smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[NH+]=C1C1([NH3+])CCC1 685944137 537812163 /nfs/dbraw/zinc/81/21/63/537812163.db2.gz PFSVKVUCDJUIHP-UHFFFAOYSA-N 2 1 153.229 0.212 50 0 ACAAMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N1CC[NH2+]CC1 73653697 537866516 /nfs/dbraw/zinc/86/65/16/537866516.db2.gz YUGJABFUFIIICU-MNOVXSKESA-N 2 1 197.326 0.232 50 0 ACAAMP C[C@H]1C[N@@H+](C)CC[C@@H]1N1CC[NH2+]CC1 73653700 537868659 /nfs/dbraw/zinc/86/86/59/537868659.db2.gz YUGJABFUFIIICU-QWRGUYRKSA-N 2 1 197.326 0.232 50 0 ACAAMP C[N@@H+]1C[C@H]2C[C@@H]([NH3+])CC[C@H]2C1 76590272 537871838 /nfs/dbraw/zinc/87/18/38/537871838.db2.gz XIBWVLMVXUPBMI-YIZRAAEISA-N 2 1 154.257 0.675 50 0 ACAAMP CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 204369956 757030343 /nfs/dbraw/zinc/03/03/43/757030343.db2.gz GLTONSGDKUVRCW-DTWKUNHWSA-N 2 1 154.257 0.548 50 0 ACAAMP C[N@H+]1CC[C@H]([NH3+])[C@@H]2CCC[C@@H]21 238333054 573285082 /nfs/dbraw/zinc/28/50/82/573285082.db2.gz WPUAQRJGVPWHMN-CIUDSAMLSA-N 2 1 154.257 0.818 50 0 ACAAMP C[NH2+]C[C@@H]1CCc2[nH+]c(C)cn2C1 107311778 573503386 /nfs/dbraw/zinc/50/33/86/573503386.db2.gz LZFHCVPPJUTNPY-VIFPVBQESA-N 2 1 179.267 0.973 50 0 ACAAMP C[N@@H+]1C[C@H]2C[C@H](C[NH3+])CC[C@H]2C1 169794908 1169294163 /nfs/dbraw/zinc/29/41/63/1169294163.db2.gz KMKLGROJUUVCRC-KXUCPTDWSA-N 2 1 168.284 0.923 50 0 ACAAMP CCC1=[NH+]CCN1CC[NH3+] 104570998 573017999 /nfs/dbraw/zinc/01/79/99/573017999.db2.gz NGHBEIVEKHYEGR-UHFFFAOYSA-N 2 1 141.218 0.069 50 0 ACAAMP C[NH2+]C[C@H]1CCc2[nH+]c(C)cn2C1 107311776 573502068 /nfs/dbraw/zinc/50/20/68/573502068.db2.gz LZFHCVPPJUTNPY-SECBINFHSA-N 2 1 179.267 0.973 50 0 ACAAMP C[C@@H]1C[N@@H+](CCC[NH3+])CCCO1 61914795 490016271 /nfs/dbraw/zinc/01/62/71/490016271.db2.gz YKELQXIWZFQQQS-SECBINFHSA-N 2 1 172.272 0.446 50 0 in-vitro ACAAMP CC(C)[C@@H]([NH3+])[C@@]1(O)CC[N@@H+](C)C1 958527585 698189783 /nfs/dbraw/zinc/18/97/83/698189783.db2.gz AGTCTBBLSXQNPL-RKDXNWHRSA-N 2 1 172.272 0.036 50 0 ACAAMP CC(C)[C@@H]([NH3+])[C@]1(O)CC[N@@H+](C)C1 958527582 698189837 /nfs/dbraw/zinc/18/98/37/698189837.db2.gz AGTCTBBLSXQNPL-BDAKNGLRSA-N 2 1 172.272 0.036 50 0 ACAAMP CC(C)[C@H]([NH3+])[C@]1(O)CC[N@@H+](C)C1 958527584 698189964 /nfs/dbraw/zinc/18/99/64/698189964.db2.gz AGTCTBBLSXQNPL-IUCAKERBSA-N 2 1 172.272 0.036 50 0 ACAAMP CC(C)[C@H]([NH3+])[C@@]1(O)CC[N@@H+](C)C1 958527583 698190015 /nfs/dbraw/zinc/19/00/15/698190015.db2.gz AGTCTBBLSXQNPL-DTWKUNHWSA-N 2 1 172.272 0.036 50 0 ACAAMP Cc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 4945061 132180511 /nfs/dbraw/zinc/18/05/11/132180511.db2.gz NARMKNJWXHFJFF-UHFFFAOYSA-N 2 1 192.266 0.503 50 0 in-vitro ACAAMP CCc1[nH+]ccn1CCC[NH3+] 6677584 343016027 /nfs/dbraw/zinc/01/60/27/343016027.db2.gz QWBQWONZMPWCIT-UHFFFAOYSA-N 2 1 153.229 0.794 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](CCCC[NH3+])C[C@@H](C)O1 6677791 343016063 /nfs/dbraw/zinc/01/60/63/343016063.db2.gz ODJBPQYPAKLTSU-AOOOYVTPSA-N 2 1 186.299 0.835 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH3+] 6780156 343016427 /nfs/dbraw/zinc/01/64/27/343016427.db2.gz WLFDKDVGHUCVFY-NKWVEPMBSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP C[C@H]1C[N@H+](CCC[NH3+])C[C@@H](C)O1 12505388 343031467 /nfs/dbraw/zinc/03/14/67/343031467.db2.gz NIFZHABTMWBHTG-DTORHVGOSA-N 2 1 172.272 0.444 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](CCC[NH3+])C[C@@H](C)O1 12505388 343031469 /nfs/dbraw/zinc/03/14/69/343031469.db2.gz NIFZHABTMWBHTG-DTORHVGOSA-N 2 1 172.272 0.444 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 18505181 343048431 /nfs/dbraw/zinc/04/84/31/343048431.db2.gz BNLKJYVQFIOOTE-HTQZYQBOSA-N 2 1 140.230 0.158 50 0 in-vitro ACAAMP CN1CC[NH+](CC(C)(C)C[NH3+])CC1 19199886 343051970 /nfs/dbraw/zinc/05/19/70/343051970.db2.gz NSYKKEXFLYMRPJ-UHFFFAOYSA-N 2 1 185.315 0.219 50 0 ACAAMP CC(C)c1[nH+]ccn1CC[NH3+] 20030572 343066240 /nfs/dbraw/zinc/06/62/40/343066240.db2.gz IEOTWFHRFWAMJR-UHFFFAOYSA-N 2 1 153.229 0.965 50 0 in-vitro ACAAMP CC(C)[C@@H]([NH3+])C[NH+](C)C 20074027 343066657 /nfs/dbraw/zinc/06/66/57/343066657.db2.gz ZKUQESYHKKBVDE-ZETCQYMHSA-N 2 1 130.235 0.531 50 0 in-vitro ACAAMP C[N@@H+](CCO)C1(C[NH3+])CCCCC1 20226839 343069971 /nfs/dbraw/zinc/06/99/71/343069971.db2.gz MFBVHAOMZUQOQK-UHFFFAOYSA-N 2 1 186.299 0.572 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H](CN2CC[NH2+]CC2)C1 22029042 343077732 /nfs/dbraw/zinc/07/77/32/343077732.db2.gz JNRZWBOVQVAUTC-NSHDSACASA-N 2 1 197.326 0.233 50 0 in-vitro ACAAMP CC(C)[N@@H+](C)CCC[NH3+] 22161644 343079823 /nfs/dbraw/zinc/07/98/23/343079823.db2.gz BYMMQCFMKZXWCN-UHFFFAOYSA-N 2 1 130.235 0.675 50 0 in-vitro ACAAMP CCC[N@H+]1CCC[NH2+]CC1 23070641 343083279 /nfs/dbraw/zinc/08/32/79/343083279.db2.gz GXRSWAZGYHZTSQ-UHFFFAOYSA-N 2 1 142.246 0.692 50 0 in-vitro ACAAMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1C1CC1 23844648 343084490 /nfs/dbraw/zinc/08/44/90/343084490.db2.gz BXEZDTWKLTUSIV-NKWVEPMBSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1C1CC1 23844648 343084491 /nfs/dbraw/zinc/08/44/91/343084491.db2.gz BXEZDTWKLTUSIV-NKWVEPMBSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP CCC[N@H+](CC[NH3+])C1CC1 23803757 343084515 /nfs/dbraw/zinc/08/45/15/343084515.db2.gz BOTDXKZGQYXZRT-UHFFFAOYSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP CCC[N@@H+](CC[NH3+])C1CC1 23803757 343084516 /nfs/dbraw/zinc/08/45/16/343084516.db2.gz BOTDXKZGQYXZRT-UHFFFAOYSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP CCCC[N@@H+]1CC[C@@H]([NH3+])C1 31996451 343095237 /nfs/dbraw/zinc/09/52/37/343095237.db2.gz WZQVWDRDYHYXBG-MRVPVSSYSA-N 2 1 142.246 0.820 50 0 ACAAMP CCCC[N@H+]1CC[C@@H]([NH3+])C1 31996451 343095239 /nfs/dbraw/zinc/09/52/39/343095239.db2.gz WZQVWDRDYHYXBG-MRVPVSSYSA-N 2 1 142.246 0.820 50 0 ACAAMP CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 36091774 343140583 /nfs/dbraw/zinc/14/05/83/343140583.db2.gz UYZDDPIZRFTWMM-YUMQZZPRSA-N 2 1 142.246 0.818 50 0 ACAAMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 36091774 343140584 /nfs/dbraw/zinc/14/05/84/343140584.db2.gz UYZDDPIZRFTWMM-YUMQZZPRSA-N 2 1 142.246 0.818 50 0 ACAAMP CCC[N@H+](C)CC[NH3+] 37097917 343159843 /nfs/dbraw/zinc/15/98/43/343159843.db2.gz MEZKKZTWNNWYBQ-UHFFFAOYSA-N 2 1 116.208 0.287 50 0 ACAAMP CCC[N@@H+](C)CC[NH3+] 37097917 343159844 /nfs/dbraw/zinc/15/98/44/343159844.db2.gz MEZKKZTWNNWYBQ-UHFFFAOYSA-N 2 1 116.208 0.287 50 0 ACAAMP C[NH2+]C1CC[NH+](C2CC2)CC1 37241637 343163855 /nfs/dbraw/zinc/16/38/55/343163855.db2.gz BFKLYKRCRPMUCU-UHFFFAOYSA-N 2 1 154.257 0.833 50 0 ACAAMP C[C@H]1CC[N@H+](C)CC[NH2+]1 38864334 343191513 /nfs/dbraw/zinc/19/15/13/343191513.db2.gz YXHIPTFPIOGDBW-ZETCQYMHSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[C@H]1CC[N@@H+](C)CC[NH2+]1 38864334 343191514 /nfs/dbraw/zinc/19/15/14/343191514.db2.gz YXHIPTFPIOGDBW-ZETCQYMHSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[NH+](C)[C@H]1CCC[C@@H]1[NH3+] 40162786 343215266 /nfs/dbraw/zinc/21/52/66/343215266.db2.gz VCJNAZAMCYBDCP-BQBZGAKWSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP CC(C)[NH2+][C@@H]1CCC[NH2+]C1 43323673 343251522 /nfs/dbraw/zinc/25/15/22/343251522.db2.gz XAXUUHPCEVNZFT-MRVPVSSYSA-N 2 1 142.246 0.736 50 0 in-vitro ACAAMP C[N@H+]1C[C@@H]2CC[C@H](C1)C2[NH3+] 47845176 343273189 /nfs/dbraw/zinc/27/31/89/343273189.db2.gz OMNZTTYSHLWCDQ-DHBOJHSNSA-N 2 1 140.230 0.285 50 0 ACAAMP C[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 51889577 343295409 /nfs/dbraw/zinc/29/54/09/343295409.db2.gz OCCRWIBMVVTWSL-JTQLQIEISA-N 2 1 168.284 0.938 50 0 in-vitro ACAAMP CCC[N@@H+](C)C[C@H]1CC[NH2+]C1 51889449 343295438 /nfs/dbraw/zinc/29/54/38/343295438.db2.gz RPARNKXIGXQZRG-VIFPVBQESA-N 2 1 156.273 0.938 50 0 in-vitro ACAAMP CCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889447 343295392 /nfs/dbraw/zinc/29/53/92/343295392.db2.gz RPARNKXIGXQZRG-SECBINFHSA-N 2 1 156.273 0.938 50 0 in-vitro ACAAMP C[NH2+]CCC[NH2+]Cc1cccnc1 57362427 343337182 /nfs/dbraw/zinc/33/71/82/343337182.db2.gz WVJCWYJCNRALHO-UHFFFAOYSA-N 2 1 179.267 0.781 50 0 ACAAMP C[N@H+]1CCC[NH2+]CC1(C)C 62566261 343375673 /nfs/dbraw/zinc/37/56/73/343375673.db2.gz UICVMISNXHDJGK-UHFFFAOYSA-N 2 1 142.246 0.690 50 0 ACAAMP C[N@H+](C1CC[NH2+]CC1)[C@@H]1CCOC1 70072525 343473711 /nfs/dbraw/zinc/47/37/11/343473711.db2.gz HMJZJSFFKWTYGW-SNVBAGLBSA-N 2 1 184.283 0.459 50 0 ACAAMP C[N@H+]1C[C@@H]2CCC[C@H]1C[NH2+]C2 72362056 343569881 /nfs/dbraw/zinc/56/98/81/343569881.db2.gz CIRFYLKOLBDVLF-BDAKNGLRSA-N 2 1 154.257 0.690 50 0 ACAAMP CN1CC[NH+](CCC(C)(C)[NH3+])CC1 74280816 343571681 /nfs/dbraw/zinc/57/16/81/343571681.db2.gz NXLLNRYJCITPEK-UHFFFAOYSA-N 2 1 185.315 0.361 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H]2[NH2+]CCC[C@@H]21 79792735 343589984 /nfs/dbraw/zinc/58/99/84/343589984.db2.gz TYDLYZLEIVJSSX-IUCAKERBSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 82406923 343602620 /nfs/dbraw/zinc/60/26/20/343602620.db2.gz KAWCNZLKKVCXSN-RKDXNWHRSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[NH+](C)Cc1ncn2c1C[NH2+]CCC2 96259210 343694850 /nfs/dbraw/zinc/69/48/50/343694850.db2.gz BKSJPSVERRSLKO-UHFFFAOYSA-N 2 1 194.282 0.438 50 0 ACAAMP C[NH+]1CCN(C2=CC[N@@H+](C)CC2)CC1 100911975 343721108 /nfs/dbraw/zinc/72/11/08/343721108.db2.gz KKKIRHHSASWSGN-UHFFFAOYSA-N 2 1 195.310 0.453 50 0 ACAAMP [NH3+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 101724949 343724968 /nfs/dbraw/zinc/72/49/68/343724968.db2.gz SHDAASRRPFQHIB-RKDXNWHRSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CCC[N@H+]2CCCC[C@H]12 101724949 343724969 /nfs/dbraw/zinc/72/49/69/343724969.db2.gz SHDAASRRPFQHIB-RKDXNWHRSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP CC(C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 101662443 343724985 /nfs/dbraw/zinc/72/49/85/343724985.db2.gz GUDNKWNWSKSETH-HTQZYQBOSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP C1CC([N@H+]2CCC[NH2+]CC2)C1 52213776 166082972 /nfs/dbraw/zinc/08/29/72/166082972.db2.gz PEUPRRYADLJLAD-UHFFFAOYSA-N 2 1 154.257 0.834 50 0 in-vitro ACAAMP C1CC([NH+]2CCSCC2)CC[NH2+]1 19088579 166083005 /nfs/dbraw/zinc/08/30/05/166083005.db2.gz SBNUKGVQXYBWLO-UHFFFAOYSA-N 2 1 186.324 0.787 50 0 ACAAMP C1CC2(CC[NH2+]1)C[N@@H+](C1CC1)CCO2 96531552 166085969 /nfs/dbraw/zinc/08/59/69/166085969.db2.gz QGRXGOZHCTVDKW-UHFFFAOYSA-N 2 1 196.294 0.603 50 0 ACAAMP C1CC[NH+](C[C@H]2C[NH2+]CCCO2)CC1 49584964 166091116 /nfs/dbraw/zinc/09/11/16/166091116.db2.gz PVKKESOUKDFXRZ-LLVKDONJSA-N 2 1 198.310 0.851 50 0 in-vitro ACAAMP C1CC[NH+]([C@H]2CC[NH2+]C2)C1 20135934 166091865 /nfs/dbraw/zinc/09/18/65/166091865.db2.gz HFZLSTDPRQSZCQ-QMMMGPOBSA-N 2 1 140.230 0.444 50 0 in-vitro ACAAMP C1CC[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C1 71372314 166092009 /nfs/dbraw/zinc/09/20/09/166092009.db2.gz ATTNTEJBTCFFOL-GUBZILKMSA-N 2 1 166.268 0.690 50 0 in-vitro ACAAMP C1CC[NH+](C[C@@H]2C[NH2+]CCCO2)CC1 49584963 166092321 /nfs/dbraw/zinc/09/23/21/166092321.db2.gz PVKKESOUKDFXRZ-NSHDSACASA-N 2 1 198.310 0.851 50 0 in-vitro ACAAMP C1CC[NH2+]CCC[NH2+]CCC[NH2+]C1 29786434 166092485 /nfs/dbraw/zinc/09/24/85/166092485.db2.gz UXABFDDIKPVEBR-UHFFFAOYSA-N 3 1 185.315 0.329 50 0 ACAAMP C1CC[NH+]([C@@H]2CC[NH2+]C2)C1 20135930 166092502 /nfs/dbraw/zinc/09/25/02/166092502.db2.gz HFZLSTDPRQSZCQ-MRVPVSSYSA-N 2 1 140.230 0.444 50 0 in-vitro ACAAMP C1C[NH2+][C@H](C[NH+]2CCCC2)C1 38193753 166096785 /nfs/dbraw/zinc/09/67/85/166096785.db2.gz YLBWRMSQRFEIEB-VIFPVBQESA-N 2 1 154.257 0.834 50 0 in-vitro ACAAMP C1C[NH2+][C@H]2C[NH2+]CC[C@@H]2C1 24181044 166096899 /nfs/dbraw/zinc/09/68/99/166096899.db2.gz XOYWYIBCMNHXFE-YUMQZZPRSA-N 2 1 140.230 0.348 50 0 ACAAMP C1C[NH2+][C@H]2CCC[NH2+][C@H]2C1 24181303 166096949 /nfs/dbraw/zinc/09/69/49/166096949.db2.gz RQPDLNSKAAOHTF-YUMQZZPRSA-N 2 1 140.230 0.490 50 0 ACAAMP C1C[NH2+]C[C@H]([NH+]2CCCC2)C1 32445548 166097058 /nfs/dbraw/zinc/09/70/58/166097058.db2.gz DSRVXZMXCPNZDO-SECBINFHSA-N 2 1 154.257 0.834 50 0 in-vitro ACAAMP C1C[NH2+]C[C@H]([NH2+]C2CCOCC2)C1 43325670 166097077 /nfs/dbraw/zinc/09/70/77/166097077.db2.gz AAKSFRUPVLIFJD-SNVBAGLBSA-N 2 1 184.283 0.507 50 0 ACAAMP C1C[NH2+][C@@H]2CCC[NH2+][C@H]2C1 24181300 166097102 /nfs/dbraw/zinc/09/71/02/166097102.db2.gz RQPDLNSKAAOHTF-OCAPTIKFSA-N 2 1 140.230 0.490 50 0 ACAAMP C1C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C1 24181041 166097257 /nfs/dbraw/zinc/09/72/57/166097257.db2.gz XOYWYIBCMNHXFE-JGVFFNPUSA-N 2 1 140.230 0.348 50 0 ACAAMP C1C[NH2+][C@@H]2CCC[NH2+][C@@H]2C1 24181297 166097320 /nfs/dbraw/zinc/09/73/20/166097320.db2.gz RQPDLNSKAAOHTF-HTQZYQBOSA-N 2 1 140.230 0.490 50 0 ACAAMP C1C[NH2+][C@@H](C[NH+]2CCCC2)C1 38193752 166097469 /nfs/dbraw/zinc/09/74/69/166097469.db2.gz YLBWRMSQRFEIEB-SECBINFHSA-N 2 1 154.257 0.834 50 0 in-vitro ACAAMP C1C[NH2+]C[C@H]2CCC[N@@H+]2C1 23093926 166098529 /nfs/dbraw/zinc/09/85/29/166098529.db2.gz QBNOLQLKVNGFCG-MRVPVSSYSA-N 2 1 140.230 0.444 50 0 in-vitro ACAAMP C1CO[C@@H](C[N@@H+]2CCC[NH2+]CC2)C1 20282551 166100103 /nfs/dbraw/zinc/10/01/03/166100103.db2.gz JDMRPTSLBHFQQV-SNVBAGLBSA-N 2 1 184.283 0.461 50 0 ACAAMP C1CO[C@@H](C[N@H+]2CCC[NH2+]CC2)C1 20282551 166100106 /nfs/dbraw/zinc/10/01/06/166100106.db2.gz JDMRPTSLBHFQQV-SNVBAGLBSA-N 2 1 184.283 0.461 50 0 ACAAMP C1CO[C@H](C[N@@H+]2CCC[NH2+]CC2)C1 20282547 166101073 /nfs/dbraw/zinc/10/10/73/166101073.db2.gz JDMRPTSLBHFQQV-JTQLQIEISA-N 2 1 184.283 0.461 50 0 ACAAMP C1CO[C@H](C[N@H+]2CCC[NH2+]CC2)C1 20282547 166101077 /nfs/dbraw/zinc/10/10/77/166101077.db2.gz JDMRPTSLBHFQQV-JTQLQIEISA-N 2 1 184.283 0.461 50 0 ACAAMP C1C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3[N@H+]2C1 38338646 166107588 /nfs/dbraw/zinc/10/75/88/166107588.db2.gz SYZQBOYLQBDNLX-HLTSFMKQSA-N 2 1 152.241 0.443 50 0 ACAAMP C1C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3[N@H+]2C1 38338648 166109604 /nfs/dbraw/zinc/10/96/04/166109604.db2.gz SYZQBOYLQBDNLX-VGMNWLOBSA-N 2 1 152.241 0.443 50 0 ACAAMP CC(C)(C)C[C@@H]([NH3+])C[NH3+] 61839769 166355897 /nfs/dbraw/zinc/35/58/97/166355897.db2.gz NWMYXAPASNVRQE-ZCFIWIBFSA-N 2 1 130.235 0.709 50 0 in-vitro ACAAMP CC(C)(C)C[C@H]([NH3+])C[NH3+] 61839768 166357337 /nfs/dbraw/zinc/35/73/37/166357337.db2.gz NWMYXAPASNVRQE-LURJTMIESA-N 2 1 130.235 0.709 50 0 in-vitro ACAAMP CC(C)(C)[N@@H+]1CC[C@H]([NH3+])C1 33426991 166359706 /nfs/dbraw/zinc/35/97/06/166359706.db2.gz UTEZMBDWXGWOQJ-ZETCQYMHSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC(C)(C)[N@H+]1CC[C@H]([NH3+])C1 33426991 166359708 /nfs/dbraw/zinc/35/97/08/166359708.db2.gz UTEZMBDWXGWOQJ-ZETCQYMHSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH3+] 19366557 166360888 /nfs/dbraw/zinc/36/08/88/166360888.db2.gz FPTNQKRYZXLXLB-SSDOTTSWSA-N 2 1 142.246 0.818 50 0 ACAAMP CC(C)(C)[N@H+]1CC[C@@H]1C[NH3+] 19366557 166360890 /nfs/dbraw/zinc/36/08/90/166360890.db2.gz FPTNQKRYZXLXLB-SSDOTTSWSA-N 2 1 142.246 0.818 50 0 ACAAMP CC(C)(C)[N@@H+]1CC[C@@H]([NH3+])C1 33426990 166361070 /nfs/dbraw/zinc/36/10/70/166361070.db2.gz UTEZMBDWXGWOQJ-SSDOTTSWSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC(C)(C)[N@H+]1CC[C@@H]([NH3+])C1 33426990 166361071 /nfs/dbraw/zinc/36/10/71/166361071.db2.gz UTEZMBDWXGWOQJ-SSDOTTSWSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC(C)(C)[N@@H+]1CC[C@H]1C[NH3+] 22586514 166361162 /nfs/dbraw/zinc/36/11/62/166361162.db2.gz FPTNQKRYZXLXLB-ZETCQYMHSA-N 2 1 142.246 0.818 50 0 ACAAMP CC(C)(C)[N@H+]1CC[C@H]1C[NH3+] 22586514 166361164 /nfs/dbraw/zinc/36/11/64/166361164.db2.gz FPTNQKRYZXLXLB-ZETCQYMHSA-N 2 1 142.246 0.818 50 0 ACAAMP CC(C)(C)[NH2+]CC[NH3+] 19732707 166366338 /nfs/dbraw/zinc/36/63/38/166366338.db2.gz JYXKYKIDIKVWNY-UHFFFAOYSA-N 2 1 116.208 0.333 50 0 in-vitro ACAAMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCC[NH3+] 79670621 166370024 /nfs/dbraw/zinc/37/00/24/166370024.db2.gz KZDKDSWGCFVJCE-ZETCQYMHSA-N 2 1 188.271 0.394 50 0 ACAAMP CC(C)(C)OC(=O)[C@H]([NH3+])CCC[NH3+] 64219633 166371766 /nfs/dbraw/zinc/37/17/66/166371766.db2.gz KZDKDSWGCFVJCE-SSDOTTSWSA-N 2 1 188.271 0.394 50 0 ACAAMP CC(C)(C)[C@H]([NH3+])C[NH3+] 19367838 166379953 /nfs/dbraw/zinc/37/99/53/166379953.db2.gz KKMKAWJAGGJWTJ-RXMQYKEDSA-N 2 1 116.208 0.319 50 0 in-vitro ACAAMP CCCC[NH2+]CC[NH3+] 19370463 166897529 /nfs/dbraw/zinc/89/75/29/166897529.db2.gz DFPGBRPWDZFIPP-UHFFFAOYSA-N 2 1 116.208 0.335 50 0 in-vitro ACAAMP CCC[C@@H](C[NH3+])[NH+](C)C 23067948 167040536 /nfs/dbraw/zinc/04/05/36/167040536.db2.gz PLHKKHOLOZDWIB-ZETCQYMHSA-N 2 1 130.235 0.675 50 0 in-vitro ACAAMP CCC[C@@H]([NH3+])C[NH3+] 34332852 167043353 /nfs/dbraw/zinc/04/33/53/167043353.db2.gz LPGZAWSMGCIBOF-RXMQYKEDSA-N 2 1 102.181 0.073 50 0 in-vitro ACAAMP CCC[C@H](C[NH3+])[NH+](C)C 23067950 167075228 /nfs/dbraw/zinc/07/52/28/167075228.db2.gz PLHKKHOLOZDWIB-SSDOTTSWSA-N 2 1 130.235 0.675 50 0 in-vitro ACAAMP CCC[C@H]([NH3+])C[NH3+] 34332851 167079868 /nfs/dbraw/zinc/07/98/68/167079868.db2.gz LPGZAWSMGCIBOF-YFKPBYRVSA-N 2 1 102.181 0.073 50 0 in-vitro ACAAMP CC[N@@H+](C)CC1CC[NH2+]CC1 20440775 167139258 /nfs/dbraw/zinc/13/92/58/167139258.db2.gz IKPGXZXKSMHPCC-UHFFFAOYSA-N 2 1 156.273 0.938 50 0 ACAAMP CC[N@@H+](C)C[C@@H](C)C[NH3+] 19092713 167140982 /nfs/dbraw/zinc/14/09/82/167140982.db2.gz SICIHXOPFHRGOG-ZETCQYMHSA-N 2 1 130.235 0.533 50 0 in-vitro ACAAMP CC[N@@H+](C)CCC[NH3+] 19834733 167141446 /nfs/dbraw/zinc/14/14/46/167141446.db2.gz FRVNYRKFLIOCNF-UHFFFAOYSA-N 2 1 116.208 0.287 50 0 ACAAMP CC[N@@H+](C)C1CC[NH2+]CC1 37078961 167142226 /nfs/dbraw/zinc/14/22/26/167142226.db2.gz JTRGJKPTAQTNAS-UHFFFAOYSA-N 2 1 142.246 0.690 50 0 ACAAMP CC[N@@H+](C)C[C@H]1CC[NH2+]C1 51889421 167144081 /nfs/dbraw/zinc/14/40/81/167144081.db2.gz QWVOIUJSOWUXNE-QMMMGPOBSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP CC[N@@H+](C)[C@H](C)CC[NH3+] 19092127 167144275 /nfs/dbraw/zinc/14/42/75/167144275.db2.gz UVQPZTDUOSENTP-SSDOTTSWSA-N 2 1 130.235 0.675 50 0 in-vitro ACAAMP CC[N@@H+](C)C[C@H](C)C[NH3+] 19092715 167144608 /nfs/dbraw/zinc/14/46/08/167144608.db2.gz SICIHXOPFHRGOG-SSDOTTSWSA-N 2 1 130.235 0.533 50 0 in-vitro ACAAMP CC[N@@H+](C)[C@@H](C)CC[NH3+] 19092124 167145293 /nfs/dbraw/zinc/14/52/93/167145293.db2.gz UVQPZTDUOSENTP-ZETCQYMHSA-N 2 1 130.235 0.675 50 0 in-vitro ACAAMP CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889419 167146860 /nfs/dbraw/zinc/14/68/60/167146860.db2.gz QWVOIUJSOWUXNE-MRVPVSSYSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP CC[N@H+](C1CC[NH2+]CC1)[C@@H]1CCOC1 70543084 167152805 /nfs/dbraw/zinc/15/28/05/167152805.db2.gz