smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC1CC[NH+](C)CC1)c1cc(N)[nH+]cn1 ZINC000112750457 721936138 /nfs/dbraw/zinc/93/61/38/721936138.db2.gz RGTDUIBBDFMZBL-UHFFFAOYSA-N 2 1 235.335 0.837 10 0 BCAEMP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685953489 538897776 /nfs/dbraw/zinc/89/77/76/538897776.db2.gz HTVPHQJOTMNBKU-QWHCGFSZSA-N 2 1 223.364 0.894 10 0 BCAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685953489 538897778 /nfs/dbraw/zinc/89/77/78/538897778.db2.gz HTVPHQJOTMNBKU-QWHCGFSZSA-N 2 1 223.364 0.894 10 0 BCAEMP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955214 538900436 /nfs/dbraw/zinc/90/04/36/538900436.db2.gz WITDNCHBQACLQS-QWHCGFSZSA-N 2 1 223.364 0.892 10 0 BCAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955214 538900438 /nfs/dbraw/zinc/90/04/38/538900438.db2.gz WITDNCHBQACLQS-QWHCGFSZSA-N 2 1 223.364 0.892 10 0 BCAEMP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955213 538900978 /nfs/dbraw/zinc/90/09/78/538900978.db2.gz WITDNCHBQACLQS-OLZOCXBDSA-N 2 1 223.364 0.892 10 0 BCAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955213 538900979 /nfs/dbraw/zinc/90/09/79/538900979.db2.gz WITDNCHBQACLQS-OLZOCXBDSA-N 2 1 223.364 0.892 10 0 BCAEMP CCN1CCO[C@H](Cn2cnc(N)c2)C1 ZINC000685964199 538911086 /nfs/dbraw/zinc/91/10/86/538911086.db2.gz LECSOOMEDPOAJH-VIFPVBQESA-N 2 1 210.281 0.186 10 0 BCAEMP C[C@H]1C[C@@]2(C[NH+]=C(N)N2)C[N@H+]1Cc1ccccc1 ZINC000306683444 398171893 /nfs/dbraw/zinc/17/18/93/398171893.db2.gz VRTMMCZICQESTN-SMDDNHRTSA-N 2 1 244.342 0.938 10 0 BCAEMP C[C@@H](O)C1CC[NH+]([C@@H](C)[C@H](C)[NH3+])CC1 ZINC000307511899 398173930 /nfs/dbraw/zinc/17/39/30/398173930.db2.gz LXEQDSOWDMSERX-LPEHRKFASA-N 2 1 200.326 0.815 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000381074190 398223176 /nfs/dbraw/zinc/22/31/76/398223176.db2.gz PIAJMDABCUFGRN-UTUOFQBUSA-N 2 1 230.352 0.456 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000381074190 398223178 /nfs/dbraw/zinc/22/31/78/398223178.db2.gz PIAJMDABCUFGRN-UTUOFQBUSA-N 2 1 230.352 0.456 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCC[NH2+]C ZINC000092630182 398236007 /nfs/dbraw/zinc/23/60/07/398236007.db2.gz OFKJBAPCYZMZPV-LBPRGKRZSA-N 2 1 241.379 0.929 10 0 BCAEMP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000645434668 398262028 /nfs/dbraw/zinc/26/20/28/398262028.db2.gz RBGYUPDCOCYSQJ-LLVKDONJSA-N 2 1 244.379 0.846 10 0 BCAEMP CCC(CC)[N@@H+](CCO)C[C@]1(C[NH3+])CCOC1 ZINC000051256253 168373519 /nfs/dbraw/zinc/37/35/19/168373519.db2.gz ITNGBNNAMGPZND-CYBMUJFWSA-N 2 1 244.379 0.835 10 0 BCAEMP C[C@H](CNC(=O)OC(C)(C)C)[C@@H](N)C[NH3+] ZINC000306651588 361856343 /nfs/dbraw/zinc/85/63/43/361856343.db2.gz GGLZNOJSKKDWLF-SFYZADRCSA-N 2 1 217.313 0.433 10 0 BCAEMP F[C@@H]1COCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000146016718 342764519 /nfs/dbraw/zinc/76/45/19/342764519.db2.gz CQVABQWSZBOBLN-NXEZZACHSA-N 2 1 202.273 0.455 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381201012 538996045 /nfs/dbraw/zinc/99/60/45/538996045.db2.gz FINXDGAQCBUJQM-HBNTYKKESA-N 2 1 221.304 0.965 10 0 BCAEMP C[C@@H](CC(N)=O)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381373908 538999458 /nfs/dbraw/zinc/99/94/58/538999458.db2.gz IIYLZZOZLWLQFA-IUCAKERBSA-N 2 1 222.292 0.051 10 0 BCAEMP C[C@H](CC(N)=O)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381373912 538999462 /nfs/dbraw/zinc/99/94/62/538999462.db2.gz IIYLZZOZLWLQFA-RKDXNWHRSA-N 2 1 222.292 0.051 10 0 BCAEMP CCc1[nH+]ccn1[C@H](C)[C@H]([NH2+]C)C(N)=O ZINC000710717102 539028264 /nfs/dbraw/zinc/02/82/64/539028264.db2.gz GFIUQXFEVZQYEI-APPZFPTMSA-N 2 1 210.281 0.080 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000167204315 136244872 /nfs/dbraw/zinc/24/48/72/136244872.db2.gz CESMQEFMZZGIDN-NSHDSACASA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000037647128 398333634 /nfs/dbraw/zinc/33/36/34/398333634.db2.gz JMBLGEVCCCVLPR-VOMCLLRMSA-N 2 1 239.363 0.572 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000036872928 342992943 /nfs/dbraw/zinc/99/29/43/342992943.db2.gz XNOLNNSSXDBVBD-QWRGUYRKSA-N 2 1 227.352 0.714 10 0 BCAEMP CC(C)(C)[C@@H](CN)[N@@H+]1CCC[C@H](O)C1 ZINC000043292636 343037366 /nfs/dbraw/zinc/03/73/66/343037366.db2.gz SFFQEUQDEDCSDU-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP CC(C)(C)[C@@H](C[NH3+])[N@@H+]1CCC[C@H](O)C1 ZINC000043292636 343037371 /nfs/dbraw/zinc/03/73/71/343037371.db2.gz SFFQEUQDEDCSDU-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP CC(C)(C)[C@@H](C[NH3+])[N@H+]1CCC[C@H](O)C1 ZINC000043292636 343037372 /nfs/dbraw/zinc/03/73/72/343037372.db2.gz SFFQEUQDEDCSDU-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP CC(C)(O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565160 343112550 /nfs/dbraw/zinc/11/25/50/343112550.db2.gz PGNQZHXZLABXEW-WDEREUQCSA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)(O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565160 343112553 /nfs/dbraw/zinc/11/25/53/343112553.db2.gz PGNQZHXZLABXEW-WDEREUQCSA-N 2 1 212.337 0.974 10 0 BCAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000282274128 187240582 /nfs/dbraw/zinc/24/05/82/187240582.db2.gz HVDNBWYUBRKAIH-GXSJLCMTSA-N 2 1 236.319 0.448 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094447103 343156078 /nfs/dbraw/zinc/15/60/78/343156078.db2.gz MYKPOFHKNQWAPD-SDDRHHMPSA-N 2 1 239.363 0.809 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000134156503 343188619 /nfs/dbraw/zinc/18/86/19/343188619.db2.gz DODSWLVIWUIUJY-BDAKNGLRSA-N 2 1 200.282 0.361 10 0 BCAEMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037164633 537789090 /nfs/dbraw/zinc/78/90/90/537789090.db2.gz CZBABMNSVJVMCO-VXGBXAGGSA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)[N@H+](CCC(N)=[NH2+])CCN1CCOCC1 ZINC000042529746 187265502 /nfs/dbraw/zinc/26/55/02/187265502.db2.gz DYTHFLBWRNMYNP-UHFFFAOYSA-N 2 1 242.367 0.355 10 0 BCAEMP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189592 187275382 /nfs/dbraw/zinc/27/53/82/187275382.db2.gz BSOBGUQDMFYILH-RYUDHWBXSA-N 2 1 241.379 0.770 10 0 BCAEMP CN(C)c1nc(N(C)CCC[NH3+])cc[nH+]1 ZINC000082924190 362269239 /nfs/dbraw/zinc/26/92/39/362269239.db2.gz DKQZTIWDOLJSBI-UHFFFAOYSA-N 2 1 209.297 0.328 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261548262 534967653 /nfs/dbraw/zinc/96/76/53/534967653.db2.gz JGOVOEPJLDPFRX-SRVKXCTJSA-N 2 1 239.363 0.522 10 0 BCAEMP C[NH2+][C@H](C(N)=O)[C@H](C)n1cc(C)[nH+]c1C ZINC000715107910 537862916 /nfs/dbraw/zinc/86/29/16/537862916.db2.gz NDYTWFARFRNRBJ-CBAPKCEASA-N 2 1 210.281 0.134 10 0 BCAEMP C[NH2+][C@@H](C(N)=O)[C@H](C)n1cc(C)[nH+]c1C ZINC000715107911 537863680 /nfs/dbraw/zinc/86/36/80/537863680.db2.gz NDYTWFARFRNRBJ-IONNQARKSA-N 2 1 210.281 0.134 10 0 BCAEMP CC(C)[NH+]1CCN(C(=[NH2+])NC2CC2)CC1 ZINC000052038150 187300132 /nfs/dbraw/zinc/30/01/32/187300132.db2.gz BGDJEOHPMXOXOJ-UHFFFAOYSA-N 2 1 210.325 0.699 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000380013802 365804405 /nfs/dbraw/zinc/80/44/05/365804405.db2.gz MOUIEFLNJINTGC-NSHDSACASA-N 2 1 212.293 0.235 10 0 BCAEMP Cc1nn(C)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998160 345197657 /nfs/dbraw/zinc/19/76/57/345197657.db2.gz BNXMHEJAHPRJBC-KOLCDFICSA-N 2 1 222.336 0.755 10 0 BCAEMP CCn1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998383 345198515 /nfs/dbraw/zinc/19/85/15/345198515.db2.gz FAPKNNVSBPLYSG-JQWIXIFHSA-N 2 1 222.336 0.930 10 0 BCAEMP Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000634999495 345200058 /nfs/dbraw/zinc/20/00/58/345200058.db2.gz VJUWEGJLEIYUHB-KOLCDFICSA-N 2 1 222.336 0.755 10 0 BCAEMP Cc1c[nH]nc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999719 345200739 /nfs/dbraw/zinc/20/07/39/345200739.db2.gz YHNKYDXKAGQLTG-VHSXEESVSA-N 2 1 208.309 0.745 10 0 BCAEMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999719 345200743 /nfs/dbraw/zinc/20/07/43/345200743.db2.gz YHNKYDXKAGQLTG-VHSXEESVSA-N 2 1 208.309 0.745 10 0 BCAEMP CN(C(=O)C(C)(C)[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000053245621 187302865 /nfs/dbraw/zinc/30/28/65/187302865.db2.gz SVPNXQRXJZQZDE-SECBINFHSA-N 2 1 213.325 0.276 10 0 BCAEMP CCN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H](C)[NH3+] ZINC000211696968 323090155 /nfs/dbraw/zinc/09/01/55/323090155.db2.gz VTDUWTNWSKWRBA-ZJUUUORDSA-N 2 1 213.325 0.276 10 0 BCAEMP C[NH2+][C@@H]1C[C@@H](OC)[C@@H](OC)C[C@H]1[NH+]1CCCC1 ZINC000034343886 345822929 /nfs/dbraw/zinc/82/29/29/345822929.db2.gz YLZZGMAWIUYAFK-LPWJVIDDSA-N 2 1 242.363 0.863 10 0 BCAEMP CCC[N@@H+](CC)C[C@H]1CNC[C@H](C[NH3+])C1 ZINC000669378597 537967835 /nfs/dbraw/zinc/96/78/35/537967835.db2.gz IRCIXNSEHVHWTL-NWDGAFQWSA-N 2 1 213.369 0.903 10 0 BCAEMP CCC[N@@H+](CC)C[C@@H]1CNC[C@H](C[NH3+])C1 ZINC000669378598 537968602 /nfs/dbraw/zinc/96/86/02/537968602.db2.gz IRCIXNSEHVHWTL-RYUDHWBXSA-N 2 1 213.369 0.903 10 0 BCAEMP CCC[N@H+]1CC[C@H](O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246474 538007516 /nfs/dbraw/zinc/00/75/16/538007516.db2.gz WZLTVXQFLSGDFW-WOPDTQHZSA-N 2 1 212.337 0.689 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH2+]C)C1 ZINC000054074448 348889669 /nfs/dbraw/zinc/88/96/69/348889669.db2.gz PRYYJHYAMLSLIS-NXEZZACHSA-N 2 1 213.325 0.052 10 0 BCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250517052 349175319 /nfs/dbraw/zinc/17/53/19/349175319.db2.gz QYMNVZNVZHJXCE-RYUDHWBXSA-N 2 1 239.363 0.442 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000309269456 350247172 /nfs/dbraw/zinc/24/71/72/350247172.db2.gz QULVOHJDDCMYGQ-RYUDHWBXSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000309269456 350247177 /nfs/dbraw/zinc/24/71/77/350247177.db2.gz QULVOHJDDCMYGQ-RYUDHWBXSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000309269456 350247178 /nfs/dbraw/zinc/24/71/78/350247178.db2.gz QULVOHJDDCMYGQ-RYUDHWBXSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000309269456 350247179 /nfs/dbraw/zinc/24/71/79/350247179.db2.gz QULVOHJDDCMYGQ-RYUDHWBXSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000309269456 350247181 /nfs/dbraw/zinc/24/71/81/350247181.db2.gz QULVOHJDDCMYGQ-RYUDHWBXSA-N 2 1 230.352 0.003 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC000178333774 180268204 /nfs/dbraw/zinc/26/82/04/180268204.db2.gz JKKAESDHJJFTBK-GXSJLCMTSA-N 2 1 236.319 0.530 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC000178333774 180268206 /nfs/dbraw/zinc/26/82/06/180268206.db2.gz JKKAESDHJJFTBK-GXSJLCMTSA-N 2 1 236.319 0.530 10 0 BCAEMP Cc1nccn2c1c[nH+]c2N1CC[NH2+]CC1 ZINC000089195457 180270960 /nfs/dbraw/zinc/27/09/60/180270960.db2.gz HCFLVPBODJIREN-UHFFFAOYSA-N 2 1 217.276 0.447 10 0 BCAEMP Cc1[nH+]cn(CC[C@](C)([NH3+])C(N)=O)c1C ZINC000051928281 180286845 /nfs/dbraw/zinc/28/68/45/180286845.db2.gz XWLZPZZBHFOYNC-JTQLQIEISA-N 2 1 210.281 0.093 10 0 BCAEMP Cc1nn(C)cc1[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C ZINC000082946472 180381571 /nfs/dbraw/zinc/38/15/71/180381571.db2.gz OUZLXPPOTDQXKL-KOLCDFICSA-N 2 1 208.309 0.680 10 0 BCAEMP C[C@H]1C[N@@H+](CCC(C)(C)O)CC[C@H]1[NH3+] ZINC000251617986 350899327 /nfs/dbraw/zinc/89/93/27/350899327.db2.gz DTWMURPQVFZWQE-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH2+]C ZINC000252583920 350912887 /nfs/dbraw/zinc/91/28/87/350912887.db2.gz YXKVOCIHHPFKTM-WDEREUQCSA-N 2 1 227.352 0.537 10 0 BCAEMP C[C@@H]1CC[N@H+](CCC(C)(C)O)C[C@H]1[NH3+] ZINC000252609715 350913317 /nfs/dbraw/zinc/91/33/17/350913317.db2.gz UCVOGPRXVDRZCG-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]1CC[N@@H+](CCC(C)(C)O)C[C@H]1[NH3+] ZINC000252609715 350913319 /nfs/dbraw/zinc/91/33/19/350913319.db2.gz UCVOGPRXVDRZCG-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP [NH3+]CCN1CCCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616629737 351100698 /nfs/dbraw/zinc/10/06/98/351100698.db2.gz PRAKFAKRTFAZEF-SNVBAGLBSA-N 2 1 208.309 0.938 10 0 BCAEMP CC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000307194061 351595029 /nfs/dbraw/zinc/59/50/29/351595029.db2.gz HXLNPIPHUIKLOJ-NWDGAFQWSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000307194061 351595032 /nfs/dbraw/zinc/59/50/32/351595032.db2.gz HXLNPIPHUIKLOJ-NWDGAFQWSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000307194061 351595033 /nfs/dbraw/zinc/59/50/33/351595033.db2.gz HXLNPIPHUIKLOJ-NWDGAFQWSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000307194061 351595035 /nfs/dbraw/zinc/59/50/35/351595035.db2.gz HXLNPIPHUIKLOJ-NWDGAFQWSA-N 2 1 210.321 0.849 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638080813 351953569 /nfs/dbraw/zinc/95/35/69/351953569.db2.gz RBSQFSWVJFIMOA-NWDGAFQWSA-N 2 1 237.347 0.634 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638117419 351992841 /nfs/dbraw/zinc/99/28/41/351992841.db2.gz UMPKMPNYSWSFHJ-RAIGVLPGSA-N 2 1 249.358 0.729 10 0 BCAEMP CC(C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2)C1 ZINC000073653106 187598062 /nfs/dbraw/zinc/59/80/62/187598062.db2.gz RIPFORGFYSWHMZ-GFCCVEGCSA-N 2 1 211.353 0.764 10 0 BCAEMP C[C@@H]1C[N@H+](C2CCC3(C[C@@H]3[NH3+])CC2)CCN1 ZINC000725270247 538102462 /nfs/dbraw/zinc/10/24/62/538102462.db2.gz JQHAZEUBACDQIM-IGJPJIBNSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@@H]1CN(C2CCC3(C[C@@H]3[NH3+])CC2)CC[NH2+]1 ZINC000725270247 538102463 /nfs/dbraw/zinc/10/24/63/538102463.db2.gz JQHAZEUBACDQIM-IGJPJIBNSA-N 2 1 223.364 0.940 10 0 BCAEMP [NH3+][C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000307436935 352595812 /nfs/dbraw/zinc/59/58/12/352595812.db2.gz UGZGRYIJBMRENQ-CHWSQXEVSA-N 2 1 245.326 0.430 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040503486 352598228 /nfs/dbraw/zinc/59/82/28/352598228.db2.gz XXOAJFFHLCDXKS-MNOVXSKESA-N 2 1 227.352 0.570 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040503489 352598309 /nfs/dbraw/zinc/59/83/09/352598309.db2.gz BZTDUBWZLJFUAX-MNOVXSKESA-N 2 1 225.336 0.339 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040503495 352598549 /nfs/dbraw/zinc/59/85/49/352598549.db2.gz QQKJRLUYJAXTQJ-GHMZBOCLSA-N 2 1 241.379 0.960 10 0 BCAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]1(N)C[NH3+] ZINC000307475081 352619088 /nfs/dbraw/zinc/61/90/88/352619088.db2.gz JYMMUUHHPQCUDM-YPMHNXCESA-N 2 1 219.332 0.937 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074269 188048017 /nfs/dbraw/zinc/04/80/17/188048017.db2.gz JBDQEGOAZABLMZ-GFCCVEGCSA-N 2 1 241.379 0.914 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000251832112 353292586 /nfs/dbraw/zinc/29/25/86/353292586.db2.gz PQMCMWVLTQOARQ-QWRGUYRKSA-N 2 1 239.363 0.666 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000252128058 353297066 /nfs/dbraw/zinc/29/70/66/353297066.db2.gz LQRNZVNQSURALF-WRWGMCAJSA-N 2 1 239.363 0.713 10 0 BCAEMP C[NH+]1CCC(OC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000041019062 188292661 /nfs/dbraw/zinc/29/26/61/188292661.db2.gz ZVBUVXXRKDSGKT-SNVBAGLBSA-N 2 1 228.336 0.997 10 0 BCAEMP