn1C 931771841 631129458 /nfs/dbraw/zinc/12/94/58/631129458.db2.gz GWEPRQDNZFCZMG-VIFPVBQESA-N 2 1 197.282 0.323 20 0 ACADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]1CO 934017191 631143099 /nfs/dbraw/zinc/14/30/99/631143099.db2.gz FRFMERCPRMGIFW-SNVBAGLBSA-N 2 1 195.266 0.258 20 0 ACADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]1CO 934017191 631143101 /nfs/dbraw/zinc/14/31/01/631143101.db2.gz FRFMERCPRMGIFW-SNVBAGLBSA-N 2 1 195.266 0.258 20 0 ACADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]1CO 934017189 631143688 /nfs/dbraw/zinc/14/36/88/631143688.db2.gz FRFMERCPRMGIFW-JTQLQIEISA-N 2 1 195.266 0.258 20 0 ACADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]1CO 934017189 631143690 /nfs/dbraw/zinc/14/36/90/631143690.db2.gz FRFMERCPRMGIFW-JTQLQIEISA-N 2 1 195.266 0.258 20 0 ACADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)O)C1 40601579 631153543 /nfs/dbraw/zinc/15/35/43/631153543.db2.gz YQDWMMXSWMNKJO-VHSXEESVSA-N 2 1 186.299 0.299 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251121429 631162398 /nfs/dbraw/zinc/16/23/98/631162398.db2.gz WIWGCTXZOBQXRZ-KXUCPTDWSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@H]([NH3+])C[N@H+](C)CC[C@H]1CCCO1 251120304 631162545 /nfs/dbraw/zinc/16/25/45/631162545.db2.gz QXBPUGPLSFHHQK-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@H]([NH3+])C[N@@H+](C)CC[C@H]1CCCO1 251120304 631162546 /nfs/dbraw/zinc/16/25/46/631162546.db2.gz QXBPUGPLSFHHQK-VHSXEESVSA-N 2 1 186.299 0.835 20 0 ACADMP C[N@@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 250640095 631162599 /nfs/dbraw/zinc/16/25/99/631162599.db2.gz SXBVRPLPEAZPCY-DCAQKATOSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 250640095 631162601 /nfs/dbraw/zinc/16/26/01/631162601.db2.gz SXBVRPLPEAZPCY-DCAQKATOSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 250640098 631162681 /nfs/dbraw/zinc/16/26/81/631162681.db2.gz SXBVRPLPEAZPCY-VWYCJHECSA-N 2 1 197.326 0.550 20 0 ACADMP C[N@H+]1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 250640098 631162682 /nfs/dbraw/zinc/16/26/82/631162682.db2.gz SXBVRPLPEAZPCY-VWYCJHECSA-N 2 1 197.326 0.550 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251121428 631162849 /nfs/dbraw/zinc/16/28/49/631162849.db2.gz WIWGCTXZOBQXRZ-GUBZILKMSA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H]([NH3+])C[N@H+](C)CC[C@H]1CCCO1 251120301 631163092 /nfs/dbraw/zinc/16/30/92/631163092.db2.gz QXBPUGPLSFHHQK-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@H]1CCCO1 251120301 631163094 /nfs/dbraw/zinc/16/30/94/631163094.db2.gz QXBPUGPLSFHHQK-NXEZZACHSA-N 2 1 186.299 0.835 20 0 ACADMP CC[C@@H]1C[N@@H+](C[C@H](C)O)CC[C@H]1[NH3+] 251703403 631164294 /nfs/dbraw/zinc/16/42/94/631164294.db2.gz JBVZMUWQLMOLHD-IVZWLZJFSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@@H]1C[N@@H+](C[C@@H](C)O)CC[C@H]1[NH3+] 