VLDVJXNQXXDFON-LLVKDONJSA-N 2 1 198.310 0.849 50 0 ACAAMP CC[N@H+](C1CC[NH2+]CC1)[C@H]1CCOC1 70543085 167155558 /nfs/dbraw/zinc/15/55/58/167155558.db2.gz VLDVJXNQXXDFON-NSHDSACASA-N 2 1 198.310 0.849 50 0 ACAAMP CC[NH+](CC)CC[NH3+] 19230110 167165206 /nfs/dbraw/zinc/16/52/06/167165206.db2.gz UDGSVBYJWHOHNN-UHFFFAOYSA-N 2 1 116.208 0.287 50 0 in-vitro ACAAMP CCN(CC)CC[NH2+]CCC[NH3+] 19736877 167168086 /nfs/dbraw/zinc/16/80/86/167168086.db2.gz RSXRRHHZYNMQRF-UHFFFAOYSA-N 2 1 173.304 0.267 50 0 in-vitro ACAAMP CC[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 42783252 167182693 /nfs/dbraw/zinc/18/26/93/167182693.db2.gz SWNLRYROGJBFLA-JTQLQIEISA-N 2 1 186.299 0.300 50 0 ACAAMP CC[N@@H+](CCO)C1CC[NH2+]CC1 37653846 167185332 /nfs/dbraw/zinc/18/53/32/167185332.db2.gz XYNPYOJLNVLWNI-UHFFFAOYSA-N 2 1 172.272 0.053 50 0 in-vitro ACAAMP CC[N@@H+](CCO)CC1CC[NH2+]CC1 42783264 167185713 /nfs/dbraw/zinc/18/57/13/167185713.db2.gz PPHFKSFLLGAVOU-UHFFFAOYSA-N 2 1 186.299 0.300 50 0 ACAAMP CC[N@H+](CC[NH3+])C1CC1 37079477 167185729 /nfs/dbraw/zinc/18/57/29/167185729.db2.gz PCRMAYOLQMQWRH-UHFFFAOYSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@@H+](CC[NH3+])C1CC1 37079477 167185731 /nfs/dbraw/zinc/18/57/31/167185731.db2.gz PCRMAYOLQMQWRH-UHFFFAOYSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@@H+](CCO)CCC[C@@H](C)[NH3+] 2510617 167186147 /nfs/dbraw/zinc/18/61/47/167186147.db2.gz XUVXSSOPXQRCGL-SECBINFHSA-N 2 1 174.288 0.428 50 0 ACAAMP CC[N@@H+](CCO)C[C@@H]1CCC[NH2+]C1 42783251 167186475 /nfs/dbraw/zinc/18/64/75/167186475.db2.gz SWNLRYROGJBFLA-SNVBAGLBSA-N 2 1 186.299 0.300 50 0 ACAAMP CC[N@@H+](CCO)CCC[C@H](C)[NH3+] 5850163 167186688 /nfs/dbraw/zinc/18/66/88/167186688.db2.gz XUVXSSOPXQRCGL-VIFPVBQESA-N 2 1 174.288 0.428 50 0 ACAAMP CC[N@H+]1CCC[NH2+]C[C@H]1C 23699248 167202397 /nfs/dbraw/zinc/20/23/97/167202397.db2.gz GSVAAWWZBRXGBU-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 ACAAMP CC[N@H+]1CCC[NH2+]CC1 19255313 167202603 /nfs/dbraw/zinc/20/26/03/167202603.db2.gz CWFLFGDTTKLLGN-UHFFFAOYSA-N 2 1 128.219 0.302 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@@H](C[NH2+]C)C1 11888616 167202665 /nfs/dbraw/zinc/20/26/65/167202665.db2.gz CWENJDZQKVBYRM-VIFPVBQESA-N 2 1 156.273 0.938 50 0 in-vitro ACAAMP CC[N@H+]1CCC[NH2+]C[C@@H]1C 23699245 167202957 /nfs/dbraw/zinc/20/29/57/167202957.db2.gz GSVAAWWZBRXGBU-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 ACAAMP CC[N@H+]1CCC[NH2+][C@H](C)C1 62566266 167203378 /nfs/dbraw/zinc/20/33/78/167203378.db2.gz LGNIAGRSQCMQNR-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 ACAAMP CC[N@H+]1CCC[C@@H](C[NH3+])C1 4342654 167203704 /nfs/dbraw/zinc/20/37/04/167203704.db2.gz SCANQRLZBOLBQD-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP CC[N@H+]1CCC[NH2+][C@@H](C)C1 62566268 167203909 /nfs/dbraw/zinc/20/39/09/167203909.db2.gz LGNIAGRSQCMQNR-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 ACAAMP CC[N@@H+]1CCC[C@@H]([NH3+])C1 32445542 167204276 /nfs/dbraw/zinc/20/42/76/167204276.db2.gz WAKUKXKZEXFXJP-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@@H]([NH3+])C1 32445542 167204284 /nfs/dbraw/zinc/20/42/84/167204284.db2.gz WAKUKXKZEXFXJP-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@H]1N(C)CCC[NH3+] 45796267 167205231 /nfs/dbraw/zinc/20/52/31/167205231.db2.gz NUSLQTFTUYOMOD-JTQLQIEISA-N 2 1 185.315 0.709 50 0 ACAAMP CC[N@@H+]1CCC[C@H]([NH3+])C1 19369225 167205864 /nfs/dbraw/zinc/20/58/64/167205864.db2.gz WAKUKXKZEXFXJP-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@H]([NH3+])C1 19369225 167205867 /nfs/dbraw/zinc/20/58/67/167205867.db2.gz WAKUKXKZEXFXJP-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@@H+]1CCC[C@@H]1CNCC[NH+](C)C 20054267 167206723 /nfs/dbraw/zinc/20/67/23/167206723.db2.gz ZMVVDZONFGZUNP-LLVKDONJSA-N 2 1 199.342 0.622 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@@H]1CNCC[NH+](C)C 20054267 167206726 /nfs/dbraw/zinc/20/67/26/167206726.db2.gz ZMVVDZONFGZUNP-LLVKDONJSA-N 2 1 199.342 0.622 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@@H]1N(C)CCC[NH3+] 45796266 167207003 /nfs/dbraw/zinc/20/70/03/167207003.db2.gz NUSLQTFTUYOMOD-SNVBAGLBSA-N 2 1 185.315 0.709 50 0 ACAAMP CC[N@@H+]1CCC[C@H]1C[NH3+] 19230162 167207479 /nfs/dbraw/zinc/20/74/79/167207479.db2.gz UNRBEYYLYRXYCG-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@H]1C[NH3+] 19230162 167207481 /nfs/dbraw/zinc/20/74/81/167207481.db2.gz UNRBEYYLYRXYCG-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@@H+]1CCC[C@@H]1C[NH2+]C 90225622 167207547 /nfs/dbraw/zinc/20/75/47/167207547.db2.gz GIMRAHPLZCMZKC-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@@H]1C[NH2+]C 90225622 167207551 /nfs/dbraw/zinc/20/75/51/167207551.db2.gz GIMRAHPLZCMZKC-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP CC[N@@H+]1CCC[C@@H]1C[NH3+] 19230160 167207831 /nfs/dbraw/zinc/20/78/31/167207831.db2.gz UNRBEYYLYRXYCG-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@@H]1C[NH3+] 19230160 167207833 /nfs/dbraw/zinc/20/78/33/167207833.db2.gz UNRBEYYLYRXYCG-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[N@@H+]1CCC[C@H]1CNCC[NH+](C)C 20054269 167208149 /nfs/dbraw/zinc/20/81/49/167208149.db2.gz ZMVVDZONFGZUNP-NSHDSACASA-N 2 1 199.342 0.622 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@H]1CNCC[NH+](C)C 20054269 167208152 /nfs/dbraw/zinc/20/81/52/167208152.db2.gz ZMVVDZONFGZUNP-NSHDSACASA-N 2 1 199.342 0.622 50 0 in-vitro ACAAMP CC[N@@H+]1CCC[C@H]1C[NH2+]C 90225623 167208173 /nfs/dbraw/zinc/20/81/73/167208173.db2.gz GIMRAHPLZCMZKC-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@H]1C[NH2+]C 90225623 167208179 /nfs/dbraw/zinc/20/81/79/167208179.db2.gz GIMRAHPLZCMZKC-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP CC[N@H+]1CCC[C@H](C[NH3+])C1 4342653 167208419 /nfs/dbraw/zinc/20/84/19/167208419.db2.gz SCANQRLZBOLBQD-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP CC[NH+]1CCN(CCCCC[NH3+])CC1 19794295 167213906 /nfs/dbraw/zinc/21/39/06/167213906.db2.gz NZQVWTWHWZATIY-UHFFFAOYSA-N 2 1 199.342 0.753 50 0 ACAAMP CC[NH+]1CCN(CCCC[NH3+])CC1 19272633 167214109 /nfs/dbraw/zinc/21/41/09/167214109.db2.gz PZNAFVVVYJUKGS-UHFFFAOYSA-N 2 1 185.315 0.363 50 0 in-vitro ACAAMP CC[N@H+]1CCO[C@H](CC[NH2+]C)C1 47218692 167216271 /nfs/dbraw/zinc/21/62/71/167216271.db2.gz CNPAEAMYBMQROY-SECBINFHSA-N 2 1 172.272 0.317 50 0 ACAAMP CC[N@H+]1CCO[C@@H](CC[NH2+]C)C1 47218694 167216586 /nfs/dbraw/zinc/21/65/86/167216586.db2.gz CNPAEAMYBMQROY-VIFPVBQESA-N 2 1 172.272 0.317 50 0 ACAAMP CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 238856501 167217420 /nfs/dbraw/zinc/21/74/20/167217420.db2.gz WBNBVPLRUBLMRL-HTQZYQBOSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@H](C[NH3+])C1 12404776 167217732 /nfs/dbraw/zinc/21/77/32/167217732.db2.gz NKJWMNYRBVKMJY-ZETCQYMHSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP CC[N@@H+]1CC[C@@H]([NH3+])C1 33426857 167217953 /nfs/dbraw/zinc/21/79/53/167217953.db2.gz GOLVGZOPWLLUSF-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@H]([NH3+])C1 33426857 167217956 /nfs/dbraw/zinc/21/79/56/167217956.db2.gz GOLVGZOPWLLUSF-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@H](C[NH2+]C)C1 12955250 167218653 /nfs/dbraw/zinc/21/86/53/167218653.db2.gz SYDGCOCEWURBCU-QMMMGPOBSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 100097 167219404 /nfs/dbraw/zinc/21/94/04/167219404.db2.gz CIMLWLBBMAKGIU-SECBINFHSA-N 2 1 154.257 0.692 50 0 ACAAMP CC[N@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49708946 167219705 /nfs/dbraw/zinc/21/97/05/167219705.db2.gz GQWULILKFDIEHL-RKDXNWHRSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49708959 167220301 /nfs/dbraw/zinc/22/03/01/167220301.db2.gz WBNBVPLRUBLMRL-JGVFFNPUSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 101429065 167220950 /nfs/dbraw/zinc/22/09/50/167220950.db2.gz GQWULILKFDIEHL-DTWKUNHWSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@@H](CC[NH3+])C1 42784370 167220960 /nfs/dbraw/zinc/22/09/60/167220960.db2.gz VIMROESUSPPGCT-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 ACAAMP CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 100093 167221363 /nfs/dbraw/zinc/22/13/63/167221363.db2.gz CIMLWLBBMAKGIU-VIFPVBQESA-N 2 1 154.257 0.692 50 0 ACAAMP CC[N@H+]1CC[C@H](CC[NH3+])C1 42784369 167221712 /nfs/dbraw/zinc/22/17/12/167221712.db2.gz VIMROESUSPPGCT-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 ACAAMP CC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49708945 167222518 /nfs/dbraw/zinc/22/25/18/167222518.db2.gz GQWULILKFDIEHL-BDAKNGLRSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP CC[N@@H+]1CC[C@H]([NH3+])C1 33426858 167223080 /nfs/dbraw/zinc/22/30/80/167223080.db2.gz GOLVGZOPWLLUSF-LURJTMIESA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@H]([NH3+])C1 33426858 167223082 /nfs/dbraw/zinc/22/30/82/167223082.db2.gz GOLVGZOPWLLUSF-LURJTMIESA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@H](C[NH2+]C)C1 2559651 167223559 /nfs/dbraw/zinc/22/35/59/167223559.db2.gz SYDGCOCEWURBCU-MRVPVSSYSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@H](C[NH3+])C1 2559720 167224318 /nfs/dbraw/zinc/22/43/18/167224318.db2.gz NKJWMNYRBVKMJY-SSDOTTSWSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 101429068 167224833 /nfs/dbraw/zinc/22/48/33/167224833.db2.gz GQWULILKFDIEHL-IUCAKERBSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 238856503 167224926 /nfs/dbraw/zinc/22/49/26/167224926.db2.gz WBNBVPLRUBLMRL-SFYZADRCSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49708957 167225373 /nfs/dbraw/zinc/22/53/73/167225373.db2.gz WBNBVPLRUBLMRL-YUMQZZPRSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 101662427 167226294 /nfs/dbraw/zinc/22/62/94/167226294.db2.gz FHOZBMFXDBJVBS-RQJHMYQMSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP CC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 169617475 167226677 /nfs/dbraw/zinc/22/66/77/167226677.db2.gz FHOZBMFXDBJVBS-BQBZGAKWSA-N 2 1 128.219 0.285 50 0 ACAAMP CC[N@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2O 22688793 167227167 /nfs/dbraw/zinc/22/71/67/167227167.db2.gz FZZHCHHISSHTAE-FGWVZKOKSA-N 2 1 198.310 0.299 50 0 ACAAMP CC[N@@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2O 22688793 167227170 /nfs/dbraw/zinc/22/71/70/167227170.db2.gz FZZHCHHISSHTAE-FGWVZKOKSA-N 2 1 198.310 0.299 50 0 ACAAMP CC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 74941859 167228068 /nfs/dbraw/zinc/22/80/68/167228068.db2.gz FHOZBMFXDBJVBS-NKWVEPMBSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP CC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 74941861 167229471 /nfs/dbraw/zinc/22/94/71/167229471.db2.gz FHOZBMFXDBJVBS-RNFRBKRXSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP CC[NH2+]C1CC[NH+](C)CC1 19439814 167258111 /nfs/dbraw/zinc/25/81/11/167258111.db2.gz GJCMPLHRWWWPHN-UHFFFAOYSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP CC[NH2+]CC[NH2+]CC 19366278 167265290 /nfs/dbraw/zinc/26/52/90/167265290.db2.gz CJKRXEBLWJVYJD-UHFFFAOYSA-N 2 1 116.208 0.205 50 0 in-vitro ACAAMP CC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 19091624 167271265 /nfs/dbraw/zinc/27/12/65/167271265.db2.gz JMAGSGRQNWLQKT-VIFPVBQESA-N 2 1 156.273 0.938 50 0 in-vitro ACAAMP CC[NH2+]C[C@@H]1CC[N@@H+](C)C1 19091631 167272723 /nfs/dbraw/zinc/27/27/23/167272723.db2.gz IIZVKRZQUGSTEX-QMMMGPOBSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP CC[NH2+]C[C@H]1CC[N@@H+](C)C1 19091634 167273345 /nfs/dbraw/zinc/27/33/45/167273345.db2.gz IIZVKRZQUGSTEX-MRVPVSSYSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP CC[NH2+]C[C@H]1CC[N@@H+](CC)C1 19091627 167275404 /nfs/dbraw/zinc/27/54/04/167275404.db2.gz JMAGSGRQNWLQKT-SECBINFHSA-N 2 1 156.273 0.938 50 0 in-vitro ACAAMP CC[NH2+][C@@H]1CCC[NH2+]C1 43323615 167290063 /nfs/dbraw/zinc/29/00/63/167290063.db2.gz FUTMGJAGTIOOIF-SSDOTTSWSA-N 2 1 128.219 0.348 50 0 ACAAMP CC[N@H+]1CCC[C@H](C[NH2+]C)C1 11888619 167208811 /nfs/dbraw/zinc/20/88/11/167208811.db2.gz CWENJDZQKVBYRM-SECBINFHSA-N 2 1 156.273 0.938 50 0 in-vitro ACAAMP CCOC(=O)[C@@H]([NH3+])CCCC[NH3+] 1631425 167346589 /nfs/dbraw/zinc/34/65/89/167346589.db2.gz CZEPJJXZASVXQF-ZETCQYMHSA-N 2 1 174.244 0.006 50 0 in-vitro ACAAMP CCc1[nH+]ccn1CC[NH3+] 34925781 167781371 /nfs/dbraw/zinc/78/13/71/167781371.db2.gz BOANVMYDGKUJAC-UHFFFAOYSA-N 2 1 139.202 0.404 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H](C2CC[NH2+]CC2)C1 71750055 167920950 /nfs/dbraw/zinc/92/09/50/167920950.db2.gz HJSRDORSYFMKLS-SNVBAGLBSA-N 2 1 168.284 0.938 50 0 ACAAMP C[N@H+]1CC[C@@H](CC[NH3+])C1 20440493 167922957 /nfs/dbraw/zinc/92/29/57/167922957.db2.gz CQGLYACIZMXCQF-SSDOTTSWSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP C[N@@H+]1C[C@]2(C)C[NH2+]C[C@](C)(C1)C2 54956843 167943949 /nfs/dbraw/zinc/94/39/49/167943949.db2.gz MABDHNXQYBSZCB-AOOOYVTPSA-N 2 1 168.284 0.938 50 0 biogenic,in-vitro ACAAMP C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 42784355 168000545 /nfs/dbraw/zinc/00/05/45/168000545.db2.gz OTGQOYFNOJVJLS-VIFPVBQESA-N 2 1 156.273 0.938 50 0 ACAAMP C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 42784356 168000624 /nfs/dbraw/zinc/00/06/24/168000624.db2.gz OTGQOYFNOJVJLS-SECBINFHSA-N 2 1 156.273 0.938 50 0 ACAAMP C[NH2+]CCn1cc[nH+]c1C 6667697 168003399 /nfs/dbraw/zinc/00/33/99/168003399.db2.gz PJPVGDRFDSHWPJ-UHFFFAOYSA-N 2 1 139.202 0.411 50 0 in-vitro ACAAMP C[NH2+]C[C@@H](C)[NH+]1CCCC1 22073558 168003589 /nfs/dbraw/zinc/00/35/89/168003589.db2.gz ICMKVQKZELETEM-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]([NH3+])Cc1ccccc1 34124459 168005173 /nfs/dbraw/zinc/00/51/73/168005173.db2.gz REGVHZUNENZGJG-JTQLQIEISA-N 2 1 164.252 0.776 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOC)C1 19088914 168006549 /nfs/dbraw/zinc/00/65/49/168006549.db2.gz PJCPPFOHZHGUJK-JTQLQIEISA-N 2 1 186.299 0.564 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CC[N@@H+](C)C1(C)C 67425178 168006693 /nfs/dbraw/zinc/00/66/93/168006693.db2.gz WZIIYQYDVDZSFI-QMMMGPOBSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCCC[NH2+]1 39167992 168006725 /nfs/dbraw/zinc/00/67/25/168006725.db2.gz MGOVUZGBXAFMCY-ZETCQYMHSA-N 2 1 128.219 0.348 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 2559684 168007103 /nfs/dbraw/zinc/00/71/03/168007103.db2.gz OUBNEVZXIXKNJE-QMMMGPOBSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CC[N@@H+](C)C1 4384256 168007434 /nfs/dbraw/zinc/00/74/34/168007434.db2.gz ZLDWGNZSKNMPRQ-ZETCQYMHSA-N 2 1 128.219 0.158 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCC[N@@H+]1C 85588039 168007468 /nfs/dbraw/zinc/00/74/68/168007468.db2.gz VAGHQPQYMACYDU-ZETCQYMHSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCC[N@H+]1C 85588039 168007470 /nfs/dbraw/zinc/00/74/70/168007470.db2.gz VAGHQPQYMACYDU-ZETCQYMHSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CC[N@@H+](CCOC)C1 11891866 168007679 /nfs/dbraw/zinc/00/76/79/168007679.db2.gz NSEJMPYQHVGIAC-VIFPVBQESA-N 2 1 172.272 0.174 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 11891824 168007991 /nfs/dbraw/zinc/00/79/91/168007991.db2.gz IGVKUZDVGAUFDP-VIFPVBQESA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 98113854 168008747 /nfs/dbraw/zinc/00/87/47/168008747.db2.gz XKNFOLBRZXMDNP-MRVPVSSYSA-N 2 1 165.240 0.665 50 0 in-vitro ACAAMP C[NH2+]C[C@@]1(C)CC[N@@H+](C)C1 19088218 168009174 /nfs/dbraw/zinc/00/91/74/168009174.db2.gz VOBHWILMARPNBN-MRVPVSSYSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 98113852 168009400 /nfs/dbraw/zinc/00/94/00/168009400.db2.gz IAEJJRGJTKDCAA-QMMMGPOBSA-N 2 1 165.240 0.665 50 0 ACAAMP C[NH2+]C[C@H](C)[NH+]1CCCC1 22073560 168009571 /nfs/dbraw/zinc/00/95/71/168009571.db2.gz ICMKVQKZELETEM-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP C[NH2+]C[C@H]([NH3+])Cc1ccccc1 34124458 168010788 /nfs/dbraw/zinc/01/07/88/168010788.db2.gz REGVHZUNENZGJG-SNVBAGLBSA-N 2 1 164.252 0.776 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCC[N@@H+](C)C1 12370781 168012063 /nfs/dbraw/zinc/01/20/63/168012063.db2.gz OUBNEVZXIXKNJE-MRVPVSSYSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCC[N@@H+](CCOC)C1 19088917 168012113 /nfs/dbraw/zinc/01/21/13/168012113.db2.gz PJCPPFOHZHGUJK-SNVBAGLBSA-N 2 1 186.299 0.564 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCC[N@@H+]1C 85588040 168013019 /nfs/dbraw/zinc/01/30/19/168013019.db2.gz VAGHQPQYMACYDU-SSDOTTSWSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCC[N@H+]1C 85588040 168013021 /nfs/dbraw/zinc/01/30/21/168013021.db2.gz VAGHQPQYMACYDU-SSDOTTSWSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCCC[NH2+]1 39205436 168013267 /nfs/dbraw/zinc/01/32/67/168013267.db2.gz MGOVUZGBXAFMCY-SSDOTTSWSA-N 2 1 128.219 0.348 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CC[N@@H+](C)C1(C)C 67425180 168013854 /nfs/dbraw/zinc/01/38/54/168013854.db2.gz WZIIYQYDVDZSFI-MRVPVSSYSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP C[NH2+]C[C@]1(C)CC[N@@H+](C)C1 19088220 168013875 /nfs/dbraw/zinc/01/38/75/168013875.db2.gz VOBHWILMARPNBN-QMMMGPOBSA-N 2 1 142.246 0.548 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CC[N@@H+](C)C1 4384257 168013981 /nfs/dbraw/zinc/01/39/81/168013981.db2.gz ZLDWGNZSKNMPRQ-SSDOTTSWSA-N 2 1 128.219 0.158 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 2559644 168014209 /nfs/dbraw/zinc/01/42/09/168014209.db2.gz IGVKUZDVGAUFDP-SECBINFHSA-N 2 1 156.273 0.936 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 98113855 168014470 /nfs/dbraw/zinc/01/44/70/168014470.db2.gz XKNFOLBRZXMDNP-QMMMGPOBSA-N 2 1 165.240 0.665 50 0 in-vitro ACAAMP C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 98113853 168014594 /nfs/dbraw/zinc/01/45/94/168014594.db2.gz IAEJJRGJTKDCAA-MRVPVSSYSA-N 2 1 165.240 0.665 50 0 ACAAMP C[NH2+]C[C@H]1CC[N@@H+](CCOC)C1 11891870 168014626 /nfs/dbraw/zinc/01/46/26/168014626.db2.gz NSEJMPYQHVGIAC-SECBINFHSA-N 2 1 172.272 0.174 50 0 in-vitro ACAAMP C[NH2+][C@@H](C[NH3+])Cc1ccccc1 50269907 168037922 /nfs/dbraw/zinc/03/79/22/168037922.db2.gz JPPCOPVFIUICMR-SNVBAGLBSA-N 2 1 164.252 0.776 50 0 in-vitro ACAAMP C[NH2+][C@@H]1CCCC[N@H+](C)C1 76575692 168040347 /nfs/dbraw/zinc/04/03/47/168040347.db2.gz UFELCDQAZUDZSM-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 ACAAMP C[NH2+][C@@H]1CCCC[N@@H+](C)C1 76575692 168040349 /nfs/dbraw/zinc/04/03/49/168040349.db2.gz UFELCDQAZUDZSM-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 ACAAMP C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 