C[NH2+][C@@H]1CCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000044537347 188326107 /nfs/dbraw/zinc/32/61/07/188326107.db2.gz RCECBLODPGIRHB-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP CC(=O)NCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602041 188354933 /nfs/dbraw/zinc/35/49/33/188354933.db2.gz HLDHCFGEBHFWFN-YOGCLGLASA-N 2 1 225.336 0.467 10 0 BCAEMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379428098 358484702 /nfs/dbraw/zinc/48/47/02/358484702.db2.gz FVDZFQOZFMYDGK-GFCCVEGCSA-N 2 1 244.379 0.704 10 0 BCAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(C)C)CC1 ZINC000379428098 358484704 /nfs/dbraw/zinc/48/47/04/358484704.db2.gz FVDZFQOZFMYDGK-GFCCVEGCSA-N 2 1 244.379 0.704 10 0 BCAEMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000383862997 355417687 /nfs/dbraw/zinc/41/76/87/355417687.db2.gz OGHKQNIIONKBER-MWLCHTKSSA-N 2 1 236.319 0.163 10 0 BCAEMP NC(=[NH2+])c1cccc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000042432929 181196282 /nfs/dbraw/zinc/19/62/82/181196282.db2.gz GDBOWMXYSNAMHT-GFCCVEGCSA-N 2 1 233.315 0.927 10 0 BCAEMP OCC[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000399168942 355799712 /nfs/dbraw/zinc/79/97/12/355799712.db2.gz FUCCPRGKZOJVEL-UHFFFAOYSA-N 2 1 235.331 0.628 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000167194633 355968977 /nfs/dbraw/zinc/96/89/77/355968977.db2.gz BBNLTPVRYGFARK-QWRGUYRKSA-N 2 1 229.368 0.960 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1CNc1cc[nH+]cc1Cl ZINC000420252671 192187963 /nfs/dbraw/zinc/18/79/63/192187963.db2.gz OJLWNIZIVUTQNG-XVKPBYJWSA-N 2 1 227.695 0.149 10 0 BCAEMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000143073423 356471440 /nfs/dbraw/zinc/47/14/40/356471440.db2.gz VMMZFPZMISQAMO-QWHCGFSZSA-N 2 1 220.316 0.828 10 0 BCAEMP NC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000043493870 181280583 /nfs/dbraw/zinc/28/05/83/181280583.db2.gz LXYPQRVENGFMSK-QWRGUYRKSA-N 2 1 225.336 0.326 10 0 BCAEMP NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 ZINC000043493870 181280585 /nfs/dbraw/zinc/28/05/85/181280585.db2.gz LXYPQRVENGFMSK-QWRGUYRKSA-N 2 1 225.336 0.326 10 0 BCAEMP NC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000051918909 181280653 /nfs/dbraw/zinc/28/06/53/181280653.db2.gz ZOWFLKVIYMKKCW-NEPJUHHUSA-N 2 1 239.363 0.573 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167767000 134153649 /nfs/dbraw/zinc/15/36/49/134153649.db2.gz BNRMOZGLBOLNFX-RYUDHWBXSA-N 2 1 241.379 0.770 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167767000 134153650 /nfs/dbraw/zinc/15/36/50/134153650.db2.gz BNRMOZGLBOLNFX-RYUDHWBXSA-N 2 1 241.379 0.770 10 0 BCAEMP COc1ncccc1[C@@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000675073671 538506588 /nfs/dbraw/zinc/50/65/88/538506588.db2.gz SMOUNVKYEOYOGU-WPRPVWTQSA-N 2 1 207.277 0.494 10 0 BCAEMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000390158062 357085395 /nfs/dbraw/zinc/08/53/95/357085395.db2.gz XVXKSTAFSJFRRU-VPOLOUISSA-N 2 1 225.336 0.132 10 0 BCAEMP C[C@@H]1C[N@@H+](C2[C@H](C)C[NH2+]C[C@H]2C)CCO1 ZINC000685951180 538894796 /nfs/dbraw/zinc/89/47/96/538894796.db2.gz OXWBRGWVLZQSIS-GMTAPVOTSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[N@H+](C2[C@H](C)C[NH2+]C[C@H]2C)CCO1 ZINC000685951180 538894797 /nfs/dbraw/zinc/89/47/97/538894797.db2.gz OXWBRGWVLZQSIS-GMTAPVOTSA-N 2 1 212.337 0.951 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH2+]C ZINC000086188879 357872287 /nfs/dbraw/zinc/87/22/87/357872287.db2.gz PJBSGIHNVIOUQJ-LLVKDONJSA-N 2 1 227.352 0.539 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944696 /nfs/dbraw/zinc/94/46/96/357944696.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944700 /nfs/dbraw/zinc/94/47/00/357944700.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944703 /nfs/dbraw/zinc/94/47/03/357944703.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944707 /nfs/dbraw/zinc/94/47/07/357944707.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944710 /nfs/dbraw/zinc/94/47/10/357944710.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944713 /nfs/dbraw/zinc/94/47/13/357944713.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938701 357944716 /nfs/dbraw/zinc/94/47/16/357944716.db2.gz IYVPSJSYIGZNMP-IJLUTSLNSA-N 2 1 230.352 0.144 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904456 358097629 /nfs/dbraw/zinc/09/76/29/358097629.db2.gz RQOJEYDCAFYPEP-JTQLQIEISA-N 2 1 212.337 0.831 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040503650 358237650 /nfs/dbraw/zinc/23/76/50/358237650.db2.gz KJZJSRSJRPNMCO-NSHDSACASA-N 2 1 225.336 0.339 10 0 BCAEMP Cc1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1C ZINC000226302239 358337272 /nfs/dbraw/zinc/33/72/72/358337272.db2.gz OQDLYVAEIDQQRF-LLVKDONJSA-N 2 1 222.336 0.818 10 0 BCAEMP C[C@H]([NH3+])CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000070316690 359049872 /nfs/dbraw/zinc/04/98/72/359049872.db2.gz CDKCYBQJFGFUTI-NWDGAFQWSA-N 2 1 239.363 0.811 10 0 BCAEMP CC[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000247058900 359190976 /nfs/dbraw/zinc/19/09/76/359190976.db2.gz PLCFMTMREIEXLJ-NWDGAFQWSA-N 2 1 239.363 0.633 10 0 BCAEMP C[C@@H]1C[C@](N)(C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000306304608 359584725 /nfs/dbraw/zinc/58/47/25/359584725.db2.gz BSHAGUJEZDPTKC-YPMHNXCESA-N 2 1 219.332 0.937 10 0 BCAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000306518236 360345997 /nfs/dbraw/zinc/34/59/97/360345997.db2.gz GVAZJHSQPOFVEV-UTLUCORTSA-N 2 1 200.326 0.815 10 0 BCAEMP [NH3+]Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000094568414 360312702 /nfs/dbraw/zinc/31/27/02/360312702.db2.gz OSTLGTZMKSHRHX-JTQLQIEISA-N 2 1 249.314 0.659 10 0 BCAEMP C[C@H](C[N@H+]1CCSC[C@H]1C)C(N)=[NH2+] ZINC000069761058 360409406 /nfs/dbraw/zinc/40/94/06/360409406.db2.gz JBPGQCCKYLLMBL-HTQZYQBOSA-N 2 1 201.339 0.996 10 0 BCAEMP [NH3+]C1CCC([N@H+]2CCNC(=O)CC2)CC1 ZINC000062100685 181341166 /nfs/dbraw/zinc/34/11/66/181341166.db2.gz COQIVFVHEBYBLN-UHFFFAOYSA-N 2 1 211.309 0.078 10 0 BCAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1 ZINC000104251775 181345306 /nfs/dbraw/zinc/34/53/06/181345306.db2.gz WYWHFHQGHJJKKJ-FGNRJIRKSA-N 2 1 237.347 0.609 10 0 BCAEMP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](C)CC2)C1 ZINC000092052089 541344774 /nfs/dbraw/zinc/34/47/74/541344774.db2.gz DRQWEADATNNWJK-ZDUSSCGKSA-N 2 1 241.379 0.391 10 0 BCAEMP [NH3+]CCCOCCNc1cc[nH+]cc1Cl ZINC000630535567 364228230 /nfs/dbraw/zinc/22/82/30/364228230.db2.gz WIRAFPQHTHAAGM-UHFFFAOYSA-N 2 1 229.711 0.934 10 0 BCAEMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]12 ZINC000037001725 181373024 /nfs/dbraw/zinc/37/30/24/181373024.db2.gz MIBZXXJYLLRKQB-UWVGGRQHSA-N 2 1 211.309 0.078 10 0 BCAEMP [NH3+]CCCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973898 181375168 /nfs/dbraw/zinc/37/51/68/181375168.db2.gz IVTZQHIQGBSWBR-ZDUSSCGKSA-N 2 1 241.379 0.522 10 0 BCAEMP [NH3+]CCCC[N@H+]1CCCN(c2cccnn2)CC1 ZINC000052815647 181376512 /nfs/dbraw/zinc/37/65/12/181376512.db2.gz PCARLYMCYDTVHB-UHFFFAOYSA-N 2 1 249.362 0.728 10 0 BCAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCC(=O)NC1CC1 ZINC000104319680 181385974 /nfs/dbraw/zinc/38/59/74/181385974.db2.gz JVTIDBRKBWSHGU-LBPRGKRZSA-N 2 1 239.363 0.858 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000383569399 367641391 /nfs/dbraw/zinc/64/13/91/367641391.db2.gz JTPVAIXGQUAZNP-OLZOCXBDSA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000383569399 367641399 /nfs/dbraw/zinc/64/13/99/367641399.db2.gz JTPVAIXGQUAZNP-OLZOCXBDSA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCCO ZINC000383569399 367641407 /nfs/dbraw/zinc/64/14/07/367641407.db2.gz JTPVAIXGQUAZNP-OLZOCXBDSA-N 2 1 244.379 0.536 10 0 BCAEMP C[C@@H](C[N@H+]1CCS[C@H](C)C1)C(N)=[NH2+] ZINC000252978266 368177299 /nfs/dbraw/zinc/17/72/99/368177299.db2.gz BBZBDTXVVZWIGZ-JGVFFNPUSA-N 2 1 201.339 0.996 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH3+])C[C@H]1C ZINC000253075404 368471658 /nfs/dbraw/zinc/47/16/58/368471658.db2.gz QKJZKQGNKUISMN-GMTAPVOTSA-N 2 1 200.326 0.674 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH3+])C1 ZINC000253114056 368507319 /nfs/dbraw/zinc/50/73/19/368507319.db2.gz ZGSYWZNKDHCCAU-LMLFDSFASA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000631842578 369368304 /nfs/dbraw/zinc/36/83/04/369368304.db2.gz CCIZUGICIZUQCH-QWRGUYRKSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000631842578 369368310 /nfs/dbraw/zinc/36/83/10/369368310.db2.gz CCIZUGICIZUQCH-QWRGUYRKSA-N 2 1 239.363 0.572 10 0 BCAEMP O[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624239744 371428732 /nfs/dbraw/zinc/42/87/32/371428732.db2.gz SLVOLXJMCKGYBS-OLZOCXBDSA-N 2 1 240.347 0.353 10 0 BCAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1CCC[C@@H](O)C1 ZINC000227289668 371824056 /nfs/dbraw/zinc/82/40/56/371824056.db2.gz GTWNQWSDPCVZHQ-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823726 372602545 /nfs/dbraw/zinc/60/25/45/372602545.db2.gz MNBIRPMPMLKKFQ-QJPTWQEYSA-N 2 1 232.331 0.954 10 0 BCAEMP Cc1nccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000631823726 372602552 /nfs/dbraw/zinc/60/25/52/372602552.db2.gz MNBIRPMPMLKKFQ-QJPTWQEYSA-N 2 1 232.331 0.954 10 0 BCAEMP Cc1noc(CCC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837063 372626510 /nfs/dbraw/zinc/62/65/10/372626510.db2.gz MJHGGDLPEDEBRP-KOLCDFICSA-N 2 1 238.335 0.837 10 0 BCAEMP Cc1noc(CCC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631837062 372627959 /nfs/dbraw/zinc/62/79/59/372627959.db2.gz MJHGGDLPEDEBRP-GXSJLCMTSA-N 2 1 238.335 0.837 10 0 BCAEMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837733 372628660 /nfs/dbraw/zinc/62/86/60/372628660.db2.gz DSMXOYCIZOHLEP-CMPLNLGQSA-N 2 1 222.336 0.489 10 0 BCAEMP Cc1nnsc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837550 372628905 /nfs/dbraw/zinc/62/89/05/372628905.db2.gz TWYJVNHXEAALCW-IONNQARKSA-N 2 1 226.349 0.873 10 0 BCAEMP Cc1nnsc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837550 372628916 /nfs/dbraw/zinc/62/89/16/372628916.db2.gz TWYJVNHXEAALCW-IONNQARKSA-N 2 1 226.349 0.873 10 0 BCAEMP C[C@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631838590 372634656 /nfs/dbraw/zinc/63/46/56/372634656.db2.gz QURIGKCMBZXPFM-QWHCGFSZSA-N 2 1 241.379 0.235 10 0 BCAEMP CC(C)CNC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842771 372641754 /nfs/dbraw/zinc/64/17/54/372641754.db2.gz FOGDYAIWXLPJGW-QWRGUYRKSA-N 2 1 227.352 0.285 10 0 BCAEMP CC(C)CNC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842771 372641758 /nfs/dbraw/zinc/64/17/58/372641758.db2.gz FOGDYAIWXLPJGW-QWRGUYRKSA-N 2 1 227.352 0.285 10 0 BCAEMP O=C(C[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246836016 182029775 /nfs/dbraw/zinc/02/97/75/182029775.db2.gz DDRSYEMVGYEYBQ-NEPJUHHUSA-N 2 1 237.347 0.293 10 0 BCAEMP O=C1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1 ZINC000062100553 182741118 /nfs/dbraw/zinc/74/11/18/182741118.db2.gz CHNDNLWOEGUKRQ-LLVKDONJSA-N 2 1 225.336 0.198 10 0 BCAEMP OC[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000049474429 183151663 /nfs/dbraw/zinc/15/16/63/183151663.db2.gz AIEATRLNESKNPB-LBPRGKRZSA-N 2 1 212.337 0.787 10 0 BCAEMP CCC[N@H+](CC(=O)N(C)CCC[NH3+])CC1CC1 ZINC000035452164 169092806 /nfs/dbraw/zinc/09/28/06/169092806.db2.gz XRCQWKHRNSJJFU-UHFFFAOYSA-N 2 1 241.379 0.916 10 0 BCAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC000037208381 169195339 /nfs/dbraw/zinc/19/53/39/169195339.db2.gz XIMPYMKTFMSKEU-GHMZBOCLSA-N 2 1 227.352 0.572 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC000037208381 169195341 /nfs/dbraw/zinc/19/53/41/169195341.db2.gz XIMPYMKTFMSKEU-GHMZBOCLSA-N 2 1 227.352 0.572 10 0 BCAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C(N)=O)C1 ZINC000035792358 169197778 /nfs/dbraw/zinc/19/77/78/169197778.db2.gz OFKMPAXLSAAIQA-WOPDTQHZSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C(N)=O)C1 ZINC000035792358 169197780 /nfs/dbraw/zinc/19/77/80/169197780.db2.gz OFKMPAXLSAAIQA-WOPDTQHZSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000070822571 169387044 /nfs/dbraw/zinc/38/70/44/169387044.db2.gz PNVVTVXFWQKTFV-WDEREUQCSA-N 2 1 227.352 0.524 10 0 BCAEMP Cc1cc(N(C)CCOCC[NH3+])nc(C)[nH+]1 ZINC000301016064 383823883 /nfs/dbraw/zinc/82/38/83/383823883.db2.gz IFXYWLFTECKQPQ-UHFFFAOYSA-N 2 1 224.308 0.505 10 0 BCAEMP COC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721053 383840590 /nfs/dbraw/zinc/84/05/90/383840590.db2.gz UBVSETMIRVBZBE-JTQLQIEISA-N 2 1 214.309 0.753 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070534451 383934831 /nfs/dbraw/zinc/93/48/31/383934831.db2.gz XJSHNLRNDCIBPB-NXEZZACHSA-N 2 1 214.309 0.609 10 0 BCAEMP CC(C)N1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1=O ZINC000569455975 384061151 /nfs/dbraw/zinc/06/11/51/384061151.db2.gz FRBCNMDBRJBVEB-RYUDHWBXSA-N 2 1 239.363 0.585 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000132379475 384186586 /nfs/dbraw/zinc/18/65/86/384186586.db2.gz LEQVYWQQKMCVNZ-RKDXNWHRSA-N 2 1 200.282 0.219 10 0 BCAEMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000400343485 384195228 /nfs/dbraw/zinc/19/52/28/384195228.db2.gz IFCGKZZSZVVEKY-TUAOUCFPSA-N 2 1 211.353 0.668 10 0 BCAEMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CC[NH2+]C1 ZINC000400343485 384195231 /nfs/dbraw/zinc/19/52/31/384195231.db2.gz IFCGKZZSZVVEKY-TUAOUCFPSA-N 2 1 211.353 0.668 10 0 BCAEMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1C ZINC000647512571 384409300 /nfs/dbraw/zinc/40/93/00/384409300.db2.gz CALWRMXKAANQGB-DRZSPHRISA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nn1C ZINC000647512571 384409306 /nfs/dbraw/zinc/40/93/06/384409306.db2.gz CALWRMXKAANQGB-DRZSPHRISA-N 2 1 234.347 0.898 10 0 BCAEMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236713220 384556988 /nfs/dbraw/zinc/55/69/88/384556988.db2.gz SWEJAHJATFWWBT-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP COC(=O)[C@@]1(C)CCC[N@@H+]1CCn1ccnc1 ZINC000186372566 384839484 /nfs/dbraw/zinc/83/94/84/384839484.db2.gz JVGRDWDNWHGTMG-GFCCVEGCSA-N 2 1 237.303 0.911 10 0 BCAEMP COC(=O)[C@@]1(C)CCC[N@H+]1CCn1ccnc1 ZINC000186372566 384839488 /nfs/dbraw/zinc/83/94/88/384839488.db2.gz JVGRDWDNWHGTMG-GFCCVEGCSA-N 2 1 237.303 0.911 10 0 BCAEMP C[NH+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000037694126 385309471 /nfs/dbraw/zinc/30/94/71/385309471.db2.gz QCAAJVHGOUIUDD-UHFFFAOYSA-N 2 1 200.326 0.783 10 0 BCAEMP CC[NH2+][C@H](C)[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 ZINC000156731706 385467913 /nfs/dbraw/zinc/46/79/13/385467913.db2.gz UOZLGEWBCAIXLT-GMTAPVOTSA-N 2 1 200.326 0.830 10 0 BCAEMP C(CN1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000251079593 385935614 /nfs/dbraw/zinc/93/56/14/385935614.db2.gz GTBSRLFTFFVCLL-CHWSQXEVSA-N 2 1 223.364 0.766 10 0 BCAEMP