251703407 631164633 /nfs/dbraw/zinc/16/46/33/631164633.db2.gz JBVZMUWQLMOLHD-OPRDCNLKSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H]1C[N@@H+](CCO)CC[C@H]1[NH3+] 251864184 631165125 /nfs/dbraw/zinc/16/51/25/631165125.db2.gz TWODBXYCJDKZRR-DTWKUNHWSA-N 2 1 172.272 0.038 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252787305 631165951 /nfs/dbraw/zinc/16/59/51/631165951.db2.gz QIRBMTISRPNQJC-GUBZILKMSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 252686143 631166086 /nfs/dbraw/zinc/16/60/86/631166086.db2.gz JDLVFFBURWEGMT-UTLUCORTSA-N 2 1 186.299 0.569 20 0 ACADMP CC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C 252687512 631166334 /nfs/dbraw/zinc/16/63/34/631166334.db2.gz LNAPIHKCBMRHBL-UWVGGRQHSA-N 2 1 186.299 0.441 20 0 ACADMP CC[C@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C 252687512 631166335 /nfs/dbraw/zinc/16/63/35/631166335.db2.gz LNAPIHKCBMRHBL-UWVGGRQHSA-N 2 1 186.299 0.441 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252858244 631166350 /nfs/dbraw/zinc/16/63/50/631166350.db2.gz LUGDYCIQGGZJBB-XWLWVQCSSA-N 2 1 198.310 0.426 20 0 ACADMP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252858243 631166488 /nfs/dbraw/zinc/16/64/88/631166488.db2.gz LUGDYCIQGGZJBB-NAKRPEOUSA-N 2 1 198.310 0.426 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252787304 631166510 /nfs/dbraw/zinc/16/65/10/631166510.db2.gz QIRBMTISRPNQJC-AEJSXWLSSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 253169488 631166563 /nfs/dbraw/zinc/16/65/63/631166563.db2.gz CUEJNNDPDYCKMR-VHSXEESVSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 253169488 631166565 /nfs/dbraw/zinc/16/65/65/631166565.db2.gz CUEJNNDPDYCKMR-VHSXEESVSA-N 2 1 186.299 0.426 20 0 ACADMP CC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 252686142 631166661 /nfs/dbraw/zinc/16/66/61/631166661.db2.gz JDLVFFBURWEGMT-BBBLOLIVSA-N 2 1 186.299 0.569 20 0 ACADMP C[NH+]1CCC(C[N@H+]2CC[C@H](O)C2)CC1 98188657 631167069 /nfs/dbraw/zinc/16/70/69/631167069.db2.gz VLBZZJCYNVOUKP-NSHDSACASA-N 2 1 198.310 0.395 20 0 ACADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 253361035 631167249 /nfs/dbraw/zinc/16/72/49/631167249.db2.gz BRQUGSOUPHZBEL-GHMZBOCLSA-N 2 1 198.310 0.694 20 0 ACADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 253361036 631167324 /nfs/dbraw/zinc/16/73/24/631167324.db2.gz BRQUGSOUPHZBEL-WDEREUQCSA-N 2 1 198.310 0.694 20 0 ACADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 160596800 1224191689 /nfs/dbraw/zinc/19/16/89/1224191689.db2.gz XJWBDAMQSDJBCX-AXTSPUMRSA-N 2 1 186.299 0.425 20 0 ACADMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 227484812 1224228197 /nfs/dbraw/zinc/22/81/97/1224228197.db2.gz OLFWYAXGDDGEHF-AEJSXWLSSA-N 2 1 186.299 0.297 20 0 ACADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](C)O 232692902 1224235094 /nfs/dbraw/zinc/23/50/94/1224235094.db2.gz IDYARNCCKNNMEK-UWVGGRQHSA-N 2 1 188.315 0.672 20 0 ACADMP CC(C)[C@H](CO)[NH2+]C[C@H]1CCC[NH2+]1 232759162 1224235167 /nfs/dbraw/zinc/23/51/67/1224235167.db2.gz SSAONAKTAPJVIV-ZJUUUORDSA-N 2 1 186.299 0.345 20 0 ACADMP C[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H]1O 252683679 1224240272 /nfs/dbraw/zinc/24/02/72/1224240272.db2.gz FCXXARPVFLCFJL-RKDXNWHRSA-N 2 1 172.272 0.180 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306278507 1224250164 /nfs/dbraw/zinc/25/01/64/1224250164.db2.gz QMEYFBUIWWLDPK-OUAUKWLOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306278755 1224250309 /nfs/dbraw/zinc/25/03/09/1224250309.db2.gz QMEYFBUIWWLDPK-VWYCJHECSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306278506 1224251218 /nfs/dbraw/zinc/25/12/18/1224251218.db2.gz QMEYFBUIWWLDPK-GARJFASQSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH3+])CN1C[C@H]2CC[N@@H+](C)C[C@H]2C1 306284886 1224251327 /nfs/dbraw/zinc/25/13/27/1224251327.db2.gz SREBOIMVEDUKGB-MXWKQRLJSA-N 2 1 197.326 0.217 20 0 ACADMP C[C@H](O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306278505 1224251587 /nfs/dbraw/zinc/25/15/87/1224251587.db2.gz QMEYFBUIWWLDPK-DCAQKATOSA-N 2 1 198.310 0.441 20 0 ACADMP C[C@@H]([NH3+])C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 306523821 1224263266 /nfs/dbraw/zinc/26/32/66/1224263266.db2.gz VIARNPIHPPGDDF-KXUCPTDWSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@@H]([NH3+])C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 306523821 1224263271 /nfs/dbraw/zinc/26/32/71/1224263271.db2.gz VIARNPIHPPGDDF-KXUCPTDWSA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 306666617 1224271286 /nfs/dbraw/zinc/27/12/86/1224271286.db2.gz VIARNPIHPPGDDF-LPEHRKFASA-N 2 1 198.310 0.690 20 0 ACADMP C[C@H]([NH3+])C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 306666617 1224271291 /nfs/dbraw/zinc/27/12/91/1224271291.db2.gz VIARNPIHPPGDDF-LPEHRKFASA-N 2 1 198.310 0.690 20 0 ACADMP CC(C)(C[NH3+])C[NH2+]Cc1cnccn1 379485254 1224316525 /nfs/dbraw/zinc/31/65/25/1224316525.db2.gz ANJLEVSWPSYZSG-UHFFFAOYSA-N 2 1 194.282 0.551 20 0 ACADMP C[C@H](C[NH3+])[NH2+]CC1=CCCOC1 379736831 1224316963 /nfs/dbraw/zinc/31/69/63/1224316963.db2.gz PHZYHVUZXIIDMW-MRVPVSSYSA-N 2 1 170.256 0.270 20 0 ACADMP C[C@@H](C[NH3+])[NH2+]CC1=CCCOC1 379736832 1224317242 /nfs/dbraw/zinc/31/72/42/1224317242.db2.gz PHZYHVUZXIIDMW-QMMMGPOBSA-N 2 1 170.256 0.270 20 0 ACADMP CC[NH2+]Cc1nc(C[C@@H](C)[NH2+]C)no1 380227631 1224318711 /nfs/dbraw/zinc/31/87/11/1224318711.db2.gz KOQYGAMTMMOJTF-SSDOTTSWSA-N 2 1 198.270 0.330 20 0 ACADMP CC[NH2+]Cc1nc(C[C@H](C)[NH2+]C)no1 380227632 1224318943 /nfs/dbraw/zinc/31/89/43/1224318943.db2.gz