101428950 168040449 /nfs/dbraw/zinc/04/04/49/168040449.db2.gz RKKFHLLWOCTYCM-JGVFFNPUSA-N 2 1 142.246 0.546 50 0 in-vitro ACAAMP C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 238855297 168041503 /nfs/dbraw/zinc/04/15/03/168041503.db2.gz RKKFHLLWOCTYCM-HTQZYQBOSA-N 2 1 142.246 0.546 50 0 in-vitro ACAAMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 49694175 168041903 /nfs/dbraw/zinc/04/19/03/168041903.db2.gz AHEMOUYHIVTHGC-JGVFFNPUSA-N 2 1 142.246 0.689 50 0 in-vitro ACAAMP C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 49694174 168041944 /nfs/dbraw/zinc/04/19/44/168041944.db2.gz AHEMOUYHIVTHGC-HTQZYQBOSA-N 2 1 142.246 0.689 50 0 in-vitro ACAAMP C[NH2+][C@H](C[NH3+])Cc1ccccc1 50269906 168054539 /nfs/dbraw/zinc/05/45/39/168054539.db2.gz JPPCOPVFIUICMR-JTQLQIEISA-N 2 1 164.252 0.776 50 0 in-vitro ACAAMP C[NH2+][C@H]1CCCC[N@H+](C)C1 76575694 168054802 /nfs/dbraw/zinc/05/48/02/168054802.db2.gz UFELCDQAZUDZSM-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 ACAAMP C[NH2+][C@H]1CCCC[N@@H+](C)C1 76575694 168054804 /nfs/dbraw/zinc/05/48/04/168054804.db2.gz UFELCDQAZUDZSM-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 ACAAMP C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 49694177 168057116 /nfs/dbraw/zinc/05/71/16/168057116.db2.gz AHEMOUYHIVTHGC-YUMQZZPRSA-N 2 1 142.246 0.689 50 0 in-vitro ACAAMP C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 39079041 168057583 /nfs/dbraw/zinc/05/75/83/168057583.db2.gz RKKFHLLWOCTYCM-SFYZADRCSA-N 2 1 142.246 0.546 50 0 in-vitro ACAAMP C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 49694176 168057605 /nfs/dbraw/zinc/05/76/05/168057605.db2.gz AHEMOUYHIVTHGC-SFYZADRCSA-N 2 1 142.246 0.689 50 0 in-vitro ACAAMP C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 39079043 168058393 /nfs/dbraw/zinc/05/83/93/168058393.db2.gz RKKFHLLWOCTYCM-YUMQZZPRSA-N 2 1 142.246 0.546 50 0 in-vitro ACAAMP COC1CC[NH+](C(C)(C)C[NH3+])CC1 37265942 168146071 /nfs/dbraw/zinc/14/60/71/168146071.db2.gz GHVLLRIIFHCHJU-UHFFFAOYSA-N 2 1 186.299 0.835 50 0 in-vitro ACAAMP COCCC[NH2+]C1CC[NH+](C)CC1 2383000 168154195 /nfs/dbraw/zinc/15/41/95/168154195.db2.gz HZXTVHVKRLJKAY-UHFFFAOYSA-N 2 1 186.299 0.707 50 0 ACAAMP COCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 72121917 168159653 /nfs/dbraw/zinc/15/96/53/168159653.db2.gz BAFMMLHYUHAVQP-NSHDSACASA-N 2 1 198.310 0.708 50 0 ACAAMP COCC[N@@H+]1CCC[C@@H]1CN 19843276 168159753 /nfs/dbraw/zinc/15/97/53/168159753.db2.gz ZYIDBOZXSPLZTK-MRVPVSSYSA-N 2 1 158.245 0.056 50 0 ACAAMP COCC[N@H+]1CCC[C@@H]1CN 19843276 168159755 /nfs/dbraw/zinc/15/97/55/168159755.db2.gz ZYIDBOZXSPLZTK-MRVPVSSYSA-N 2 1 158.245 0.056 50 0 ACAAMP COCC[N@@H+]1CCC[C@@H]1C[NH3+] 19843276 168159757 /nfs/dbraw/zinc/15/97/57/168159757.db2.gz ZYIDBOZXSPLZTK-MRVPVSSYSA-N 2 1 158.245 0.056 50 0 ACAAMP COCC[N@H+]1CCC[C@@H]1C[NH3+] 19843276 168159758 /nfs/dbraw/zinc/15/97/58/168159758.db2.gz ZYIDBOZXSPLZTK-MRVPVSSYSA-N 2 1 158.245 0.056 50 0 ACAAMP COCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 82645416 168161041 /nfs/dbraw/zinc/16/10/41/168161041.db2.gz FONBDIUFZYWWLH-VHSXEESVSA-N 2 1 186.299 0.692 50 0 in-vitro ACAAMP COCC[N@H+]1CCC[C@@H](C[NH3+])C1 19088920 168161776 /nfs/dbraw/zinc/16/17/76/168161776.db2.gz RNIOWKZBHNSSMI-VIFPVBQESA-N 2 1 172.272 0.304 50 0 in-vitro ACAAMP COCC[N@H+]1CCC[C@H](C[NH3+])C1 19088922 168161863 /nfs/dbraw/zinc/16/18/63/168161863.db2.gz RNIOWKZBHNSSMI-SECBINFHSA-N 2 1 172.272 0.304 50 0 in-vitro ACAAMP COCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645418 168162056 /nfs/dbraw/zinc/16/20/56/168162056.db2.gz FONBDIUFZYWWLH-NXEZZACHSA-N 2 1 186.299 0.692 50 0 in-vitro ACAAMP COCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 72121916 168163199 /nfs/dbraw/zinc/16/31/99/168163199.db2.gz BAFMMLHYUHAVQP-LLVKDONJSA-N 2 1 198.310 0.708 50 0 ACAAMP COCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 82645420 168163305 /nfs/dbraw/zinc/16/33/05/168163305.db2.gz FONBDIUFZYWWLH-UWVGGRQHSA-N 2 1 186.299 0.692 50 0 in-vitro ACAAMP COCC[N@@H+]1CCC[C@H]1C[NH3+] 19843277 168163388 /nfs/dbraw/zinc/16/33/88/168163388.db2.gz ZYIDBOZXSPLZTK-QMMMGPOBSA-N 2 1 158.245 0.056 50 0 ACAAMP COCC[N@H+]1CCC[C@H]1C[NH3+] 19843277 168163389 /nfs/dbraw/zinc/16/33/89/168163389.db2.gz ZYIDBOZXSPLZTK-QMMMGPOBSA-N 2 1 158.245 0.056 50 0 ACAAMP COCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645422 168163922 /nfs/dbraw/zinc/16/39/22/168163922.db2.gz FONBDIUFZYWWLH-ZJUUUORDSA-N 2 1 186.299 0.692 50 0 in-vitro ACAAMP COCC[NH2+]C1CC[NH+](C)CC1 1529112 168166049 /nfs/dbraw/zinc/16/60/49/168166049.db2.gz YZYMRSNKBLZRJK-UHFFFAOYSA-N 2 1 172.272 0.317 50 0 in-vitro ACAAMP COC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 2897665 168180891 /nfs/dbraw/zinc/18/08/91/168180891.db2.gz POWQWFMHKZORAN-SECBINFHSA-N 2 1 186.299 0.705 50 0 ACAAMP COC[C@@H]1CCC[N@H+](CC[NH3+])C1 79391986 168186059 /nfs/dbraw/zinc/18/60/59/168186059.db2.gz OIPHPKRFFSSADF-SECBINFHSA-N 2 1 172.272 0.304 50 0 ACAAMP COC[C@@H]1CCC[N@@H+](CC[NH3+])C1 79391986 168186061 /nfs/dbraw/zinc/18/60/61/168186061.db2.gz OIPHPKRFFSSADF-SECBINFHSA-N 2 1 172.272 0.304 50 0 ACAAMP COC[C@@H]1CCC[N@@H+]1CC[NH3+] 79391972 168186245 /nfs/dbraw/zinc/18/62/45/168186245.db2.gz JYPKZINBXLSDDO-QMMMGPOBSA-N 2 1 158.245 0.056 50 0 ACAAMP COC[C@@H]1CCC[N@H+]1CC[NH3+] 79391972 168186247 /nfs/dbraw/zinc/18/62/47/168186247.db2.gz JYPKZINBXLSDDO-QMMMGPOBSA-N 2 1 158.245 0.056 50 0 ACAAMP COC[C@H](C)[NH2+]C1CC[NH+](C)CC1 2897664 168189075 /nfs/dbraw/zinc/18/90/75/168189075.db2.gz POWQWFMHKZORAN-VIFPVBQESA-N 2 1 186.299 0.705 50 0 ACAAMP COC[C@H]1CCC[N@H+](CC[NH3+])C1 79391987 168190835 /nfs/dbraw/zinc/19/08/35/168190835.db2.gz OIPHPKRFFSSADF-VIFPVBQESA-N 2 1 172.272 0.304 50 0 ACAAMP COC[C@H]1CCC[N@@H+](CC[NH3+])C1 79391987 168190836 /nfs/dbraw/zinc/19/08/36/168190836.db2.gz OIPHPKRFFSSADF-VIFPVBQESA-N 2 1 172.272 0.304 50 0 ACAAMP COC[C@H]1CCC[N@@H+]1CC[NH3+] 79391974 168192036 /nfs/dbraw/zinc/19/20/36/168192036.db2.gz JYPKZINBXLSDDO-MRVPVSSYSA-N 2 1 158.245 0.056 50 0 ACAAMP COC[C@H]1CCC[N@H+]1CC[NH3+] 79391974 168192037 /nfs/dbraw/zinc/19/20/37/168192037.db2.gz JYPKZINBXLSDDO-MRVPVSSYSA-N 2 1 158.245 0.056 50 0 ACAAMP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1N 33414679 168219133 /nfs/dbraw/zinc/21/91/33/168219133.db2.gz RCRIZLJMLOJTPO-YUMQZZPRSA-N 2 1 158.245 0.053 50 0 ACAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1N 33414679 168219135 /nfs/dbraw/zinc/21/91/35/168219135.db2.gz RCRIZLJMLOJTPO-YUMQZZPRSA-N 2 1 158.245 0.053 50 0 ACAAMP CO[C@H]1C[N@@H+](C(C)C)C[C@H]1N 244795259 168219485 /nfs/dbraw/zinc/21/94/85/168219485.db2.gz RCRIZLJMLOJTPO-SFYZADRCSA-N 2 1 158.245 0.053 50 0 ACAAMP CO[C@H]1C[N@H+](C(C)C)C[C@H]1N 244795259 168219486 /nfs/dbraw/zinc/21/94/86/168219486.db2.gz RCRIZLJMLOJTPO-SFYZADRCSA-N 2 1 158.245 0.053 50 0 ACAAMP COc1ccc(C[C@](C)([NH3+])C[NH3+])cc1 34423378 168250384 /nfs/dbraw/zinc/25/03/84/168250384.db2.gz MDBPTEVGPIYLQS-NSHDSACASA-N 2 1 194.278 0.914 50 0 in-vitro ACAAMP COc1ccc(C[C@@](C)([NH3+])C[NH3+])cc1 34423376 168251752 /nfs/dbraw/zinc/25/17/52/168251752.db2.gz MDBPTEVGPIYLQS-LLVKDONJSA-N 2 1 194.278 0.914 50 0 in-vitro ACAAMP CSCC[C@H]([NH3+])C[NH3+] 33882232 168302991 /nfs/dbraw/zinc/30/29/91/168302991.db2.gz JCPJXANXGBPYRU-YFKPBYRVSA-N 2 1 134.248 0.026 50 0 in-vitro ACAAMP C[C@@H](C[NH3+])[N@H+](C)C1CC1 37080619 168343580 /nfs/dbraw/zinc/34/35/80/168343580.db2.gz CJNQYMXCJLLYEA-LURJTMIESA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H](C[NH3+])[N@@H+](C)C1CC1 37080619 168343582 /nfs/dbraw/zinc/34/35/82/168343582.db2.gz CJNQYMXCJLLYEA-LURJTMIESA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H](C[NH3+])[NH+]1CCCC1 19735763 168344931 /nfs/dbraw/zinc/34/49/31/168344931.db2.gz GUHQLUWDOMXRGQ-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[C@@H](C[NH3+])[C@H]1CCC[N@H+]1C 82028004 168345353 /nfs/dbraw/zinc/34/53/53/168345353.db2.gz BDFFLNPSIJVLES-JGVFFNPUSA-N 2 1 142.246 0.675 50 0 in-vitro ACAAMP C[C@@H](C[NH3+])[C@@H]1CCC[N@H+]1C 82028002 168345665 /nfs/dbraw/zinc/34/56/65/168345665.db2.gz BDFFLNPSIJVLES-YUMQZZPRSA-N 2 1 142.246 0.675 50 0 in-vitro ACAAMP C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 35603686 168350296 /nfs/dbraw/zinc/35/02/96/168350296.db2.gz KJXCUZCROJYXOO-QMMMGPOBSA-N 2 1 172.272 0.051 50 0 in-vitro ACAAMP C[C@@H](F)C[NH+]1CCC([NH3+])CC1 95642799 168355841 /nfs/dbraw/zinc/35/58/41/168355841.db2.gz RMSWGBVNKLAMJW-SSDOTTSWSA-N 2 1 160.236 0.768 50 0 ACAAMP C[C@@H]([NH3+])C1=CC[N@@H+](C)CC1 95347905 168360167 /nfs/dbraw/zinc/36/01/67/168360167.db2.gz FGXZEDMDGLAUPT-SSDOTTSWSA-N 2 1 140.230 0.596 50 0 in-vitro ACAAMP C[C@@H]([NH3+])C[NH+]1CCCCC1 19358818 168362798 /nfs/dbraw/zinc/36/27/98/168362798.db2.gz ZFDABCDCTKLGOK-MRVPVSSYSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP C[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 37688242 168392255 /nfs/dbraw/zinc/39/22/55/168392255.db2.gz QTSRPCVMANIMGS-MRVPVSSYSA-N 2 1 172.272 0.051 50 0 in-vitro ACAAMP C[C@@H]1C[C@@H]([NH+]2CCCC2)C[NH2+]1 238850674 168466414 /nfs/dbraw/zinc/46/64/14/168466414.db2.gz CMBGIRGMEDANQP-RKDXNWHRSA-N 2 1 154.257 0.833 50 0 in-vitro ACAAMP Cc1[nH+]ccn1C[C@H](C)C[NH3+] 11735104 168973428 /nfs/dbraw/zinc/97/34/28/168973428.db2.gz MSJBNKMUDXAGCS-SSDOTTSWSA-N 2 1 153.229 0.786 50 0 in-vitro ACAAMP Cc1[nH+]ccn1CC[NH3+] 4453804 168974427 /nfs/dbraw/zinc/97/44/27/168974427.db2.gz QKVROWZQJVDFSO-UHFFFAOYSA-N 2 1 125.175 0.150 50 0 in-vitro ACAAMP Cn1cc[nH+]c1CCC[NH3+] 44279983 169050749 /nfs/dbraw/zinc/05/07/49/169050749.db2.gz RBLFLGWPHLVQCB-UHFFFAOYSA-N 2 1 139.202 0.311 50 0 ACAAMP Cn1cc[nH+]c1C[C@@H]1CCC[NH2+]C1 69029983 169050879 /nfs/dbraw/zinc/05/08/79/169050879.db2.gz BXKXDENMWGGULO-VIFPVBQESA-N 2 1 179.267 0.962 50 0 in-vitro ACAAMP Cn1cc[nH+]c1N1CCC[C@H]([NH3+])C1 50606871 169051876 /nfs/dbraw/zinc/05/18/76/169051876.db2.gz FUDUQFLCSOOKNQ-QMMMGPOBSA-N 2 1 180.255 0.348 50 0 ACAAMP Cn1cc[nH+]c1C1CC[NH2+]CC1 33487578 169051895 /nfs/dbraw/zinc/05/18/95/169051895.db2.gz RBCWEOIVHCTFFN-UHFFFAOYSA-N 2 1 165.240 0.887 50 0 in-vitro ACAAMP Cn1cc[nH+]c1C[C@H]1CCC[NH2+]C1 69029987 169052048 /nfs/dbraw/zinc/05/20/48/169052048.db2.gz BXKXDENMWGGULO-SECBINFHSA-N 2 1 179.267 0.962 50 0 in-vitro ACAAMP Cn1cc[nH+]c1N1CCC[C@@H]([NH3+])C1 50606872 169052051 /nfs/dbraw/zinc/05/20/51/169052051.db2.gz FUDUQFLCSOOKNQ-MRVPVSSYSA-N 2 1 180.255 0.348 50 0 ACAAMP Cn1cc[nH+]c1CC1CC[NH2+]CC1 68890489 169052249 /nfs/dbraw/zinc/05/22/49/169052249.db2.gz CNVSSLCZASAXNR-UHFFFAOYSA-N 2 1 179.267 0.962 50 0 in-vitro ACAAMP Cn1cc[nH+]c1N1CCC([NH3+])CC1 50605010 169052319 /nfs/dbraw/zinc/05/23/19/169052319.db2.gz NXRBGAITLVNBCF-UHFFFAOYSA-N 2 1 180.255 0.348 50 0 ACAAMP Cn1c[nH+]cc1[C@@H]1C[C@H]1[NH3+] 19116598 169058115 /nfs/dbraw/zinc/05/81/15/169058115.db2.gz OUDIBYCCQHARGQ-PHDIDXHHSA-N 2 1 137.186 0.235 50 0 ACAAMP Cn1c[nH+]cc1C1CC[NH2+]CC1 19686476 169058481 /nfs/dbraw/zinc/05/84/81/169058481.db2.gz GTVAWADYFXSYNA-UHFFFAOYSA-N 2 1 165.240 0.887 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CC[N@H+](C2CC2)C1 11891196 169216585 /nfs/dbraw/zinc/21/65/85/169216585.db2.gz SEWUODUTOWYMCK-SSDOTTSWSA-N 2 1 140.230 0.429 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccn2)C1 19480180 169216596 /nfs/dbraw/zinc/21/65/96/169216596.db2.gz OGCLVZXMPJFMIQ-SNVBAGLBSA-N 2 1 191.278 0.862 50 0 ACAAMP [NH3+]C[C@H]1C[C@H]2CCCC[N@H+]2C1 101419550 169216835 /nfs/dbraw/zinc/21/68/35/169216835.db2.gz XIGLLLYLIZSLNU-RKDXNWHRSA-N 2 1 154.257 0.820 50 0 in-vitro ACAAMP [NH3+]CCC1=CSC2=[NH+]CCCN12 49584765 169179038 /nfs/dbraw/zinc/17/90/38/169179038.db2.gz XIZHYBZMTMKWRR-UHFFFAOYSA-N 2 1 183.280 0.985 50 0 ACAAMP [NH3+]CCCC[N@H+]1CCC[C@H]1CO 42432744 169180285 /nfs/dbraw/zinc/18/02/85/169180285.db2.gz KVKGILOIRYSBOH-VIFPVBQESA-N 2 1 172.272 0.182 50 0 in-vitro ACAAMP [NH3+]CCCC[N@H+]1CCC[C@@H]1CO 42432743 169180558 /nfs/dbraw/zinc/18/05/58/169180558.db2.gz KVKGILOIRYSBOH-SECBINFHSA-N 2 1 172.272 0.182 50 0 in-vitro ACAAMP [NH3+]CCC[N@H+]1CCCC[C@@H]1CO 6855179 169181939 /nfs/dbraw/zinc/18/19/39/169181939.db2.gz XVLFXZIUUXPZHR-SECBINFHSA-N 2 1 172.272 0.182 50 0 in-vitro ACAAMP [NH3+]CCCCc1[nH]cc[nH+]1 39474862 169182308 /nfs/dbraw/zinc/18/23/08/169182308.db2.gz IMDBGSYBIGYHOE-UHFFFAOYSA-N 2 1 139.202 0.691 50 0 ACAAMP [NH3+]CCC[N@H+]1CCCC[C@H]1CO 6855176 169182486 /nfs/dbraw/zinc/18/24/86/169182486.db2.gz XVLFXZIUUXPZHR-VIFPVBQESA-N 2 1 172.272 0.182 50 0 in-vitro ACAAMP [NH3+]CCC[N@H+]1CCCOCC1 61914970 169182597 /nfs/dbraw/zinc/18/25/97/169182597.db2.gz VQNDWTGSBSDETB-UHFFFAOYSA-N 2 1 158.245 0.058 50 0 in-vitro ACAAMP [NH3+]CCC[NH2+]Cc1ccco1 19736924 169184123 /nfs/dbraw/zinc/18/41/23/169184123.db2.gz CJYLPHZWTNERHX-UHFFFAOYSA-N 2 1 154.213 0.718 50 0 ACAAMP [NH3+]CCCc1[nH]cc[nH+]1 36912373 169185625 /nfs/dbraw/zinc/18/56/25/169185625.db2.gz HQNOODJDSFSURF-UHFFFAOYSA-N 2 1 125.175 0.301 50 0 ACAAMP [NH3+]CC[NH+]1CCCC1 19230183 169186893 /nfs/dbraw/zinc/18/68/93/169186893.db2.gz WRXNJTBODVGDRY-UHFFFAOYSA-N 2 1 114.192 0.041 50 0 in-vitro ACAAMP [NH3+]CC[NH+]1CCCCC1 95071910 169187210 /nfs/dbraw/zinc/18/72/10/169187210.db2.gz CJNRGSHEMCMUOE-UHFFFAOYSA-N 2 1 128.219 0.431 50 0 in-vitro ACAAMP [NH3+]CC[NH2+]C1CCCC1 19364305 169190045 /nfs/dbraw/zinc/19/00/45/169190045.db2.gz PBGOLOVCXMHOLG-UHFFFAOYSA-N 2 1 128.219 0.477 50 0 in-vitro ACAAMP [NH3+]CC[NH2+]CCc1ccccc1 19365519 169190127 /nfs/dbraw/zinc/19/01/27/169190127.db2.gz CPCHVLBDLZEKTD-UHFFFAOYSA-N 2 1 164.252 0.777 50 0 ACAAMP [NH3+]CC[NH2+]CCc1ccncc1 39712803 169190622 /nfs/dbraw/zinc/19/06/22/169190622.db2.gz JLKUJTQWPMGUME-UHFFFAOYSA-N 2 1 165.240 0.172 50 0 ACAAMP [NH3+]CC[NH2+]C1CCC1 44481721 169190766 /nfs/dbraw/zinc/19/07/66/169190766.db2.gz WSQYKRGHTOZSOZ-UHFFFAOYSA-N 2 1 114.192 0.087 50 0 ACAAMP [NH3+]CC[NH2+]C1CCCCC1 22591305 169190814 /nfs/dbraw/zinc/19/08/14/169190814.db2.gz FCZQPWVILDWRBN-UHFFFAOYSA-N 2 1 142.246 0.867 50 0 ACAAMP [NH3+]CCc1c[nH+]c2n1CCCC2 96862376 169199355 /nfs/dbraw/zinc/19/93/55/169199355.db2.gz UFNKYWRTPYMWEP-UHFFFAOYSA-N 2 1 165.240 0.721 50 0 ACAAMP [NH3+]CCc1[nH]c2c([nH+]1)CCCC2 49804843 169200902 /nfs/dbraw/zinc/20/09/02/169200902.db2.gz HPJUTPSEERFSIL-UHFFFAOYSA-N 2 1 165.240 0.790 50 0 ACAAMP [NH3+]CCn1cc[nH+]c1C1CC1 18001619 169201627 /nfs/dbraw/zinc/20/16/27/169201627.db2.gz YDIROQOZBKXIMD-UHFFFAOYSA-N 2 1 151.213 0.719 50 0 ACAAMP [NH3+]C[C@@H]([NH3+])C1CCC1 82707479 169203100 /nfs/dbraw/zinc/20/31/00/169203100.db2.gz SVDZLAYWEAZOOK-ZCFIWIBFSA-N 2 1 114.192 0.073 50 0 in-vitro ACAAMP [NH3+]C[C@@H]([NH3+])C1CCCCC1 35677023 169203425 /nfs/dbraw/zinc/20/34/25/169203425.db2.gz ZGITYUSQHMGSRF-MRVPVSSYSA-N 2 1 142.246 0.853 50 0 in-vitro ACAAMP [NH3+]C[C@@H]([NH3+])C1CCCC1 44471946 169204049 /nfs/dbraw/zinc/20/40/49/169204049.db2.gz XTMAWRIDJLIMJT-SSDOTTSWSA-N 2 1 128.219 0.463 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CCCC[N@@H+]1C1CC1 84426859 169206025 /nfs/dbraw/zinc/20/60/25/169206025.db2.gz FXXHCJDYRWLBBA-VIFPVBQESA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CCCC[N@H+]1C1CC1 84426859 169206026 /nfs/dbraw/zinc/20/60/26/169206026.db2.gz FXXHCJDYRWLBBA-VIFPVBQESA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CCCC[NH2+]1 38232977 169206230 /nfs/dbraw/zinc/20/62/30/169206230.db2.gz RHPBLLCTOLJFPH-LURJTMIESA-N 2 1 114.192 0.087 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CCCCC[NH2+]1 39206952 169206755 /nfs/dbraw/zinc/20/67/55/169206755.db2.gz QCSYMWLANYRIAC-ZETCQYMHSA-N 2 1 128.219 0.477 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 37156981 169207833 /nfs/dbraw/zinc/20/78/33/169207833.db2.gz DDIJIFBJNGYVQA-UWVGGRQHSA-N 2 1 184.283 0.446 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CC[N@H+](C2CC2)C1 11891193 169207984 /nfs/dbraw/zinc/20/79/84/169207984.db2.gz SEWUODUTOWYMCK-ZETCQYMHSA-N 2 1 140.230 0.429 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccn2)C1 19480178 169208218 /nfs/dbraw/zinc/20/82/18/169208218.db2.gz OGCLVZXMPJFMIQ-JTQLQIEISA-N 2 1 191.278 0.862 50 0 ACAAMP [NH3+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1 37156977 169208369 /nfs/dbraw/zinc/20/83/69/169208369.db2.gz DDIJIFBJNGYVQA-VHSXEESVSA-N 2 1 184.283 0.446 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1CCC[N@H+](C2CCOCC2)C1 44528005 169208811 /nfs/dbraw/zinc/20/88/11/169208811.db2.gz BWICHFBSFLKTIW-JTQLQIEISA-N 2 1 198.310 0.836 50 0 ACAAMP [NH3+]C[C@@H]1CCc2[nH+]c[nH]c2C1 82407964 169209498 /nfs/dbraw/zinc/20/94/98/169209498.db2.gz RHZOREWZVFCKGB-ZCFIWIBFSA-N 2 1 151.213 0.473 50 0 ACAAMP [NH3+]C[C@@H]1CCc2[nH]c[nH+]c2C1 82407964 169209499 /nfs/dbraw/zinc/20/94/99/169209499.db2.gz RHZOREWZVFCKGB-ZCFIWIBFSA-N 2 1 151.213 0.473 50 0 ACAAMP [NH3+]C[C@@H]1CCc2[nH+]ccn2C1 98095702 169209735 /nfs/dbraw/zinc/20/97/35/169209735.db2.gz IVWNDDHEYWZOHD-ZETCQYMHSA-N 2 1 151.213 0.404 50 0 ACAAMP [NH3+]C[C@@H]1CCn2cc[nH+]c2C1 84302897 169209941 /nfs/dbraw/zinc/20/99/41/169209941.db2.gz UJGPGNOWRZXMEW-SSDOTTSWSA-N 2 1 151.213 0.404 50 0 in-vitro ACAAMP [NH3+]C[C@@H]1C[C@H]2CCCC[N@H+]2C1 101419546 169210631 /nfs/dbraw/zinc/21/06/31/169210631.db2.gz XIGLLLYLIZSLNU-DTWKUNHWSA-N 2 1 154.257 0.820 50 0 in-vitro ACAAMP [NH3+]C[C@H]([NH3+])C1CCCC1 44471949 169211466 /nfs/dbraw/zinc/21/14/66/169211466.db2.gz XTMAWRIDJLIMJT-ZETCQYMHSA-N 2 1 128.219 0.463 50 0 in-vitro ACAAMP [NH3+]C[C@H]([NH3+])C1CCC1 82707480 169211648 /nfs/dbraw/zinc/21/16/48/169211648.db2.gz SVDZLAYWEAZOOK-LURJTMIESA-N 2 1 114.192 0.073 50 0 in-vitro ACAAMP [NH3+]C[C@H]([NH3+])C1CCCCC1 35677024 169212135 /nfs/dbraw/zinc/21/21/35/169212135.db2.gz ZGITYUSQHMGSRF-QMMMGPOBSA-N 2 1 142.246 0.853 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCC[N@H+](C2CCOCC2)C1 44528004 169214763 /nfs/dbraw/zinc/21/47/63/169214763.db2.gz BWICHFBSFLKTIW-SNVBAGLBSA-N 2 1 198.310 0.836 50 0 ACAAMP [NH3+]C[C@H]1CCCC[N@@H+]1C1CC1 84426860 169214849 /nfs/dbraw/zinc/21/48/49/169214849.db2.gz FXXHCJDYRWLBBA-SECBINFHSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCCC[N@H+]1C1CC1 84426860 169214850 /nfs/dbraw/zinc/21/48/50/169214850.db2.gz FXXHCJDYRWLBBA-SECBINFHSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCCC[NH2+]1 38232978 169214951 /nfs/dbraw/zinc/21/49/51/169214951.db2.gz RHPBLLCTOLJFPH-ZCFIWIBFSA-N 2 1 114.192 0.087 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCCCC[NH2+]1 39206951 169215502 /nfs/dbraw/zinc/21/55/02/169215502.db2.gz QCSYMWLANYRIAC-SSDOTTSWSA-N 2 1 128.219 0.477 