COC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000124419436 386035946 /nfs/dbraw/zinc/03/59/46/386035946.db2.gz MQWPSGLLTWJDTO-SECBINFHSA-N 2 1 200.282 0.219 10 0 BCAEMP COC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000124419436 386035949 /nfs/dbraw/zinc/03/59/49/386035949.db2.gz MQWPSGLLTWJDTO-SECBINFHSA-N 2 1 200.282 0.219 10 0 BCAEMP COC(=O)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 ZINC000125302394 386244487 /nfs/dbraw/zinc/24/44/87/386244487.db2.gz DAZWARSXQLADLM-SECBINFHSA-N 2 1 200.282 0.220 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000310546568 386200122 /nfs/dbraw/zinc/20/01/22/386200122.db2.gz SLSDNODKTGOJQV-STQMWFEESA-N 2 1 243.395 0.323 10 0 BCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000062895517 386529134 /nfs/dbraw/zinc/52/91/34/386529134.db2.gz LKNQNJCHPZGGAS-YPMHNXCESA-N 2 1 237.347 0.293 10 0 BCAEMP Cc1c[nH]nc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000414799106 386578478 /nfs/dbraw/zinc/57/84/78/386578478.db2.gz JNSQCBTXWTXYHF-UWVGGRQHSA-N 2 1 208.309 0.935 10 0 BCAEMP Cc1c[nH]nc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000414799107 386579303 /nfs/dbraw/zinc/57/93/03/386579303.db2.gz JNSQCBTXWTXYHF-VHSXEESVSA-N 2 1 208.309 0.935 10 0 BCAEMP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cnn1C ZINC000126757390 387038867 /nfs/dbraw/zinc/03/88/67/387038867.db2.gz ZVRIWLCFEJQTHA-GXSJLCMTSA-N 2 1 222.336 0.898 10 0 BCAEMP C[C@@]1(CN2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000250785781 387120761 /nfs/dbraw/zinc/12/07/61/387120761.db2.gz GAVXKCVPVXOCGS-QWHCGFSZSA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000250795152 387122011 /nfs/dbraw/zinc/12/20/11/387122011.db2.gz LKNQNJCHPZGGAS-AAEUAGOBSA-N 2 1 237.347 0.293 10 0 BCAEMP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000643454665 387384355 /nfs/dbraw/zinc/38/43/55/387384355.db2.gz LRHUIKTZOINDRN-WOPDTQHZSA-N 2 1 213.369 0.914 10 0 BCAEMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000515851442 387428795 /nfs/dbraw/zinc/42/87/95/387428795.db2.gz PCYPIXHJJVKOHH-GRYCIOLGSA-N 2 1 237.347 0.420 10 0 BCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000305776414 387650620 /nfs/dbraw/zinc/65/06/20/387650620.db2.gz KRCXUJGAFZSWEQ-KXNHARMFSA-N 2 1 242.363 0.312 10 0 BCAEMP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000440964590 387718851 /nfs/dbraw/zinc/71/88/51/387718851.db2.gz RRBVOLWVDRIZDJ-QJPTWQEYSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503634 387835995 /nfs/dbraw/zinc/83/59/95/387835995.db2.gz JFXCAGRZGXVKIM-ZJUUUORDSA-N 2 1 213.325 0.324 10 0 BCAEMP C[NH2+][C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000085432117 388088799 /nfs/dbraw/zinc/08/87/99/388088799.db2.gz KECHOVQCDOFIHX-SNVBAGLBSA-N 2 1 235.335 0.731 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccsc1 ZINC000261528302 135153233 /nfs/dbraw/zinc/15/32/33/135153233.db2.gz MLFYOQWXTAZFJH-VHSXEESVSA-N 2 1 212.318 0.418 10 0 BCAEMP CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000334669917 388445964 /nfs/dbraw/zinc/44/59/64/388445964.db2.gz UMFPMCZFBAKEGD-ZYHUDNBSSA-N 2 1 239.363 0.727 10 0 BCAEMP C[C@H]1CC[C@H](O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000378718986 388485569 /nfs/dbraw/zinc/48/55/69/388485569.db2.gz DRIUKSLEHTWQRN-JQWIXIFHSA-N 2 1 212.337 0.831 10 0 BCAEMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842936 388610396 /nfs/dbraw/zinc/61/03/96/388610396.db2.gz HPPQFMROMVSFKI-WOPDTQHZSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842936 388610397 /nfs/dbraw/zinc/61/03/97/388610397.db2.gz HPPQFMROMVSFKI-WOPDTQHZSA-N 2 1 241.379 0.674 10 0 BCAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)O)CC1 ZINC000248644353 388688732 /nfs/dbraw/zinc/68/87/32/388688732.db2.gz FFTBSRQPGHBHLM-NWDGAFQWSA-N 2 1 244.379 0.392 10 0 BCAEMP COCC[N@@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566091055 388984984 /nfs/dbraw/zinc/98/49/84/388984984.db2.gz YOSSZVPTVPRABU-STQMWFEESA-N 2 1 243.395 0.542 10 0 BCAEMP COCC[N@H+](C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566091055 388984981 /nfs/dbraw/zinc/98/49/81/388984981.db2.gz YOSSZVPTVPRABU-STQMWFEESA-N 2 1 243.395 0.542 10 0 BCAEMP C(CN1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000086933106 533360876 /nfs/dbraw/zinc/36/08/76/533360876.db2.gz GTBSRLFTFFVCLL-STQMWFEESA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400345643 533394979 /nfs/dbraw/zinc/39/49/79/533394979.db2.gz ITKOMPIOWDFHQS-VXGBXAGGSA-N 2 1 211.353 0.670 10 0 BCAEMP C[C@H](C[NH3+])C[NH+]1CCN(c2ccccn2)CC1 ZINC000011804671 132320876 /nfs/dbraw/zinc/32/08/76/132320876.db2.gz GUSUYJGKHOPYNZ-GFCCVEGCSA-N 2 1 234.347 0.798 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000178836037 134315434 /nfs/dbraw/zinc/31/54/34/134315434.db2.gz ZTLDNVHZGJOJIA-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000250348056 135052614 /nfs/dbraw/zinc/05/26/14/135052614.db2.gz HWKJDQNQRILNDX-WDEREUQCSA-N 2 1 200.326 0.783 10 0 BCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH3+] ZINC000251536437 135070556 /nfs/dbraw/zinc/07/05/56/135070556.db2.gz AOFOYTMAOFSNAJ-NEPJUHHUSA-N 2 1 211.353 0.894 10 0 BCAEMP [NH3+]C[C@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000086832921 135097545 /nfs/dbraw/zinc/09/75/45/135097545.db2.gz PXISVXDNODASLX-QMMMGPOBSA-N 2 1 227.695 0.899 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOCC[NH3+] ZINC000086932858 135103344 /nfs/dbraw/zinc/10/33/44/135103344.db2.gz UWDCYZNRRHBKCC-NWDGAFQWSA-N 2 1 227.352 0.130 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000257701176 135140266 /nfs/dbraw/zinc/14/02/66/135140266.db2.gz QBSMUQRKEPEYSB-ZDUSSCGKSA-N 2 1 234.347 0.914 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000257701176 135140268 /nfs/dbraw/zinc/14/02/68/135140268.db2.gz QBSMUQRKEPEYSB-ZDUSSCGKSA-N 2 1 234.347 0.914 10 0 BCAEMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261545722 135150324 /nfs/dbraw/zinc/15/03/24/135150324.db2.gz KFDXJIKIGBWLPL-IJLUTSLNSA-N 2 1 212.337 0.689 10 0 BCAEMP Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000261530129 135157363 /nfs/dbraw/zinc/15/73/63/135157363.db2.gz CBDPLINTLLMZGP-GMSGAONNSA-N 2 1 206.293 0.877 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261536239 135171370 /nfs/dbraw/zinc/17/13/70/135171370.db2.gz QWTFEAJESQVFCK-VIFPVBQESA-N 2 1 214.309 0.609 10 0 BCAEMP Cn1cc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261544957 135186107 /nfs/dbraw/zinc/18/61/07/135186107.db2.gz FKADFEQQHXRNIB-OLZOCXBDSA-N 2 1 234.347 0.504 10 0 BCAEMP CN(C)c1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000261554003 135193769 /nfs/dbraw/zinc/19/37/69/135193769.db2.gz ANURYRXIUKRAGK-HBNTYKKESA-N 2 1 247.346 0.716 10 0 BCAEMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261560434 135200947 /nfs/dbraw/zinc/20/09/47/135200947.db2.gz UPNKZIAZFPXTTD-GHMZBOCLSA-N 2 1 236.319 0.435 10 0 BCAEMP Cn1cc([C@H]2CCC[N@H+]2CCOCC[NH3+])cn1 ZINC000261563380 135205235 /nfs/dbraw/zinc/20/52/35/135205235.db2.gz XAAYUNXLJDOEDO-GFCCVEGCSA-N 2 1 238.335 0.532 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163807596 135207330 /nfs/dbraw/zinc/20/73/30/135207330.db2.gz GNXUJJRGRMOLOV-UWVGGRQHSA-N 2 1 214.309 0.466 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000261583366 135224444 /nfs/dbraw/zinc/22/44/44/135224444.db2.gz OYJSFOZLWHZISI-INTQDDNPSA-N 2 1 206.293 0.579 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000261583366 135224445 /nfs/dbraw/zinc/22/44/45/135224445.db2.gz OYJSFOZLWHZISI-INTQDDNPSA-N 2 1 206.293 0.579 10 0 BCAEMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261596401 135235673 /nfs/dbraw/zinc/23/56/73/135235673.db2.gz YVCXSOIFGINFPE-TUAOUCFPSA-N 2 1 220.320 0.589 10 0 BCAEMP C[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261656323 135243401 /nfs/dbraw/zinc/24/34/01/135243401.db2.gz HTVNFDHBRONIJU-AAEUAGOBSA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261656323 135243403 /nfs/dbraw/zinc/24/34/03/135243403.db2.gz HTVNFDHBRONIJU-AAEUAGOBSA-N 2 1 237.347 0.420 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261746157 135249073 /nfs/dbraw/zinc/24/90/73/135249073.db2.gz JCGRVUJUUQGFAZ-ZYHUDNBSSA-N 2 1 225.336 0.196 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261746157 135249074 /nfs/dbraw/zinc/24/90/74/135249074.db2.gz 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/nfs/dbraw/zinc/28/18/99/135281899.db2.gz RCEGXEFEDJKGNN-PSASIEDQSA-N 2 1 241.360 0.375 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCCC[N@@H+](C)CCOC ZINC000262164176 135282733 /nfs/dbraw/zinc/28/27/33/135282733.db2.gz VNNIYQDHOVAEJE-NSHDSACASA-N 2 1 245.367 0.198 10 0 BCAEMP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263128145 135334682 /nfs/dbraw/zinc/33/46/82/135334682.db2.gz BLJCZWHDXRDNPH-VHSXEESVSA-N 2 1 241.360 0.430 10 0 BCAEMP Cc1nc(C)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263128140 135334999 /nfs/dbraw/zinc/33/49/99/135334999.db2.gz BLJCZWHDXRDNPH-NXEZZACHSA-N 2 1 241.360 0.430 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000263217827 135340299 /nfs/dbraw/zinc/34/02/99/135340299.db2.gz LEJWPZJSPAHLBD-STQMWFEESA-N 2 1 247.342 0.325 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236825 135341943 /nfs/dbraw/zinc/34/19/43/135341943.db2.gz BSTOAUPPVGYIAG-MWLCHTKSSA-N 2 1 225.336 0.004 10 0 BCAEMP Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263264772 135343262 /nfs/dbraw/zinc/34/32/62/135343262.db2.gz RLSQGYGAEXOEHJ-DGCLKSJQSA-N 2 1 238.306 0.804 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263306140 135345858 /nfs/dbraw/zinc/34/58/58/135345858.db2.gz XWZQZVYPAUHCPB-AAEUAGOBSA-N 2 1 238.306 0.804 10 0 BCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCO)CC1 ZINC000105915449 397786516 /nfs/dbraw/zinc/78/65/16/397786516.db2.gz LGULEYBGLFWWTB-LBPRGKRZSA-N 2 1 244.379 0.393 10 0 BCAEMP CC[NH2+][C@H](C)CNc1cc(C)[nH+]c(C)n1 ZINC000387626618 397923665 /nfs/dbraw/zinc/92/36/65/397923665.db2.gz DIIQAIFDRHCXTK-SECBINFHSA-N 2 1 208.309 0.925 10 0 BCAEMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH3+] ZINC000383405767 398018492 /nfs/dbraw/zinc/01/84/92/398018492.db2.gz AGKCUIXWDAOWOX-NWDGAFQWSA-N 2 1 211.353 0.894 10 0 BCAEMP CC(C)NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042602128 167049084 /nfs/dbraw/zinc/04/90/84/167049084.db2.gz RIHTWPFLYAAAIY-NEPJUHHUSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042602128 167049087 /nfs/dbraw/zinc/04/90/87/167049087.db2.gz RIHTWPFLYAAAIY-NEPJUHHUSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042810 167082001 /nfs/dbraw/zinc/08/20/01/167082001.db2.gz ZWAGVMFOGMHUDF-LBPRGKRZSA-N 2 1 239.363 0.727 10 0 BCAEMP CC(C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042810 167082002 /nfs/dbraw/zinc/08/20/02/167082002.db2.gz ZWAGVMFOGMHUDF-LBPRGKRZSA-N 2 1 239.363 0.727 10 0 BCAEMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255581 409552774 /nfs/dbraw/zinc/55/27/74/409552774.db2.gz FDSDYXLKSHTQQE-TUAOUCFPSA-N 2 1 240.347 0.617 10 0 BCAEMP Cc1[nH+]ccn1CCn1cc(C(C)(C)[NH3+])nn1 ZINC000070117951 410664806 /nfs/dbraw/zinc/66/48/06/410664806.db2.gz VQBFSPJFTZBEQH-UHFFFAOYSA-N 2 1 234.307 0.677 10 0 BCAEMP Cn1cc([C@@H]2CCC[N@H+]2CCC[NH3+])cn1 ZINC000308814153 410771421 /nfs/dbraw/zinc/77/14/21/410771421.db2.gz ANVQRJCSEYIZBB-NSHDSACASA-N 2 1 208.309 0.906 10 0 BCAEMP CN(C)c1nc(NCCC2(C[NH3+])CC2)cc[nH+]1 ZINC000395947112 410867303 /nfs/dbraw/zinc/86/73/03/410867303.db2.gz MQYZRAUUBYZLDA-UHFFFAOYSA-N 2 1 235.335 0.505 10 0 BCAEMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042308781 410988877 /nfs/dbraw/zinc/98/88/77/410988877.db2.gz KMNPAJQDDSHUGX-GFCCVEGCSA-N 2 1 227.352 0.002 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O)C1CC1 ZINC000310401869 411236900 /nfs/dbraw/zinc/23/69/00/411236900.db2.gz NHTWAPDLBJGXGA-RAIGVLPGSA-N 2 1 242.363 0.192 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O)C1CC1 ZINC000310401869 411236903 /nfs/dbraw/zinc/23/69/03/411236903.db2.gz NHTWAPDLBJGXGA-RAIGVLPGSA-N 2 1 242.363 0.192 10 0 BCAEMP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659925444 411500809 /nfs/dbraw/zinc/50/08/09/411500809.db2.gz JHTINTNQHHNGQN-IJLUTSLNSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161967303 170007640 /nfs/dbraw/zinc/00/76/40/170007640.db2.gz IUOBWCFAUKOWBT-RYUDHWBXSA-N 2 1 239.363 0.444 10 0 BCAEMP CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073653873 170010861 /nfs/dbraw/zinc/01/08/61/170010861.db2.gz TYTKITZIXSJELE-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000036780315 170065432 /nfs/dbraw/zinc/06/54/32/170065432.db2.gz WRHHPGNSXYPULV-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000036780315 170065433 /nfs/dbraw/zinc/06/54/33/170065433.db2.gz WRHHPGNSXYPULV-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062072001 170087808 /nfs/dbraw/zinc/08/78/08/170087808.db2.gz RNIAQRVHSLANTR-NWDGAFQWSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061299230 170107438 /nfs/dbraw/zinc/10/74/38/170107438.db2.gz AMYAEPHNPLJLGY-JTQLQIEISA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+]C[C@@H](C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000104132312 170117942 /nfs/dbraw/zinc/11/79/42/170117942.db2.gz GOJYTQUKPSUFMY-VXGBXAGGSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000061266911 170122036 /nfs/dbraw/zinc/12/20/36/170122036.db2.gz ZYBCBYQHTLIKHG-NWDGAFQWSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C[C@H]1CC[C@H](CN2CC[NH+](C)CC2)O1 ZINC000052379518 170123396 /nfs/dbraw/zinc/12/33/96/170123396.db2.gz BIYXDDMXMANTNY-CHWSQXEVSA-N 2 1 241.379 0.391 10 0 BCAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000104414855 170141341 /nfs/dbraw/zinc/14/13/41/170141341.db2.gz PXVCVRLABNZLJH-STQMWFEESA-N 2 1 244.379 0.705 10 0 BCAEMP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)C1=O ZINC000049648804 170168187 /nfs/dbraw/zinc/16/81/87/170168187.db2.gz YSFXLYPCHYUQNG-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP CCOCC[N@@H+](CC)CCC[C@@](C)([NH3+])C(N)=O ZINC000104200599 170394786 /nfs/dbraw/zinc/39/47/86/170394786.db2.gz QHYBCENLBDWTIR-GFCCVEGCSA-N 2 1 245.367 0.328 10 0 BCAEMP COC[C@@H](C[N@@H+]1CCC[C@H]1C[NH3+])OC 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/nfs/dbraw/zinc/35/99/86/172359986.db2.gz GXMUNGJCISDJSB-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037270194 172363003 /nfs/dbraw/zinc/36/30/03/172363003.db2.gz CQWYSMCSXYQEDS-GHMZBOCLSA-N 2 1 227.352 0.524 10 0 BCAEMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037270194 172363006 /nfs/dbraw/zinc/36/30/06/172363006.db2.gz CQWYSMCSXYQEDS-GHMZBOCLSA-N 2 1 227.352 0.524 10 0 BCAEMP CN(C)C(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037270196 172363716 /nfs/dbraw/zinc/36/37/16/172363716.db2.gz CQWYSMCSXYQEDS-MNOVXSKESA-N 2 1 227.352 0.524 10 0 BCAEMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037270196 172363717 /nfs/dbraw/zinc/36/37/17/172363717.db2.gz CQWYSMCSXYQEDS-MNOVXSKESA-N 2 1 227.352 0.524 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000044564403 173009393 /nfs/dbraw/zinc/00/93/93/173009393.db2.gz PXMYEZLQJNZJKK-QWRGUYRKSA-N 2 1 225.336 0.339 10 0 BCAEMP C[N@H+]1CCCN(c2ncc(C[NH3+])s2)CC1 ZINC000054863919 173018616 /nfs/dbraw/zinc/01/86/16/173018616.db2.gz WHQWSKIKCUDPSF-UHFFFAOYSA-N 2 1 226.349 0.744 10 0 BCAEMP C[N@H+]1CCCN(c2cc[nH+]cc2N)CC1 ZINC000020370453 173019478 /nfs/dbraw/zinc/01/94/78/173019478.db2.gz AYJOIUMYHAKLQZ-UHFFFAOYSA-N 2 1 206.293 0.806 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000226013877 173034001 /nfs/dbraw/zinc/03/40/01/173034001.db2.gz HRQUJGYUTHUERE-VXGBXAGGSA-N 2 1 211.353 0.812 10 0 BCAEMP CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000226013877 173034004 /nfs/dbraw/zinc/03/40/04/173034004.db2.gz HRQUJGYUTHUERE-VXGBXAGGSA-N 2 1 211.353 0.812 10 0 BCAEMP CN(CC(C)(C)C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000053248816 173044078 /nfs/dbraw/zinc/04/40/78/173044078.db2.gz BCFVIQBRCOPHKJ-NSHDSACASA-N 2 1 213.369 0.997 10 0 BCAEMP C[N@H+]1CCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000226013890 173057113 /nfs/dbraw/zinc/05/71/13/173057113.db2.gz HRQUJGYUTHUERE-NEPJUHHUSA-N 2 1 211.353 0.812 10 0 BCAEMP CN1CCC[C@H]1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000226013890 173057117 /nfs/dbraw/zinc/05/71/17/173057117.db2.gz HRQUJGYUTHUERE-NEPJUHHUSA-N 2 1 211.353 0.812 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432805 173057477 /nfs/dbraw/zinc/05/74/77/173057477.db2.gz XTIRGYJAMOJPTL-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP C[N@@H+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000104129835 173070999 /nfs/dbraw/zinc/07/09/99/173070999.db2.gz KHDDOMLLCOJTLJ-CYBMUJFWSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000104129835 173071002 /nfs/dbraw/zinc/07/10/02/173071002.db2.gz KHDDOMLLCOJTLJ-CYBMUJFWSA-N 2 1 239.363 0.539 10 0 BCAEMP C[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764268 173078774 /nfs/dbraw/zinc/07/87/74/173078774.db2.gz GNOJHODCYXSCGW-LBPRGKRZSA-N 2 1 211.353 0.766 10 0 BCAEMP CN1CC[NH+](CCOc2ccc(C[NH3+])cc2)CC1 ZINC000031977884 173082881 /nfs/dbraw/zinc/08/28/81/173082881.db2.gz XESICWPOGOAADV-UHFFFAOYSA-N 2 1 249.358 0.772 10 0 BCAEMP 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0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000042549638 173121153 /nfs/dbraw/zinc/12/11/53/173121153.db2.gz ZJYJNNPHTVLMGT-GFCCVEGCSA-N 2 1 248.330 0.971 10 0 BCAEMP C[N@@H+]1CC[C@@](C[NH3+])(N2CCSCC2)C1 ZINC000061990124 173134882 /nfs/dbraw/zinc/13/48/82/173134882.db2.gz HDOOJYKVYICFDV-JTQLQIEISA-N 2 1 215.366 0.068 10 0 BCAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCSCC2)C1 ZINC000061990124 173134884 /nfs/dbraw/zinc/13/48/84/173134884.db2.gz HDOOJYKVYICFDV-JTQLQIEISA-N 2 1 215.366 0.068 10 0 BCAEMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2C[NH2+]C2)C1 ZINC000336598808 173135727 /nfs/dbraw/zinc/13/57/27/173135727.db2.gz RKWWPAMTUAOZAP-CMPLNLGQSA-N 2 1 237.347 0.149 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000163515739 173142800 /nfs/dbraw/zinc/14/28/00/173142800.db2.gz WVJOJSKHDDFVCR-WDEREUQCSA-N 2 1 225.336 0.149 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH2+]CC1 ZINC000071189691 173143187 /nfs/dbraw/zinc/14/31/87/173143187.db2.gz CYWFYNGLDCUTOF-NSHDSACASA-N 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OHHGLMSZROODOZ-GFCCVEGCSA-N 2 1 212.337 0.954 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000042549082 173150326 /nfs/dbraw/zinc/15/03/26/173150326.db2.gz LAUAWQDLZQEWTK-NSHDSACASA-N 2 1 225.336 0.339 10 0 BCAEMP CN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304173 173150591 /nfs/dbraw/zinc/15/05/91/173150591.db2.gz PJNFZMYQYCLSHB-UWVGGRQHSA-N 2 1 225.336 0.276 10 0 BCAEMP CN1CC[C@H]([N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304173 173150593 /nfs/dbraw/zinc/15/05/93/173150593.db2.gz PJNFZMYQYCLSHB-UWVGGRQHSA-N 2 1 225.336 0.276 10 0 BCAEMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2C[NH2+]C2)C1 ZINC000336598810 173163426 /nfs/dbraw/zinc/16/34/26/173163426.db2.gz RKWWPAMTUAOZAP-PWSUYJOCSA-N 2 1 237.347 0.149 10 0 BCAEMP CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000051761641 173255669 /nfs/dbraw/zinc/25/56/69/173255669.db2.gz KEHBKSZOAHGPBI-PBINXNQUSA-N 2 1 211.309 0.077 10 0 BCAEMP CNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C)C2 ZINC000054629057 173255887 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1 247.346 0.502 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000049666993 177281619 /nfs/dbraw/zinc/28/16/19/177281619.db2.gz WKGFLHOOKUFXFJ-NWDGAFQWSA-N 2 1 228.336 0.333 10 0 BCAEMP C[C@H]1COCCN1[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000035774858 177293617 /nfs/dbraw/zinc/29/36/17/177293617.db2.gz QEWZNXUTPNDRMG-WCQYABFASA-N 2 1 239.363 0.130 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000228480027 487656875 /nfs/dbraw/zinc/65/68/75/487656875.db2.gz KOKKRJMRTFYMFO-VXGBXAGGSA-N 2 1 241.379 0.818 10 0 BCAEMP CN1CCN(c2cc[nH+]cc2Cl)[C@H](C[NH3+])C1 ZINC000087613843 487671979 /nfs/dbraw/zinc/67/19/79/487671979.db2.gz KBWLZJSMPQVEIT-SECBINFHSA-N 2 1 240.738 0.814 10 0 BCAEMP C[C@H](CO)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120967815 490072433 /nfs/dbraw/zinc/07/24/33/490072433.db2.gz USNPBYCYCPTMMN-WDEREUQCSA-N 2 1 200.326 0.498 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136204584 487717370 /nfs/dbraw/zinc/71/73/70/487717370.db2.gz 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AHMKWWKZESTRIT-QJPTWQEYSA-N 2 1 210.321 0.707 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1C[NH3+] ZINC000708877242 712201767 /nfs/dbraw/zinc/20/17/67/712201767.db2.gz LUCCYQFTMYCSNU-WOPDTQHZSA-N 2 1 212.337 0.940 10 0 BCAEMP CC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919372 712203442 /nfs/dbraw/zinc/20/34/42/712203442.db2.gz TWNSELITXRNOEA-AXFHLTTASA-N 2 1 216.325 0.195 10 0 BCAEMP CC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919372 712203443 /nfs/dbraw/zinc/20/34/43/712203443.db2.gz TWNSELITXRNOEA-AXFHLTTASA-N 2 1 216.325 0.195 10 0 BCAEMP CC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919373 712203546 /nfs/dbraw/zinc/20/35/46/712203546.db2.gz TWNSELITXRNOEA-DCAQKATOSA-N 2 1 216.325 0.195 10 0 BCAEMP CC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000708919373 712203547 /nfs/dbraw/zinc/20/35/47/712203547.db2.gz TWNSELITXRNOEA-DCAQKATOSA-N 2 1 216.325 0.195 10 0 BCAEMP COC1CC(C[N@H+]2C[C@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000708955197 712204246 /nfs/dbraw/zinc/20/42/46/712204246.db2.gz BNLAFXQTYIJWBM-TUUUFIMRSA-N 2 1 242.363 0.850 10 0 BCAEMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000709849414 712230156 /nfs/dbraw/zinc/23/01/56/712230156.db2.gz WIODDPZOCFZPKQ-FRRDWIJNSA-N 2 1 224.348 0.831 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOC3CC3)C[C@H]12 ZINC000711754972 712324948 /nfs/dbraw/zinc/32/49/48/712324948.db2.gz VIPVFAZZRSKLGV-ZMLRMANQSA-N 2 1 210.321 0.835 10 0 BCAEMP C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000716686448 712569947 /nfs/dbraw/zinc/56/99/47/712569947.db2.gz YLSQZOOGABVXDW-IDWGSYCQSA-N 2 1 225.336 0.371 10 0 BCAEMP NC(=O)C1CC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000716721229 712570948 /nfs/dbraw/zinc/57/09/48/712570948.db2.gz AIYVHAQDHMZJAR-VCQNEHTGSA-N 2 1 245.326 0.985 10 0 BCAEMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901469 712875610 /nfs/dbraw/zinc/87/56/10/712875610.db2.gz SALRTASNGGPNAT-QQFIATSDSA-N 2 1 237.347 0.419 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000380153552 398187500 /nfs/dbraw/zinc/18/75/00/398187500.db2.gz SNDAEPRPPHNIBE-RWMBFGLXSA-N 2 1 244.379 0.845 10 0 BCAEMP Cc1cc(NCCN2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000037756877 178161643 /nfs/dbraw/zinc/16/16/43/178161643.db2.gz BDGIVHCZLJXSJJ-UHFFFAOYSA-N 2 1 235.335 0.411 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000092630191 398235926 /nfs/dbraw/zinc/23/59/26/398235926.db2.gz MPAIKBUXONYRDA-NEPJUHHUSA-N 2 1 241.379 0.912 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381201003 538996108 /nfs/dbraw/zinc/99/61/08/538996108.db2.gz FINXDGAQCBUJQM-AXFHLTTASA-N 2 1 221.304 0.965 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000036872930 342992531 /nfs/dbraw/zinc/99/25/31/342992531.db2.gz XNOLNNSSXDBVBD-MNOVXSKESA-N 2 1 227.352 0.714 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000134156078 343188210 /nfs/dbraw/zinc/18/82/10/343188210.db2.gz DODSWLVIWUIUJY-RKDXNWHRSA-N 2 1 200.282 0.361 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000121401680 343266493 /nfs/dbraw/zinc/26/64/93/343266493.db2.gz SHRPNHCQYZXVHO-CYBMUJFWSA-N 2 1 239.363 0.729 10 0 BCAEMP CC(C)COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037894172 187260966 /nfs/dbraw/zinc/26/09/66/187260966.db2.gz CQHPFKSZDOGOCE-CHWSQXEVSA-N 2 1 244.379 0.561 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189747 187275343 /nfs/dbraw/zinc/27/53/43/187275343.db2.gz BSOBGUQDMFYILH-VXGBXAGGSA-N 2 1 241.379 0.770 10 0 BCAEMP CC[N@H+]1C[C@@H](C)N(C(=O)C2C[NH2+]C2)C[C@H]1C ZINC000335894933 344045356 /nfs/dbraw/zinc/04/53/56/344045356.db2.gz DZGFTYVZMJAFKM-NXEZZACHSA-N 2 1 225.336 0.147 10 0 BCAEMP C1CCC([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1 ZINC000083255595 187284088 /nfs/dbraw/zinc/28/40/88/187284088.db2.gz XTZYZUOLJIZYLX-ZDUSSCGKSA-N 2 1 223.364 0.909 10 0 BCAEMP Cn1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000309347454 347039453 /nfs/dbraw/zinc/03/94/53/347039453.db2.gz MLPDPXHITFJLIP-MVWJERBFSA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000309347454 347039457 /nfs/dbraw/zinc/03/94/57/347039457.db2.gz MLPDPXHITFJLIP-MVWJERBFSA-N 2 1 220.320 0.589 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000600709669 344361081 /nfs/dbraw/zinc/36/10/81/344361081.db2.gz PJVUQBUTIJEKLO-SDDRHHMPSA-N 2 1 240.347 0.999 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[NH2+]C1CC1 ZINC000092630262 344299986 /nfs/dbraw/zinc/29/99/86/344299986.db2.gz IPICXTRBNNUXBO-GFCCVEGCSA-N 2 1 239.363 0.681 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649667 344555160 /nfs/dbraw/zinc/55/51/60/344555160.db2.gz UQECCAKCLSUPFL-JQWIXIFHSA-N 2 1 239.363 0.714 10 0 BCAEMP CC(C)[N@H+]1CC[C@@]2(C1)OC[C@@H](C[NH3+])O2 ZINC000226770756 344990973 /nfs/dbraw/zinc/99/09/73/344990973.db2.gz HBPBZNLTLXSLIJ-NXEZZACHSA-N 2 1 200.282 0.171 10 0 BCAEMP Cc1nn(C)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998162 345197602 /nfs/dbraw/zinc/19/76/02/345197602.db2.gz BNXMHEJAHPRJBC-ONGXEEELSA-N 2 1 222.336 0.755 10 0 BCAEMP COC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998412 345198383 /nfs/dbraw/zinc/19/83/83/345198383.db2.gz FKUJQKFNCOZWIW-MXWKQRLJSA-N 2 1 200.326 0.796 10 0 BCAEMP [NH3+]CCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000133720308 345385105 /nfs/dbraw/zinc/38/51/05/345385105.db2.gz XZGAGWNTGWUTJA-UHFFFAOYSA-N 2 1 200.282 0.174 10 0 BCAEMP [NH3+]CCC[N@H+]1CCCC2(C1)OCCO2 ZINC000133720308 345385106 /nfs/dbraw/zinc/38/51/06/345385106.db2.gz XZGAGWNTGWUTJA-UHFFFAOYSA-N 2 1 200.282 0.174 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000248489328 345403664 /nfs/dbraw/zinc/40/36/64/345403664.db2.gz MVTGNCMHQOYDFT-MXWKQRLJSA-N 2 1 227.352 0.570 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251863827 345508102 /nfs/dbraw/zinc/50/81/02/345508102.db2.gz SSMHAABMDSFMBX-HBNTYKKESA-N 2 1 225.336 0.419 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012749 535008205 /nfs/dbraw/zinc/00/82/05/535008205.db2.gz ARRVTXZJZAPTPU-MNOVXSKESA-N 2 1 227.352 0.570 10 0 BCAEMP CCC[N@@H+](C)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250004952 362718846 /nfs/dbraw/zinc/71/88/46/362718846.db2.gz IXOPDSPLHJIQOM-GHMZBOCLSA-N 2 1 228.336 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241442 537979726 /nfs/dbraw/zinc/97/97/26/537979726.db2.gz FLHQBORWELORDF-JHJVBQTASA-N 2 1 223.364 0.907 10 0 BCAEMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000641797552 362742816 /nfs/dbraw/zinc/74/28/16/362742816.db2.gz FJOWECFSLJWAHF-GDPRMGEGSA-N 2 1 237.303 0.852 10 0 BCAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000641797552 362742822 /nfs/dbraw/zinc/74/28/22/362742822.db2.gz FJOWECFSLJWAHF-GDPRMGEGSA-N 2 1 237.303 0.852 10 0 BCAEMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])cc1C=O ZINC000725242609 537985248 /nfs/dbraw/zinc/98/52/48/537985248.db2.gz LSAIBEBSKZXXGH-RYUDHWBXSA-N 2 1 234.299 0.912 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1CO ZINC000622005006 370656191 /nfs/dbraw/zinc/65/61/91/370656191.db2.gz XQSIIECZLQIWNZ-FRRDWIJNSA-N 2 1 226.364 0.936 10 0 BCAEMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000390158059 347264447 /nfs/dbraw/zinc/26/44/47/347264447.db2.gz XVXKSTAFSJFRRU-LMLFDSFASA-N 2 1 225.336 0.132 10 0 BCAEMP CS[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000591835644 347703104 /nfs/dbraw/zinc/70/31/04/347703104.db2.gz ZHLRAUZUVWSGRE-NEPJUHHUSA-N 2 1 244.404 0.927 10 0 BCAEMP C[N@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037080993 348016903 /nfs/dbraw/zinc/01/69/03/348016903.db2.gz ZQHGXQKSNGISRF-WDEREUQCSA-N 2 1 226.320 0.704 10 0 BCAEMP C[N@@H+](C1CC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037080993 348016907 /nfs/dbraw/zinc/01/69/07/348016907.db2.gz ZQHGXQKSNGISRF-WDEREUQCSA-N 2 1 226.320 0.704 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](CC1CC1)CC[C@@H]2O ZINC000725246211 538004832 /nfs/dbraw/zinc/00/48/32/538004832.db2.gz RKNNVQXQMNJFJY-KGYLQXTDSA-N 2 1 224.348 0.689 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C1CC1)CC[C@H]2O ZINC000725246351 538006042 /nfs/dbraw/zinc/00/60/42/538006042.db2.gz UWFIATHGHAOWCT-YUSALJHKSA-N 2 1 210.321 0.441 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000252601561 349206650 /nfs/dbraw/zinc/20/66/50/349206650.db2.gz MLNYZCKXIBMOAV-SRVKXCTJSA-N 2 1 239.363 0.585 10 0 BCAEMP CN(C)c1nc(N(C)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000082924385 349251749 /nfs/dbraw/zinc/25/17/49/349251749.db2.gz GHZIVELPWMEVQH-SECBINFHSA-N 2 1 221.308 0.341 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000070618879 350027288 /nfs/dbraw/zinc/02/72/88/350027288.db2.gz VZXHMSDIFUSFTC-CMPLNLGQSA-N 2 1 225.336 0.196 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619290 350029410 /nfs/dbraw/zinc/02/94/10/350029410.db2.gz MHZHHDQQRZHPTA-GFCCVEGCSA-N 2 1 227.352 0.585 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000218944516 350108303 /nfs/dbraw/zinc/10/83/03/350108303.db2.gz ARIPYODQBORHGL-WDEREUQCSA-N 2 1 239.363 0.714 10 0 BCAEMP Cc1[nH+]ccn1CC[NH2+]CCN1CCOCC1 ZINC000049329912 180260804 /nfs/dbraw/zinc/26/08/04/180260804.db2.gz BZBCPMQXVLKOLE-UHFFFAOYSA-N 2 1 238.335 0.113 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000040503656 