KOQYGAMTMMOJTF-ZETCQYMHSA-N 2 1 198.270 0.330 20 0 ACADMP CC[C@H]([NH3+])c1nc(C[C@@H](C)[NH2+]C)no1 380215907 1224318972 /nfs/dbraw/zinc/31/89/72/1224318972.db2.gz IEMSROXAKIXWTN-RQJHMYQMSA-N 2 1 198.270 0.630 20 0 ACADMP CC[C@H]([NH3+])c1nc(C[C@H](C)[NH2+]C)no1 380215905 1224319150 /nfs/dbraw/zinc/31/91/50/1224319150.db2.gz IEMSROXAKIXWTN-BQBZGAKWSA-N 2 1 198.270 0.630 20 0 ACADMP C[N@H+](CCC[NH3+])Cc1cccc(=O)[nH]1 382090516 1224320292 /nfs/dbraw/zinc/32/02/92/1224320292.db2.gz YNHGYOSTHDLXFX-UHFFFAOYSA-N 2 1 195.266 0.568 20 0 ACADMP C[N@@H+](CCC[NH3+])Cc1cccc(=O)[nH]1 382090516 1224320300 /nfs/dbraw/zinc/32/03/00/1224320300.db2.gz YNHGYOSTHDLXFX-UHFFFAOYSA-N 2 1 195.266 0.568 20 0 ACADMP CO[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 396638254 1224335607 /nfs/dbraw/zinc/33/56/07/1224335607.db2.gz OFTSKYZYZLHOMT-BBBLOLIVSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[NH3+] 396626585 1224335626 /nfs/dbraw/zinc/33/56/26/1224335626.db2.gz KNUXOILXKHRJOU-ZJUUUORDSA-N 3 1 185.315 0.455 20 0 ACADMP CO[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396638257 1224335733 /nfs/dbraw/zinc/33/57/33/1224335733.db2.gz OFTSKYZYZLHOMT-KXUCPTDWSA-N 2 1 186.299 0.751 20 0 ACADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[NH3+] 396626582 1224335789 /nfs/dbraw/zinc/33/57/89/1224335789.db2.gz KNUXOILXKHRJOU-NXEZZACHSA-N 3 1 185.315 0.455 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCC[NH3+] 396626583 1224336062 /nfs/dbraw/zinc/33/60/62/1224336062.db2.gz KNUXOILXKHRJOU-UWVGGRQHSA-N 3 1 185.315 0.455 20 0 ACADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCC[NH3+] 396626584 1224336212 /nfs/dbraw/zinc/33/62/12/1224336212.db2.gz KNUXOILXKHRJOU-VHSXEESVSA-N 3 1 185.315 0.455 20 0 ACADMP C[N@@H+](CC1CC1)C[C@@]1(O)CCC[NH2+]C1 405198386 1224342968 /nfs/dbraw/zinc/34/29/68/1224342968.db2.gz QEGRYPIETWRWOC-LLVKDONJSA-N 2 1 198.310 0.443 20 0 ACADMP CC[N@@H+](C[C@@]1(O)CCC[NH2+]C1)C1CC1 405194942 1224343016 /nfs/dbraw/zinc/34/30/16/1224343016.db2.gz MIGCXIHTMOOOQE-LLVKDONJSA-N 2 1 198.310 0.585 20 0 ACADMP C[C@@H]1CCC[N@H+]1C[C@]1(O)CCC[NH2+]C1 405178066 1224343107 /nfs/dbraw/zinc/34/31/07/1224343107.db2.gz GLVKJPCEQBXGED-MNOVXSKESA-N 2 1 198.310 0.585 20 0 ACADMP C[C@H]1CCC[N@H+]1C[C@]1(O)CCC[NH2+]C1 405178068 1224343259 /nfs/dbraw/zinc/34/32/59/1224343259.db2.gz GLVKJPCEQBXGED-QWRGUYRKSA-N 2 1 198.310 0.585 20 0 ACADMP CC[N@@H+](C[C@]1(O)CCC[NH2+]C1)C1CC1 405194943 1224343557 /nfs/dbraw/zinc/34/35/57/1224343557.db2.gz MIGCXIHTMOOOQE-NSHDSACASA-N 2 1 198.310 0.585 20 0 ACADMP C[N@@H+](CC1CC1)C[C@]1(O)CCC[NH2+]C1 405198387 1224343694 /nfs/dbraw/zinc/34/36/94/1224343694.db2.gz QEGRYPIETWRWOC-NSHDSACASA-N 2 1 198.310 0.443 20 0 ACADMP C[C@H]1CCC[N@H+]1C[C@@]1(O)CCC[NH2+]C1 405178070 1224343919 /nfs/dbraw/zinc/34/39/19/1224343919.db2.gz