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1 37156975 169215773 /nfs/dbraw/zinc/21/57/73/169215773.db2.gz DDIJIFBJNGYVQA-NXEZZACHSA-N 2 1 184.283 0.446 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1 37156979 169215812 /nfs/dbraw/zinc/21/58/12/169215812.db2.gz DDIJIFBJNGYVQA-ZJUUUORDSA-N 2 1 184.283 0.446 50 0 in-vitro ACAAMP Nc1cc[nH+]cc1C[NH3+] 35570038 169227347 /nfs/dbraw/zinc/22/73/47/169227347.db2.gz XCQPJSGTODTGRN-UHFFFAOYSA-N 2 1 123.159 0.123 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC2CC[NH+](CC2)C1 39078739 169251286 /nfs/dbraw/zinc/25/12/86/169251286.db2.gz UALFYMMGEYDHHJ-MRVPVSSYSA-N 2 1 140.230 0.429 50 0 ACAAMP [NH3+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 75541976 169252577 /nfs/dbraw/zinc/25/25/77/169252577.db2.gz SHDAASRRPFQHIB-BDAKNGLRSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 75541976 169252578 /nfs/dbraw/zinc/25/25/78/169252578.db2.gz SHDAASRRPFQHIB-BDAKNGLRSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 40431190 169253077 /nfs/dbraw/zinc/25/30/77/169253077.db2.gz YLYKJTJBPJRUIL-ZJUUUORDSA-N 2 1 184.283 0.323 50 0 ACAAMP [NH3+][C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 40431186 169253223 /nfs/dbraw/zinc/25/32/23/169253223.db2.gz YLYKJTJBPJRUIL-NXEZZACHSA-N 2 1 184.283 0.323 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+](CC2CCC2)C1 37242470 169253855 /nfs/dbraw/zinc/25/38/55/169253855.db2.gz MLUPXTWMGVBYCF-SECBINFHSA-N 2 1 154.257 0.820 50 0 ACAAMP [NH3+][C@@H]1CC[N@@H+](CC2CCC2)C1 37242470 169253856 /nfs/dbraw/zinc/25/38/56/169253856.db2.gz MLUPXTWMGVBYCF-SECBINFHSA-N 2 1 154.257 0.820 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+]2CCC[C@@H]12 22923629 169253869 /nfs/dbraw/zinc/25/38/69/169253869.db2.gz NEZWZGLYKBFCQX-RQJHMYQMSA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@@H+](C2CC2)C1 31996438 169253901 /nfs/dbraw/zinc/25/39/01/169253901.db2.gz PISMTKYGUDKXTE-ZCFIWIBFSA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+](C2CC2)C1 31996438 169253902 /nfs/dbraw/zinc/25/39/02/169253902.db2.gz PISMTKYGUDKXTE-ZCFIWIBFSA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 18505213 169253932 /nfs/dbraw/zinc/25/39/32/169253932.db2.gz UYVABMTWTWPWFG-HTQZYQBOSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@@H]1CCOC[C@@H]1[NH+]1CCCC1 36305166 169253951 /nfs/dbraw/zinc/25/39/51/169253951.db2.gz RFMIKYYMIRHJKS-BDAKNGLRSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+](CC2CC2)C1 22942086 169254093 /nfs/dbraw/zinc/25/40/93/169254093.db2.gz WWZAQUJXWBZQLQ-MRVPVSSYSA-N 2 1 140.230 0.429 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@@H+](CC2CC2)C1 22942086 169254094 /nfs/dbraw/zinc/25/40/94/169254094.db2.gz WWZAQUJXWBZQLQ-MRVPVSSYSA-N 2 1 140.230 0.429 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+](CC2CCOCC2)C1 52174690 169254167 /nfs/dbraw/zinc/25/41/67/169254167.db2.gz KEACVSCSNAGWGQ-SNVBAGLBSA-N 2 1 184.283 0.446 50 0 ACAAMP [NH3+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 52174690 169254168 /nfs/dbraw/zinc/25/41/68/169254168.db2.gz KEACVSCSNAGWGQ-SNVBAGLBSA-N 2 1 184.283 0.446 50 0 ACAAMP [NH3+][C@@H]1CC[N@@H+](C2CCC2)C1 52210725 169254260 /nfs/dbraw/zinc/25/42/60/169254260.db2.gz CBUJLUQYQRTKEF-SSDOTTSWSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+](C2CCC2)C1 52210725 169254261 /nfs/dbraw/zinc/25/42/61/169254261.db2.gz CBUJLUQYQRTKEF-SSDOTTSWSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@H]2C1 34689345 169254329 /nfs/dbraw/zinc/25/43/29/169254329.db2.gz QTYYLKWVPVUNET-BDAKNGLRSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+]2CCC[C@H]2C1 34679258 169254336 /nfs/dbraw/zinc/25/43/36/169254336.db2.gz UYVABMTWTWPWFG-SFYZADRCSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@@H+](C2CCOCC2)C1 36319878 169254356 /nfs/dbraw/zinc/25/43/56/169254356.db2.gz ZFQDRISFVOYKQU-MRVPVSSYSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+](C2CCOCC2)C1 36319878 169254357 /nfs/dbraw/zinc/25/43/57/169254357.db2.gz ZFQDRISFVOYKQU-MRVPVSSYSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@@H]2C1 19483461 169254642 /nfs/dbraw/zinc/25/46/42/169254642.db2.gz QTYYLKWVPVUNET-RKDXNWHRSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@@H]12 25877112 169254719 /nfs/dbraw/zinc/25/47/19/169254719.db2.gz RBFAPBHHGYLKEK-SFYZADRCSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@@H]1CCOC[C@H]1[NH+]1CCCC1 36305163 169254818 /nfs/dbraw/zinc/25/48/18/169254818.db2.gz RFMIKYYMIRHJKS-RKDXNWHRSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@@H]1CC[N@@H+](C2CCCC2)C1 31996466 169254933 /nfs/dbraw/zinc/25/49/33/169254933.db2.gz MKSRQKFKDYWWBT-MRVPVSSYSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+](C2CCCC2)C1 31996466 169254935 /nfs/dbraw/zinc/25/49/35/169254935.db2.gz MKSRQKFKDYWWBT-MRVPVSSYSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+]2CCC[C@H]12 22923624 169255054 /nfs/dbraw/zinc/25/50/54/169255054.db2.gz NEZWZGLYKBFCQX-RNFRBKRXSA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[C@@H]([NH+]2CCOCC2)C1 71496557 169256013 /nfs/dbraw/zinc/25/60/13/169256013.db2.gz ZNWJKNHRXMWQRB-RKDXNWHRSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@@H]1CC[C@H]([NH+]2CCOCC2)C1 71496555 169256050 /nfs/dbraw/zinc/25/60/50/169256050.db2.gz ZNWJKNHRXMWQRB-BDAKNGLRSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@@H]1CCc2[nH+]c[nH]c2C1 5116804 169256563 /nfs/dbraw/zinc/25/65/63/169256563.db2.gz XPJLVDOGXOROPC-RXMQYKEDSA-N 2 1 137.186 0.226 50 0 in-vitro ACAAMP [NH3+][C@@H]1CCc2[nH+]ccn2C1 18554783 169256575 /nfs/dbraw/zinc/25/65/75/169256575.db2.gz DMGFKLHPPROGNY-ZCFIWIBFSA-N 2 1 137.186 0.157 50 0 in-vitro ACAAMP N[C@@H]1C[NH2+]Cc2ccccc21 20971893 169256728 /nfs/dbraw/zinc/25/67/28/169256728.db2.gz NMDRYJXTOWQUBS-SECBINFHSA-N 2 1 148.209 0.790 50 0 ACAAMP [NH3+][C@@H]1CCc2c[nH+]cn2C1 18554741 169257133 /nfs/dbraw/zinc/25/71/33/169257133.db2.gz IRSOKACBCIJZAV-ZCFIWIBFSA-N 2 1 137.186 0.157 50 0 in-vitro ACAAMP [NH3+][C@@H]1C[NH+]2CCC1CC2 19202661 169257194 /nfs/dbraw/zinc/25/71/94/169257194.db2.gz REUAXQZIRFXQML-SSDOTTSWSA-N 2 1 126.203 0.039 50 0 in-vitro ACAAMP [NH3+][C@@H]1CCn2c[nH+]cc2C1 18558473 169257260 /nfs/dbraw/zinc/25/72/60/169257260.db2.gz JAYLQXDSOQUHMZ-ZCFIWIBFSA-N 2 1 137.186 0.157 50 0 in-vitro ACAAMP N[C@@H]1COC[C@H]1[NH+]1CCCCC1 83324576 169257526 /nfs/dbraw/zinc/25/75/26/169257526.db2.gz LIVAHWSHBPBTDT-RKDXNWHRSA-N 2 1 170.256 0.198 50 0 ACAAMP N[C@@H]1C[C@@H]2CCCC[N@H+]2C1 68590785 169258644 /nfs/dbraw/zinc/25/86/44/169258644.db2.gz DNWGGLVQANNAHV-SFYZADRCSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@@H]1C[C@@H]2CCCC[N@@H+]2C1 68590785 169258646 /nfs/dbraw/zinc/25/86/46/169258646.db2.gz DNWGGLVQANNAHV-SFYZADRCSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@@H]1C[C@@H]2CCCC[N@H+]2C1 68590785 169258647 /nfs/dbraw/zinc/25/86/47/169258647.db2.gz DNWGGLVQANNAHV-SFYZADRCSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP N[C@@H]1C[C@H]2CCCC[N@H+]2C1 101383615 169260121 /nfs/dbraw/zinc/26/01/21/169260121.db2.gz DNWGGLVQANNAHV-HTQZYQBOSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@@H]1C[C@H]2CCCC[N@@H+]2C1 101383615 169260122 /nfs/dbraw/zinc/26/01/22/169260122.db2.gz DNWGGLVQANNAHV-HTQZYQBOSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@@H]1C[C@H]2CCCC[N@H+]2C1 101383615 169260123 /nfs/dbraw/zinc/26/01/23/169260123.db2.gz DNWGGLVQANNAHV-HTQZYQBOSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@H]1CC2CC[NH+](CC2)C1 39078737 169270652 /nfs/dbraw/zinc/27/06/52/169270652.db2.gz UALFYMMGEYDHHJ-QMMMGPOBSA-N 2 1 140.230 0.429 50 0 ACAAMP [NH3+][C@H]1CCC[N@H+]2CCC[C@@H]12 82410163 169271808 /nfs/dbraw/zinc/27/18/08/169271808.db2.gz SHXUPEAVNUWGDU-YUMQZZPRSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@H]1CCC[N@@H+]2CCCC[C@H]12 39080635 169271847 /nfs/dbraw/zinc/27/18/47/169271847.db2.gz SHDAASRRPFQHIB-DTWKUNHWSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CCC[N@H+]2CCCC[C@H]12 39080635 169271849 /nfs/dbraw/zinc/27/18/49/169271849.db2.gz SHDAASRRPFQHIB-DTWKUNHWSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 39080633 169272132 /nfs/dbraw/zinc/27/21/32/169272132.db2.gz SHDAASRRPFQHIB-IUCAKERBSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CCC[N@H+]2CCCC[C@@H]12 39080633 169272134 /nfs/dbraw/zinc/27/21/34/169272134.db2.gz SHDAASRRPFQHIB-IUCAKERBSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 40431184 169273480 /nfs/dbraw/zinc/27/34/80/169273480.db2.gz YLYKJTJBPJRUIL-VHSXEESVSA-N 2 1 184.283 0.323 50 0 ACAAMP [NH3+][C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 40431188 169273744 /nfs/dbraw/zinc/27/37/44/169273744.db2.gz YLYKJTJBPJRUIL-UWVGGRQHSA-N 2 1 184.283 0.323 50 0 ACAAMP [NH3+][C@H]1CC[N@H+]2CCCC[C@@H]12 25877115 169274112 /nfs/dbraw/zinc/27/41/12/169274112.db2.gz RBFAPBHHGYLKEK-YUMQZZPRSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@H]1CC[N@@H+](C2CC2)C1 31996442 169274239 /nfs/dbraw/zinc/27/42/39/169274239.db2.gz PISMTKYGUDKXTE-LURJTMIESA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[N@H+](C2CC2)C1 31996442 169274240 /nfs/dbraw/zinc/27/42/40/169274240.db2.gz PISMTKYGUDKXTE-LURJTMIESA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[N@H+]2CCCC[C@H]2C1 34689344 169274656 /nfs/dbraw/zinc/27/46/56/169274656.db2.gz QTYYLKWVPVUNET-IUCAKERBSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CCOC[C@H]1[NH+]1CCCC1 36305158 169274671 /nfs/dbraw/zinc/27/46/71/169274671.db2.gz RFMIKYYMIRHJKS-DTWKUNHWSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@H]1CC[N@@H+](C2CCOCC2)C1 36319879 169274811 /nfs/dbraw/zinc/27/48/11/169274811.db2.gz ZFQDRISFVOYKQU-QMMMGPOBSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@H]1CC[N@H+](C2CCOCC2)C1 36319879 169274812 /nfs/dbraw/zinc/27/48/12/169274812.db2.gz ZFQDRISFVOYKQU-QMMMGPOBSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@H]1CC[N@H+]2CCC[C@@H]12 23352117 169274819 /nfs/dbraw/zinc/27/48/19/169274819.db2.gz NEZWZGLYKBFCQX-BQBZGAKWSA-N 2 1 126.203 0.182 50 0 in-vitro ACAAMP [NH3+][C@H]1CCOC[C@@H]1[NH+]1CCCC1 36305161 169274966 /nfs/dbraw/zinc/27/49/66/169274966.db2.gz RFMIKYYMIRHJKS-IUCAKERBSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@H]1CC[N@@H+](C2CCC2)C1 52210722 169275018 /nfs/dbraw/zinc/27/50/18/169275018.db2.gz CBUJLUQYQRTKEF-ZETCQYMHSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@H]1CC[N@H+](C2CCC2)C1 52210722 169275019 /nfs/dbraw/zinc/27/50/19/169275019.db2.gz CBUJLUQYQRTKEF-ZETCQYMHSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@H]1CC[N@@H+](C2CCCC2)C1 31996469 169275052 /nfs/dbraw/zinc/27/50/52/169275052.db2.gz MKSRQKFKDYWWBT-QMMMGPOBSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[N@H+](C2CCCC2)C1 31996469 169275054 /nfs/dbraw/zinc/27/50/54/169275054.db2.gz MKSRQKFKDYWWBT-QMMMGPOBSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[N@H+]2CCCC[C@@H]2C1 19483462 169275177 /nfs/dbraw/zinc/27/51/77/169275177.db2.gz QTYYLKWVPVUNET-DTWKUNHWSA-N 2 1 154.257 0.962 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[N@H+](CC2CCOCC2)C1 52174691 169275192 /nfs/dbraw/zinc/27/51/92/169275192.db2.gz KEACVSCSNAGWGQ-JTQLQIEISA-N 2 1 184.283 0.446 50 0 ACAAMP [NH3+][C@H]1CC[N@@H+](CC2CCOCC2)C1 52174691 169275194 /nfs/dbraw/zinc/27/51/94/169275194.db2.gz KEACVSCSNAGWGQ-JTQLQIEISA-N 2 1 184.283 0.446 50 0 ACAAMP [NH3+][C@H]1CC[N@H+](CC2CCC2)C1 37242468 169275334 /nfs/dbraw/zinc/27/53/34/169275334.db2.gz MLUPXTWMGVBYCF-VIFPVBQESA-N 2 1 154.257 0.820 50 0 ACAAMP [NH3+][C@H]1CC[N@@H+](CC2CCC2)C1 37242468 169275335 /nfs/dbraw/zinc/27/53/35/169275335.db2.gz MLUPXTWMGVBYCF-VIFPVBQESA-N 2 1 154.257 0.820 50 0 ACAAMP [NH3+][C@H]1CC[N@H+](CC2CC2)C1 22942088 169275359 /nfs/dbraw/zinc/27/53/59/169275359.db2.gz WWZAQUJXWBZQLQ-QMMMGPOBSA-N 2 1 140.230 0.429 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[N@@H+](CC2CC2)C1 22942088 169275360 /nfs/dbraw/zinc/27/53/60/169275360.db2.gz WWZAQUJXWBZQLQ-QMMMGPOBSA-N 2 1 140.230 0.429 50 0 in-vitro ACAAMP [NH3+][C@H]1CCc2[nH+]c[nH]c2C1 3647886 169275836 /nfs/dbraw/zinc/27/58/36/169275836.db2.gz XPJLVDOGXOROPC-YFKPBYRVSA-N 2 1 137.186 0.226 50 0 in-vitro ACAAMP [NH3+][C@H]1CC[C@@H]([NH+]2CCOCC2)C1 71496562 169276048 /nfs/dbraw/zinc/27/60/48/169276048.db2.gz ZNWJKNHRXMWQRB-DTWKUNHWSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@H]1CC[C@H]([NH+]2CCOCC2)C1 71496560 169276443 /nfs/dbraw/zinc/27/64/43/169276443.db2.gz ZNWJKNHRXMWQRB-IUCAKERBSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+][C@H]1C[NH+]2CCC1CC2 19202664 169276755 /nfs/dbraw/zinc/27/67/55/169276755.db2.gz REUAXQZIRFXQML-ZETCQYMHSA-N 2 1 126.203 0.039 50 0 in-vitro ACAAMP [NH3+][C@H]1CCc2c[nH+]cn2C1 18554742 169277155 /nfs/dbraw/zinc/27/71/55/169277155.db2.gz IRSOKACBCIJZAV-LURJTMIESA-N 2 1 137.186 0.157 50 0 in-vitro ACAAMP [NH3+][C@H]1CCc2[nH+]ccn2C1 18554784 169277371 /nfs/dbraw/zinc/27/73/71/169277371.db2.gz DMGFKLHPPROGNY-LURJTMIESA-N 2 1 137.186 0.157 50 0 in-vitro ACAAMP [NH3+][C@H]1CCn2c[nH+]cc2C1 18558474 169277609 /nfs/dbraw/zinc/27/76/09/169277609.db2.gz JAYLQXDSOQUHMZ-LURJTMIESA-N 2 1 137.186 0.157 50 0 in-vitro ACAAMP N[C@H]1C[C@@H]2CCCC[N@H+]2C1 68590788 169278421 /nfs/dbraw/zinc/27/84/21/169278421.db2.gz DNWGGLVQANNAHV-YUMQZZPRSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@H]1C[C@@H]2CCCC[N@@H+]2C1 68590788 169278423 /nfs/dbraw/zinc/27/84/23/169278423.db2.gz DNWGGLVQANNAHV-YUMQZZPRSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@H]1C[C@@H]2CCCC[N@H+]2C1 68590788 169278424 /nfs/dbraw/zinc/27/84/24/169278424.db2.gz DNWGGLVQANNAHV-YUMQZZPRSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP N[C@H]1C[C@H]2CCCC[N@H+]2C1 101383618 169279106 /nfs/dbraw/zinc/27/91/06/169279106.db2.gz DNWGGLVQANNAHV-JGVFFNPUSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@H]1C[C@H]2CCCC[N@@H+]2C1 101383618 169279107 /nfs/dbraw/zinc/27/91/07/169279107.db2.gz DNWGGLVQANNAHV-JGVFFNPUSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+][C@H]1C[C@H]2CCCC[N@H+]2C1 101383618 169279109 /nfs/dbraw/zinc/27/91/09/169279109.db2.gz DNWGGLVQANNAHV-JGVFFNPUSA-N 2 1 140.230 0.572 50 0 in-vitro ACAAMP [NH3+]C[C@H]1CCc2[nH+]c[nH]c2C1 82407963 169217426 /nfs/dbraw/zinc/21/74/26/169217426.db2.gz RHZOREWZVFCKGB-LURJTMIESA-N 2 1 151.213 0.473 50 0 ACAAMP [NH3+]C[C@H]1CCc2[nH]c[nH+]c2C1 82407963 169217427 /nfs/dbraw/zinc/21/74/27/169217427.db2.gz RHZOREWZVFCKGB-LURJTMIESA-N 2 1 151.213 0.473 50 0 ACAAMP [NH3+]C[C@H]1CCc2[nH+]ccn2C1 98095701 169217431 /nfs/dbraw/zinc/21/74/31/169217431.db2.gz IVWNDDHEYWZOHD-SSDOTTSWSA-N 2 1 151.213 0.404 50 0 ACAAMP [NH3+]C[C@H]1CCn2cc[nH+]c2C1 84302900 169217609 /nfs/dbraw/zinc/21/76/09/169217609.db2.gz UJGPGNOWRZXMEW-ZETCQYMHSA-N 2 1 151.213 0.404 50 0 in-vitro ACAAMP O[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 42783391 169445182 /nfs/dbraw/zinc/44/51/82/169445182.db2.gz GELMPGZBWGOERF-LLVKDONJSA-N 2 1 198.310 0.443 50 0 ACAAMP C[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 3683633 171009704 /nfs/dbraw/zinc/00/97/04/171009704.db2.gz ZDXPPVJOETXBJZ-LLVKDONJSA-N 2 1 198.310 0.849 50 0 in-vitro ACAAMP C[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 4030533 171011056 /nfs/dbraw/zinc/01/10/56/171011056.db2.gz ZDXPPVJOETXBJZ-NSHDSACASA-N 2 1 198.310 0.849 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@@H]1CN1CC[NH2+]CC1 22028407 171042131 /nfs/dbraw/zinc/04/21/31/171042131.db2.gz IIPVEBCCKBYRMM-LLVKDONJSA-N 2 1 197.326 0.376 50 0 in-vitro ACAAMP C1C[NH2+]C[C@@H]2CCC[N@@H+]2C1 23093924 171043236 /nfs/dbraw/zinc/04/32/36/171043236.db2.gz QBNOLQLKVNGFCG-QMMMGPOBSA-N 2 1 140.230 0.444 50 0 in-vitro ACAAMP c1c[nH+]c(C2CC[NH2+]CC2)[nH]1 26461390 171045099 /nfs/dbraw/zinc/04/50/99/171045099.db2.gz YJNKIVCXVAKYRD-UHFFFAOYSA-N 2 1 151.213 0.877 50 0 in-vitro ACAAMP C[N@@H+]1CCCC[C@H]1C[NH3+] 32445551 171050456 /nfs/dbraw/zinc/05/04/56/171050456.db2.gz PPUMJZMVFCLQBI-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@H]1C[NH3+] 32445551 171050457 /nfs/dbraw/zinc/05/04/57/171050457.db2.gz PPUMJZMVFCLQBI-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@@H+]1CCCC[C@@H]1C[NH3+] 32445550 171050538 /nfs/dbraw/zinc/05/05/38/171050538.db2.gz PPUMJZMVFCLQBI-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@@H]1C[NH3+] 32445550 171050539 /nfs/dbraw/zinc/05/05/39/171050539.db2.gz PPUMJZMVFCLQBI-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C1C[NH2+]C[C@@H]([NH+]2CCCC2)C1 32445549 171050802 /nfs/dbraw/zinc/05/08/02/171050802.db2.gz DSRVXZMXCPNZDO-VIFPVBQESA-N 2 1 154.257 0.834 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@@H]([NH3+])C1 32445477 171050825 /nfs/dbraw/zinc/05/08/25/171050825.db2.gz QZSACHHNFDNCNB-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H]([NH3+])C1 32445477 171050830 /nfs/dbraw/zinc/05/08/30/171050830.db2.gz QZSACHHNFDNCNB-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@H]1CN1CC[NH2+]CC1 33558982 171051787 /nfs/dbraw/zinc/05/17/87/171051787.db2.gz IIPVEBCCKBYRMM-NSHDSACASA-N 2 1 197.326 0.376 50 0 in-vitro ACAAMP c1cncc(C[NH2+]C2CC[NH2+]CC2)c1 38040712 171067709 /nfs/dbraw/zinc/06/77/09/171067709.db2.gz ADQMAUSMBIUXJY-UHFFFAOYSA-N 2 1 191.278 0.923 50 0 ACAAMP c1c[nH+]c(CC2CC[NH2+]CC2)[nH]1 38076169 171068906 /nfs/dbraw/zinc/06/89/06/171068906.db2.gz LNPROGAMXALBAN-UHFFFAOYSA-N 2 1 165.240 0.952 50 0 ACAAMP C[N@@H+]1CCCC[C@H]([NH3+])C1 38803869 171070344 /nfs/dbraw/zinc/07/03/44/171070344.db2.gz SAQGERPDKPUNKQ-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@H]([NH3+])C1 38803869 171070346 /nfs/dbraw/zinc/07/03/46/171070346.db2.gz SAQGERPDKPUNKQ-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@@H+]1CCCC[C@@H]([NH3+])C1 38803872 171070827 /nfs/dbraw/zinc/07/08/27/171070827.db2.gz SAQGERPDKPUNKQ-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@@H]([NH3+])C1 38803872 171070830 /nfs/dbraw/zinc/07/08/30/171070830.db2.gz SAQGERPDKPUNKQ-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC(C)(C)[C@@H]([NH3+])C[NH3+] 39211935 171077562 /nfs/dbraw/zinc/07/75/62/171077562.db2.gz KKMKAWJAGGJWTJ-YFKPBYRVSA-N 2 1 116.208 0.319 50 0 in-vitro ACAAMP C1C[NH2+]CC[N@H+](C2CC2)C1 39947652 171079315 /nfs/dbraw/zinc/07/93/15/171079315.db2.gz KZZRCKSXKSHUSD-UHFFFAOYSA-N 2 1 140.230 0.444 50 0 in-vitro ACAAMP C[N@@H+]1CCCC2(C[NH2+]C2)C1 40449927 171081118 /nfs/dbraw/zinc/08/11/18/171081118.db2.gz RCFBNCONEUWPDT-UHFFFAOYSA-N 2 1 140.230 0.302 50 0 ACAAMP C[N@H+]1CCCC2(C[NH2+]C2)C1 40449927 171081120 /nfs/dbraw/zinc/08/11/20/171081120.db2.gz RCFBNCONEUWPDT-UHFFFAOYSA-N 2 1 140.230 0.302 50 0 ACAAMP C[NH+]1CCC2(CC1)[NH2+]CCS2 43827605 