490438582 /nfs/dbraw/zinc/43/85/82/490438582.db2.gz XUOKNSOQUZFNPN-LLVKDONJSA-N 2 1 227.352 0.585 10 0 BCAEMP Cc1[nH+]ccn1[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043232532 180272068 /nfs/dbraw/zinc/27/20/68/180272068.db2.gz PXWJIVHUVMBTSM-LDYMZIIASA-N 2 1 219.292 0.862 10 0 BCAEMP Cc1[nH+]cn([C@H](C[NH3+])c2cnn(C)c2)c1C ZINC000051925760 180289816 /nfs/dbraw/zinc/28/98/16/180289816.db2.gz WLUVHTBWOJCPIB-LLVKDONJSA-N 2 1 219.292 0.782 10 0 BCAEMP Cc1c(C[NH2+]CCC[NH2+]C2CC2)cnn1C ZINC000163424941 350522354 /nfs/dbraw/zinc/52/23/54/350522354.db2.gz GYNKQYISPHVPPO-UHFFFAOYSA-N 2 1 222.336 0.960 10 0 BCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(N)=[NH2+] ZINC000306736794 350907990 /nfs/dbraw/zinc/90/79/90/350907990.db2.gz QSAUBGKUNZVWHA-ZYHUDNBSSA-N 2 1 232.331 0.990 10 0 BCAEMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000616631860 351109006 /nfs/dbraw/zinc/10/90/06/351109006.db2.gz HENWOGOXRUIEIU-CYBMUJFWSA-N 2 1 219.332 0.809 10 0 BCAEMP C[C@H]1CCC[N@H+](CC(C)(C)O)[C@H]1C[NH3+] ZINC000252105708 363069041 /nfs/dbraw/zinc/06/90/41/363069041.db2.gz GZJCTSLYSHROOV-UWVGGRQHSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@H]1CCC[N@@H+](CC(C)(C)O)[C@H]1C[NH3+] ZINC000252105708 363069045 /nfs/dbraw/zinc/06/90/45/363069045.db2.gz GZJCTSLYSHROOV-UWVGGRQHSA-N 2 1 200.326 0.817 10 0 BCAEMP [NH3+]C[C@@H]1CCC[C@H]1[N@H+]1CCC2(C1)OCCO2 ZINC000307278775 351835099 /nfs/dbraw/zinc/83/50/99/351835099.db2.gz VKIQIQLDWQASBH-WDEREUQCSA-N 2 1 226.320 0.563 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638080812 351953867 /nfs/dbraw/zinc/95/38/67/351953867.db2.gz RBSQFSWVJFIMOA-NEPJUHHUSA-N 2 1 237.347 0.634 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000638114960 351989910 /nfs/dbraw/zinc/98/99/10/351989910.db2.gz DDRQVJVRWGUTTP-TUAOUCFPSA-N 2 1 239.363 0.680 10 0 BCAEMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(O)c1F ZINC000725270365 538101899 /nfs/dbraw/zinc/10/18/99/538101899.db2.gz IYOQYZBHRSWDIH-VXNVDRBHSA-N 2 1 210.252 0.936 10 0 BCAEMP C[C@H]1CNCC[N@H+]1C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270382 538102083 /nfs/dbraw/zinc/10/20/83/538102083.db2.gz LEGUCBCSWDSIKP-QCXCNERSSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@H]1C[NH2+]CCN1C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270382 538102085 /nfs/dbraw/zinc/10/20/85/538102085.db2.gz LEGUCBCSWDSIKP-QCXCNERSSA-N 2 1 223.364 0.940 10 0 BCAEMP [NH3+][C@H]1CC12CCC([N@H+]1CC[C@@H](CO)C1)CC2 ZINC000725270398 538102196 /nfs/dbraw/zinc/10/21/96/538102196.db2.gz LVLIGBHQGPBITN-IGJPJIBNSA-N 2 1 224.348 0.961 10 0 BCAEMP [NH3+][C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000307436943 352596030 /nfs/dbraw/zinc/59/60/30/352596030.db2.gz UGZGRYIJBMRENQ-OLZOCXBDSA-N 2 1 245.326 0.430 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171143 352615241 /nfs/dbraw/zinc/61/52/41/352615241.db2.gz LZVICXGZDIYOKQ-NWDGAFQWSA-N 2 1 239.363 0.729 10 0 BCAEMP CCCC[N@H+](CCO)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273786 538105007 /nfs/dbraw/zinc/10/50/07/538105007.db2.gz GKJGGNXATLMTJR-QWHCGFSZSA-N 2 1 244.379 0.657 10 0 BCAEMP CCCC[N@@H+](CCO)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273786 538105008 /nfs/dbraw/zinc/10/50/08/538105008.db2.gz GKJGGNXATLMTJR-QWHCGFSZSA-N 2 1 244.379 0.657 10 0 BCAEMP CC(C)N(C)[C@@]1(C[NH3+])CC[N@H+](C2CC2)C1 ZINC000061990041 188013671 /nfs/dbraw/zinc/01/36/71/188013671.db2.gz YOMYATWSBLPNTK-GFCCVEGCSA-N 2 1 211.353 0.892 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)(C)C)C1 ZINC000077499022 188290729 /nfs/dbraw/zinc/29/07/29/188290729.db2.gz OHIZPTKHCAFDLP-IUCAKERBSA-N 2 1 213.325 0.180 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)C[NH3+] ZINC000252573102 353300133 /nfs/dbraw/zinc/30/01/33/353300133.db2.gz DKAVEMUYUGDQDG-GHMZBOCLSA-N 2 1 227.352 0.524 10 0 BCAEMP CC(C)[N@@H+](CCCO)CC1(C[NH3+])CCOCC1 ZINC000052198101 188299665 /nfs/dbraw/zinc/29/96/65/188299665.db2.gz WWGJFLRDCMMALH-UHFFFAOYSA-N 2 1 244.379 0.835 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054293027 188300176 /nfs/dbraw/zinc/30/01/76/188300176.db2.gz VQVUDODYPHGSAA-GFCCVEGCSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000165346529 353307186 /nfs/dbraw/zinc/30/71/86/353307186.db2.gz MVTGNCMHQOYDFT-AXFHLTTASA-N 2 1 227.352 0.570 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH3+])[C@@H](C)C1 ZINC000223239368 353382379 /nfs/dbraw/zinc/38/23/79/353382379.db2.gz HJRYTEIOCZOBSH-VWYCJHECSA-N 2 1 200.326 0.817 10 0 BCAEMP Cc1cc(C[NH2+]C2CC[NH+](CCO)CC2)ccn1 ZINC000398960460 353387625 /nfs/dbraw/zinc/38/76/25/353387625.db2.gz MCEPDFNDCPEYFA-UHFFFAOYSA-N 2 1 249.358 0.936 10 0 BCAEMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000230896539 353550567 /nfs/dbraw/zinc/55/05/67/353550567.db2.gz JSDYCLKLWISTJC-YPMHNXCESA-N 2 1 239.363 0.444 10 0 BCAEMP C[N@@H+](CCN1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000231669030 353642448 /nfs/dbraw/zinc/64/24/48/353642448.db2.gz PPXIXRXFAHUWQD-ZDUSSCGKSA-N 2 1 241.379 0.393 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CSCN2)C1 ZINC000165941811 354347716 /nfs/dbraw/zinc/34/77/16/354347716.db2.gz AEEYXPFAENLWLP-VHSXEESVSA-N 2 1 243.376 0.249 10 0 BCAEMP CCCCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000227911131 491066859 /nfs/dbraw/zinc/06/68/59/491066859.db2.gz UQWIPJNIWMQBBK-XQQFMLRXSA-N 2 1 242.363 0.315 10 0 BCAEMP Cc1nn(C)cc1CC1=C[C@@H]([NH3+])CNC1 ZINC000675079293 538517193 /nfs/dbraw/zinc/51/71/93/538517193.db2.gz XLYZXGAYBDCOFJ-LLVKDONJSA-N 2 1 206.293 0.128 10 0 BCAEMP CCCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321357260 538868795 /nfs/dbraw/zinc/86/87/95/538868795.db2.gz NAZVPJZUEHBWSV-UHFFFAOYSA-N 2 1 213.325 0.326 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCO[C@@H](C)C1 ZINC000685951182 538894609 /nfs/dbraw/zinc/89/46/09/538894609.db2.gz OXWBRGWVLZQSIS-WHOHXGKFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCO[C@@H](C)C1 ZINC000685951182 538894610 /nfs/dbraw/zinc/89/46/10/538894610.db2.gz OXWBRGWVLZQSIS-WHOHXGKFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000224049091 357832853 /nfs/dbraw/zinc/83/28/53/357832853.db2.gz UYDDPGNVGBUFLM-MCIGGMRASA-N 2 1 239.363 0.714 10 0 BCAEMP CC(C)(O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219250310 357988721 /nfs/dbraw/zinc/98/87/21/357988721.db2.gz PGNQZHXZLABXEW-QWRGUYRKSA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)(O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219250310 357988722 /nfs/dbraw/zinc/98/87/22/357988722.db2.gz PGNQZHXZLABXEW-QWRGUYRKSA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219250259 357988939 /nfs/dbraw/zinc/98/89/39/357988939.db2.gz PGNQZHXZLABXEW-MNOVXSKESA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)(O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219250259 357988943 /nfs/dbraw/zinc/98/89/43/357988943.db2.gz PGNQZHXZLABXEW-MNOVXSKESA-N 2 1 212.337 0.974 10 0 BCAEMP CCNC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000168806457 134247170 /nfs/dbraw/zinc/24/71/70/134247170.db2.gz KDQSLAQMJJTMRW-LLVKDONJSA-N 2 1 227.352 0.587 10 0 BCAEMP CCNC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000168806457 134247171 /nfs/dbraw/zinc/24/71/71/134247171.db2.gz KDQSLAQMJJTMRW-LLVKDONJSA-N 2 1 227.352 0.587 10 0 BCAEMP Cc1c(C[NH2+]C[C@H]2CCC[NH2+]C2)cnn1C ZINC000226302248 358337230 /nfs/dbraw/zinc/33/72/30/358337230.db2.gz OQDLYVAEIDQQRF-NSHDSACASA-N 2 1 222.336 0.818 10 0 BCAEMP CN(C)C(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226467196 358340097 /nfs/dbraw/zinc/34/00/97/358340097.db2.gz KYULZQXHWMAPKH-NSHDSACASA-N 2 1 227.352 0.539 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)[NH2+]C ZINC000086188893 358442742 /nfs/dbraw/zinc/44/27/42/358442742.db2.gz YXKVOCIHHPFKTM-MNOVXSKESA-N 2 1 227.352 0.537 10 0 BCAEMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000175447995 134287160 /nfs/dbraw/zinc/28/71/60/134287160.db2.gz BKQVJSOLMVUUIQ-VXGBXAGGSA-N 2 1 239.363 0.633 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000175447995 134287161 /nfs/dbraw/zinc/28/71/61/134287161.db2.gz BKQVJSOLMVUUIQ-VXGBXAGGSA-N 2 1 239.363 0.633 10 0 BCAEMP CCC[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000050393985 358726323 /nfs/dbraw/zinc/72/63/23/358726323.db2.gz VUPSNRKKCSPYBK-GFCCVEGCSA-N 2 1 239.363 0.729 10 0 BCAEMP C[C@H]1C[N@@H+](CCC(C)(C)[NH3+])CC[C@@H]1O ZINC000306187756 359003403 /nfs/dbraw/zinc/00/34/03/359003403.db2.gz FFOQMGUMAJBGSQ-UWVGGRQHSA-N 2 1 200.326 0.817 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886129 359585030 /nfs/dbraw/zinc/58/50/30/359585030.db2.gz LYCVJZGZMNNGCT-IUCAKERBSA-N 2 1 200.282 0.219 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000088032523 359933245 /nfs/dbraw/zinc/93/32/45/359933245.db2.gz ZICKKKQUDXKDHB-QWRGUYRKSA-N 2 1 225.336 0.054 10 0 BCAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000306514879 360338055 /nfs/dbraw/zinc/33/80/55/360338055.db2.gz BKYDNJJMIJQODY-XWLWVQCSSA-N 2 1 200.326 0.957 10 0 BCAEMP C[C@H](C[NH3+])[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000306579875 360472825 /nfs/dbraw/zinc/47/28/25/360472825.db2.gz NIPKBWFJDGOVRC-SECBINFHSA-N 2 1 243.351 0.790 10 0 BCAEMP C[C@H]([NH3+])CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000163733425 361565594 /nfs/dbraw/zinc/56/55/94/361565594.db2.gz MHYGERVDOAWTJG-QJPTWQEYSA-N 2 1 211.353 0.892 10 0 BCAEMP [NH3+]C1CCC(C[NH+]2CCS(=O)CC2)CC1 ZINC000049692998 181341026 /nfs/dbraw/zinc/34/10/26/181341026.db2.gz AEEFDYGVMBIKMH-UHFFFAOYSA-N 2 1 230.377 0.568 10 0 BCAEMP CC[C@@](C)(C[NH2+]C1CC[NH+](CCO)CC1)OC ZINC000399004806 364692215 /nfs/dbraw/zinc/69/22/15/364692215.db2.gz WUFNREWYPYJAEE-ZDUSSCGKSA-N 2 1 244.379 0.848 10 0 BCAEMP [NH3+]CCCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000037038538 181376418 /nfs/dbraw/zinc/37/64/18/181376418.db2.gz CBURWCHZFCUFLY-UHFFFAOYSA-N 2 1 239.363 0.670 10 0 BCAEMP CC[N@H+](CC(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000168804737 365012311 /nfs/dbraw/zinc/01/23/11/365012311.db2.gz JWPUBQHZDIALFK-NSHDSACASA-N 2 1 227.352 0.539 10 0 BCAEMP CC[N@@H+](CC(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000168804737 365012318 /nfs/dbraw/zinc/01/23/18/365012318.db2.gz JWPUBQHZDIALFK-NSHDSACASA-N 2 1 227.352 0.539 10 0 BCAEMP [NH3+]CCN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019933495 181391876 /nfs/dbraw/zinc/39/18/76/181391876.db2.gz NLOHUBFPADBJGO-UHFFFAOYSA-N 2 1 237.322 0.902 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CC[NH+](C)C1 ZINC000383597146 367643037 /nfs/dbraw/zinc/64/30/37/367643037.db2.gz PKFGGVIJVANYKC-STQMWFEESA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000383597146 367643043 /nfs/dbraw/zinc/64/30/43/367643043.db2.gz PKFGGVIJVANYKC-STQMWFEESA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000383597146 367643047 /nfs/dbraw/zinc/64/30/47/367643047.db2.gz PKFGGVIJVANYKC-STQMWFEESA-N 2 1 243.395 0.183 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CC[NH+](C)C1 ZINC000383597144 367643372 /nfs/dbraw/zinc/64/33/72/367643372.db2.gz PKFGGVIJVANYKC-OLZOCXBDSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000383597144 367643378 /nfs/dbraw/zinc/64/33/78/367643378.db2.gz PKFGGVIJVANYKC-OLZOCXBDSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000383597144 367643383 /nfs/dbraw/zinc/64/33/83/367643383.db2.gz PKFGGVIJVANYKC-OLZOCXBDSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778492 /nfs/dbraw/zinc/77/84/92/367778492.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778496 /nfs/dbraw/zinc/77/84/96/367778496.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778499 /nfs/dbraw/zinc/77/84/99/367778499.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778505 /nfs/dbraw/zinc/77/85/05/367778505.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778509 /nfs/dbraw/zinc/77/85/09/367778509.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778513 /nfs/dbraw/zinc/77/85/13/367778513.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000385050230 367778517 /nfs/dbraw/zinc/77/85/17/367778517.db2.gz SLDBBFATGZGYHJ-SRVKXCTJSA-N 2 1 230.352 0.144 10 0 BCAEMP C[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386179590 367926138 /nfs/dbraw/zinc/92/61/38/367926138.db2.gz XXEOGSLNVWVZLA-DCAQKATOSA-N 2 1 200.326 0.878 10 0 BCAEMP C[C@@H]([NH2+]CC[C@H](C)O)[C@H]1CCCC[NH2+]1 ZINC000386179592 367926232 /nfs/dbraw/zinc/92/62/32/367926232.db2.gz XXEOGSLNVWVZLA-HBNTYKKESA-N 2 1 200.326 0.878 10 0 BCAEMP C[C@H](NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492968 367980228 /nfs/dbraw/zinc/98/02/28/367980228.db2.gz URLAFSQEUDZZST-AVGNSLFASA-N 2 1 241.379 0.437 10 0 BCAEMP C[C@H](NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492968 367980234 /nfs/dbraw/zinc/98/02/34/367980234.db2.gz URLAFSQEUDZZST-AVGNSLFASA-N 2 1 241.379 0.437 10 0 BCAEMP C[C@H]1C[N@@H+](CC(C)(C)C[NH3+])CC[C@H]1O ZINC000253208111 368616348 /nfs/dbraw/zinc/61/63/48/368616348.db2.gz YJOPRIAPXSQCIU-VHSXEESVSA-N 2 1 200.326 0.674 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000091543816 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CCN(CC)C(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837416 372618981 /nfs/dbraw/zinc/61/89/81/372618981.db2.gz BFMLDRHXJPSITJ-WDEREUQCSA-N 2 1 227.352 0.381 10 0 BCAEMP Cc1nccnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836843 372624489 /nfs/dbraw/zinc/62/44/89/372624489.db2.gz HWRDZIRAFKDDQG-KOLCDFICSA-N 2 1 220.320 0.812 10 0 BCAEMP Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836843 372624495 /nfs/dbraw/zinc/62/44/95/372624495.db2.gz HWRDZIRAFKDDQG-KOLCDFICSA-N 2 1 220.320 0.812 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000631836778 372624671 /nfs/dbraw/zinc/62/46/71/372624671.db2.gz GQABFKPXGLKIEZ-VWYCJHECSA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838599 372634579 /nfs/dbraw/zinc/63/45/79/372634579.db2.gz QYMTZHKKKOGMDU-ZJUUUORDSA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838599 372634583 /nfs/dbraw/zinc/63/45/83/372634583.db2.gz 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JNSQCBTXWTXYHF-NXEZZACHSA-N 2 1 208.309 0.935 10 0 BCAEMP C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH3+])CC1 ZINC000223277272 386563732 /nfs/dbraw/zinc/56/37/32/386563732.db2.gz QFDFJKMUUCBZGM-MNOVXSKESA-N 2 1 200.326 0.818 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000070578322 387070414 /nfs/dbraw/zinc/07/04/14/387070414.db2.gz ARIPYODQBORHGL-QWRGUYRKSA-N 2 1 239.363 0.714 10 0 BCAEMP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@@H+]1C ZINC000392942949 387302936 /nfs/dbraw/zinc/30/29/36/387302936.db2.gz QRBDWZXZFHWXFC-YFKTTZPYSA-N 2 1 239.363 0.726 10 0 BCAEMP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@H+]1C ZINC000392942949 387302939 /nfs/dbraw/zinc/30/29/39/387302939.db2.gz QRBDWZXZFHWXFC-YFKTTZPYSA-N 2 1 239.363 0.726 