GLVKJPCEQBXGED-WDEREUQCSA-N 2 1 198.310 0.585 20 0 ACADMP C[C@@H]1CCC[N@H+]1C[C@@]1(O)CCC[NH2+]C1 405178063 1224343995 /nfs/dbraw/zinc/34/39/95/1224343995.db2.gz GLVKJPCEQBXGED-GHMZBOCLSA-N 2 1 198.310 0.585 20 0 ACADMP CC1CC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)C1 885921567 1224362108 /nfs/dbraw/zinc/36/21/08/1224362108.db2.gz QPJQAOJDQVXRIH-ILDUYXDCSA-N 2 1 198.310 0.692 20 0 ACADMP CC1CC(C[N@H+]2CCO[C@@H](C[NH3+])C2)C1 885921567 1224362112 /nfs/dbraw/zinc/36/21/12/1224362112.db2.gz QPJQAOJDQVXRIH-ILDUYXDCSA-N 2 1 198.310 0.692 20 0 ACADMP CC1CC(C[N@@H+]2CCO[C@H](C[NH3+])C2)C1 885921568 1224362601 /nfs/dbraw/zinc/36/26/01/1224362601.db2.gz QPJQAOJDQVXRIH-VQXHTEKXSA-N 2 1 198.310 0.692 20 0 ACADMP CC1CC(C[N@H+]2CCO[C@H](C[NH3+])C2)C1 885921568 1224362607 /nfs/dbraw/zinc/36/26/07/1224362607.db2.gz QPJQAOJDQVXRIH-VQXHTEKXSA-N 2 1 198.310 0.692 20 0 ACADMP CCC[C@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 1559491945 1224487778 /nfs/dbraw/zinc/48/77/78/1224487778.db2.gz YIYOJICHFVQNFE-AXFHLTTASA-N 2 1 198.310 0.299 20 0 ACADMP CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 1559491948 1224487974 /nfs/dbraw/zinc/48/79/74/1224487974.db2.gz YIYOJICHFVQNFE-OUAUKWLOSA-N 2 1 198.310 0.299 20 0 ACADMP Cn1cc([C@@H]2C[C@H]2C[NH2+]CC[NH3+])cn1 1574224971 1224493192 /nfs/dbraw/zinc/49/31/92/1224493192.db2.gz ULDVRGJKMIMGQA-WCBMZHEXSA-N 2 1 194.282 0.072 20 0 ACADMP CS[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 1574096316 1224493246 /nfs/dbraw/zinc/49/32/46/1224493246.db2.gz GKDGXRJDHGOUPF-IWSPIJDZSA-N 2 1 186.324 0.832 20 0 ACADMP CS[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 1574096315 1224493514 /nfs/dbraw/zinc/49/35/14/1224493514.db2.gz GKDGXRJDHGOUPF-CIUDSAMLSA-N 2 1 186.324 0.832 20 0 ACADMP CSCC[N@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1579373872 1224495018 /nfs/dbraw/zinc/49/50/18/1224495018.db2.gz FPJLJGVPLQHRJY-BRPSZJMVSA-N 2 1 186.324 0.499 20 0 ACADMP CSCC[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1579373872 1224495023 /nfs/dbraw/zinc/49/50/23/1224495023.db2.gz FPJLJGVPLQHRJY-BRPSZJMVSA-N 2 1 186.324 0.499 20 0 ACADMP C[C@@H](CO)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1579399200 1224495046 /nfs/dbraw/zinc/49/50/46/1224495046.db2.gz ZTGMZSWSSABHEF-LPEHRKFASA-N 2 1 186.299 0.426 20 0 ACADMP C[C@@H](O)C[N@H+]1[C@H]2CC[C@@H]1CN(C)CC2 1644474930 1224512358 /nfs/dbraw/zinc/51/23/58/1224512358.db2.gz OQHOWSQZASGNAN-OUAUKWLOSA-N 2 1 198.310 0.536 20 0 ACADMP C1C[NH2+]C[C@@H]([NH2+]CC2CC[NH2+]CC2)C1 257812539 527490084 /nfs/dbraw/zinc/49/00/84/527490084.db2.gz BSXXTYMHNOPJAX-NSHDSACASA-N 3 1 197.326 0.328 20 0 ACADMP Nc1ccc[nH+]c1N1CCC([NH3+])CC1 307446707 527530478 /nfs/dbraw/zinc/53/04/78/527530478.db2.gz WYMHPUYAYNDLRJ-UHFFFAOYSA-N 2 1 192.266 0.591 20 0 ACADMP