171088836 /nfs/dbraw/zinc/08/88/36/171088836.db2.gz GOEBBVOXFUDAEC-UHFFFAOYSA-N 2 1 172.297 0.745 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H]([NH3+])CC1 44682201 171091811 /nfs/dbraw/zinc/09/18/11/171091811.db2.gz LYRZFDLVKYYDOX-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCC2(CC[NH2+]CC2)C1 59270573 171101441 /nfs/dbraw/zinc/10/14/41/171101441.db2.gz SEXCXAIQIMWSBF-UHFFFAOYSA-N 2 1 154.257 0.692 50 0 ACAAMP C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 107270394 171109513 /nfs/dbraw/zinc/10/95/13/171109513.db2.gz WAGFPUSMLPSDHU-LURJTMIESA-N 2 1 164.199 0.532 50 0 ACAAMP C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 107270394 171109517 /nfs/dbraw/zinc/10/95/17/171109517.db2.gz WAGFPUSMLPSDHU-LURJTMIESA-N 2 1 164.199 0.532 50 0 ACAAMP C[N@H+]1CCCC12CC[NH2+]CC2 79031366 171121402 /nfs/dbraw/zinc/12/14/02/171121402.db2.gz MHDXQGAXZKINFD-UHFFFAOYSA-N 2 1 154.257 0.834 50 0 ACAAMP Nc1[nH]c2ccc(C[NH3+])cc2[nH+]1 98096588 171142398 /nfs/dbraw/zinc/14/23/98/171142398.db2.gz WOLZVGSTWRXXIS-UHFFFAOYSA-N 2 1 162.196 0.604 50 0 ACAAMP C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 107270390 171150015 /nfs/dbraw/zinc/15/00/15/171150015.db2.gz WAGFPUSMLPSDHU-ZCFIWIBFSA-N 2 1 164.199 0.532 50 0 ACAAMP C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 107270390 171150016 /nfs/dbraw/zinc/15/00/16/171150016.db2.gz WAGFPUSMLPSDHU-ZCFIWIBFSA-N 2 1 164.199 0.532 50 0 ACAAMP [NH3+]CC12CC[NH+](CC1)C2 104646367 171163755 /nfs/dbraw/zinc/16/37/55/171163755.db2.gz FHOLJYLJISTCOR-UHFFFAOYSA-N 2 1 126.203 0.041 50 0 ACAAMP [NH3+]C1(c2cccnc2)CC[NH2+]CC1 98213788 171199667 /nfs/dbraw/zinc/19/96/67/171199667.db2.gz ADJLNXHHLQAJSD-UHFFFAOYSA-N 2 1 177.251 0.619 50 0 ACAAMP C1C[NH2+]C[C@@H]([NH2+]C2CCOCC2)C1 43325669 171217854 /nfs/dbraw/zinc/21/78/54/171217854.db2.gz AAKSFRUPVLIFJD-JTQLQIEISA-N 2 1 184.283 0.507 50 0 ACAAMP [NH3+]C[C@@]1(CC(F)F)CCC[NH2+]1 261507405 171220303 /nfs/dbraw/zinc/22/03/03/171220303.db2.gz ICYDMKLCGNFEEL-ZETCQYMHSA-N 2 1 164.199 0.723 50 0 ACAAMP [NH3+]C[C@]1(CC(F)F)CCC[NH2+]1 261507404 171220340 /nfs/dbraw/zinc/22/03/40/171220340.db2.gz ICYDMKLCGNFEEL-SSDOTTSWSA-N 2 1 164.199 0.723 50 0 ACAAMP CC[C@@H]1C[N@@H+](C)CC[C@H]1[NH3+] 238267081 344798130 /nfs/dbraw/zinc/79/81/30/344798130.db2.gz IIBJSSXWRVFQHK-HTQZYQBOSA-N 2 1 142.246 0.675 50 0 ACAAMP C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252707127 344909784 /nfs/dbraw/zinc/90/97/84/344909784.db2.gz WDTYUDKGVGNUJZ-CIUDSAMLSA-N 2 1 154.257 0.675 50 0 ACAAMP C[N@H+]1CCC[C@H]1CC[NH3+] 388243 342935523 /nfs/dbraw/zinc/93/55/23/342935523.db2.gz PNHGJPJOMCXSKN-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC1=CC[N@H+](CCNC(N)=[NH2+])CC1 1523 342923731 /nfs/dbraw/zinc/92/37/31/342923731.db2.gz WQVAYGCXSJMPRT-UHFFFAOYSA-N 2 1 182.271 0.121 50 0 in-man ACAAMP CC1=CC[N@@H+](CCNC(N)=[NH2+])CC1 1523 342923733 /nfs/dbraw/zinc/92/37/33/342923733.db2.gz WQVAYGCXSJMPRT-UHFFFAOYSA-N 2 1 182.271 0.121 50 0 in-man ACAAMP C[N@H+]1CCC[C@@H]1CC[NH3+] 25200 342924241 /nfs/dbraw/zinc/92/42/41/342924241.db2.gz PNHGJPJOMCXSKN-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[NH+]1CCC([NH2+]C2CC2)CC1 153929 342928632 /nfs/dbraw/zinc/92/86/32/342928632.db2.gz BJWQVPXVPMEZBB-UHFFFAOYSA-N 2 1 154.257 0.833 50 0 in-vitro ACAAMP C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 158261 342929388 /nfs/dbraw/zinc/92/93/88/342929388.db2.gz HJGMRAKQWLKWMH-IEESLHIDSA-N 2 1 140.230 0.570 50 0 ACAAMP C[NH2+]C1CC[NH+](C)CC1 407037 342938817 /nfs/dbraw/zinc/93/88/17/342938817.db2.gz XRYGCVVVDCEPRL-UHFFFAOYSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP CN1CCC([NH2+]CCC[NH+](C)C)CC1 2518430 342973919 /nfs/dbraw/zinc/97/39/19/342973919.db2.gz PUDVDBBVMUOLCI-UHFFFAOYSA-N 2 1 199.342 0.622 50 0 ACAAMP Cc1[nH+]ccn1CCC[NH3+] 2545833 342975646 /nfs/dbraw/zinc/97/56/46/342975646.db2.gz NDUDHWBKFFJGMA-UHFFFAOYSA-N 2 1 139.202 0.540 50 0 in-vitro ACAAMP C[C@H]1CCC[N@@H+](C[C@H](O)C[NH3+])C1 2569179 342977678 /nfs/dbraw/zinc/97/76/78/342977678.db2.gz KPCLAQXYYFURIR-DTWKUNHWSA-N 2 1 172.272 0.038 50 0 ACAAMP Cc1[nH+]c[nH]c1CC[NH3+] 3605034 342982838 /nfs/dbraw/zinc/98/28/38/342982838.db2.gz UGYXPZQILZRKJJ-UHFFFAOYSA-N 2 1 125.175 0.219 50 0 in-vitro ACAAMP C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 4204034 342988113 /nfs/dbraw/zinc/98/81/13/342988113.db2.gz BKVNPJOJIGXEPB-JGVFFNPUSA-N 2 1 140.230 0.158 50 0 ACAAMP C[N@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1 4204035 342988715 /nfs/dbraw/zinc/98/87/15/342988715.db2.gz BKVNPJOJIGXEPB-HTQZYQBOSA-N 2 1 140.230 0.158 50 0 ACAAMP Cc1[nH+]ccn1C[C@@H](C)C[NH3+] 11735103 343024688 /nfs/dbraw/zinc/02/46/88/343024688.db2.gz MSJBNKMUDXAGCS-ZETCQYMHSA-N 2 1 153.229 0.786 50 0 in-vitro ACAAMP C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH3+])C1 6556244 343015071 /nfs/dbraw/zinc/01/50/71/343015071.db2.gz KPCLAQXYYFURIR-IUCAKERBSA-N 2 1 172.272 0.038 50 0 ACAAMP CCC[N@H+]1CC[C@@H](C[NH3+])C1 11891177 343026451 /nfs/dbraw/zinc/02/64/51/343026451.db2.gz IPUBRBQHMVFXEW-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP CCC[N@H+]1CC[C@H](C[NH3+])C1 11891181 343026510 /nfs/dbraw/zinc/02/65/10/343026510.db2.gz IPUBRBQHMVFXEW-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP CC(C)[N@H+]1CC[C@H](C[NH3+])C1 11891188 343026544 /nfs/dbraw/zinc/02/65/44/343026544.db2.gz DJCJZTOPDLHBRF-MRVPVSSYSA-N 2 1 142.246 0.675 50 0 in-vitro ACAAMP CC(C)[N@H+]1CC[C@@H](C[NH3+])C1 11891184 343026717 /nfs/dbraw/zinc/02/67/17/343026717.db2.gz DJCJZTOPDLHBRF-QMMMGPOBSA-N 2 1 142.246 0.675 50 0 in-vitro ACAAMP CCn1cc[nH+]c1N1CC[NH2+]CC1 11920169 343026888 /nfs/dbraw/zinc/02/68/88/343026888.db2.gz FNDOFBMZGIXLJV-UHFFFAOYSA-N 2 1 180.255 0.313 50 0 ACAAMP CC1=[NH+]CCN1C(=O)[C@@H]([NH3+])CC(C)C 11954327 343027158 /nfs/dbraw/zinc/02/71/58/343027158.db2.gz NIYRYORRKAIJGI-VIFPVBQESA-N 2 1 197.282 0.620 50 0 ACAAMP C[C@H]1C[NH+](CCC[NH3+])C[C@H](C)O1 12505389 343031419 /nfs/dbraw/zinc/03/14/19/343031419.db2.gz NIFZHABTMWBHTG-IUCAKERBSA-N 2 1 172.272 0.444 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H](C[NH3+])C1 12953681 343032492 /nfs/dbraw/zinc/03/24/92/343032492.db2.gz KEDTYNCWGSIWBK-SSDOTTSWSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H](C[NH3+])C1 12953678 343032579 /nfs/dbraw/zinc/03/25/79/343032579.db2.gz KEDTYNCWGSIWBK-ZETCQYMHSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP C[N@H+]1[C@H]2CCC[C@@H]1CC([NH3+])C2 16696633 343044300 /nfs/dbraw/zinc/04/43/00/343044300.db2.gz HTZWHTQVHWHSHN-CBLAIPOGSA-N 2 1 154.257 0.960 50 0 ACAAMP C[NH2+]CCCn1cc[nH+]c1C 16941549 343044979 /nfs/dbraw/zinc/04/49/79/343044979.db2.gz CEKYCCUKUIBFHB-UHFFFAOYSA-N 2 1 153.229 0.801 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 18505191 343048289 /nfs/dbraw/zinc/04/82/89/343048289.db2.gz UFTKWLHJIFCQPP-HTQZYQBOSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 18505189 343048393 /nfs/dbraw/zinc/04/83/93/343048393.db2.gz UFTKWLHJIFCQPP-SFYZADRCSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 18505183 343048398 /nfs/dbraw/zinc/04/83/98/343048398.db2.gz BNLKJYVQFIOOTE-JGVFFNPUSA-N 2 1 140.230 0.158 50 0 in-vitro ACAAMP C[N@H+]1CC[C@](C)(C[NH3+])C1 19088215 343049168 /nfs/dbraw/zinc/04/91/68/343049168.db2.gz HBEGEQPEVWXGGD-SSDOTTSWSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@](C)(C[NH3+])C1 19088212 343049440 /nfs/dbraw/zinc/04/94/40/343049440.db2.gz HBEGEQPEVWXGGD-ZETCQYMHSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP C[NH2+]CCCc1[nH+]ccn1C 19090986 343050119 /nfs/dbraw/zinc/05/01/19/343050119.db2.gz DDHOOAHZOZOEHW-UHFFFAOYSA-N 2 1 153.229 0.572 50 0 ACAAMP Cc1[nH+]ccn1CC1(C[NH3+])CC1 19091849 343050666 /nfs/dbraw/zinc/05/06/66/343050666.db2.gz CQUJOKCZKKWSAX-UHFFFAOYSA-N 2 1 165.240 0.930 50 0 in-vitro ACAAMP Cc1[nH+]ccn1CCCC[NH3+] 19273860 343052664 /nfs/dbraw/zinc/05/26/64/343052664.db2.gz HOIAWOKJIFZUMY-UHFFFAOYSA-N 2 1 153.229 0.930 50 0 in-vitro ACAAMP C[NH+](C)CC(C)(C)[NH3+] 19366927 343053392 /nfs/dbraw/zinc/05/33/92/343053392.db2.gz IRNAEDHJBNPCEZ-UHFFFAOYSA-N 2 1 116.208 0.285 50 0 in-vitro ACAAMP CC[C@H]([NH3+])C[NH+](C)C 19368457 343053449 /nfs/dbraw/zinc/05/34/49/343053449.db2.gz AKRUIVSMWDCKNI-LURJTMIESA-N 2 1 116.208 0.285 50 0 in-vitro ACAAMP CC[C@@H]([NH3+])C[NH+](C)C 19368458 343053457 /nfs/dbraw/zinc/05/34/57/343053457.db2.gz AKRUIVSMWDCKNI-ZCFIWIBFSA-N 2 1 116.208 0.285 50 0 in-vitro ACAAMP CCCC[N@H+](C)CC[NH3+] 19405756 343054390 /nfs/dbraw/zinc/05/43/90/343054390.db2.gz BCHCXIHUKWIMHC-UHFFFAOYSA-N 2 1 130.235 0.677 50 0 in-vitro ACAAMP CCCC[N@@H+](C)CC[NH3+] 19405756 343054392 /nfs/dbraw/zinc/05/43/92/343054392.db2.gz BCHCXIHUKWIMHC-UHFFFAOYSA-N 2 1 130.235 0.677 50 0 in-vitro ACAAMP C[NH+](C)CC1([NH3+])CCCC1 19727568 343059011 /nfs/dbraw/zinc/05/90/11/343059011.db2.gz VDNIFMDAQBGJGP-UHFFFAOYSA-N 2 1 142.246 0.820 50 0 ACAAMP C[C@H](C[NH3+])[NH+]1CCCC1 19735764 343059344 /nfs/dbraw/zinc/05/93/44/343059344.db2.gz GUHQLUWDOMXRGQ-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@H]1C[NH3+] 19737033 343059832 /nfs/dbraw/zinc/05/98/32/343059832.db2.gz JUFKJRCMBLLXNH-LURJTMIESA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H]1C[NH3+] 19737033 343059834 /nfs/dbraw/zinc/05/98/34/343059834.db2.gz JUFKJRCMBLLXNH-LURJTMIESA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@@H]1C[NH3+] 19737032 343059858 /nfs/dbraw/zinc/05/98/58/343059858.db2.gz JUFKJRCMBLLXNH-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H]1C[NH3+] 19737032 343059860 /nfs/dbraw/zinc/05/98/60/343059860.db2.gz JUFKJRCMBLLXNH-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[NH+](C)C(C)(C)C[NH3+] 19795797 343060303 /nfs/dbraw/zinc/06/03/03/343060303.db2.gz PKZCRWFNSBIBEW-UHFFFAOYSA-N 2 1 116.208 0.285 50 0 in-vitro ACAAMP C[NH+](C)C1(C[NH3+])CCOCC1 19850996 343061941 /nfs/dbraw/zinc/06/19/41/343061941.db2.gz KCLFWPREWYWLTP-UHFFFAOYSA-N 2 1 158.245 0.056 50 0 in-vitro ACAAMP CC(C)[C@H]([NH3+])C[NH+](C)C 20074029 343066643 /nfs/dbraw/zinc/06/66/43/343066643.db2.gz ZKUQESYHKKBVDE-SSDOTTSWSA-N 2 1 130.235 0.531 50 0 in-vitro ACAAMP C[N@H+]1CCCN([C@@H]2CCC[C@@H]2[NH3+])CC1 20260669 343070445 /nfs/dbraw/zinc/07/04/45/343070445.db2.gz VHYJFJACQXFBDM-WDEREUQCSA-N 2 1 197.326 0.504 50 0 in-vitro ACAAMP CC[C@@H](C[NH3+])[NH+]1CCCC1 20283437 343070736 /nfs/dbraw/zinc/07/07/36/343070736.db2.gz WMFCMIRCRKQLRO-QMMMGPOBSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP CC[C@H](C[NH3+])[NH+]1CCCC1 20283440 343071259 /nfs/dbraw/zinc/07/12/59/343071259.db2.gz WMFCMIRCRKQLRO-MRVPVSSYSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP CC(C)[N@H+]1CCC[C@@H]([NH3+])C1 20438746 343073081 /nfs/dbraw/zinc/07/30/81/343073081.db2.gz IWMWQJJKTUJTHA-MRVPVSSYSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H](CC[NH3+])C1 20439786 343073281 /nfs/dbraw/zinc/07/32/81/343073281.db2.gz FTNBVIIKZHRBTK-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP CC(C)[N@H+]1CCC[C@H]([NH3+])C1 20438751 343073310 /nfs/dbraw/zinc/07/33/10/343073310.db2.gz IWMWQJJKTUJTHA-QMMMGPOBSA-N 2 1 142.246 0.818 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H](CC[NH3+])C1 20440498 343073418 /nfs/dbraw/zinc/07/34/18/343073418.db2.gz CQGLYACIZMXCQF-ZETCQYMHSA-N 2 1 128.219 0.287 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H](CC[NH3+])C1 20439789 343073491 /nfs/dbraw/zinc/07/34/91/343073491.db2.gz FTNBVIIKZHRBTK-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH3+] 20775031 343074736 /nfs/dbraw/zinc/07/47/36/343074736.db2.gz KJSCOXHVQCIXQY-XPUUQOCRSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH3+] 20775031 343074738 /nfs/dbraw/zinc/07/47/38/343074738.db2.gz KJSCOXHVQCIXQY-XPUUQOCRSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[NH+]1CCC(C[NH+]2CCNCC2)CC1 22029046 343077794 /nfs/dbraw/zinc/07/77/94/343077794.db2.gz VGEQUMWEQWWIJT-UHFFFAOYSA-N 2 1 197.326 0.233 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH3+] 22130073 343079142 /nfs/dbraw/zinc/07/91/42/343079142.db2.gz WLFDKDVGHUCVFY-BQBZGAKWSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP CC(C)[N@H+](C)C[C@H](C)[NH3+] 22212711 343080946 /nfs/dbraw/zinc/08/09/46/343080946.db2.gz JGPLGXKAPTVKMX-ZETCQYMHSA-N 2 1 130.235 0.674 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H](CN2CC[NH2+]CC2)C1 22465924 343081705 /nfs/dbraw/zinc/08/17/05/343081705.db2.gz JNRZWBOVQVAUTC-LLVKDONJSA-N 2 1 197.326 0.233 50 0 in-vitro ACAAMP CCC(CC)[NH2+]CC[NH3+] 22870532 343082217 /nfs/dbraw/zinc/08/22/17/343082217.db2.gz JWRIBBHPRWTITQ-UHFFFAOYSA-N 2 1 130.235 0.723 50 0 in-vitro ACAAMP CC(C)[N@H+]1CC[C@H]([NH3+])C1 22942078 343082923 /nfs/dbraw/zinc/08/29/23/343082923.db2.gz SYMMPPWYYXRLJX-ZETCQYMHSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP CC[C@@H](C[NH3+])[NH+](C)C 23066195 343082853 /nfs/dbraw/zinc/08/28/53/343082853.db2.gz QYMUENUCKRLOTB-LURJTMIESA-N 2 1 116.208 0.285 50 0 in-vitro ACAAMP CC(C)[N@@H+]1CC[C@@H]([NH3+])C1 22942074 343082859 /nfs/dbraw/zinc/08/28/59/343082859.db2.gz SYMMPPWYYXRLJX-SSDOTTSWSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP CC(C)[N@H+]1CC[C@@H]([NH3+])C1 22942074 343082861 /nfs/dbraw/zinc/08/28/61/343082861.db2.gz SYMMPPWYYXRLJX-SSDOTTSWSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP CC[C@H](C[NH3+])[NH+](C)C 23066197 343082898 /nfs/dbraw/zinc/08/28/98/343082898.db2.gz QYMUENUCKRLOTB-ZCFIWIBFSA-N 2 1 116.208 0.285 50 0 in-vitro ACAAMP CC(C)[N@@H+]1CC[C@H]([NH3+])C1 22942078 343082921 /nfs/dbraw/zinc/08/29/21/343082921.db2.gz SYMMPPWYYXRLJX-ZETCQYMHSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](C)CCC[NH2+]1 23093931 343083325 /nfs/dbraw/zinc/08/33/25/343083325.db2.gz CPZHVHQMQBDZMW-ZETCQYMHSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1C1CC1 23844655 343084453 /nfs/dbraw/zinc/08/44/53/343084453.db2.gz BXEZDTWKLTUSIV-BQBZGAKWSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[C@H]1C[C@H]([NH3+])C[N@H+]1C1CC1 23844655 343084454 /nfs/dbraw/zinc/08/44/54/343084454.db2.gz BXEZDTWKLTUSIV-BQBZGAKWSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[C@H]1CCC[N@@H+]1CC[NH3+] 37910070 343180543 /nfs/dbraw/zinc/18/05/43/343180543.db2.gz CWCJURPRDOORGY-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[C@H]1CCC[N@H+]1CC[NH3+] 37910070 343180544 /nfs/dbraw/zinc/18/05/44/343180544.db2.gz CWCJURPRDOORGY-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP Cc1[nH+]ccn1C1C[NH2+]C1 23906880 343084864 /nfs/dbraw/zinc/08/48/64/343084864.db2.gz KWTBWLLIMMPKNP-UHFFFAOYSA-N 2 1 137.186 0.336 50 0 ACAAMP C[N@@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 24115325 343085343 /nfs/dbraw/zinc/08/53/43/343085343.db2.gz NRCDIJJTFDJACX-SFYZADRCSA-N 2 1 140.230 0.443 50 0 ACAAMP C[N@H+]1CC[C@H]2C[NH2+]CC[C@@H]21 25877059 343086763 /nfs/dbraw/zinc/08/67/63/343086763.db2.gz APQINZAHFHXIRJ-YUMQZZPRSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]2C[NH2+]CC[C@@H]21 25877056 343086898 /nfs/dbraw/zinc/08/68/98/343086898.db2.gz APQINZAHFHXIRJ-SFYZADRCSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP C[NH+](C)[C@@H](C[NH3+])C1CC1 26510862 343089164 /nfs/dbraw/zinc/08/91/64/343089164.db2.gz UEJWODNUYBQODM-ZETCQYMHSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP C[NH+](C)[C@H](C[NH3+])C1CC1 26510865 343089252 /nfs/dbraw/zinc/08/92/52/343089252.db2.gz UEJWODNUYBQODM-SSDOTTSWSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP CCCC[N@@H+]1CC[C@H]([NH3+])C1 31996455 343095214 /nfs/dbraw/zinc/09/52/14/343095214.db2.gz WZQVWDRDYHYXBG-QMMMGPOBSA-N 2 1 142.246 0.820 50 0 ACAAMP CCCC[N@H+]1CC[C@H]([NH3+])C1 31996455 343095215 /nfs/dbraw/zinc/09/52/15/343095215.db2.gz WZQVWDRDYHYXBG-QMMMGPOBSA-N 2 1 142.246 0.820 50 0 ACAAMP CCC[N@@H+]1CC[C@H]([NH3+])C1 31996775 343095319 /nfs/dbraw/zinc/09/53/19/343095319.db2.gz QQBSLNKWDXZLKL-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CCC[N@H+]1CC[C@H]([NH3+])C1 31996775 343095320 /nfs/dbraw/zinc/09/53/20/343095320.db2.gz QQBSLNKWDXZLKL-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 31996782 343095347 /nfs/dbraw/zinc/09/53/47/343095347.db2.gz UYZDDPIZRFTWMM-JGVFFNPUSA-N 2 1 142.246 0.818 50 0 ACAAMP CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 31996782 343095349 /nfs/dbraw/zinc/09/53/49/343095349.db2.gz UYZDDPIZRFTWMM-JGVFFNPUSA-N 2 1 142.246 0.818 50 0 ACAAMP CCC[N@@H+]1CC[C@@H]([NH3+])C1 31996772 343095415 /nfs/dbraw/zinc/09/54/15/343095415.db2.gz QQBSLNKWDXZLKL-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CCC[N@H+]1CC[C@@H]([NH3+])C1 31996772 343095417 /nfs/dbraw/zinc/09/54/17/343095417.db2.gz QQBSLNKWDXZLKL-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@H]([NH3+])C1 32445478 343102186 /nfs/dbraw/zinc/10/21/86/343102186.db2.gz QZSACHHNFDNCNB-LURJTMIESA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H]([NH3+])C1 32445478 343102188 /nfs/dbraw/zinc/10/21/88/343102188.db2.gz QZSACHHNFDNCNB-LURJTMIESA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP CCC[N@H+]1CCC[C@@H]([NH3+])C1 32445511 343102356 /nfs/dbraw/zinc/10/23/56/343102356.db2.gz DXTMBWZGZFPDLS-MRVPVSSYSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP CC1CC[NH+](CC[NH3+])CC1 32445543 343102386 /nfs/dbraw/zinc/10/23/86/343102386.db2.gz BTEYOILJVIONOI-UHFFFAOYSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP CCC[N@H+]1CCC[C@H]([NH3+])C1 32445512 343102394 /nfs/dbraw/zinc/10/23/94/343102394.db2.gz DXTMBWZGZFPDLS-QMMMGPOBSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP C[C@H]([NH3+])C[NH+]1CCCCC1 32546578 343102785 /nfs/dbraw/zinc/10/27/85/343102785.db2.gz ZFDABCDCTKLGOK-QMMMGPOBSA-N 2 1 142.246 0.820 50 0 in-vitro ACAAMP C[N@@H+](C[C@H]1CCCO1)C1CC[NH2+]CC1 32919237 343103882 /nfs/dbraw/zinc/10/38/82/343103882.db2.gz DOBMVARRMXTNME-LLVKDONJSA-N 2 1 198.310 0.849 50 0 ACAAMP C[N@@H+](C[C@@H]1CCCO1)C1CC[NH2+]CC1 32919235 343103940 /nfs/dbraw/zinc/10/39/40/343103940.db2.gz DOBMVARRMXTNME-NSHDSACASA-N 2 1 198.310 0.849 50 0 ACAAMP C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 34468165 343119568 /nfs/dbraw/zinc/11/95/68/343119568.db2.gz BMRRCEKQTKZDPU-BDAKNGLRSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 34468163 343119605 /nfs/dbraw/zinc/11/96/05/343119605.db2.gz BMRRCEKQTKZDPU-RKDXNWHRSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[C@H]1C[NH+](CCC(N)=[NH2+])C[C@H](C)O1 34651139 343124153 /nfs/dbraw/zinc/12/41/53/343124153.db2.gz QMZHYAVIOCGEBN-YUMQZZPRSA-N 2 1 185.271 0.422 50 0 in-vitro ACAAMP C[N@H+](CC[NH3+])C1CCOCC1 36320515 343143662 /nfs/dbraw/zinc/14/36/62/343143662.db2.gz IYBLOPIXTVXFFW-UHFFFAOYSA-N 2 1 158.245 0.056 