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@@H+]1C ZINC000392942948 387303074 /nfs/dbraw/zinc/30/30/74/387303074.db2.gz QRBDWZXZFHWXFC-RHYQMDGZSA-N 2 1 239.363 0.726 10 0 BCAEMP 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132331524 /nfs/dbraw/zinc/33/15/24/132331524.db2.gz VTHVZQHVVFXIBM-UHFFFAOYSA-N 2 1 249.362 0.346 10 0 BCAEMP CC[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)C ZINC000178113114 134306657 /nfs/dbraw/zinc/30/66/57/134306657.db2.gz PLCFMTMREIEXLJ-VXGBXAGGSA-N 2 1 239.363 0.633 10 0 BCAEMP [NH3+]CCOCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000086435579 135084507 /nfs/dbraw/zinc/08/45/07/135084507.db2.gz GSNDAPGFAKSWFQ-VXGBXAGGSA-N 2 1 228.336 0.605 10 0 BCAEMP Cn1nccc1C[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086701666 135094126 /nfs/dbraw/zinc/09/41/26/135094126.db2.gz PDIYSFZBRUKCLL-UHFFFAOYSA-N 2 1 222.336 0.852 10 0 BCAEMP C1CC1[NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261556526 135109012 /nfs/dbraw/zinc/10/90/12/135109012.db2.gz WADYHBJIOSGKEJ-GRYCIOLGSA-N 2 1 210.321 0.896 10 0 BCAEMP C[C@@H]1C[N@@H+](CCC[NH+](C)C)CC[C@H]1O ZINC000253312971 135126098 /nfs/dbraw/zinc/12/60/98/135126098.db2.gz WLPCMIFRGRMPBS-GHMZBOCLSA-N 2 1 200.326 0.641 10 0 BCAEMP OC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 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Cc1ncccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263122465 135333919 /nfs/dbraw/zinc/33/39/19/135333919.db2.gz BAXVIHSFZMBHDC-RYUDHWBXSA-N 2 1 221.304 0.060 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000263216202 135340161 /nfs/dbraw/zinc/34/01/61/135340161.db2.gz KXRXQEKXLPUISP-JQWIXIFHSA-N 2 1 224.279 0.496 10 0 BCAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236826 135341888 /nfs/dbraw/zinc/34/18/88/135341888.db2.gz BSTOAUPPVGYIAG-ONGXEEELSA-N 2 1 225.336 0.004 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000638088099 398070826 /nfs/dbraw/zinc/07/08/26/398070826.db2.gz YUZAZWQQMLVGEJ-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000638088099 398070829 /nfs/dbraw/zinc/07/08/29/398070829.db2.gz YUZAZWQQMLVGEJ-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)[NH2+]CCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438666 167103223 /nfs/dbraw/zinc/10/32/23/167103223.db2.gz IPSADXPWYSSIII-NEPJUHHUSA-N 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KFWXNCUPHYMHPT-CYBMUJFWSA-N 2 1 244.379 0.798 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000070192054 167267833 /nfs/dbraw/zinc/26/78/33/167267833.db2.gz KFWXNCUPHYMHPT-CYBMUJFWSA-N 2 1 244.379 0.798 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000070192054 167267834 /nfs/dbraw/zinc/26/78/34/167267834.db2.gz KFWXNCUPHYMHPT-CYBMUJFWSA-N 2 1 244.379 0.798 10 0 BCAEMP C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000309660276 410974914 /nfs/dbraw/zinc/97/49/14/410974914.db2.gz XPHZKGVPTAPESM-RYUDHWBXSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]CC1 ZINC000309660276 410974922 /nfs/dbraw/zinc/97/49/22/410974922.db2.gz XPHZKGVPTAPESM-RYUDHWBXSA-N 3 1 211.353 0.670 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)C1CCC([NH3+])CC1 ZINC000054133486 411243611 /nfs/dbraw/zinc/24/36/11/411243611.db2.gz FMPLEPWAGZJQFT-UHFFFAOYSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](C)CC1 ZINC000128884608 411293953 /nfs/dbraw/zinc/29/39/53/411293953.db2.gz AJFWRPASANVJJZ-NSHDSACASA-N 2 1 227.352 0.524 10 0 BCAEMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000657352979 411473988 /nfs/dbraw/zinc/47/39/88/411473988.db2.gz XOYQYLLKZCTOGE-QWHCGFSZSA-N 2 1 242.363 0.600 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227804096 170015868 /nfs/dbraw/zinc/01/58/68/170015868.db2.gz DWROMGUYIBHGGD-IJLUTSLNSA-N 2 1 239.363 0.572 10 0 BCAEMP CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@H](C)C1 ZINC000073653870 170019154 /nfs/dbraw/zinc/01/91/54/170019154.db2.gz TYTKITZIXSJELE-NEPJUHHUSA-N 2 1 211.353 0.622 10 0 BCAEMP CCNC(=O)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000020047829 170064137 /nfs/dbraw/zinc/06/41/37/170064137.db2.gz RGWVCZPZAZXCPH-GFCCVEGCSA-N 2 1 241.379 0.977 10 0 BCAEMP CCNC(=O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000020047829 170064138 /nfs/dbraw/zinc/06/41/38/170064138.db2.gz RGWVCZPZAZXCPH-GFCCVEGCSA-N 2 1 241.379 0.977 10 0 BCAEMP CCNC(=O)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020047826 170064221 /nfs/dbraw/zinc/06/42/21/170064221.db2.gz RGWVCZPZAZXCPH-LBPRGKRZSA-N 2 1 241.379 0.977 10 0 BCAEMP CCNC(=O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020047826 170064223 /nfs/dbraw/zinc/06/42/23/170064223.db2.gz RGWVCZPZAZXCPH-LBPRGKRZSA-N 2 1 241.379 0.977 10 0 BCAEMP CCNC(=O)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038045 170073251 /nfs/dbraw/zinc/07/32/51/170073251.db2.gz DVMMFGVCHOQTJX-UHFFFAOYSA-N 2 1 228.340 0.072 10 0 BCAEMP CCNC(=O)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038045 170073252 /nfs/dbraw/zinc/07/32/52/170073252.db2.gz DVMMFGVCHOQTJX-UHFFFAOYSA-N 2 1 228.340 0.072 10 0 BCAEMP CC[NH2+]CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000061295343 170111781 /nfs/dbraw/zinc/11/17/81/170111781.db2.gz UEBOKZSEAWDJAJ-NSHDSACASA-N 2 1 225.336 0.293 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000061227023 170122286 /nfs/dbraw/zinc/12/22/86/170122286.db2.gz SBHCKODPSVPCSR-JTQLQIEISA-N 2 1 213.325 0.006 10 0 BCAEMP CC[NH2+]C[C@]1(C[N@@H+]2CCCOCC2)CCOC1 ZINC000061934523 170123545 /nfs/dbraw/zinc/12/35/45/170123545.db2.gz FOPGTECCZYWDMT-ZDUSSCGKSA-N 2 1 242.363 0.725 10 0 BCAEMP CC[NH2+]C[C@]1(C[N@H+]2CCCOCC2)CCOC1 ZINC000061934523 170123546 /nfs/dbraw/zinc/12/35/46/170123546.db2.gz FOPGTECCZYWDMT-ZDUSSCGKSA-N 2 1 242.363 0.725 10 0 BCAEMP CC[NH2+]Cc1cn(CCn2c[nH+]c(C)c2C)nn1 ZINC000052593568 170129185 /nfs/dbraw/zinc/12/91/85/170129185.db2.gz SZFANHHNWCKZCM-UHFFFAOYSA-N 2 1 248.334 0.901 10 0 BCAEMP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000049648815 170151781 /nfs/dbraw/zinc/15/17/81/170151781.db2.gz OMGHGCVJJREQCS-GHMZBOCLSA-N 2 1 225.336 0.149 10 0 BCAEMP CCN[C@@](C)(CC[N@@H+](C)CC1CCC1)C(N)=O ZINC000061483155 170154822 /nfs/dbraw/zinc/15/48/22/170154822.db2.gz GNWJWPUADIAKLS-ZDUSSCGKSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@@](C)(CC[N@H+](C)CC1CCC1)C(N)=O ZINC000061483155 170154824 /nfs/dbraw/zinc/15/48/24/170154824.db2.gz GNWJWPUADIAKLS-ZDUSSCGKSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@@](C)(CC[N@@H+](C)CC1CCC1)C(N)=O ZINC000061483155 170154825 /nfs/dbraw/zinc/15/48/25/170154825.db2.gz GNWJWPUADIAKLS-ZDUSSCGKSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)C1=O ZINC000049649195 170168320 /nfs/dbraw/zinc/16/83/20/170168320.db2.gz JJPRQPAQEHAEGV-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@](C)(CC[N@H+](C)CC1CCC1)C(N)=O ZINC000061483157 170170603 /nfs/dbraw/zinc/17/06/03/170170603.db2.gz GNWJWPUADIAKLS-CYBMUJFWSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@](C)(CC[N@@H+](C)CC1CCC1)C(N)=O ZINC000061483157 170170604 /nfs/dbraw/zinc/17/06/04/170170604.db2.gz GNWJWPUADIAKLS-CYBMUJFWSA-N 2 1 241.379 0.962 10 0 BCAEMP C[C@@H](C[NH3+])CNc1[nH+]cnc2[nH]ccc21 ZINC000420216875 411816978 /nfs/dbraw/zinc/81/69/78/411816978.db2.gz NGGXTLYJQBFVME-ZETCQYMHSA-N 2 1 205.265 0.965 10 0 BCAEMP CC[C@@H]1CN(C(=O)[C@@H](C)C[NH3+])CC[N@H+]1C ZINC000082483972 171066947 /nfs/dbraw/zinc/06/69/47/171066947.db2.gz NTSKWQWSIMCEIB-VHSXEESVSA-N 2 1 213.325 0.134 10 0 BCAEMP CC[C@@H]1CN(C2(C[NH3+])CCOCC2)CC[N@H+]1C ZINC000104129577 171073311 /nfs/dbraw/zinc/07/33/11/171073311.db2.gz QWXOBRARBJOMKL-GFCCVEGCSA-N 2 1 241.379 0.520 10 0 BCAEMP CC[C@@H]1CN([C@]2(C[NH3+])CCN(C)C2)CC[N@H+]1C ZINC000104132104 171098127 /nfs/dbraw/zinc/09/81/27/171098127.db2.gz XBEFDZCJLZPMNH-OLZOCXBDSA-N 2 1 240.395 0.045 10 0 BCAEMP CC[C@@H]1CN([C@]2(C[NH3+])CC[NH+](C)C2)CC[N@@H+]1C ZINC000104132104 171098129 /nfs/dbraw/zinc/09/81/29/171098129.db2.gz XBEFDZCJLZPMNH-OLZOCXBDSA-N 3 1 240.395 0.045 10 0 BCAEMP CC[C@@H]1CN([C@]2(C[NH3+])CC[NH+](C)C2)CC[N@H+]1C ZINC000104132104 171098132 /nfs/dbraw/zinc/09/81/32/171098132.db2.gz XBEFDZCJLZPMNH-OLZOCXBDSA-N 3 1 240.395 0.045 10 0 BCAEMP CC[C@@H]1CN([C@]2(C[NH3+])CC[N@H+](C)C2)CC[NH+]1C ZINC000104132104 171098133 /nfs/dbraw/zinc/09/81/33/171098133.db2.gz XBEFDZCJLZPMNH-OLZOCXBDSA-N 3 1 240.395 0.045 10 0 BCAEMP CC[C@@H]1CN([C@]2(C[NH3+])CC[N@@H+](C)C2)CC[NH+]1C ZINC000104132104 171098136 /nfs/dbraw/zinc/09/81/36/171098136.db2.gz XBEFDZCJLZPMNH-OLZOCXBDSA-N 3 1 240.395 0.045 10 0 BCAEMP CC[C@H](C)[NH2+]CC(=O)NCC[N@@H+](C)CCOC ZINC000061380724 171339625 /nfs/dbraw/zinc/33/96/25/171339625.db2.gz NFCGFRJFROQDMU-NSHDSACASA-N 2 1 245.367 0.069 10 0 BCAEMP CN(C)c1nc(N[C@@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000394797938 412200953 /nfs/dbraw/zinc/20/09/53/412200953.db2.gz KUNGGCSPFINRNQ-ZETCQYMHSA-N 2 1 245.277 0.937 10 0 BCAEMP CCc1[nH+]ccn1CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000062537340 172025096 /nfs/dbraw/zinc/02/50/96/172025096.db2.gz ONFFHWMPTJAVEW-SNVBAGLBSA-N 2 1 236.319 0.442 10 0 BCAEMP CCc1[nH+]ccn1[C@@H]1COCC[C@@H]1[NH2+]C ZINC000044036623 172029175 /nfs/dbraw/zinc/02/91/75/172029175.db2.gz LCCYDTLZUMRTNY-VHSXEESVSA-N 2 1 209.293 0.995 10 0 BCAEMP CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000037270198 172363745 /nfs/dbraw/zinc/36/37/45/172363745.db2.gz YSNHNZKKJOZWCB-NXEZZACHSA-N 2 1 213.325 0.134 10 0 BCAEMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000037270198 172363748 /nfs/dbraw/zinc/36/37/48/172363748.db2.gz YSNHNZKKJOZWCB-NXEZZACHSA-N 2 1 213.325 0.134 10 0 BCAEMP CN1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000020217782 173013562 /nfs/dbraw/zinc/01/35/62/173013562.db2.gz CFCOKLVPQUKRJR-UHFFFAOYSA-N 2 1 211.353 0.624 10 0 BCAEMP C[N@H+]1CCCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000037478852 173015088 /nfs/dbraw/zinc/01/50/88/173015088.db2.gz IXAMQAAEFQSIFH-GFCCVEGCSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@H+]1CCCN(c2cc(C[NH3+])ccn2)CC1 ZINC000020217470 173017640 /nfs/dbraw/zinc/01/76/40/173017640.db2.gz DNFDFNZMWFIQDE-UHFFFAOYSA-N 2 1 220.320 0.682 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000227696605 173031453 /nfs/dbraw/zinc/03/14/53/173031453.db2.gz CQEXPOQGUFFFPU-DGCLKSJQSA-N 2 1 239.363 0.729 10 0 BCAEMP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245679 173043622 /nfs/dbraw/zinc/04/36/22/173043622.db2.gz BMHQVUAVPLBQJS-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)CC1(C)C ZINC000104143086 173065787 /nfs/dbraw/zinc/06/57/87/173065787.db2.gz PNBVSUZFHSOGCJ-UHFFFAOYSA-N 2 1 239.363 0.539 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055085909 173068393 /nfs/dbraw/zinc/06/83/93/173068393.db2.gz FOUUSIWQWHGEGE-MNOVXSKESA-N 2 1 225.336 0.278 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055085923 173071130 /nfs/dbraw/zinc/07/11/30/173071130.db2.gz LTIWWGADTVOTEV-WDEREUQCSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)O ZINC000304443476 173078031 /nfs/dbraw/zinc/07/80/31/173078031.db2.gz ZGERRKGGZJOPGQ-UHFFFAOYSA-N 2 1 243.395 0.327 10 0 BCAEMP C[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000019397299 173092452 /nfs/dbraw/zinc/09/24/52/173092452.db2.gz MOSFDOZXOZJNTA-OCCSQVGLSA-N 2 1 247.342 0.695 10 0 BCAEMP C[NH+]1CCN([C@@]2(C[NH3+])CCSC2)CC1 ZINC000019435545 173094201 /nfs/dbraw/zinc/09/42/01/173094201.db2.gz SIOKKTXGWGELHH-SNVBAGLBSA-N 2 1 215.366 0.068 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000071189694 173112955 /nfs/dbraw/zinc/11/29/55/173112955.db2.gz HHSXPKCNSLCRPE-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136201401 173114311 /nfs/dbraw/zinc/11/43/11/173114311.db2.gz LRKXVBWEGBOLRX-WCQYABFASA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000037484870 173115846 /nfs/dbraw/zinc/11/58/46/173115846.db2.gz HLVMPVDXMPIUSP-JOYOIKCWSA-N 2 1 225.336 0.182 10 0 BCAEMP CN(CC(C)(C)C)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990720 173135480 /nfs/dbraw/zinc/13/54/80/173135480.db2.gz NSUHYOUHXMIMSS-LBPRGKRZSA-N 2 1 213.369 0.997 10 0 BCAEMP C[N@@H+]1CC[C@](C[NH3+])(N2CCCCCC2)C1 ZINC000061990023 173162800 /nfs/dbraw/zinc/16/28/00/173162800.db2.gz DNLFQNTYXKAJJJ-GFCCVEGCSA-N 2 1 211.353 0.895 10 0 BCAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCCCCC2)C1 ZINC000061990023 173162802 /nfs/dbraw/zinc/16/28/02/173162802.db2.gz DNLFQNTYXKAJJJ-GFCCVEGCSA-N 2 1 211.353 0.895 10 0 BCAEMP CN(C1CCCC1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990179 173163109 /nfs/dbraw/zinc/16/31/09/173163109.db2.gz GTVBZKBSICTFDH-GFCCVEGCSA-N 2 1 211.353 0.894 10 0 BCAEMP CN(C1CCCC1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990179 173163111 /nfs/dbraw/zinc/16/31/11/173163111.db2.gz GTVBZKBSICTFDH-GFCCVEGCSA-N 2 1 211.353 0.894 10 0 BCAEMP CNC(=O)C1CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000042489248 173223397 /nfs/dbraw/zinc/22/33/97/173223397.db2.gz IFBFKMVITOJJLK-MNOVXSKESA-N 2 1 225.336 0.324 10 0 BCAEMP CNC(=O)C1CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042489245 173224726 /nfs/dbraw/zinc/22/47/26/173224726.db2.gz IFBFKMVITOJJLK-WDEREUQCSA-N 2 1 225.336 0.324 10 0 BCAEMP CNC(=O)[C@@H](CC(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000038041423 173296478 /nfs/dbraw/zinc/29/64/78/173296478.db2.gz VNIBVMKZONJRPO-LLVKDONJSA-N 2 1 227.352 0.489 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000052764482 173299106 /nfs/dbraw/zinc/29/91/06/173299106.db2.gz HOIFBHQNVNSILU-RYUDHWBXSA-N 2 1 239.363 0.729 10 0 BCAEMP CNC(=O)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000036803765 173302313 /nfs/dbraw/zinc/30/23/13/173302313.db2.gz MRJYPARXZXQOMG-NEPJUHHUSA-N 2 1 241.379 0.975 10 0 BCAEMP CNC(=O)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000036803765 173302314 /nfs/dbraw/zinc/30/23/14/173302314.db2.gz MRJYPARXZXQOMG-NEPJUHHUSA-N 2 1 241.379 0.975 10 0 BCAEMP CNC(=O)[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000042422741 173305982 /nfs/dbraw/zinc/30/59/82/173305982.db2.gz ZQHPLLROWZYIOS-LLVKDONJSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000042422741 173305983 /nfs/dbraw/zinc/30/59/83/173305983.db2.gz ZQHPLLROWZYIOS-LLVKDONJSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042391764 173307730 /nfs/dbraw/zinc/30/77/30/173307730.db2.gz WGBGXQNEIWZIKW-IJLUTSLNSA-N 2 1 239.363 0.714 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000061317331 173318563 /nfs/dbraw/zinc/31/85/63/173318563.db2.gz HCELXNPMFDPIME-JTQLQIEISA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+]C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000038062671 173322509 /nfs/dbraw/zinc/32/25/09/173322509.db2.gz XTGQGYKKVTVTDG-LLVKDONJSA-N 2 1 214.309 0.086 10 0 BCAEMP C[NH2+]C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000038062672 173322958 /nfs/dbraw/zinc/32/29/58/173322958.db2.gz XTGQGYKKVTVTDG-NSHDSACASA-N 2 1 214.309 0.086 10 0 BCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(C)C ZINC000054629730 173323617 /nfs/dbraw/zinc/32/36/17/173323617.db2.gz GULJEKFHIWFNBN-YEJSDXFRSA-N 2 1 239.363 0.678 10 0 BCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC000054629730 173323619 /nfs/dbraw/zinc/32/36/19/173323619.db2.gz GULJEKFHIWFNBN-YEJSDXFRSA-N 2 1 239.363 0.678 10 0 BCAEMP C[NH2+]CC(=O)NCC[N@@H+](C)C(C)(C)C ZINC000077297145 173329491 /nfs/dbraw/zinc/32/94/91/173329491.db2.gz WIHUGFNIJMCAOG-UHFFFAOYSA-N 2 1 201.314 0.052 10 0 BCAEMP C[NH2+]CC(C)(C)C[N@H+]1CCCOCC1 ZINC000061934584 173335799 /nfs/dbraw/zinc/33/57/99/173335799.db2.gz QPPYQQFAXVRFIZ-UHFFFAOYSA-N 2 1 200.326 0.954 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000019685162 173365049 /nfs/dbraw/zinc/36/50/49/173365049.db2.gz KBLZOJSCSKZPNK-GFCCVEGCSA-N 2 1 208.305 0.699 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019685162 173365050 /nfs/dbraw/zinc/36/50/50/173365050.db2.gz KBLZOJSCSKZPNK-GFCCVEGCSA-N 2 1 208.305 0.699 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC000052377918 173371538 /nfs/dbraw/zinc/37/15/38/173371538.db2.gz ATRRECAGFPPINA-QWRGUYRKSA-N 2 1 214.309 0.086 10 0 BCAEMP C[NH2+]C[C@@]1(C[N@H+]2CCCOCC2)CCOC1 ZINC000061934522 173373186 /nfs/dbraw/zinc/37/31/86/173373186.db2.gz XIRURFLZZJJNFR-GFCCVEGCSA-N 2 1 228.336 0.335 10 0 BCAEMP C[NH2+]C[C@@]1(C[N@H+]2CCC[C@H](O)C2)CCOC1 ZINC000051257187 173373297 /nfs/dbraw/zinc/37/32/97/173373297.db2.gz CNKDZARULUTBBJ-NWDGAFQWSA-N 2 1 228.336 0.069 10 0 BCAEMP C[NH2+]C[C@@]1(C[N@@H+](C)CCCOC)CCCOC1 ZINC000104321404 173373304 /nfs/dbraw/zinc/37/33/04/173373304.db2.gz WURNIYGWVDMXPT-CYBMUJFWSA-N 2 1 244.379 0.971 10 0 BCAEMP C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000019685163 173375922 /nfs/dbraw/zinc/37/59/22/173375922.db2.gz KBLZOJSCSKZPNK-LBPRGKRZSA-N 2 1 208.305 0.699 10 0 BCAEMP C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019685163 173375923 /nfs/dbraw/zinc/37/59/23/173375923.db2.gz KBLZOJSCSKZPNK-LBPRGKRZSA-N 2 1 208.305 0.699 10 0 BCAEMP C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000019685161 173376478 /nfs/dbraw/zinc/37/64/78/173376478.db2.gz GUBIEJAOPUWHFA-ZDUSSCGKSA-N 2 1 220.316 0.625 10 0 BCAEMP C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000019685161 173376480 /nfs/dbraw/zinc/37/64/80/173376480.db2.gz GUBIEJAOPUWHFA-ZDUSSCGKSA-N 2 1 220.316 0.625 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@H](Cn2cc[nH+]c2C)O1 ZINC000052576177 173382706 /nfs/dbraw/zinc/38/27/06/173382706.db2.gz PRPKSSOFHFBZNH-GHMZBOCLSA-N 2 1 209.293 0.959 10 0 BCAEMP C[NH2+]Cc1cn(CC[N@@H+](C)[C@H](C)C2CC2)nn1 ZINC000052479159 173391385 /nfs/dbraw/zinc/39/13/85/173391385.db2.gz IOXGHKQDTNAIDL-SNVBAGLBSA-N 2 1 237.351 0.728 10 0 BCAEMP COCCCNC(=O)C[N@H+](CCC[NH3+])C(C)C ZINC000049282681 174237808 /nfs/dbraw/zinc/23/78/08/174237808.db2.gz FKNVHSNHAJKMJM-UHFFFAOYSA-N 2 1 245.367 0.198 10 0 BCAEMP COCCCNC(=O)C[N@@H+](CCC[NH3+])C(C)C ZINC000049282681 174237809 /nfs/dbraw/zinc/23/78/09/174237809.db2.gz FKNVHSNHAJKMJM-UHFFFAOYSA-N 2 1 245.367 0.198 10 0 BCAEMP COCCC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104140341 174247150 /nfs/dbraw/zinc/24/71/50/174247150.db2.gz KCFZHAUHROVIPZ-UHFFFAOYSA-N 2 1 243.395 0.639 10 0 BCAEMP COCC[N@H+](C)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000051258877 174279235 /nfs/dbraw/zinc/27/92/35/174279235.db2.gz GMRMATPHOJNFFV-ZDUSSCGKSA-N 2 1 242.363 0.723 10 0 BCAEMP COCC[N@@H+](C)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000051258877 174279236 /nfs/dbraw/zinc/27/92/36/174279236.db2.gz GMRMATPHOJNFFV-ZDUSSCGKSA-N 2 1 242.363 0.723 10 0 BCAEMP COCC[NH2+]CCCC[N@H+]1CC[C@H](N(C)C)C1 ZINC000062974044 174332450 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488211987 /nfs/dbraw/zinc/21/19/87/488211987.db2.gz SQOQTQYJWNYYLK-SNVBAGLBSA-N 2 1 225.336 0.468 10 0 BCAEMP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309131199 491145408 /nfs/dbraw/zinc/14/54/08/491145408.db2.gz RAKKRBWORDSUIM-WDEREUQCSA-N 2 1 212.337 0.689 10 0 BCAEMP CC(C)CN(C)c1noc([C@@H]([NH3+])CCC[NH3+])n1 ZINC000757126908 582501604 /nfs/dbraw/zinc/50/16/04/582501604.db2.gz WQICUIVHEWCFKG-VIFPVBQESA-N 2 1 241.339 0.901 10 0 BCAEMP C[C@@H](CC(C)(C)C[NH3+])[N@H+]1CC[C@@H]1C(N)=O ZINC000757143731 582524283 /nfs/dbraw/zinc/52/42/83/582524283.db2.gz HOOJWKBQVVOYAM-DTWKUNHWSA-N 2 1 213.325 0.310 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219842467 535534114 /nfs/dbraw/zinc/53/41/14/535534114.db2.gz CVTXZLYHMCHHKH-YPMHNXCESA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261544762 536374267 /nfs/dbraw/zinc/37/42/67/536374267.db2.gz ZSVCAHBWXVUQEP-QJPTWQEYSA-N 2 1 239.363 0.714 10 0 BCAEMP Cc1[nH+]ccn1CCC[C@@](C)([NH3+])C(N)=O ZINC000045432566 582879297 /nfs/dbraw/zinc/87/92/97/582879297.db2.gz DYXXDFVLHPUHJL-SNVBAGLBSA-N 2 1 210.281 0.174 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000261539943 536375984 /nfs/dbraw/zinc/37/59/84/536375984.db2.gz CQEXPOQGUFFFPU-YPMHNXCESA-N 2 1 239.363 0.729 10 0 BCAEMP NC(=O)[C@H]1CC[N@H+]1CCC[C@@H]1CCC[NH2+]1 ZINC000757140887 582521701 /nfs/dbraw/zinc/52/17/01/582521701.db2.gz BPUXWACFOACMQK-VHSXEESVSA-N 2 1 211.309 0.078 10 0 BCAEMP CC[NH+]1CCC2(CC1)[NH2+][C@@H](COC)CCO2 ZINC000757144753 582525377 /nfs/dbraw/zinc/52/53/77/582525377.db2.gz GPUYKBPCKJKDQL-LLVKDONJSA-N 2 1 228.336 0.823 10 0 BCAEMP COC[C@H]1CCO[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146253 582529842 /nfs/dbraw/zinc/52/98/42/582529842.db2.gz JVLRKECTNZYZBX-VXGBXAGGSA-N 2 1 228.336 0.823 10 0 BCAEMP COC[C@H]1CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146253 582529844 /nfs/dbraw/zinc/52/98/44/582529844.db2.gz JVLRKECTNZYZBX-VXGBXAGGSA-N 2 1 228.336 0.823 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CCN1CC[C@H]1C[NH3+] ZINC000757146481 582530594 /nfs/dbraw/zinc/53/05/94/582530594.db2.gz RDPVMKHJJGEGON-RYUDHWBXSA-N 2 1 211.353 0.894 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)cc1 ZINC000757220284 582563286 /nfs/dbraw/zinc/56/32/86/582563286.db2.gz XZHPBLQZYZOGHP-NEPJUHHUSA-N 3 1 205.305 0.897 10 0 BCAEMP CCc1cc(N2CC[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000757144204 586428403 /nfs/dbraw/zinc/42/84/03/586428403.db2.gz IVZDAJPWQKJAHD-JTQLQIEISA-N 2 1 206.293 0.885 10 0 BCAEMP C[N@@H+]1CC[C@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757184013 586434069 /nfs/dbraw/zinc/43/40/69/586434069.db2.gz GVTSZJWNMQXYAH-GWCFXTLKSA-N 2 1 240.347 0.869 10 0 BCAEMP C[N@H+]1CC[C@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757184013 586434070 /nfs/dbraw/zinc/43/40/70/586434070.db2.gz GVTSZJWNMQXYAH-GWCFXTLKSA-N 2 1 240.347 0.869 10 0 BCAEMP [NH3+]Cc1ccc([C@H]2CC[NH2+][C@@H](C[NH3+])C2)cc1 ZINC000757211617 586438883 /nfs/dbraw/zinc/43/88/83/586438883.db2.gz HUPGIBUWWYNJKG-QWHCGFSZSA-N 3 1 219.332 0.940 10 0 BCAEMP N[C@H]1CCC[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757216541 586441238 /nfs/dbraw/zinc/44/12/38/586441238.db2.gz QGNAMZHSMPCNPH-NWDGAFQWSA-N 2 1 205.305 0.897 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2[NH2+]CC[C@@H](C)[C@@H]2N)CC[NH2+]1 ZINC000757231119 586443072 /nfs/dbraw/zinc/44/30/72/586443072.db2.gz GMGCMCIHFSDBFI-JCIQBVFBSA-N 2 1 211.353 0.700 10 0 BCAEMP CCCNC(=[NH2+])NC[C@H]1C[N@H+](CC)CCO1 ZINC000129530653 591321616 /nfs/dbraw/zinc/32/16/16/591321616.db2.gz JFZJQLLVLVNCIW-JTQLQIEISA-N 2 1 228.340 0.231 10 0 BCAEMP CCCNC(=[NH2+])NC[C@H]1C[N@@H+](CC)CCO1 ZINC000129530653 591321619 /nfs/dbraw/zinc/32/16/19/591321619.db2.gz JFZJQLLVLVNCIW-JTQLQIEISA-N 2 1 228.340 0.231 10 0 BCAEMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000137322122 592172624 /nfs/dbraw/zinc/17/26/24/592172624.db2.gz IODGXFXCZPGIAE-NEPJUHHUSA-N 2 1 237.347 0.420 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000221880166 592454797 /nfs/dbraw/zinc/45/47/97/592454797.db2.gz KRKJBCWWLCFPIM-SECBINFHSA-N 2 1 212.341 0.993 10 0 BCAEMP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000227433033 634541784 /nfs/dbraw/zinc/54/17/84/634541784.db2.gz DAQADASJTLAFNZ-ZWNOBZJWSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000044651163 631819157 /nfs/dbraw/zinc/81/91/57/631819157.db2.gz WYTYNXCUTDQCJA-SNVBAGLBSA-N 2 1 213.325 0.196 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310375213 635764601 /nfs/dbraw/zinc/76/46/01/635764601.db2.gz ZLUFMNGAYBAYOT-YNEHKIRRSA-N 2 1 242.363 0.456 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000310375213 635764609 /nfs/dbraw/zinc/76/46/09/635764609.db2.gz ZLUFMNGAYBAYOT-YNEHKIRRSA-N 2 1 242.363 0.456 10 0 BCAEMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000086471381 632650213 /nfs/dbraw/zinc/65/02/13/632650213.db2.gz BZJCDDQCDJVIIA-UWVGGRQHSA-N 2 1 235.335 0.729 10 0 BCAEMP Cc1[nH+]cn(C[C@@H]([NH2+]C(C)C)C(N)=O)c1C ZINC000051928178 632765117 /nfs/dbraw/zinc/76/51/17/632765117.db2.gz SPBYEUNLDRRFHA-SNVBAGLBSA-N 2 1 224.308 0.352 10 0 BCAEMP Cc1[nH+]cn(C[C@@H]([NH2+]C2CC2)C(N)=O)c1C ZINC000051928300 632766230 /nfs/dbraw/zinc/76/62/30/632766230.db2.gz SBZATHLPUJZNFC-SNVBAGLBSA-N 2 1 222.292 0.106 10 0 BCAEMP C[C@H]1C[N@@H+](CCCCCCO)C[C@@H]1[NH3+] ZINC000235591232 632792777 /nfs/dbraw/zinc/79/27/77/632792777.db2.gz NFXFYBCZYJKODP-QWRGUYRKSA-N 2 1 200.326 0.818 10 0 BCAEMP CN(C[C@H]([NH3+])CC(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000309171356 633853673 /nfs/dbraw/zinc/85/36/73/633853673.db2.gz AKRFQCXJACHWTJ-VHSXEESVSA-N 2 1 235.322 0.852 10 0 BCAEMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309324030 633896707 /nfs/dbraw/zinc/89/67/07/633896707.db2.gz HQBLLLCPNMVHSQ-WHOHXGKFSA-N 2 1 228.336 0.053 10 0 BCAEMP C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000237405639 636764520 /nfs/dbraw/zinc/76/45/20/636764520.db2.gz DFSKYIZCDRDGMB-RYUDHWBXSA-N 2 1 249.358 0.970 10 0 BCAEMP CCC[NH2+][C@](C)(Cn1cc[nH+]c1C)C(N)=O ZINC000045433009 640557119 /nfs/dbraw/zinc/55/71/19/640557119.db2.gz DHPGNWOWWSIBDG-LLVKDONJSA-N 2 1 224.308 0.435 10 0 BCAEMP CCc1[nH+]ccn1C[C@@H]([NH2+]C(C)C)C(N)=O ZINC000045460514 640567848 /nfs/dbraw/zinc/56/78/48/640567848.db2.gz SMMCQHIRBOHKHK-SECBINFHSA-N 2 1 224.308 0.297 10 0 BCAEMP CCOC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226467106 640767288 /nfs/dbraw/zinc/76/72/88/640767288.db2.gz WDDKOBYVBXNXCR-VXGBXAGGSA-N 2 1 230.352 0.458 10 0 BCAEMP COC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168807879 640828794 /nfs/dbraw/zinc/82/87/94/640828794.db2.gz QBYRXJNONYNHRI-MNOVXSKESA-N 2 1 216.325 0.068 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000227910276 640853416 /nfs/dbraw/zinc/85/34/16/640853416.db2.gz QLYKXDKJWNODFZ-NWDGAFQWSA-N 2 1 230.352 0.445 10 0 BCAEMP CC(C)[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000087647819 640955570 /nfs/dbraw/zinc/95/55/70/640955570.db2.gz DDXSDMAPUFLXEG-NSHDSACASA-N 2 1 200.326 0.689 10 0 BCAEMP CC(C)[N@@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000087647817 640955589 /nfs/dbraw/zinc/95/55/89/640955589.db2.gz DDXSDMAPUFLXEG-LLVKDONJSA-N 2 1 200.326 0.689 10 0 BCAEMP COC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121084 641135557 /nfs/dbraw/zinc/13/55/57/641135557.db2.gz YRSCFKYBFXVGQX-JTQLQIEISA-N 2 1 228.336 0.822 10 0 BCAEMP COC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121084 641135558 /nfs/dbraw/zinc/13/55/58/641135558.db2.gz YRSCFKYBFXVGQX-JTQLQIEISA-N 2 1 228.336 0.822 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)COC(C)C)C1 ZINC000069660993 642893090 /nfs/dbraw/zinc/89/30/90/642893090.db2.gz VKNLBHBHKWFSAP-NEPJUHHUSA-N 2 1 230.352 0.314 10 0 BCAEMP CC(C)(C[NH3+])CCC[N@H+]1CC[C@@H]1C(N)=O ZINC000757141939 643304129 /nfs/dbraw/zinc/30/41/29/643304129.db2.gz FADLYQQJDOWXKS-SECBINFHSA-N 2 1 213.325 0.311 10 0 BCAEMP CN(C)c1nc(N2CC[C@@H]2C[NH3+])cc[nH+]1 ZINC000757154557 643346225 /nfs/dbraw/zinc/34/62/25/643346225.db2.gz ZDWITDJRLSDZBE-MRVPVSSYSA-N 2 1 207.281 0.080 10 0 BCAEMP CCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800565 643383038 /nfs/dbraw/zinc/38/30/38/643383038.db2.gz QLQCGWJPLUNQGY-GZMMTYOYSA-N 2 1 224.308 0.599 10 0 BCAEMP CCCc1[nH+]ccn1C[C@](C)([NH2+]C)C(N)=O ZINC000069964568 643451444 /nfs/dbraw/zinc/45/14/44/643451444.db2.gz ZKTOTVDURFMAES-NSHDSACASA-N 2 1 224.308 0.299 10 0 BCAEMP CN(C)[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085015824 643523415 /nfs/dbraw/zinc/52/34/15/643523415.db2.gz JDSVAAZMQCQXOP-WOPDTQHZSA-N 2 1 211.353 0.750 10 0 BCAEMP CN(C)[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085015819 643679003 /nfs/dbraw/zinc/67/90/03/643679003.db2.gz JDSVAAZMQCQXOP-GRYCIOLGSA-N 2 1 211.353 0.750 10 0 BCAEMP C1C[C@@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[NH2+]1 ZINC000086727133 644468421 /nfs/dbraw/zinc/46/84/21/644468421.db2.gz IDMJAKVRAXMECI-WOPDTQHZSA-N 2 1 209.337 0.565 10 0 BCAEMP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000086725094 644469327 /nfs/dbraw/zinc/46/93/27/644469327.db2.gz VJDYEUTXNJSGBE-GHMZBOCLSA-N 2 1 223.320 0.834 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932968 644473151 /nfs/dbraw/zinc/47/31/51/644473151.db2.gz JSYGSEJKDQCXGN-FRRDWIJNSA-N 2 1 223.364 0.622 10 0 BCAEMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000089744721 644563795 /nfs/dbraw/zinc/56/37/95/644563795.db2.gz DDRSYEMVGYEYBQ-RYUDHWBXSA-N 2 1 237.347 0.293 10 0 BCAEMP CC[NH2+]CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000250773044 644779640 /nfs/dbraw/zinc/77/96/40/644779640.db2.gz ZQUOPYHAHBUQME-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1N(C)C ZINC000251713738 644817870 /nfs/dbraw/zinc/81/78/70/644817870.db2.gz JNWWTBULWSJRBE-UPJWGTAASA-N 2 1 225.380 0.868 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@H](O)COC(C)C)CC[C@H]1[NH3+] ZINC000251871108 644828746 /nfs/dbraw/zinc/82/87/46/644828746.db2.gz UKAQCLDKTFYUAO-FRRDWIJNSA-N 2 1 244.379 0.832 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713912 711535307 /nfs/dbraw/zinc/53/53/07/711535307.db2.gz XJNBYYOEKSHZMC-QWHCGFSZSA-N 2 1 244.379 0.835 10 0 BCAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723713914 711535765 /nfs/dbraw/zinc/53/57/65/711535765.db2.gz XJNBYYOEKSHZMC-STQMWFEESA-N 2 1 244.379 0.835 10 0 BCAEMP CO[C@H]1C[N@@H+](CCCCCCO)[C@](C)(C[NH3+])C1 ZINC000708963927 712204260 /nfs/dbraw/zinc/20/42/60/712204260.db2.gz LGKQZAZUIMWSGW-OLZOCXBDSA-N 2 1 244.379 0.977 10 0 BCAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCO1)C2 ZINC000709820192 712228134 /nfs/dbraw/zinc/22/81/34/712228134.db2.gz BCYVIVRWWAZKRA-USZNOCQGSA-N 2 1 210.321 0.977 10 0 BCAEMP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000721952823 710693503 /nfs/dbraw/zinc/69/35/03/710693503.db2.gz BNLAFXQTYIJWBM-QNWHQSFQSA-N 2 1 242.363 0.850 10 0 BCAEMP C[C@@H]1C[N@@H+](CCO[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724945011 711744752 /nfs/dbraw/zinc/74/47/52/711744752.db2.gz WAAMRCVWVFTJON-GRYCIOLGSA-N 2 1 228.336 0.319 10 0 BCAEMP OCc1c[nH+]ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000126540890 