50 0 in-vitro ACAAMP C[NH+](C)C1CC[NH+](CCCO)CC1 35247952 343130861 /nfs/dbraw/zinc/13/08/61/343130861.db2.gz UNURFTDVMBFHEI-UHFFFAOYSA-N 2 1 186.299 0.395 50 0 in-vitro ACAAMP C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 35603689 343134056 /nfs/dbraw/zinc/13/40/56/343134056.db2.gz KJXCUZCROJYXOO-MRVPVSSYSA-N 2 1 172.272 0.051 50 0 in-vitro ACAAMP C[N@@H+](CCCO)C1CC[NH2+]CC1 36300844 343143478 /nfs/dbraw/zinc/14/34/78/343143478.db2.gz RSMGBDMEDZHITB-UHFFFAOYSA-N 2 1 172.272 0.053 50 0 in-vitro ACAAMP C[N@@H+](CC[NH3+])C1CCOCC1 36320515 343143665 /nfs/dbraw/zinc/14/36/65/343143665.db2.gz IYBLOPIXTVXFFW-UHFFFAOYSA-N 2 1 158.245 0.056 50 0 in-vitro ACAAMP C[N@@H+](C1CC[NH2+]CC1)C1CCOCC1 36321370 343144106 /nfs/dbraw/zinc/14/41/06/343144106.db2.gz QQWAERSFSGQLKL-UHFFFAOYSA-N 2 1 198.310 0.849 50 0 ACAAMP Cc1cn2c([nH+]1)CC[C@@H]([NH3+])C2 36683687 343148134 /nfs/dbraw/zinc/14/81/34/343148134.db2.gz FRZORHXWYZCJLG-SSDOTTSWSA-N 2 1 151.213 0.465 50 0 in-vitro ACAAMP Cc1cn2c([nH+]1)CC[C@H]([NH3+])C2 36683686 343148246 /nfs/dbraw/zinc/14/82/46/343148246.db2.gz FRZORHXWYZCJLG-ZETCQYMHSA-N 2 1 151.213 0.465 50 0 in-vitro ACAAMP C[C@H]1C[C@H]([NH3+])[C@H](C)C[N@H+]1C 36907424 343153667 /nfs/dbraw/zinc/15/36/67/343153667.db2.gz QDZDLPPKTNOOAE-CSMHCCOUSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP C[C@H]1C[C@@H]([NH3+])[C@H](C)C[N@H+]1C 36907426 343153771 /nfs/dbraw/zinc/15/37/71/343153771.db2.gz QDZDLPPKTNOOAE-GJMOJQLCSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP C[N@@H+](CCCC[NH3+])C1CC1 37080559 343158542 /nfs/dbraw/zinc/15/85/42/343158542.db2.gz VTYJBGKJWZMFOR-UHFFFAOYSA-N 2 1 142.246 0.820 50 0 ACAAMP C[C@H](C[NH3+])[N@H+](C)C1CC1 37080620 343158825 /nfs/dbraw/zinc/15/88/25/343158825.db2.gz CJNQYMXCJLLYEA-ZCFIWIBFSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@H](C[NH3+])[N@@H+](C)C1CC1 37080620 343158827 /nfs/dbraw/zinc/15/88/27/343158827.db2.gz CJNQYMXCJLLYEA-ZCFIWIBFSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H](C(N)=[NH2+])C1 37263104 343164910 /nfs/dbraw/zinc/16/49/10/343164910.db2.gz YOEDLRORQIKPJA-LURJTMIESA-N 2 1 141.218 0.264 50 0 in-vitro ACAAMP C[NH2+]C1(C[NH3+])CCCCC1 37408018 343167567 /nfs/dbraw/zinc/16/75/67/343167567.db2.gz JAIQRJHHIZIWGR-UHFFFAOYSA-N 2 1 142.246 0.867 50 0 in-vitro ACAAMP C[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 37688241 343174068 /nfs/dbraw/zinc/17/40/68/343174068.db2.gz QTSRPCVMANIMGS-QMMMGPOBSA-N 2 1 172.272 0.051 50 0 in-vitro ACAAMP C[C@H]1CCC[N@H+]1CCC[NH3+] 37910068 343180289 /nfs/dbraw/zinc/18/02/89/343180289.db2.gz IIHQYQVGFVPFFI-QMMMGPOBSA-N 2 1 142.246 0.820 50 0 ACAAMP CC(C)[NH2+]CC[NH2+]C(C)C 38202264 343185435 /nfs/dbraw/zinc/18/54/35/343185435.db2.gz MFIGJRRHGZYPDD-UHFFFAOYSA-N 2 1 144.262 0.982 50 0 ACAAMP CCCC[C@@H]([NH3+])C[NH3+] 38624278 343189745 /nfs/dbraw/zinc/18/97/45/343189745.db2.gz JVQUBHIPPUVHCN-ZCFIWIBFSA-N 2 1 116.208 0.463 50 0 in-vitro ACAAMP CCCC[C@H]([NH3+])C[NH3+] 38624274 343189758 /nfs/dbraw/zinc/18/97/58/343189758.db2.gz JVQUBHIPPUVHCN-LURJTMIESA-N 2 1 116.208 0.463 50 0 in-vitro ACAAMP C[NH+](C)C1(C[NH3+])CCC1 39074022 343196235 /nfs/dbraw/zinc/19/62/35/343196235.db2.gz OJICYCRCZTYFAV-UHFFFAOYSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[NH2+]CC[NH2+]C(C)(C)C 39712269 343213849 /nfs/dbraw/zinc/21/38/49/343213849.db2.gz GKHFZYFZIWRXEJ-UHFFFAOYSA-N 2 1 130.235 0.594 50 0 ACAAMP CCCCC[NH2+]CC[NH2+]C 39712239 343214069 /nfs/dbraw/zinc/21/40/69/343214069.db2.gz SYFHKIGUPPJUMS-UHFFFAOYSA-N 2 1 144.262 0.986 50 0 ACAAMP C[NH2+]CC[NH2+]C(C)C 39712243 343214122 /nfs/dbraw/zinc/21/41/22/343214122.db2.gz OBUILYJKCCEQEW-UHFFFAOYSA-N 2 1 116.208 0.204 50 0 ACAAMP CC1(C)C[C@@H]([NH2+]CC[NH3+])CCO1 39949695 343214425 /nfs/dbraw/zinc/21/44/25/343214425.db2.gz PLININLXCGRHGM-QMMMGPOBSA-N 2 1 172.272 0.492 50 0 ACAAMP CC1(C)C[C@H]([NH2+]CC[NH3+])CCO1 39949694 343214574 /nfs/dbraw/zinc/21/45/74/343214574.db2.gz PLININLXCGRHGM-MRVPVSSYSA-N 2 1 172.272 0.492 50 0 ACAAMP C[NH+](C)[C@@H]1CCC[C@@H]1[NH3+] 40162785 343215207 /nfs/dbraw/zinc/21/52/07/343215207.db2.gz VCJNAZAMCYBDCP-NKWVEPMBSA-N 2 1 128.219 0.428 50 0 ACAAMP C[NH+](C)[C@@H]1CCC[C@H]1[NH3+] 40162787 343215233 /nfs/dbraw/zinc/21/52/33/343215233.db2.gz VCJNAZAMCYBDCP-RNFRBKRXSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[NH+](C)[C@H]1CCC[C@H]1[NH3+] 40162788 343215369 /nfs/dbraw/zinc/21/53/69/343215369.db2.gz VCJNAZAMCYBDCP-RQJHMYQMSA-N 2 1 128.219 0.428 50 0 ACAAMP C[N@@H+](CCO)CCC1CC[NH2+]CC1 42783389 343249254 /nfs/dbraw/zinc/24/92/54/343249254.db2.gz PXDGSGREJGPARR-UHFFFAOYSA-N 2 1 186.299 0.300 50 0 in-vitro ACAAMP C[N@@H+](CCO)CC[C@H]1CCC[NH2+]C1 42783344 343249293 /nfs/dbraw/zinc/24/92/93/343249293.db2.gz VBZIVOWXDWEXJP-SNVBAGLBSA-N 2 1 186.299 0.300 50 0 in-vitro ACAAMP C[N@@H+](CCO)CC[C@@H]1CCC[NH2+]C1 42783343 343249312 /nfs/dbraw/zinc/24/93/12/343249312.db2.gz VBZIVOWXDWEXJP-JTQLQIEISA-N 2 1 186.299 0.300 50 0 in-vitro ACAAMP C[N@@H+](CCO)CC[C@@H]1CCCC[NH2+]1 42783327 343249476 /nfs/dbraw/zinc/24/94/76/343249476.db2.gz SRXVYTDJFFUQBU-JTQLQIEISA-N 2 1 186.299 0.443 50 0 ACAAMP C[N@@H+](CCO)CC[C@H]1CCCC[NH2+]1 42783328 343249483 /nfs/dbraw/zinc/24/94/83/343249483.db2.gz SRXVYTDJFFUQBU-SNVBAGLBSA-N 2 1 186.299 0.443 50 0 ACAAMP CC(C)[NH2+][C@H]1CCC[NH2+]C1 43323675 343251220 /nfs/dbraw/zinc/25/12/20/343251220.db2.gz XAXUUHPCEVNZFT-QMMMGPOBSA-N 2 1 142.246 0.736 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H]([NH3+])CC1 44682198 343267957 /nfs/dbraw/zinc/26/79/57/343267957.db2.gz LYRZFDLVKYYDOX-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP CCc1[nH+]ccn1C[C@H](C)[NH3+] 48821687 343275004 /nfs/dbraw/zinc/27/50/04/343275004.db2.gz UGGOWINFSCPFEX-ZETCQYMHSA-N 2 1 153.229 0.793 50 0 ACAAMP CCc1[nH+]ccn1C[C@@H](C)[NH3+] 48821684 343275020 /nfs/dbraw/zinc/27/50/20/343275020.db2.gz UGGOWINFSCPFEX-SSDOTTSWSA-N 2 1 153.229 0.793 50 0 ACAAMP CC(C)[N@H+]1CCc2n[nH]c(C[NH3+])c2C1 49581125 343276002 /nfs/dbraw/zinc/27/60/02/343276002.db2.gz AEWLJMZGWNNASB-UHFFFAOYSA-N 2 1 194.282 0.635 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51360046 343290214 /nfs/dbraw/zinc/29/02/14/343290214.db2.gz OWKCKFLYGJEUPI-DTWKUNHWSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 51360046 343290216 /nfs/dbraw/zinc/29/02/16/343290216.db2.gz OWKCKFLYGJEUPI-DTWKUNHWSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51360047 343290259 /nfs/dbraw/zinc/29/02/59/343290259.db2.gz OWKCKFLYGJEUPI-IUCAKERBSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51360047 343290261 /nfs/dbraw/zinc/29/02/61/343290261.db2.gz OWKCKFLYGJEUPI-IUCAKERBSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 51889575 343295526 /nfs/dbraw/zinc/29/55/26/343295526.db2.gz OCCRWIBMVVTWSL-SNVBAGLBSA-N 2 1 168.284 0.938 50 0 in-vitro ACAAMP Cc1[nH+]cn(CC[NH3+])c1C 51925717 343296059 /nfs/dbraw/zinc/29/60/59/343296059.db2.gz BSBQVAZPNNEYRF-UHFFFAOYSA-N 2 1 139.202 0.459 50 0 ACAAMP C[N@H+]1CC[C@]2(CCC[NH2+]C2)C1 59270593 343343670 /nfs/dbraw/zinc/34/36/70/343343670.db2.gz BASGGIUQFOKXEP-VIFPVBQESA-N 2 1 154.257 0.692 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1 59270594 343343837 /nfs/dbraw/zinc/34/38/37/343343837.db2.gz BASGGIUQFOKXEP-SECBINFHSA-N 2 1 154.257 0.692 50 0 in-vitro ACAAMP C[N@@H+]1CC[C@@](C)([NH3+])C1 59756329 343347451 /nfs/dbraw/zinc/34/74/51/343347451.db2.gz CTCROLHSTQLQKI-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 ACAAMP C[N@H+]1CC[C@@](C)([NH3+])C1 59756329 343347453 /nfs/dbraw/zinc/34/74/53/343347453.db2.gz CTCROLHSTQLQKI-ZCFIWIBFSA-N 2 1 114.192 0.039 50 0 ACAAMP C[N@@H+]1CC[C@](C)([NH3+])C1 59756328 343347665 /nfs/dbraw/zinc/34/76/65/343347665.db2.gz CTCROLHSTQLQKI-LURJTMIESA-N 2 1 114.192 0.039 50 0 ACAAMP C[N@H+]1CC[C@](C)([NH3+])C1 59756328 343347666 /nfs/dbraw/zinc/34/76/66/343347666.db2.gz CTCROLHSTQLQKI-LURJTMIESA-N 2 1 114.192 0.039 50 0 ACAAMP C[C@H]1C[N@@H+](CCC[NH3+])CCCO1 61914797 343367205 /nfs/dbraw/zinc/36/72/05/343367205.db2.gz YKELQXIWZFQQQS-VIFPVBQESA-N 2 1 172.272 0.446 50 0 in-vitro ACAAMP C[C@@H]1C[NH2+]CCC[N@H+]1C 62566219 343374754 /nfs/dbraw/zinc/37/47/54/343374754.db2.gz ZEWCWIZCJWSJFN-SSDOTTSWSA-N 2 1 128.219 0.300 50 0 ACAAMP C[C@H]1C[NH2+]CCC[N@H+]1C 62566222 343375573 /nfs/dbraw/zinc/37/55/73/343375573.db2.gz ZEWCWIZCJWSJFN-ZETCQYMHSA-N 2 1 128.219 0.300 50 0 ACAAMP C[N@H+]1CCC[NH2+]C(C)(C)C1 62566270 343375612 /nfs/dbraw/zinc/37/56/12/343375612.db2.gz GNFASXVYRCRJLO-UHFFFAOYSA-N 2 1 142.246 0.690 50 0 ACAAMP CN1CCC[N@@H+](C)CC12CC[NH2+]CC2 67425107 343410909 /nfs/dbraw/zinc/41/09/09/343410909.db2.gz CVASLOZQHLFASY-UHFFFAOYSA-N 2 1 197.326 0.376 50 0 in-vitro ACAAMP C[N@H+](C1CC[NH2+]CC1)[C@H]1CCOC1 70072526 343473970 /nfs/dbraw/zinc/47/39/70/343473970.db2.gz HMJZJSFFKWTYGW-JTQLQIEISA-N 2 1 184.283 0.459 50 0 ACAAMP CN1CC[NH+]([C@@H]2CC[C@@H]([NH3+])C2)CC1 71499442 343554924 /nfs/dbraw/zinc/55/49/24/343554924.db2.gz GOJZQFAKBDQWEN-NXEZZACHSA-N 2 1 183.299 0.114 50 0 ACAAMP CN1CC[NH+]([C@H]2CC[C@@H]([NH3+])C2)CC1 71499444 343555052 /nfs/dbraw/zinc/55/50/52/343555052.db2.gz GOJZQFAKBDQWEN-ZJUUUORDSA-N 2 1 183.299 0.114 50 0 ACAAMP CN1CC[NH+]([C@H]2CC[C@H]([NH3+])C2)CC1 71499440 343555279 /nfs/dbraw/zinc/55/52/79/343555279.db2.gz GOJZQFAKBDQWEN-UWVGGRQHSA-N 2 1 183.299 0.114 50 0 ACAAMP CN1CC[NH+]([C@@H]2CC[C@H]([NH3+])C2)CC1 71499439 343555345 /nfs/dbraw/zinc/55/53/45/343555345.db2.gz GOJZQFAKBDQWEN-VHSXEESVSA-N 2 1 183.299 0.114 50 0 ACAAMP C[N@H+]1CC[C@H](C2CC[NH2+]CC2)C1 71750054 343557504 /nfs/dbraw/zinc/55/75/04/343557504.db2.gz HJSRDORSYFMKLS-JTQLQIEISA-N 2 1 168.284 0.938 50 0 ACAAMP C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 72194210 343560657 /nfs/dbraw/zinc/56/06/57/343560657.db2.gz JUAZDBSPGMXQEN-QMMMGPOBSA-N 2 1 142.246 0.500 50 0 ACAAMP C[NH+](C)C[C@H]1CC[N@@H+](C)C1 72194209 343560947 /nfs/dbraw/zinc/56/09/47/343560947.db2.gz JUAZDBSPGMXQEN-MRVPVSSYSA-N 2 1 142.246 0.500 50 0 ACAAMP C[NH+]1CCN(C[C@@H]2CC[N@H+](C)C2)CC1 72233291 343567306 /nfs/dbraw/zinc/56/73/06/343567306.db2.gz LLHUGXARJKYRNW-LLVKDONJSA-N 2 1 197.326 0.186 50 0 ACAAMP C[NH+]1CCN(C[C@H]2CC[N@H+](C)C2)CC1 72233292 343567687 /nfs/dbraw/zinc/56/76/87/343567687.db2.gz LLHUGXARJKYRNW-NSHDSACASA-N 2 1 197.326 0.186 50 0 ACAAMP C[C@H]1C[C@H](N2CC[NH2+]CC2)CC[N@H+]1C 73655589 343570900 /nfs/dbraw/zinc/57/09/00/343570900.db2.gz GLOYJXHVEIKBSG-WDEREUQCSA-N 2 1 197.326 0.374 50 0 ACAAMP C[C@H]1C[C@@H](N2CC[NH2+]CC2)CC[N@H+]1C 73655597 343571056 /nfs/dbraw/zinc/57/10/56/343571056.db2.gz GLOYJXHVEIKBSG-QWRGUYRKSA-N 2 1 197.326 0.374 50 0 ACAAMP C[NH+](C)CC1([NH3+])CC1 74934389 343574892 /nfs/dbraw/zinc/57/48/92/343574892.db2.gz ROVFTSSCUXGEQX-UHFFFAOYSA-N 2 1 114.192 0.039 50 0 in-vitro ACAAMP CC(C)[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 74941865 343574992 /nfs/dbraw/zinc/57/49/92/343574992.db2.gz GUDNKWNWSKSETH-YUMQZZPRSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 74941863 343575091 /nfs/dbraw/zinc/57/50/91/343575091.db2.gz GUDNKWNWSKSETH-SFYZADRCSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@](C)(C[NH3+])C1 77260420 343580520 /nfs/dbraw/zinc/58/05/20/343580520.db2.gz YTUPLWQBDZSEKJ-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@](C)(C[NH3+])C1 77260419 343580805 /nfs/dbraw/zinc/58/08/05/343580805.db2.gz YTUPLWQBDZSEKJ-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 78210760 343582323 /nfs/dbraw/zinc/58/23/23/343582323.db2.gz KAWCNZLKKVCXSN-IUCAKERBSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 78210761 343582438 /nfs/dbraw/zinc/58/24/38/343582438.db2.gz KAWCNZLKKVCXSN-BDAKNGLRSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP CC(C)[N@@H+](C)C1CCN(CC[NH3+])CC1 79419004 343588242 /nfs/dbraw/zinc/58/82/42/343588242.db2.gz RSFGKKNVQCGLPS-UHFFFAOYSA-N 2 1 199.342 0.750 50 0 ACAAMP C[N@@H+]1CCC[C@H]2[NH2+]CCC[C@@H]21 79792732 343589680 /nfs/dbraw/zinc/58/96/80/343589680.db2.gz TYDLYZLEIVJSSX-BDAKNGLRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@H]2[NH2+]CCC[C@@H]21 79792732 343589681 /nfs/dbraw/zinc/58/96/81/343589681.db2.gz TYDLYZLEIVJSSX-BDAKNGLRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@@H+]1CCC[C@@H]2[NH2+]CCC[C@@H]21 79792735 343589981 /nfs/dbraw/zinc/58/99/81/343589981.db2.gz TYDLYZLEIVJSSX-IUCAKERBSA-N 2 1 154.257 0.833 50 0 ACAAMP C[C@H](C[NH3+])[C@H]1CCC[N@H+]1C 82028005 343594870 /nfs/dbraw/zinc/59/48/70/343594870.db2.gz BDFFLNPSIJVLES-HTQZYQBOSA-N 2 1 142.246 0.675 50 0 in-vitro ACAAMP C[C@H](C[NH3+])[C@@H]1CCC[N@H+]1C 82028003 343595179 /nfs/dbraw/zinc/59/51/79/343595179.db2.gz BDFFLNPSIJVLES-SFYZADRCSA-N 2 1 142.246 0.675 50 0 in-vitro ACAAMP Cc1c[nH+]cn1CCC[NH3+] 82164129 343596130 /nfs/dbraw/zinc/59/61/30/343596130.db2.gz ORGYIMPJXDYEJQ-UHFFFAOYSA-N 2 1 139.202 0.540 50 0 in-vitro ACAAMP C[N@@H+]1C[C@H]2C[C@@H](C[NH3+])CC[C@H]2C1 82401693 343601334 /nfs/dbraw/zinc/60/13/34/343601334.db2.gz KMKLGROJUUVCRC-LPEHRKFASA-N 2 1 168.284 0.923 50 0 ACAAMP C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 82406864 343601666 /nfs/dbraw/zinc/60/16/66/343601666.db2.gz FOUJBNXTNMXZIX-SECBINFHSA-N 2 1 154.257 0.834 50 0 ACAAMP C[N@H+]1CCC[C@@]12CCC[NH2+]C2 82406864 343601669 /nfs/dbraw/zinc/60/16/69/343601669.db2.gz FOUJBNXTNMXZIX-SECBINFHSA-N 2 1 154.257 0.834 50 0 ACAAMP CC[C@@H]1C[N@@H+](C)CCC[NH2+]1 82409573 343602279 /nfs/dbraw/zinc/60/22/79/343602279.db2.gz GQRSANGDSYJTQN-MRVPVSSYSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP Cc1[nH]c2c([nH+]1)CC[C@@H]([NH3+])C2 82407965 343602292 /nfs/dbraw/zinc/60/22/92/343602292.db2.gz JGCNHPQMPGHGHT-ZCFIWIBFSA-N 2 1 151.213 0.534 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]2C[NH2+]CC[C@H]21 82410151 343602414 /nfs/dbraw/zinc/60/24/14/343602414.db2.gz APQINZAHFHXIRJ-HTQZYQBOSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@]12CCC[NH2+]C2 82406865 343602449 /nfs/dbraw/zinc/60/24/49/343602449.db2.gz FOUJBNXTNMXZIX-VIFPVBQESA-N 2 1 154.257 0.834 50 0 ACAAMP C[N@H+]1CCC[C@]12CCC[NH2+]C2 82406865 343602452 /nfs/dbraw/zinc/60/24/52/343602452.db2.gz FOUJBNXTNMXZIX-VIFPVBQESA-N 2 1 154.257 0.834 50 0 ACAAMP C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 82409604 343602459 /nfs/dbraw/zinc/60/24/59/343602459.db2.gz NQAINYVXJLGSMR-ZETCQYMHSA-N 2 1 142.246 0.675 50 0 ACAAMP C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 82410152 343602571 /nfs/dbraw/zinc/60/25/71/343602571.db2.gz BNLKJYVQFIOOTE-YUMQZZPRSA-N 2 1 140.230 0.158 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 82409605 343602613 /nfs/dbraw/zinc/60/26/13/343602613.db2.gz NQAINYVXJLGSMR-SSDOTTSWSA-N 2 1 142.246 0.675 50 0 ACAAMP CC[C@H]1C[N@@H+](C)CCC[NH2+]1 82409574 343602643 /nfs/dbraw/zinc/60/26/43/343602643.db2.gz GQRSANGDSYJTQN-QMMMGPOBSA-N 2 1 142.246 0.690 50 0 in-vitro ACAAMP Cc1[nH]c2c([nH+]1)CC[C@H]([NH3+])C2 82407966 343602674 /nfs/dbraw/zinc/60/26/74/343602674.db2.gz JGCNHPQMPGHGHT-LURJTMIESA-N 2 1 151.213 0.534 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H]([NH3+])C1(C)C 82411196 343602961 /nfs/dbraw/zinc/60/29/61/343602961.db2.gz XKXMIYMWONOXEY-LURJTMIESA-N 2 1 128.219 0.428 50 0 ACAAMP C[N@@H+]1CCC[C@](C)([NH3+])C1 82411202 343603156 /nfs/dbraw/zinc/60/31/56/343603156.db2.gz FVFCKCLPXCXQNS-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@](C)([NH3+])C1 82411202 343603159 /nfs/dbraw/zinc/60/31/59/343603159.db2.gz FVFCKCLPXCXQNS-ZETCQYMHSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1C 82411200 343603174 /nfs/dbraw/zinc/60/31/74/343603174.db2.gz OGWCETMUBQTQMT-BQBZGAKWSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1C 82411200 343603176 /nfs/dbraw/zinc/60/31/76/343603176.db2.gz OGWCETMUBQTQMT-BQBZGAKWSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@@](C)([NH3+])C1 82411203 343603197 /nfs/dbraw/zinc/60/31/97/343603197.db2.gz FVFCKCLPXCXQNS-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@@](C)([NH3+])C1 82411203 343603198 /nfs/dbraw/zinc/60/31/98/343603198.db2.gz FVFCKCLPXCXQNS-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1C 82411198 343603203 /nfs/dbraw/zinc/60/32/03/343603203.db2.gz OGWCETMUBQTQMT-NKWVEPMBSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1C 82411198 343603205 /nfs/dbraw/zinc/60/32/05/343603205.db2.gz OGWCETMUBQTQMT-NKWVEPMBSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]([NH3+])C1(C)C 82411195 343603300 /nfs/dbraw/zinc/60/33/00/343603300.db2.gz XKXMIYMWONOXEY-ZCFIWIBFSA-N 2 1 128.219 0.428 50 0 ACAAMP C[N@H+](CC[NH3+])C[C@@H]1CCCOC1 82544168 343606319 /nfs/dbraw/zinc/60/63/19/343606319.db2.gz CRADUACUUSULKX-VIFPVBQESA-N 2 1 172.272 0.304 50 0 ACAAMP C[N@@H+](CC[NH3+])C[C@@H]1CCCOC1 82544168 343606323 /nfs/dbraw/zinc/60/63/23/343606323.db2.gz CRADUACUUSULKX-VIFPVBQESA-N 2 1 172.272 0.304 50 0 ACAAMP C[N@H+](CC[NH3+])C[C@H]1CCCOC1 82544169 343606404 /nfs/dbraw/zinc/60/64/04/343606404.db2.gz CRADUACUUSULKX-SECBINFHSA-N 2 1 172.272 0.304 50 0 ACAAMP C[N@@H+](CC[NH3+])C[C@H]1CCCOC1 82544169 343606406 /nfs/dbraw/zinc/60/64/06/343606406.db2.gz CRADUACUUSULKX-SECBINFHSA-N 2 1 172.272 0.304 50 0 ACAAMP CC1(C)CC[N@H+](CC[NH3+])C1 82707694 343610972 /nfs/dbraw/zinc/61/09/72/343610972.db2.gz UOLFIRYVZLZHDX-UHFFFAOYSA-N 2 1 142.246 0.677 50 0 ACAAMP CC1(C)CC[N@@H+](CC[NH3+])C1 82707694 343610976 /nfs/dbraw/zinc/61/09/76/343610976.db2.gz UOLFIRYVZLZHDX-UHFFFAOYSA-N 2 1 142.246 0.677 50 0 ACAAMP C[C@H]1[C@@H](C[NH3+])CC[N@H+]1C 82836393 343613324 /nfs/dbraw/zinc/61/33/24/343613324.db2.gz YVDIJLQWKDKXEJ-NKWVEPMBSA-N 2 1 128.219 0.285 50 0 ACAAMP C[N@H+]1CC[C@@H](CCC[NH3+])C1 82839187 343613344 /nfs/dbraw/zinc/61/33/44/343613344.db2.gz RLIPJKXTTARVGJ-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 ACAAMP C[N@H+]1CC[C@H](CCC[NH3+])C1 82839186 343613521 /nfs/dbraw/zinc/61/35/21/343613521.db2.gz RLIPJKXTTARVGJ-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 ACAAMP C[C@H]1[C@H](C[NH3+])CC[N@H+]1C 82836389 343613547 /nfs/dbraw/zinc/61/35/47/343613547.db2.gz YVDIJLQWKDKXEJ-BQBZGAKWSA-N 2 1 128.219 0.285 50 0 ACAAMP C[C@H]1CCC[NH2+][C@@H]1C[NH3+] 83119303 343616656 /nfs/dbraw/zinc/61/66/56/343616656.db2.gz LXTOOORAYUNLJK-NKWVEPMBSA-N 2 1 128.219 0.333 50 0 in-vitro ACAAMP C[NH2+]C1(C[NH3+])CCC1 83124656 343616801 /nfs/dbraw/zinc/61/68/01/343616801.db2.gz QQNQTARUSRGFQV-UHFFFAOYSA-N 2 1 114.192 0.087 50 0 ACAAMP C[C@H]1CCC[NH2+][C@H]1C[NH3+] 83119305 343616859 /nfs/dbraw/zinc/61/68/59/343616859.db2.gz LXTOOORAYUNLJK-BQBZGAKWSA-N 2 1 128.219 0.333 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 83268608 343618031 /nfs/dbraw/zinc/61/80/31/343618031.db2.gz BMRRCEKQTKZDPU-DTWKUNHWSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 83268609 343618410 /nfs/dbraw/zinc/61/84/10/343618410.db2.gz KAWCNZLKKVCXSN-DTWKUNHWSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[C@H]([NH3+])C1=CC[N@@H+](C)CC1 95347904 343683094 /nfs/dbraw/zinc/68/30/94/343683094.db2.gz FGXZEDMDGLAUPT-ZETCQYMHSA-N 2 1 140.230 0.596 50 0 in-vitro ACAAMP C[N@@H+](CC1CC1)C1CC([NH3+])C1 87653290 343662736 /nfs/dbraw/zinc/66/27/36/343662736.db2.gz SJXZWUVLKSKQLK-UHFFFAOYSA-N 2 1 154.257 0.818 50 0 ACAAMP C[NH+](C)CC1([NH3+])CCC1 88051686 343667240 /nfs/dbraw/zinc/66/72/40/343667240.db2.gz OMTAOOUFJIYVKU-UHFFFAOYSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 88248171 343669434 /nfs/dbraw/zinc/66/94/34/343669434.db2.gz OQHQOOLVQDEIGL-QMMMGPOBSA-N 2 1 140.230 0.302 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 88248173 343669788 /nfs/dbraw/zinc/66/97/88/343669788.db2.gz OQHQOOLVQDEIGL-MRVPVSSYSA-N 2 1 140.230 0.302 50 0 in-vitro ACAAMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88287342 343669886 /nfs/dbraw/zinc/66/98/86/343669886.db2.gz VQPNFKCQRQGJPG-DTORHVGOSA-N 2 1 154.257 0.548 50 0 ACAAMP C[N@@H+]1CC=C(CC[NH3+])CC1 88611786 343671687 /nfs/dbraw/zinc/67/16/87/343671687.db2.gz NVKKKSVOSONJJV-UHFFFAOYSA-N 2 1 140.230 0.597 50 0 in-vitro ACAAMP C[N@@H+]1CC=C(C[NH3+])CC1 90225794 343675104 /nfs/dbraw/zinc/67/51/04/343675104.db2.gz XUELPHBYTUIHJB-UHFFFAOYSA-N 2 1 126.203 0.207 50 0 in-vitro ACAAMP C[NH2+]CC[NH+]1CCCC1 95093693 343680935 /nfs/dbraw/zinc/68/09/35/343680935.db2.gz GYGYDOOXVKDZCF-UHFFFAOYSA-N 2 1 128.219 0.302 50 0 in-vitro ACAAMP C[C@H](F)C[NH+]1CCC([NH3+])CC1 95642798 343685444 /nfs/dbraw/zinc/68/54/44/343685444.db2.gz RMSWGBVNKLAMJW-ZETCQYMHSA-N 2 1 160.236 0.768 50 0 ACAAMP C[N@@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 95742613 343686942 /nfs/dbraw/zinc/68/69/42/343686942.db2.gz TYDLYZLEIVJSSX-RKDXNWHRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 95742613 343686943 /nfs/dbraw/zinc/68/69/43/343686943.db2.gz TYDLYZLEIVJSSX-RKDXNWHRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1[C@H]2CCC[C@@H]1C[C@H]([NH3+])C2 100004023 343707912 /nfs/dbraw/zinc/70/79/12/343707912.db2.gz HTZWHTQVHWHSHN-AYMMMOKOSA-N 2 1 154.257 0.960 50 0 in-vitro ACAAMP C[N@H+]1[C@H]2CCC[C@@H]1C[C@@H]([NH3+])C2 100005263 343708288 /nfs/dbraw/zinc/70/82/88/343708288.db2.gz HTZWHTQVHWHSHN-PSVAKVPMSA-N 2 1 154.257 0.960 50 0 in-vitro ACAAMP C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 100111726 343711263 /nfs/dbraw/zinc/71/12/63/343711263.db2.gz HJGMRAKQWLKWMH-WHUPJOBBSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP [NH3+][C@@H]1CC[N@H+]2CCCC[C@H]12 101266571 343723166 /nfs/dbraw/zinc/72/31/66/343723166.db2.gz RBFAPBHHGYLKEK-HTQZYQBOSA-N 2 1 140.230 0.572 50 0 ACAAMP [NH3+][C@H]1CC[N@H+]2CCCC[C@H]12 101266573 343723186 /nfs/dbraw/zinc/72/31/86/343723186.db2.gz RBFAPBHHGYLKEK-JGVFFNPUSA-N 2 1 140.230 0.572 50 0 ACAAMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH3+] 101662112 343724948 /nfs/dbraw/zinc/72/49/48/343724948.db2.gz KJSCOXHVQCIXQY-POYBYMJQSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH3+] 101662112 343724949 /nfs/dbraw/zinc/72/49/49/343724949.db2.gz KJSCOXHVQCIXQY-POYBYMJQSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[N@H+]1C[C@@H]2CC[C@@H](C[NH3+])C[C@H]2C1 102205361 343725562 /nfs/dbraw/zinc/72/55/62/343725562.db2.gz KMKLGROJUUVCRC-UTLUCORTSA-N 2 1 168.284 0.923 50 0 ACAAMP C[N@H+]1C[C@@H]2CC[C@H](C[NH3+])C[C@H]2C1 102205363 343725667 /nfs/dbraw/zinc/72/56/67/343725667.db2.gz KMKLGROJUUVCRC-GUBZILKMSA-N 2 1 168.284 0.923 50 0 ACAAMP C[N@H+]1CC[C@H](OC2CC[NH2+]CC2)C1 117576117 343772647 /nfs/dbraw/zinc/77/26/47/343772647.db2.gz LBNWKYKQUAGHLO-JTQLQIEISA-N 2 1 184.283 0.459 50 0 ACAAMP C[N@H+]1CC[C@@H](OC2CC[NH2+]CC2)C1 117576120 343772836 /nfs/dbraw/zinc/77/28/36/343772836.db2.gz LBNWKYKQUAGHLO-SNVBAGLBSA-N 2 1 184.283 0.459 50 0 ACAAMP [NH3+][C@@H]1C[NH2+]CC12CCCCC2 140633811 344001296 /nfs/dbraw/zinc/00/12/96/344001296.db2.gz JQYIZSBKOZYAQL-MRVPVSSYSA-N 2 1 154.257 0.867 50 0 ACAAMP [NH3+][C@H]1C[NH2+]CC12CCCCC2 140633636 344001367 /nfs/dbraw/zinc/00/13/67/344001367.db2.gz JQYIZSBKOZYAQL-QMMMGPOBSA-N 2 1 154.257 0.867 50 0 ACAAMP C[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 142819316 344015278 /nfs/dbraw/zinc/01/52/78/344015278.db2.gz HKEYMXAVHZTUBS-RNJXMRFFSA-N 2 1 140.230 0.285 50 0 ACAAMP N#CC1CC[NH+](C2CC[NH2+]CC2)CC1 145923216 344037177 /nfs/dbraw/zinc/03/71/77/344037177.db2.gz ANDRXMAVSOONTQ-UHFFFAOYSA-N 2 1 193.294 0.974 50 0 ACAAMP C[N@@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 148847963 344059827 /nfs/dbraw/zinc/05/98/27/344059827.db2.gz TYDLYZLEIVJSSX-DTWKUNHWSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 148847963 344059830 /nfs/dbraw/zinc/05/98/30/344059830.db2.gz TYDLYZLEIVJSSX-DTWKUNHWSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 158742877 344131908 /nfs/dbraw/zinc/13/19/08/344131908.db2.gz WDTYUDKGVGNUJZ-YIZRAAEISA-N 2 1 154.257 0.675 50 0 ACAAMP C[C@H]1C[C@H]1[N@H+]1CC[NH2+]C[C@@H](C)C1 216465790 344397468 /nfs/dbraw/zinc/39/74/68/344397468.db2.gz PCVJSECWGNSVQE-KXUCPTDWSA-N 2 1 168.284 0.936 50 0 in-vitro ACAAMP C[C@H]1C[C@@H]1[N@H+]1CC[NH2+]C[C@@H](C)C1 216465708 344397595 /nfs/dbraw/zinc/39/75/95/344397595.db2.gz PCVJSECWGNSVQE-UTLUCORTSA-N 2 1 168.284 0.936 50 0 in-vitro ACAAMP C[C@@H]1C[C@H]([NH+]2CCCC2)C[NH2+]1 225146648 344477196 /nfs/dbraw/zinc/47/71/96/344477196.db2.gz CMBGIRGMEDANQP-BDAKNGLRSA-N 2 1 154.257 0.833 50 0 in-vitro ACAAMP C[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228067145 344556667 /nfs/dbraw/zinc/55/66/67/344556667.db2.gz WDTYUDKGVGNUJZ-DJLDLDEBSA-N 2 1 154.257 0.675 50 0 ACAAMP C[NH+](C)Cc1cc2n(n1)CCC[NH2+]C2 238334554 344801557 /nfs/dbraw/zinc/80/15/57/344801557.db2.gz PHHWYFFNYJMVNX-UHFFFAOYSA-N 2 1 194.282 0.438 50 0 ACAAMP C[C@H]1C[C@@H]([NH+]2CCCC2)C[NH2+]1 238850672 344823265 /nfs/dbraw/zinc/82/32/65/344823265.db2.gz CMBGIRGMEDANQP-DTWKUNHWSA-N 2 1 154.257 0.833 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 238850431 344823294 /nfs/dbraw/zinc/82/32/94/344823294.db2.gz BNLKJYVQFIOOTE-SFYZADRCSA-N 2 1 140.230 0.158 50 0 in-vitro ACAAMP C[C@H]1C[C@H]([NH+]2CCCC2)C[NH2+]1 238850673 344823314 /nfs/dbraw/zinc/82/33/14/344823314.db2.gz CMBGIRGMEDANQP-IUCAKERBSA-N 2 1 154.257 0.833 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](C)CC[C@H]1N1CC[NH2+]CC1 242728127 344825745 /nfs/dbraw/zinc/82/57/45/344825745.db2.gz YUGJABFUFIIICU-WDEREUQCSA-N 2 1 197.326 0.232 50 0 ACAAMP C[N@@H+]1C[C@H]2C[C@H]([NH3+])CC[C@H]2C1 250653603 344838464 /nfs/dbraw/zinc/83/84/64/344838464.db2.gz XIBWVLMVXUPBMI-DJLDLDEBSA-N 2 1 154.257 0.675 50 0 ACAAMP C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 250653605 344838578 /nfs/dbraw/zinc/83/85/78/344838578.db2.gz XIBWVLMVXUPBMI-XHNCKOQMSA-N 2 1 154.257 0.675 50 0 ACAAMP C[N@H+]1C[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 250653602 344838622 /nfs/dbraw/zinc/83/86/22/344838622.db2.gz XIBWVLMVXUPBMI-CIUDSAMLSA-N 2 1 154.257 0.675 50 0 ACAAMP C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252707128 344909696 /nfs/dbraw/zinc/90/96/96/344909696.db2.gz WDTYUDKGVGNUJZ-XHNCKOQMSA-N 2 1 154.257 0.675 50 0 ACAAMP C1C[C@]23C[C@@H]4[NH2+][C@H](C2)[C@H]2C[NH2+][C@H]4[C@]23C1 257356362 344942103 /nfs/dbraw/zinc/94/21/03/344942103.db2.gz HPTRPHQNVAUXCH-RFHDDPBLSA-N 2 1 190.290 0.879 50 0 ACAAMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](O)C1 306394428 345257087 /nfs/dbraw/zinc/25/70/87/345257087.db2.gz DTOPDICROYGMMP-UTLUCORTSA-N 2 1 184.283 0.051 50 0 ACAAMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H](O)C1 306394427 345257058 /nfs/dbraw/zinc/25/70/58/345257058.db2.gz DTOPDICROYGMMP-BBBLOLIVSA-N 2 1 184.283 0.051 50 0 ACAAMP C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307023275 345759608 /nfs/dbraw/zinc/75/96/08/345759608.db2.gz HKEYMXAVHZTUBS-FXQIFTODSA-N 2 1 140.230 0.285 50 0 ACAAMP C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307023274 345759931 /nfs/dbraw/zinc/75/99/31/345759931.db2.gz HKEYMXAVHZTUBS-BIIVOSGPSA-N 2 1 140.230 0.285 50 0 ACAAMP CC1([N@H+]2CC[C@H](O)C2)CC[NH2+]CC1 601012571 346918749 /nfs/dbraw/zinc/91/87/49/346918749.db2.gz NVGPGKPLCXFRNV-VIFPVBQESA-N 2 1 184.283 0.195 50 0 ACAAMP CC1([N@H+]2CC[C@@H](O)C2)CC[NH2+]CC1 601012570 346918772 /nfs/dbraw/zinc/91/87/72/346918772.db2.gz NVGPGKPLCXFRNV-SECBINFHSA-N 2 1 184.283 0.195 50 0 ACAAMP CC(C)C[N@@H+]1CCO[C@@H](C[NH3+])C1 4206143 351325812 /nfs/dbraw/zinc/32/58/12/351325812.db2.gz JZLWZSHYJMTUMA-VIFPVBQESA-N 2 1 172.272 0.302 50 0 in-vitro ACAAMP CC(C)C[N@@H+]1CCO[C@H](C[NH3+])C1 4206141 351325655 /nfs/dbraw/zinc/32/56/55/351325655.db2.gz JZLWZSHYJMTUMA-SECBINFHSA-N 2 1 172.272 0.302 50 0 in-vitro ACAAMP CC(C)C[N@H+]1CCO[C@H](C[NH3+])C1 4206141 351325657 /nfs/dbraw/zinc/32/56/57/351325657.db2.gz JZLWZSHYJMTUMA-SECBINFHSA-N 2 1 172.272 0.302 50 0 in-vitro ACAAMP CC(C)C[N@H+]1CCO[C@@H](C[NH3+])C1 4206143 351325813 /nfs/dbraw/zinc/32/58/13/351325813.db2.gz JZLWZSHYJMTUMA-VIFPVBQESA-N 2 1 172.272 0.302 50 0 in-vitro ACAAMP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH3+])C1 4343729 351328388 /nfs/dbraw/zinc/32/83/88/351328388.db2.gz KPCLAQXYYFURIR-RKDXNWHRSA-N 2 1 172.272 0.038 50 0 ACAAMP CC(C)C[N@H+]1CC[C@@H](C[NH3+])C1 11891207 351361780 /nfs/dbraw/zinc/36/17/80/351361780.db2.gz SMPLBVCPNOWSNS-VIFPVBQESA-N 2 1 156.273 0.923 50 0 in-vitro ACAAMP CC(C)C[N@H+]1CC[C@H](C[NH3+])C1 11891212 351362192 /nfs/dbraw/zinc/36/21/92/351362192.db2.gz SMPLBVCPNOWSNS-SECBINFHSA-N 2 1 156.273 0.923 50 0 in-vitro ACAAMP O[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 12343449 351363616 /nfs/dbraw/zinc/36/36/16/351363616.db2.gz NNQUIJQEUBAMTA-JTQLQIEISA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP C[C@@H]1C[NH+](CCC[NH3+])C[C@@H](C)O1 12505386 351366495 /nfs/dbraw/zinc/36/64/95/351366495.db2.gz NIFZHABTMWBHTG-RKDXNWHRSA-N 2 1 172.272 0.444 50 0 in-vitro ACAAMP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH3+])C1 13151262 351367598 /nfs/dbraw/zinc/36/75/98/351367598.db2.gz KPCLAQXYYFURIR-BDAKNGLRSA-N 2 1 172.272 0.038 50 0 ACAAMP OC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 19093425 351387985 /nfs/dbraw/zinc/38/79/85/351387985.db2.gz PEQIEMJCOKSLBT-JTQLQIEISA-N 2 1 198.310 0.443 50 0 ACAAMP OCCn1c[nH+]cc1C1CC[NH2+]CC1 19686478 351393208 /nfs/dbraw/zinc/39/32/08/351393208.db2.gz BMCZOVNVBKQRHW-UHFFFAOYSA-N 2 1 195.266 0.342 50 0 ACAAMP CC(C)C[N@@H+](C)CCC[NH3+] 19834735 351394932 /nfs/dbraw/zinc/39/49/32/351394932.db2.gz IUOMCBLLCDSYCD-UHFFFAOYSA-N 2 1 144.262 0.923 50 0 ACAAMP CC(C)C[C@H]([NH3+])C[NH+](C)C 20074026 351400338 /nfs/dbraw/zinc/40/03/38/351400338.db2.gz SYGGWSCXCCJJFT-QMMMGPOBSA-N 2 1 144.262 0.921 50 0 in-vitro ACAAMP CC(C)C[C@@H]([NH3+])C[NH+](C)C 20074024 351400367 /nfs/dbraw/zinc/40/03/67/351400367.db2.gz SYGGWSCXCCJJFT-MRVPVSSYSA-N 2 1 144.262 0.921 50 0 in-vitro ACAAMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CC1 23844651 351416273 /nfs/dbraw/zinc/41/62/73/351416273.db2.gz BXEZDTWKLTUSIV-RQJHMYQMSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH3+] 20775028 351407608 /nfs/dbraw/zinc/40/76/08/351407608.db2.gz KJSCOXHVQCIXQY-SVRRBLITSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH3+] 20775028 351407611 /nfs/dbraw/zinc/40/76/11/351407611.db2.gz KJSCOXHVQCIXQY-SVRRBLITSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH3+] 22130072 351411901 /nfs/dbraw/zinc/41/19/01/351411901.db2.gz WLFDKDVGHUCVFY-RQJHMYQMSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP CC(C)C[C@H](C[NH3+])[NH+](C)C 22921552 351414338 /nfs/dbraw/zinc/41/43/38/351414338.db2.gz UQFMHTQPKOPGTA-MRVPVSSYSA-N 2 1 144.262 0.921 50 0 in-vitro ACAAMP CC(C)C[C@@H](C[NH3+])[NH+](C)C 22921547 351414920 /nfs/dbraw/zinc/41/49/20/351414920.db2.gz UQFMHTQPKOPGTA-QMMMGPOBSA-N 2 1 144.262 0.921 50 0 in-vitro ACAAMP CC(C)C[N@@H+]1CC[C@@H]([NH3+])C1 22942090 351415000 /nfs/dbraw/zinc/41/50/00/351415000.db2.gz VYADNUJXDLIYRM-MRVPVSSYSA-N 2 1 142.246 0.675 50 0 ACAAMP CC(C)C[N@H+]1CC[C@@H]([NH3+])C1 22942090 351415001 /nfs/dbraw/zinc/41/50/01/351415001.db2.gz VYADNUJXDLIYRM-MRVPVSSYSA-N 2 1 142.246 0.675 50 0 ACAAMP C[C@@H]1C[N@@H+](C)CCC[NH2+]1 23093928 351415013 /nfs/dbraw/zinc/41/50/13/351415013.db2.gz CPZHVHQMQBDZMW-SSDOTTSWSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP CC(C)C[N@@H+]1CC[C@H]([NH3+])C1 22942094 351415046 /nfs/dbraw/zinc/41/50/46/351415046.db2.gz VYADNUJXDLIYRM-QMMMGPOBSA-N 2 1 142.246 0.675 50 0 ACAAMP CC(C)C[N@H+]1CC[C@H]([NH3+])C1 22942094 351415047 /nfs/dbraw/zinc/41/50/47/351415047.db2.gz VYADNUJXDLIYRM-QMMMGPOBSA-N 2 1 142.246 0.675 50 0 ACAAMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CC1 23844644 351416252 /nfs/dbraw/zinc/41/62/52/351416252.db2.gz BXEZDTWKLTUSIV-RNFRBKRXSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CC1 23844644 351416254 /nfs/dbraw/zinc/41/62/54/351416254.db2.gz BXEZDTWKLTUSIV-RNFRBKRXSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CC1 23844651 351416277 /nfs/dbraw/zinc/41/62/77/351416277.db2.gz BXEZDTWKLTUSIV-RQJHMYQMSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP Nc1cc[nH+]c2c1C[NH2+]CC2 24625064 351417187 /nfs/dbraw/zinc/41/71/87/351417187.db2.gz WQOCIAIXVFNOKT-UHFFFAOYSA-N 2 1 149.197 0.310 50 0 ACAAMP CC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 31996779 351424218 /nfs/dbraw/zinc/42/42/18/351424218.db2.gz UYZDDPIZRFTWMM-HTQZYQBOSA-N 2 1 142.246 0.818 50 0 ACAAMP CC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 31996779 351424222 /nfs/dbraw/zinc/42/42/22/351424222.db2.gz UYZDDPIZRFTWMM-HTQZYQBOSA-N 2 1 142.246 0.818 50 0 ACAAMP CCO[C@H]1C[N@@H+](CC)C[C@@H]1N 33414650 351430196 /nfs/dbraw/zinc/43/01/96/351430196.db2.gz NXWPZLVVLITYTP-YUMQZZPRSA-N 2 1 158.245 0.054 50 0 in-vitro ACAAMP CC(C)C[C@H]([NH3+])C[NH3+] 33882230 351432282 /nfs/dbraw/zinc/43/22/82/351432282.db2.gz LGNSOKKCXYBTOL-LURJTMIESA-N 2 1 116.208 0.319 50 0 in-vitro ACAAMP CC(C)C[C@@H]([NH3+])C[NH3+] 33882231 351432503 /nfs/dbraw/zinc/43/25/03/351432503.db2.gz LGNSOKKCXYBTOL-ZCFIWIBFSA-N 2 1 116.208 0.319 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH3+] 36907425 351459959 /nfs/dbraw/zinc/45/99/59/351459959.db2.gz QDZDLPPKTNOOAE-BWZBUEFSSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH3+] 36907423 351460280 /nfs/dbraw/zinc/46/02/80/351460280.db2.gz QDZDLPPKTNOOAE-PRJMDXOYSA-N 2 1 142.246 0.674 50 0 in-vitro ACAAMP C[C@@H]1CCC[N@@H+]1CC[NH3+] 37910069 351475343 /nfs/dbraw/zinc/47/53/43/351475343.db2.gz CWCJURPRDOORGY-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[C@@H]1CCC[N@H+]1CC[NH3+] 37910069 351475345 /nfs/dbraw/zinc/47/53/45/351475345.db2.gz CWCJURPRDOORGY-SSDOTTSWSA-N 2 1 128.219 0.429 50 0 in-vitro ACAAMP C[C@@H]1CCC[N@H+]1CCC[NH3+] 37910067 351475822 /nfs/dbraw/zinc/47/58/22/351475822.db2.gz IIHQYQVGFVPFFI-MRVPVSSYSA-N 2 1 142.246 0.820 50 0 ACAAMP CC(C)C[NH2+]CC[NH3+] 38609703 351483354 /nfs/dbraw/zinc/48/33/54/351483354.db2.gz RJCXIVJEQLXULD-UHFFFAOYSA-N 2 1 116.208 0.191 50 0 ACAAMP C[C@@H]1CC[N@H+](C)CC[NH2+]1 38864331 351484380 /nfs/dbraw/zinc/48/43/80/351484380.db2.gz YXHIPTFPIOGDBW-SSDOTTSWSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP C[C@@H]1CC[N@@H+](C)CC[NH2+]1 38864331 351484383 /nfs/dbraw/zinc/48/43/83/351484383.db2.gz YXHIPTFPIOGDBW-SSDOTTSWSA-N 2 1 128.219 0.300 50 0 in-vitro ACAAMP O[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 42783249 351524827 /nfs/dbraw/zinc/52/48/27/351524827.db2.gz IKABXZXCBOWJQX-UWVGGRQHSA-N 2 1 184.283 0.053 50 0 in-vitro ACAAMP O[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 42783262 351524959 /nfs/dbraw/zinc/52/49/59/351524959.db2.gz WXVDBFXDHSABOA-JTQLQIEISA-N 2 1 184.283 0.053 50 0 ACAAMP O[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 42783330 351525122 /nfs/dbraw/zinc/52/51/22/351525122.db2.gz GLDOVZMBTYZZBC-MNOVXSKESA-N 2 1 198.310 0.585 50 0 ACAAMP O[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 42783390 351525257 /nfs/dbraw/zinc/52/52/57/351525257.db2.gz GELMPGZBWGOERF-NSHDSACASA-N 2 1 198.310 0.443 50 0 ACAAMP O[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 42783347 351525292 /nfs/dbraw/zinc/52/52/92/351525292.db2.gz ITCKZTXYVNOKOQ-MNOVXSKESA-N 2 1 198.310 0.443 50 0 in-vitro ACAAMP O[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 42783329 351525361 /nfs/dbraw/zinc/52/53/61/351525361.db2.gz GLDOVZMBTYZZBC-QWRGUYRKSA-N 2 1 198.310 0.585 50 0 ACAAMP O[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 42783250 351525402 /nfs/dbraw/zinc/52/54/02/351525402.db2.gz IKABXZXCBOWJQX-ZJUUUORDSA-N 2 1 184.283 0.053 50 0 in-vitro ACAAMP O[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 42783348 351525417 /nfs/dbraw/zinc/52/54/17/351525417.db2.gz ITCKZTXYVNOKOQ-QWRGUYRKSA-N 2 1 198.310 0.443 50 0 in-vitro ACAAMP O[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 42783263 351525422 /nfs/dbraw/zinc/52/54/22/351525422.db2.gz WXVDBFXDHSABOA-SNVBAGLBSA-N 2 1 184.283 0.053 50 0 ACAAMP CC(C)C[NH2+][C@H]1CCC[NH2+]C1 43323703 351527493 /nfs/dbraw/zinc/52/74/93/351527493.db2.gz VPMHSGIKZYHJFA-VIFPVBQESA-N 2 1 156.273 0.984 50 0 ACAAMP CC(C)C[NH2+][C@@H]1CCC[NH2+]C1 43323701 351527878 /nfs/dbraw/zinc/52/78/78/351527878.db2.gz VPMHSGIKZYHJFA-SECBINFHSA-N 2 1 156.273 0.984 50 0 ACAAMP Cc1[nH+]ccn1C[C@H]1CCC[NH2+]1 43495984 351528650 /nfs/dbraw/zinc/52/86/50/351528650.db2.gz LGXDFHZIAJFYAJ-SECBINFHSA-N 2 1 165.240 0.944 50 0 ACAAMP Cc1[nH+]ccn1C[C@@H]1CCC[NH2+]1 43495982 351528700 /nfs/dbraw/zinc/52/87/00/351528700.db2.gz LGXDFHZIAJFYAJ-VIFPVBQESA-N 2 1 165.240 0.944 50 0 ACAAMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C 49694172 351548626 /nfs/dbraw/zinc/54/86/26/351548626.db2.gz BVVHNDKLDKPYCI-RQJHMYQMSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C 49694170 351548651 /nfs/dbraw/zinc/54/86/51/351548651.db2.gz BVVHNDKLDKPYCI-RNFRBKRXSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH3+] 49693993 351548682 /nfs/dbraw/zinc/54/86/82/351548682.db2.gz YPBOFUPYTPWEQK-VWYCJHECSA-N 2 1 198.310 0.835 50 0 in-vitro ACAAMP C[C@H]1C[NH2+]CC[N@H+](C2CC2)C1 49661513 351548692 /nfs/dbraw/zinc/54/86/92/351548692.db2.gz KAIJRBAQNQXBMU-QMMMGPOBSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[C@@H]1C[NH2+]CC[N@H+](C2CC2)C1 49661511 351548751 /nfs/dbraw/zinc/54/87/51/351548751.db2.gz KAIJRBAQNQXBMU-MRVPVSSYSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP C[C@@H]1C[NH2+]CC[N@@H+](C)C1 49660797 351548760 /nfs/dbraw/zinc/54/87/60/351548760.db2.gz SFCRWIPFNLBDHS-SSDOTTSWSA-N 2 1 128.219 0.158 50 0 ACAAMP C[C@H]1C[NH2+]CC[N@@H+](C)C1 49660799 351548837 /nfs/dbraw/zinc/54/88/37/351548837.db2.gz SFCRWIPFNLBDHS-ZETCQYMHSA-N 2 1 128.219 0.158 50 0 ACAAMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 49694173 351548923 /nfs/dbraw/zinc/54/89/23/351548923.db2.gz BVVHNDKLDKPYCI-BQBZGAKWSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C 49694171 351548964 /nfs/dbraw/zinc/54/89/64/351548964.db2.gz BVVHNDKLDKPYCI-NKWVEPMBSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP CC(C)(O)C[N@H+]1CC[C@@H](C[NH3+])C1 50249310 351553211 /nfs/dbraw/zinc/55/32/11/351553211.db2.gz XTVJEOGYMNLFJB-QMMMGPOBSA-N 2 1 172.272 0.038 50 0 in-vitro ACAAMP CC(C)(O)C[N@H+]1CC[C@H](C[NH3+])C1 50249308 351553262 /nfs/dbraw/zinc/55/32/62/351553262.db2.gz XTVJEOGYMNLFJB-MRVPVSSYSA-N 2 1 172.272 0.038 50 0 in-vitro ACAAMP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 72307579 351618280 /nfs/dbraw/zinc/61/82/80/351618280.db2.gz WQFNLMMCEOJFQE-VHSXEESVSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 72307579 351618284 /nfs/dbraw/zinc/61/82/84/351618284.db2.gz WQFNLMMCEOJFQE-VHSXEESVSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP OC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 72307578 351618394 /nfs/dbraw/zinc/61/83/94/351618394.db2.gz WQFNLMMCEOJFQE-NXEZZACHSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP OC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 72307578 351618398 /nfs/dbraw/zinc/61/83/98/351618398.db2.gz WQFNLMMCEOJFQE-NXEZZACHSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP C[C@@H]1C[C@@H](N2CC[NH2+]CC2)CC[N@H+]1C 73655595 351621212 /nfs/dbraw/zinc/62/12/12/351621212.db2.gz GLOYJXHVEIKBSG-MNOVXSKESA-N 2 1 197.326 0.374 50 0 ACAAMP C[C@@H]1C[C@H](N2CC[NH2+]CC2)CC[N@H+]1C 73655587 351621371 /nfs/dbraw/zinc/62/13/71/351621371.db2.gz GLOYJXHVEIKBSG-GHMZBOCLSA-N 2 1 197.326 0.374 50 0 ACAAMP C[C@@H]1CCC[C@H](C[NH3+])[NH2+]1 78725089 351628555 /nfs/dbraw/zinc/62/85/55/351628555.db2.gz WHLLXSYTXPBWIW-RNFRBKRXSA-N 2 1 128.219 0.476 50 0 ACAAMP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C 82411197 351637790 /nfs/dbraw/zinc/63/77/90/351637790.db2.gz OGWCETMUBQTQMT-RNFRBKRXSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C 82411197 351637794 /nfs/dbraw/zinc/63/77/94/351637794.db2.gz OGWCETMUBQTQMT-RNFRBKRXSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1C 82411199 351637892 /nfs/dbraw/zinc/63/78/92/351637892.db2.gz OGWCETMUBQTQMT-RQJHMYQMSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C 82411199 351637895 /nfs/dbraw/zinc/63/78/95/351637895.db2.gz OGWCETMUBQTQMT-RQJHMYQMSA-N 2 1 128.219 0.428 50 0 in-vitro ACAAMP C[C@@H]1[C@H](C[NH3+])CC[N@H+]1C 82836387 351642509 /nfs/dbraw/zinc/64/25/09/351642509.db2.gz YVDIJLQWKDKXEJ-RQJHMYQMSA-N 2 1 128.219 0.285 50 0 ACAAMP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C 82836391 351642626 /nfs/dbraw/zinc/64/26/26/351642626.db2.gz YVDIJLQWKDKXEJ-RNFRBKRXSA-N 2 1 128.219 0.285 50 0 ACAAMP C[C@@H]1CCC[NH2+][C@@H]1C[NH3+] 83119302 351643209 /nfs/dbraw/zinc/64/32/09/351643209.db2.gz LXTOOORAYUNLJK-RNFRBKRXSA-N 2 1 128.219 0.333 50 0 in-vitro ACAAMP C[C@@H]1CCC[NH2+][C@H]1C[NH3+] 83119304 351643372 /nfs/dbraw/zinc/64/33/72/351643372.db2.gz LXTOOORAYUNLJK-RQJHMYQMSA-N 2 1 128.219 0.333 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@@H](C[NH3+])C1 98193435 351685050 /nfs/dbraw/zinc/68/50/50/351685050.db2.gz QQVUZSSMFQVXJA-QMMMGPOBSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP C[N@H+]1CCCC[C@H](C[NH3+])C1 98193434 351685303 /nfs/dbraw/zinc/68/53/03/351685303.db2.gz QQVUZSSMFQVXJA-MRVPVSSYSA-N 2 1 142.246 0.677 50 0 in-vitro ACAAMP C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 100013524 351686796 /nfs/dbraw/zinc/68/67/96/351686796.db2.gz HJGMRAKQWLKWMH-RNLVFQAGSA-N 2 1 140.230 0.570 50 0 in-vitro ACAAMP C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 100056732 351688557 /nfs/dbraw/zinc/68/85/57/351688557.db2.gz BKVNPJOJIGXEPB-SFYZADRCSA-N 2 1 140.230 0.158 50 0 ACAAMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 100464920 351697155 /nfs/dbraw/zinc/69/71/55/351697155.db2.gz GLDOVZMBTYZZBC-WDEREUQCSA-N 2 1 198.310 0.585 50 0 ACAAMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 100464930 351697257 /nfs/dbraw/zinc/69/72/57/351697257.db2.gz ITCKZTXYVNOKOQ-WDEREUQCSA-N 2 1 198.310 0.443 50 0 in-vitro ACAAMP O[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 100464897 351697271 /nfs/dbraw/zinc/69/72/71/351697271.db2.gz IKABXZXCBOWJQX-NXEZZACHSA-N 2 1 184.283 0.053 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH3+] 101270612 351704941 /nfs/dbraw/zinc/70/49/41/351704941.db2.gz WLFDKDVGHUCVFY-RNFRBKRXSA-N 2 1 128.219 0.285 50 0 in-vitro ACAAMP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 101648308 351705759 /nfs/dbraw/zinc/70/57/59/351705759.db2.gz WQFNLMMCEOJFQE-UWVGGRQHSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 101648308 351705761 /nfs/dbraw/zinc/70/57/61/351705761.db2.gz WQFNLMMCEOJFQE-UWVGGRQHSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 206096832 351785410 /nfs/dbraw/zinc/78/54/10/351785410.db2.gz WQFNLMMCEOJFQE-ZJUUUORDSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 206096832 351785411 /nfs/dbraw/zinc/78/54/11/351785411.db2.gz WQFNLMMCEOJFQE-ZJUUUORDSA-N 2 1 184.283 0.195 50 0 in-vitro ACAAMP C[C@@]1(O)CC[N@H+](C2CC[NH2+]CC2)C1 235451202 351816569 /nfs/dbraw/zinc/81/65/69/351816569.db2.gz JETHHTDPNQBAEA-SNVBAGLBSA-N 2 1 184.283 0.195 50 0 ACAAMP C[C@]1(O)CC[N@H+](C2CC[NH2+]CC2)C1 235748531 351817564 /nfs/dbraw/zinc/81/75/64/351817564.db2.gz JETHHTDPNQBAEA-JTQLQIEISA-N 2 1 184.283 0.195 50 0 ACAAMP C[N@@H+]1CC[NH2+]C[C@H](COCC2CC2)C1 238317911 351820115 /nfs/dbraw/zinc/82/01/15/351820115.db2.gz OEQDNZGLDJRVAV-NSHDSACASA-N 2 1 198.310 0.564 50 0 ACAAMP C[N@H+]1CC[NH2+]C[C@H](COCC2CC2)C1 238317911 351820117 /nfs/dbraw/zinc/82/01/17/351820117.db2.gz OEQDNZGLDJRVAV-NSHDSACASA-N 2 1 198.310 0.564 50 0 ACAAMP C[N@@H+]1CC[NH2+]C[C@@H](COCC2CC2)C1 238317871 351820376 /nfs/dbraw/zinc/82/03/76/351820376.db2.gz OEQDNZGLDJRVAV-LLVKDONJSA-N 2 1 198.310 0.564 50 0 ACAAMP C[N@H+]1CC[NH2+]C[C@@H](COCC2CC2)C1 238317871 351820380 /nfs/dbraw/zinc/82/03/80/351820380.db2.gz OEQDNZGLDJRVAV-LLVKDONJSA-N 2 1 198.310 0.564 50 0 ACAAMP O[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 238853097 351825089 /nfs/dbraw/zinc/82/50/89/351825089.db2.gz IKABXZXCBOWJQX-VHSXEESVSA-N 2 1 184.283 0.053 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH3+] 238853599 351825718 /nfs/dbraw/zinc/82/57/18/351825718.db2.gz KJSCOXHVQCIXQY-HTRCEHHLSA-N 2 1 140.230 0.428 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C)CC[C@H]1N1CC[NH2+]CC1 242728126 351829351 /nfs/dbraw/zinc/82/93/51/351829351.db2.gz YUGJABFUFIIICU-GHMZBOCLSA-N 2 1 197.326 0.232 50 0 ACAAMP O[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 247963488 351830469 /nfs/dbraw/zinc/83/04/69/351830469.db2.gz GLDOVZMBTYZZBC-GHMZBOCLSA-N 2 1 198.310 0.585 50 0 ACAAMP O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 251093714 351833828 /nfs/dbraw/zinc/83/38/28/351833828.db2.gz ITCKZTXYVNOKOQ-GHMZBOCLSA-N 2 1 198.310 0.443 50 0 in-vitro ACAAMP CCc1[nH+]ccn1CC1C[NH2+]C1 306928308 351975161 /nfs/dbraw/zinc/97/51/61/351975161.db2.gz XSVWRBIEWSOCCK-UHFFFAOYSA-N 2 1 165.240 0.665 50 0 ACAAMP Cc1[nH+]ccn1CC1C[NH2+]C1 306998176 351980182 /nfs/dbraw/zinc/98/01/82/351980182.db2.gz XUNTVQSCTHYEHF-UHFFFAOYSA-N 2 1 151.213 0.411 50 0 ACAAMP [NH3+]C[C@@H]1CC[N@@H+]1C1CCOCC1 575514368 352483413 /nfs/dbraw/zinc/48/34/13/352483413.db2.gz JQAOPTRHKRAYKE-VIFPVBQESA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+]C[C@@H]1CC[N@H+]1C1CCOCC1 575514368 352483415 /nfs/dbraw/zinc/48/34/15/352483415.db2.gz JQAOPTRHKRAYKE-VIFPVBQESA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+]C[C@H]1CC[N@@H+]1C1CCOCC1 575514367 352483640 /nfs/dbraw/zinc/48/36/40/352483640.db2.gz JQAOPTRHKRAYKE-SECBINFHSA-N 2 1 170.256 0.198 50 0 ACAAMP [NH3+]C[C@H]1CC[N@H+]1C1CCOCC1 575514367 352483642 /nfs/dbraw/zinc/48/36/42/352483642.db2.gz JQAOPTRHKRAYKE-SECBINFHSA-N 2 1 170.256 0.198 50 0 ACAAMP C[C@H]1C[N@H+](CCC(N)=[NH2+])C[C@@H](C)O1 19428259 371626474 /nfs/dbraw/zinc/62/64/74/371626474.db2.gz QMZHYAVIOCGEBN-OCAPTIKFSA-N 2 1 185.271 0.422 50 0 in-vitro ACAAMP C[C@H]1C[N@@H+](CCC(N)=[NH2+])C[C@@H](C)O1 19428259 371626479 /nfs/dbraw/zinc/62/64/79/371626479.db2.gz QMZHYAVIOCGEBN-OCAPTIKFSA-N 2 1 185.271 0.422 50 0 in-vitro ACAAMP C[C@@H]1C[NH+](CCC(N)=[NH2+])C[C@@H](C)O1 19428257 371626961 /nfs/dbraw/zinc/62/69/61/371626961.db2.gz QMZHYAVIOCGEBN-HTQZYQBOSA-N 2 1 185.271 0.422 50 0 in-vitro ACAAMP [NH3+][C@@]12CCC[N@H+](CC1)C2 211635247 371708442 /nfs/dbraw/zinc/70/84/42/371708442.db2.gz YTPKQQNPBLHPPM-ZETCQYMHSA-N 2 1 126.203 0.183 50 0 ACAAMP [NH3+][C@@]12CCC[N@@H+](CC1)C2 211635247 371708444 /nfs/dbraw/zinc/70/84/44/371708444.db2.gz YTPKQQNPBLHPPM-ZETCQYMHSA-N 2 1 126.203 0.183 50 0 ACAAMP C[C@@H]1C[NH2+]CC[N@H+]([C@H]2C[C@H]2C)C1 216465659 371710341 /nfs/dbraw/zinc/71/03/41/371710341.db2.gz PCVJSECWGNSVQE-BBBLOLIVSA-N 2 1 168.284 0.936 50 0 in-vitro ACAAMP C[C@@H]1C[NH2+]CC[N@H+]([C@@H]2C[C@H]2C)C1 216465748 371710364 /nfs/dbraw/zinc/71/03/64/371710364.db2.gz PCVJSECWGNSVQE-OPRDCNLKSA-N 2 1 168.284 0.936 50 0 in-vitro ACAAMP C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 238855930 371731509 /nfs/dbraw/zinc/73/15/09/371731509.db2.gz UFTKWLHJIFCQPP-JGVFFNPUSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 238855931 371731724 /nfs/dbraw/zinc/73/17/24/371731724.db2.gz UFTKWLHJIFCQPP-YUMQZZPRSA-N 2 1 140.230 0.300 50 0 in-vitro ACAAMP CC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 36091772 375295585 /nfs/dbraw/zinc/29/55/85/375295585.db2.gz UYZDDPIZRFTWMM-SFYZADRCSA-N 2 1 142.246 0.818 50 0 ACAAMP CC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 36091772 375295592 /nfs/dbraw/zinc/29/55/92/375295592.db2.gz UYZDDPIZRFTWMM-SFYZADRCSA-N 2 1 142.246 0.818 50 0 ACAAMP Nc1cc(CC[NH3+])cc[nH+]1 69942468 375317724 /nfs/dbraw/zinc/31/77/24/375317724.db2.gz GOTXDZNTMYPRFN-UHFFFAOYSA-N 2 1 137.186 0.165 50 0 ACAAMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](O)C1 238481377 375428544 /nfs/dbraw/zinc/42/85/44/375428544.db2.gz DTOPDICROYGMMP-OPRDCNLKSA-N 2 1 184.283 0.051 50 0 ACAAMP O[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@H]32)C1 585672773 375557627 /nfs/dbraw/zinc/55/76/27/375557627.db2.gz ASGHGNPFSGZYME-LNFKQOIKSA-N 2 1 196.294 0.051 50 0 ACAAMP O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 585672771 375557715 /nfs/dbraw/zinc/55/77/15/375557715.db2.gz ASGHGNPFSGZYME-CHWFTXMASA-N 2 1 196.294 0.051 50 0 ACAAMP O[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)C1 585672774 375558048 /nfs/dbraw/zinc/55/80/48/375558048.db2.gz ASGHGNPFSGZYME-ZRUFSTJUSA-N 2 1 196.294 0.051 50 0 ACAAMP O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[NH2+]C[C@H]32)C1 585672772 375558187 /nfs/dbraw/zinc/55/81/87/375558187.db2.gz ASGHGNPFSGZYME-GWOFURMSSA-N 2 1 196.294 0.051 50 0 ACAAMP CC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 37482561 409331617 /nfs/dbraw/zinc/33/16/17/409331617.db2.gz PWMWGYQOYSODBC-UHFFFAOYSA-N 2 1 197.326 0.376 50 0 ACAAMP C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 238854723 523831451 /nfs/dbraw/zinc/83/14/51/523831451.db2.gz OWKCKFLYGJEUPI-RKDXNWHRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 238854723 523831455 /nfs/dbraw/zinc/83/14/55/523831455.db2.gz OWKCKFLYGJEUPI-RKDXNWHRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 81947135 523838087 /nfs/dbraw/zinc/83/80/87/523838087.db2.gz XYAVBNPTWXQIAA-VIFPVBQESA-N 2 1 154.257 0.692 50 0 in-vitro ACAAMP C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 238854722 523854686 /nfs/dbraw/zinc/85/46/86/523854686.db2.gz OWKCKFLYGJEUPI-BDAKNGLRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 238854722 523854688 /nfs/dbraw/zinc/85/46/88/523854688.db2.gz OWKCKFLYGJEUPI-BDAKNGLRSA-N 2 1 154.257 0.833 50 0 ACAAMP C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 81947131 523859842 /nfs/dbraw/zinc/85/98/42/523859842.db2.gz XYAVBNPTWXQIAA-SECBINFHSA-N 2 1 154.257 0.692 50 0 in-vitro ACAAMP C[N@H+]1CC[C@@](O)([C@H]([NH3+])C2CCC2)C1 958528793 630063211 /nfs/dbraw/zinc/06/32/11/630063211.db2.gz VJDDISPOJNVRRR-ZJUUUORDSA-N 2 1 184.283 0.180 50 0 ACAAMP CCC[C@@H]([NH3+])[C@]1(O)CC[N@@H+](C)C1 958528677 630063516 /nfs/dbraw/zinc/06/35/16/630063516.db2.gz SBZFDUYVZPSYGI-BDAKNGLRSA-N 2 1 172.272 0.180 50 0 ACAAMP CC(C)C[C@H]([NH3+])[C@@]1(O)CC[N@@H+](C)C1 958528787 630063625 /nfs/dbraw/zinc/06/36/25/630063625.db2.gz VIFWKEGYFITDPM-VHSXEESVSA-N 2 1 186.299 0.426 50 0 ACAAMP C[N@H+]1CC[C@](O)([C@H]([NH3+])C2CCC2)C1 958528790 630063823 /nfs/dbraw/zinc/06/38/23/630063823.db2.gz VJDDISPOJNVRRR-NXEZZACHSA-N 2 1 184.283 0.180 50 0 ACAAMP CCC[C@H]([NH3+])[C@@]1(O)CC[N@@H+](C)C1 958528679 630063876 /nfs/dbraw/zinc/06/38/76/630063876.db2.gz SBZFDUYVZPSYGI-DTWKUNHWSA-N 2 1 172.272 0.180 50 0 ACAAMP CCC[C@H]([NH3+])[C@]1(O)CC[N@@H+](C)C1 958528690 630064077 /nfs/dbraw/zinc/06/40/77/630064077.db2.gz SBZFDUYVZPSYGI-IUCAKERBSA-N 2 1 172.272 0.180 50 0 ACAAMP CC(C)C[C@H]([NH3+])[C@]1(O)CC[N@@H+](C)C1 958528786 630064320 /nfs/dbraw/zinc/06/43/20/630064320.db2.gz VIFWKEGYFITDPM-UWVGGRQHSA-N 2 1 186.299 0.426 50 0 ACAAMP C[N@H+]1CC[C@](O)([C@@H]([NH3+])C2CCC2)C1 958528792 630064482 /nfs/dbraw/zinc/06/44/82/630064482.db2.gz VJDDISPOJNVRRR-VHSXEESVSA-N 2 1 184.283 0.180 50 0 ACAAMP CC(C)C[C@@H]([NH3+])[C@@]1(O)CC[N@@H+](C)C1 958528785 630064773 /nfs/dbraw/zinc/06/47/73/630064773.db2.gz VIFWKEGYFITDPM-NXEZZACHSA-N 2 1 186.299 0.426 50 0 ACAAMP CCC[C@@H]([NH3+])[C@@]1(O)CC[N@@H+](C)C1 958528691 630064983 /nfs/dbraw/zinc/06/49/83/630064983.db2.gz SBZFDUYVZPSYGI-RKDXNWHRSA-N 2 1 172.272 0.180 50 0 ACAAMP C[N@H+]1CC[C@@](O)([C@@H]([NH3+])C2CCC2)C1 958528791 630065112 /nfs/dbraw/zinc/06/51/12/630065112.db2.gz VJDDISPOJNVRRR-UWVGGRQHSA-N 2 1 184.283 0.180 50 0 ACAAMP CC(C)C[C@@H]([NH3+])[C@]1(O)CC[N@@H+](C)C1 958528788 630065228 /nfs/dbraw/zinc/06/52/28/630065228.db2.gz VIFWKEGYFITDPM-ZJUUUORDSA-N 2 1 186.299 0.426 50 0 ACAAMP C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 238328341 523973000 /nfs/dbraw/zinc/97/30/00/523973000.db2.gz BMRRCEKQTKZDPU-IUCAKERBSA-N 2 1 154.257 0.690 50 0 in-vitro ACAAMP CC[C@@H]([NH3+])[C@@]1(O)CCC[N@@H+](C)CC1 958527962 631163290 /nfs/dbraw/zinc/16/32/90/631163290.db2.gz JVCATNHWTZNECK-NXEZZACHSA-N 2 1 186.299 0.571 50 0 ACAAMP CC[C@@H]([NH3+])[C@]1(O)CCC[N@@H+](C)CC1 958527965 631163456 /nfs/dbraw/zinc/16/34/56/631163456.db2.gz JVCATNHWTZNECK-ZJUUUORDSA-N 2 1 186.299 0.571 50 0 ACAAMP [NH3+][C@H](C1CCCCCC1)C1(O)C[NH2+]C1 958527493 631163483 /nfs/dbraw/zinc/16/34/83/631163483.db2.gz ALIWNPAAYXXXDP-SNVBAGLBSA-N 2 1 198.310 0.618 50 0 ACAAMP N[C@H](c1ccc(F)cc1)C1(O)C[NH2+]C1 958527996 631163596 /nfs/dbraw/zinc/16/35/96/631163596.db2.gz LOGUPUKIBWPNLC-SECBINFHSA-N 2 1 196.225 0.160 50 0 ACAAMP C[N@H+]1CC[C@](O)([C@H]([NH3+])C(C)(C)C)C1 958528508 631163546 /nfs/dbraw/zinc/16/35/46/631163546.db2.gz PGWQSZJURPMCDQ-PSASIEDQSA-N 2 1 186.299 0.426 50 0 ACAAMP [NH3+][C@H](C1CCCCC1)C1(O)C[NH2+]C1 958527484 631163574 /nfs/dbraw/zinc/16/35/74/631163574.db2.gz AHHXMOVYUBEWJF-SECBINFHSA-N 2 1 184.283 0.228 50 0 ACAAMP C[N@H+]1CC[C@@](O)([C@@H]([NH3+])C(C)(C)C)C1 958528511 631163589 /nfs/dbraw/zinc/16/35/89/631163589.db2.gz PGWQSZJURPMCDQ-WPRPVWTQSA-N 2 1 186.299 0.426 50 0 ACAAMP CC[C@@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 958527670 631163692 /nfs/dbraw/zinc/16/36/92/631163692.db2.gz DAORKOIGPRMBBQ-GZBOUJLJSA-N 2 1 198.310 0.711 50 0 ACAAMP CC1CCC([C@H]([NH3+])C2(O)C[NH2+]C2)CC1 958527694 631163698 /nfs/dbraw/zinc/16/36/98/631163698.db2.gz DXDZJGLFHHJCIY-RTBKNWGFSA-N 2 1 198.310 0.474 50 0 ACAAMP CC[C@H]([NH3+])[C@@]1(O)CCC[N@@H+](C)CC1 958527964 631163713 /nfs/dbraw/zinc/16/37/13/631163713.db2.gz JVCATNHWTZNECK-VHSXEESVSA-N 2 1 186.299 0.571 50 0 ACAAMP [NH3+][C@@H](C1CCCCCC1)C1(O)C[NH2+]C1 958527492 631163748 /nfs/dbraw/zinc/16/37/48/631163748.db2.gz ALIWNPAAYXXXDP-JTQLQIEISA-N 2 1 198.310 0.618 50 0 ACAAMP CC[C@H]([NH3+])[C@]1(O)CCC[N@@H+](C)CC1 958527963 631163954 /nfs/dbraw/zinc/16/39/54/631163954.db2.gz JVCATNHWTZNECK-UWVGGRQHSA-N 2 1 186.299 0.571 50 0 ACAAMP CC1CCC([C@@H]([NH3+])C2(O)C[NH2+]C2)CC1 958527695 631164031 /nfs/dbraw/zinc/16/40/31/631164031.db2.gz DXDZJGLFHHJCIY-UDNWOFFPSA-N 2 1 198.310 0.474 50 0 ACAAMP CC[C@H]([NH3+])C1(O)C[C@@H]2CC[C@H](C1)[N@H+]2C 958527671 631164040 /nfs/dbraw/zinc/16/40/40/631164040.db2.gz DAORKOIGPRMBBQ-JDUUOCRZSA-N 2 1 198.310 0.711 50 0 ACAAMP [NH3+][C@@H](C1CCCCC1)C1(O)C[NH2+]C1 958527485 631164087 /nfs/dbraw/zinc/16/40/87/631164087.db2.gz AHHXMOVYUBEWJF-VIFPVBQESA-N 2 1 184.283 0.228 50 0 ACAAMP C[N@H+]1CC[C@](O)([C@@H]([NH3+])C(C)(C)C)C1 958528510 631164099 /nfs/dbraw/zinc/16/40/99/631164099.db2.gz PGWQSZJURPMCDQ-WCBMZHEXSA-N 2 1 186.299 0.426 50 0 ACAAMP N[C@@H](c1ccc(F)cc1)C1(O)C[NH2+]C1 958527997 631164113 /nfs/dbraw/zinc/16/41/13/631164113.db2.gz LOGUPUKIBWPNLC-VIFPVBQESA-N 2 1 196.225 0.160 50 0 ACAAMP C[N@H+]1CC[C@@](O)([C@H]([NH3+])C(C)(C)C)C1 958528509 631164157 /nfs/dbraw/zinc/16/41/57/631164157.db2.gz PGWQSZJURPMCDQ-SCZZXKLOSA-N 2 1 186.299 0.426 50 0 ACAAMP CCC(CC)[C@@H]([NH3+])C1(O)C[NH2+]C1 958528454 631164247 /nfs/dbraw/zinc/16/42/47/631164247.db2.gz SSKHSWUEVAOTBJ-MRVPVSSYSA-N 2 1 172.272 0.084 50 0 ACAAMP CC(C)(C)C[C@H]([NH3+])C1(O)C[NH2+]C1 958528396 631164687 /nfs/dbraw/zinc/16/46/87/631164687.db2.gz QUGYPTMJOMFFNZ-ZETCQYMHSA-N 2 1 172.272 0.084 50 0 ACAAMP CCC(CC)[C@H]([NH3+])C1(O)C[NH2+]C1 958528455 631164747 /nfs/dbraw/zinc/16/47/47/631164747.db2.gz SSKHSWUEVAOTBJ-QMMMGPOBSA-N 2 1 172.272 0.084 50 0 ACAAMP CC(C)(C)C[C@@H]([NH3+])C1(O)C[NH2+]C1 958528395 631164877 /nfs/dbraw/zinc/16/48/77/631164877.db2.gz QUGYPTMJOMFFNZ-SSDOTTSWSA-N 2 1 172.272 0.084 50 0 ACAAMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH3+] 238857284 524969443 /nfs/dbraw/zinc/96/94/43/524969443.db2.gz YPBOFUPYTPWEQK-OUAUKWLOSA-N 2 1 198.310 0.835 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH3+] 238857283 524977356 /nfs/dbraw/zinc/97/73/56/524977356.db2.gz YPBOFUPYTPWEQK-MXWKQRLJSA-N 2 1 198.310 0.835 50 0 in-vitro ACAAMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH3+] 238857282 524978250 /nfs/dbraw/zinc/97/82/50/524978250.db2.gz YPBOFUPYTPWEQK-GMTAPVOTSA-N 2 1 198.310 0.835 50 0 in-vitro ACAAMP