711768679 /nfs/dbraw/zinc/76/86/79/711768679.db2.gz DVJYZDAHQUDGSO-GFCCVEGCSA-N 2 1 233.315 0.858 10 0 BCAEMP CO[C@@H]1C[N@@H+](CCCCCCO)[C@@](C)(C[NH3+])C1 ZINC000708963928 712204732 /nfs/dbraw/zinc/20/47/32/712204732.db2.gz LGKQZAZUIMWSGW-QWHCGFSZSA-N 2 1 244.379 0.977 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709017029 712205812 /nfs/dbraw/zinc/20/58/12/712205812.db2.gz VBBMVPWUEXTGQZ-OLZOCXBDSA-N 2 1 244.379 0.976 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709017029 712205814 /nfs/dbraw/zinc/20/58/14/712205814.db2.gz VBBMVPWUEXTGQZ-OLZOCXBDSA-N 2 1 244.379 0.976 10 0 BCAEMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000709782068 712226599 /nfs/dbraw/zinc/22/65/99/712226599.db2.gz CCVBMOLDCLLWCE-WXHSDQCUSA-N 2 1 224.348 0.974 10 0 BCAEMP OCC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000379565508 712388193 /nfs/dbraw/zinc/38/81/93/712388193.db2.gz GADSBJBXRYINGG-OLZOCXBDSA-N 2 1 242.363 0.147 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720609775 712858377 /nfs/dbraw/zinc/85/83/77/712858377.db2.gz AYTWDCNINUTMEX-RWMBFGLXSA-N 2 1 242.363 0.314 10 0 BCAEMP CC1(C)CN(c2cc[nH+]cc2C(N)=O)C[C@@H]1[NH3+] ZINC000720754504 712863632 /nfs/dbraw/zinc/86/36/32/712863632.db2.gz DPJZPQDTJHGOMV-JTQLQIEISA-N 2 1 234.303 0.354 10 0 BCAEMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885182 712874328 /nfs/dbraw/zinc/87/43/28/712874328.db2.gz CWUDJIJBNBSRPB-QJPTWQEYSA-N 2 1 237.347 0.291 10 0 BCAEMP CCC(CC)[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000036789147 168369719 /nfs/dbraw/zinc/36/97/19/168369719.db2.gz WZTLTWXIWGDEGJ-NSHDSACASA-N 2 1 241.379 0.927 10 0 BCAEMP CCC(CC)[N@@H+](CCO)C[C@@]1(C[NH3+])CCOC1 ZINC000051256255 168374514 /nfs/dbraw/zinc/37/45/14/168374514.db2.gz ITNGBNNAMGPZND-ZDUSSCGKSA-N 2 1 244.379 0.835 10 0 BCAEMP CC(C)(N)C[N@H+]1CCCC[C@H](CO)C1 ZINC000306656709 361866230 /nfs/dbraw/zinc/86/62/30/361866230.db2.gz HGSCMMCCKYCUAS-JTQLQIEISA-N 2 1 200.326 0.818 10 0 BCAEMP CC(C)([NH3+])CN1CCCC[C@H](CO)C1 ZINC000306656709 361866235 /nfs/dbraw/zinc/86/62/35/361866235.db2.gz HGSCMMCCKYCUAS-JTQLQIEISA-N 2 1 200.326 0.818 10 0 BCAEMP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000231844313 342739996 /nfs/dbraw/zinc/73/99/96/342739996.db2.gz MQBFTKSGBZSCDA-WDEREUQCSA-N 2 1 227.352 0.442 10 0 BCAEMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ncc[nH]2)C1 ZINC000380340405 538989154 /nfs/dbraw/zinc/98/91/54/538989154.db2.gz RKMLTQGYMIXLPF-ZJUUUORDSA-N 2 1 208.309 0.840 10 0 BCAEMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ncc[nH]2)C1 ZINC000380340402 538989189 /nfs/dbraw/zinc/98/91/89/538989189.db2.gz RKMLTQGYMIXLPF-NXEZZACHSA-N 2 1 208.309 0.840 10 0 BCAEMP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000167334785 136245489 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ZINC000073653251 187261044 /nfs/dbraw/zinc/26/10/44/187261044.db2.gz NZWQLATWXXNKJE-LBPRGKRZSA-N 2 1 209.337 0.518 10 0 BCAEMP CC[NH+]1CCC(C[NH+]2CCNCC2)CC1 ZINC000044518837 343505937 /nfs/dbraw/zinc/50/59/37/343505937.db2.gz KCRONNMXQJLBSC-UHFFFAOYSA-N 2 1 211.353 0.624 10 0 BCAEMP CC(C)(C)[C@H](C[NH3+])[N@@H+]1CCC[C@H](O)C1 ZINC000043292638 187267510 /nfs/dbraw/zinc/26/75/10/187267510.db2.gz SFFQEUQDEDCSDU-UWVGGRQHSA-N 2 1 200.326 0.817 10 0 BCAEMP CC(C)(C)[C@H](C[NH3+])[N@H+]1CCC[C@H](O)C1 ZINC000043292638 187267512 /nfs/dbraw/zinc/26/75/12/187267512.db2.gz SFFQEUQDEDCSDU-UWVGGRQHSA-N 2 1 200.326 0.817 10 0 BCAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178789 537799009 /nfs/dbraw/zinc/79/90/09/537799009.db2.gz JOJJYDGFPAEKIY-NEPJUHHUSA-N 2 1 241.379 0.818 10 0 BCAEMP COC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000379800920 343629152 /nfs/dbraw/zinc/62/91/52/343629152.db2.gz MEHMSFDINSWKKK-VHSXEESVSA-N 2 1 212.293 0.233 10 0 BCAEMP 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IHNXAIDRLIKQQV-XVKPBYJWSA-N 2 1 210.281 0.345 10 0 BCAEMP CC(C)[C@@H]1[NH2+]CC[C@H]1c1nc(C[NH3+])no1 ZINC000381561699 346354085 /nfs/dbraw/zinc/35/40/85/346354085.db2.gz QNKORTJXPNSXCF-APPZFPTMSA-N 2 1 210.281 0.630 10 0 BCAEMP C[C@@H]1CN([C@H]2C[C@H]3CCCC[N@H+]3C2)CC[NH2+]1 ZINC000725241732 537980984 /nfs/dbraw/zinc/98/09/84/537980984.db2.gz NZYDPYRLCPMSMG-UPJWGTAASA-N 2 1 223.364 0.907 10 0 BCAEMP C[C@@H]1CN([C@@H]2C[C@H]3CCCC[N@H+]3C2)CC[NH2+]1 ZINC000725241731 537982294 /nfs/dbraw/zinc/98/22/94/537982294.db2.gz NZYDPYRLCPMSMG-JHJVBQTASA-N 2 1 223.364 0.907 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1([NH3+])CCC1 ZINC000148426070 346502042 /nfs/dbraw/zinc/50/20/42/346502042.db2.gz IPPBSJBGVUBEJX-LLVKDONJSA-N 2 1 239.363 0.811 10 0 BCAEMP C[NH2+][C@H]1CC2(CC[C@@H]1[NH+]1CCCC1)OCCO2 ZINC000039384610 347189935 /nfs/dbraw/zinc/18/99/35/347189935.db2.gz CJOPXXHFNXHMCB-RYUDHWBXSA-N 2 1 240.347 0.966 10 0 BCAEMP COC(=O)CCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326453 347209342 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10 0 BCAEMP [NH3+]CCN1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616600235 350779387 /nfs/dbraw/zinc/77/93/87/350779387.db2.gz AQTJVEHCQGKGCD-SNVBAGLBSA-N 3 1 208.309 0.938 10 0 BCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(N)=[NH2+] ZINC000306736792 350908049 /nfs/dbraw/zinc/90/80/49/350908049.db2.gz QSAUBGKUNZVWHA-PWSUYJOCSA-N 2 1 232.331 0.990 10 0 BCAEMP C[NH+]1CCN(Cc2cccc(NN)[nH+]2)CC1 ZINC000086116362 350946093 /nfs/dbraw/zinc/94/60/93/350946093.db2.gz YYOBXSCYCHHHFM-UHFFFAOYSA-N 2 1 221.308 0.115 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000638114958 351990474 /nfs/dbraw/zinc/99/04/74/351990474.db2.gz DDRQVJVRWGUTTP-IJLUTSLNSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@]1([NH3+])CC=C([C@H]2CC[NH2+]C[C@H]2N)CC1 ZINC000725271798 538103632 /nfs/dbraw/zinc/10/36/32/538103632.db2.gz CNJIOUGTFNTGMZ-UTUOFQBUSA-N 2 1 209.337 0.751 10 0 BCAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)CC1CC1 ZINC000725273208 538104349 /nfs/dbraw/zinc/10/43/49/538104349.db2.gz XJHKEBMIVQADNB-UHFFFAOYSA-N 2 1 209.293 0.637 10 0 BCAEMP CC(C)(C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439475 188049492 /nfs/dbraw/zinc/04/94/92/188049492.db2.gz ZEMUONDRJHTEBP-LLVKDONJSA-N 2 1 239.363 0.668 10 0 BCAEMP CC(C)(C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000094439475 188049494 /nfs/dbraw/zinc/04/94/94/188049494.db2.gz ZEMUONDRJHTEBP-LLVKDONJSA-N 2 1 239.363 0.668 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CCC1 ZINC000251770787 353287982 /nfs/dbraw/zinc/28/79/82/353287982.db2.gz MKDZYPXIWPSGCL-QWRGUYRKSA-N 2 1 237.347 0.563 10 0 BCAEMP C1C[C@@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C[NH2+]1 ZINC000250828366 188258991 /nfs/dbraw/zinc/25/89/91/188258991.db2.gz IDMJAKVRAXMECI-GRYCIOLGSA-N 2 1 209.337 0.565 10 0 BCAEMP CC[C@H](CC[NH3+])[N@@H+]1CCCN(C(C)=O)CC1 ZINC000037039019 188286386 /nfs/dbraw/zinc/28/63/86/188286386.db2.gz RSZZKLVRPKAUSQ-GFCCVEGCSA-N 2 1 227.352 0.668 10 0 BCAEMP CC[C@H](CC[NH3+])[N@H+]1CCCN(C(C)=O)CC1 ZINC000037039019 188286387 /nfs/dbraw/zinc/28/63/87/188286387.db2.gz RSZZKLVRPKAUSQ-GFCCVEGCSA-N 2 1 227.352 0.668 10 0 BCAEMP CC(=O)N1CC[NH+]([C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000037157990 188286799 /nfs/dbraw/zinc/28/67/99/188286799.db2.gz YRSOMLGNEYIVPJ-OLZOCXBDSA-N 2 1 239.363 0.668 10 0 BCAEMP C[N@@H+](CC1CC1)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037925409 188289548 /nfs/dbraw/zinc/28/95/48/188289548.db2.gz FIRNPBITMSJFAQ-RYUDHWBXSA-N 2 1 240.347 0.951 10 0 BCAEMP C1C[C@H]2[C@@H](N3CCC[NH2+]CC3)CC[N@H+]2C1 ZINC000049660653 188327483 /nfs/dbraw/zinc/32/74/83/188327483.db2.gz HQRVKLKLRCCHBF-RYUDHWBXSA-N 2 1 209.337 0.518 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000220128585 353822276 /nfs/dbraw/zinc/82/22/76/353822276.db2.gz UDKFKCSUWBDQCZ-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000220128514 353822596 /nfs/dbraw/zinc/82/25/96/353822596.db2.gz UDKFKCSUWBDQCZ-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000250386541 363278068 /nfs/dbraw/zinc/27/80/68/363278068.db2.gz XQSFFKOTJFIFNF-NXEZZACHSA-N 2 1 213.325 0.182 10 0 BCAEMP CO[C@@H]1C[C@@H](CO)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000344726031 354345262 /nfs/dbraw/zinc/34/52/62/354345262.db2.gz STULMSJARSNFJO-FRRDWIJNSA-N 2 1 242.363 0.552 10 0 BCAEMP CO[C@@H]1C[C@@H](CO)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000344726031 354345265 /nfs/dbraw/zinc/34/52/65/354345265.db2.gz STULMSJARSNFJO-FRRDWIJNSA-N 2 1 242.363 0.552 10 0 BCAEMP CO[C@@H]1C[C@@H](CO)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000344726035 354345567 /nfs/dbraw/zinc/34/55/67/354345567.db2.gz STULMSJARSNFJO-RWMBFGLXSA-N 2 1 242.363 0.552 10 0 BCAEMP CO[C@@H]1C[C@@H](CO)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000344726035 354345570 /nfs/dbraw/zinc/34/55/70/354345570.db2.gz STULMSJARSNFJO-RWMBFGLXSA-N 2 1 242.363 0.552 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397298995 491075978 /nfs/dbraw/zinc/07/59/78/491075978.db2.gz CNOQDEPHGJGAKT-VWYCJHECSA-N 2 1 228.336 0.855 10 0 BCAEMP NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360133 181222180 /nfs/dbraw/zinc/22/21/80/181222180.db2.gz OMDUHKJXQWONHA-VHSXEESVSA-N 2 1 211.309 0.078 10 0 BCAEMP NC(=O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360133 181222184 /nfs/dbraw/zinc/22/21/84/181222184.db2.gz OMDUHKJXQWONHA-VHSXEESVSA-N 2 1 211.309 0.078 10 0 BCAEMP CC[N@@H+](C[C@H]1OC(=O)CC12C[NH2+]C2)C(C)C ZINC000675075719 538509497 /nfs/dbraw/zinc/50/94/97/538509497.db2.gz UNVJQYMPQFRCCU-SNVBAGLBSA-N 2 1 226.320 0.622 10 0 BCAEMP [NH3+][C@H]1C=C(CCc2ccns2)C[NH2+]C1 ZINC000675077654 538513987 /nfs/dbraw/zinc/51/39/87/538513987.db2.gz GXFCZAHAPUIABB-VIFPVBQESA-N 2 1 209.318 0.933 10 0 BCAEMP [NH3+]C1CC[NH+](CCNC(=O)CC2CC2)CC1 ZINC000321269833 538868313 /nfs/dbraw/zinc/86/83/13/538868313.db2.gz FXQBKDQGJHNHDF-UHFFFAOYSA-N 2 1 225.336 0.326 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCOC[C@@H]1C ZINC000685951433 538895312 /nfs/dbraw/zinc/89/53/12/538895312.db2.gz UHFROZQLOFAVNB-WHOHXGKFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCOC[C@@H]1C ZINC000685951433 538895313 /nfs/dbraw/zinc/89/53/13/538895313.db2.gz UHFROZQLOFAVNB-WHOHXGKFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@@H+]1CCn1ccnc1 ZINC000189345780 357633355 /nfs/dbraw/zinc/63/33/55/357633355.db2.gz BRBSGNMXRNUUJT-SNVBAGLBSA-N 2 1 222.292 0.094 10 0 BCAEMP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000191818011 357799328 /nfs/dbraw/zinc/79/93/28/357799328.db2.gz NMVZETIWNXDTLA-VXGBXAGGSA-N 2 1 230.352 0.146 10 0 BCAEMP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000191818011 357799332 /nfs/dbraw/zinc/79/93/32/357799332.db2.gz NMVZETIWNXDTLA-VXGBXAGGSA-N 2 1 230.352 0.146 10 0 BCAEMP CC1(C)CN(c2cc[nH+]cc2C(N)=O)CC[NH2+]1 ZINC000398992768 357892485 /nfs/dbraw/zinc/89/24/85/357892485.db2.gz MLXYABPNFBURKB-UHFFFAOYSA-N 2 1 234.303 0.369 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944286 /nfs/dbraw/zinc/94/42/86/357944286.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944290 /nfs/dbraw/zinc/94/42/90/357944290.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944294 /nfs/dbraw/zinc/94/42/94/357944294.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944299 /nfs/dbraw/zinc/94/42/99/357944299.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944302 /nfs/dbraw/zinc/94/43/02/357944302.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944306 /nfs/dbraw/zinc/94/43/06/357944306.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938702 357944312 /nfs/dbraw/zinc/94/43/12/357944312.db2.gz IYVPSJSYIGZNMP-UTUOFQBUSA-N 2 1 230.352 0.144 10 0 BCAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)O ZINC000168967142 358001839 /nfs/dbraw/zinc/00/18/39/358001839.db2.gz NJHNTAXHQHQNKX-ZJUUUORDSA-N 2 1 200.326 0.959 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227081000 358348071 /nfs/dbraw/zinc/34/80/71/358348071.db2.gz BTBGHFPGLBMUSQ-WCQYABFASA-N 2 1 239.363 0.587 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538926 358390684 /nfs/dbraw/zinc/39/06/84/358390684.db2.gz BEPOJIBMASMKHK-GHMZBOCLSA-N 2 1 227.352 0.572 10 0 BCAEMP C[C@H]1C[NH2+]CC[C@H]1[N@@H+](C)C(C)(C)CO ZINC000306154564 358940049 /nfs/dbraw/zinc/94/00/49/358940049.db2.gz BKEPVCJAHNIQFN-VHSXEESVSA-N 2 1 200.326 0.687 10 0 BCAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)C(C)(C)CO ZINC000306154550 358940161 /nfs/dbraw/zinc/94/01/61/358940161.db2.gz BKEPVCJAHNIQFN-NXEZZACHSA-N 2 1 200.326 0.687 10 0 BCAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C(C)(C)CO ZINC000306154559 358940199 /nfs/dbraw/zinc/94/01/99/358940199.db2.gz BKEPVCJAHNIQFN-UWVGGRQHSA-N 2 1 200.326 0.687 10 0 BCAEMP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000070316691 359049843 /nfs/dbraw/zinc/04/98/43/359049843.db2.gz CDKCYBQJFGFUTI-VXGBXAGGSA-N 2 1 239.363 0.811 10 0 BCAEMP C[C@H]1C[N@@H+](CCC(C)(C)[NH3+])CC[C@H]1O ZINC000306187757 359003353 /nfs/dbraw/zinc/00/33/53/359003353.db2.gz FFOQMGUMAJBGSQ-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000306518233 360345392 /nfs/dbraw/zinc/34/53/92/360345392.db2.gz GVAZJHSQPOFVEV-BBBLOLIVSA-N 2 1 200.326 0.815 10 0 BCAEMP C[N@@H+](CC[C@@](C)(N)C(N)=O)Cc1ccccc1 ZINC000306523758 360360419 /nfs/dbraw/zinc/36/04/19/360360419.db2.gz UXQDETIODPNHKD-CYBMUJFWSA-N 2 1 235.331 0.711 10 0 BCAEMP COC[C@H](C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309501505 491150433 /nfs/dbraw/zinc/15/04/33/491150433.db2.gz ZWDLFNVEOFXFSA-LLVKDONJSA-N 2 1 230.352 0.315 10 0 BCAEMP [NH3+]C1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000147917321 181324440 /nfs/dbraw/zinc/32/44/40/181324440.db2.gz CLEJJSWYEMLGPX-LLVKDONJSA-N 2 1 237.347 0.565 10 0 BCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000147917321 181324442 /nfs/dbraw/zinc/32/44/42/181324442.db2.gz CLEJJSWYEMLGPX-LLVKDONJSA-N 2 1 237.347 0.565 10 0 BCAEMP [NH3+]C1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000042188296 181343505 /nfs/dbraw/zinc/34/35/05/181343505.db2.gz YTPPVOQLAJBVFA-LBPRGKRZSA-N 2 1 228.336 0.953 10 0 BCAEMP [NH3+]C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000019811502 181344689 /nfs/dbraw/zinc/34/46/89/181344689.db2.gz URGZENBIVUIEKK-JTQLQIEISA-N 2 1 211.309 0.078 10 0 BCAEMP CCCc1[nH+]ccn1CC[C@H]([NH3+])C(N)=O ZINC000069964626 541307662 /nfs/dbraw/zinc/30/76/62/541307662.db2.gz FTFORLORAMQENJ-QMMMGPOBSA-N 2 1 210.281 0.038 10 0 BCAEMP CCOCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361268 364081088 /nfs/dbraw/zinc/08/10/88/364081088.db2.gz IMASVPYNUWXRAV-NWDGAFQWSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361268 364081094 /nfs/dbraw/zinc/08/10/94/364081094.db2.gz IMASVPYNUWXRAV-NWDGAFQWSA-N 2 1 230.352 0.851 10 0 BCAEMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]12 ZINC000037001723 181372213 /nfs/dbraw/zinc/37/22/13/181372213.db2.gz MIBZXXJYLLRKQB-ZJUUUORDSA-N 2 1 211.309 0.078 10 0 BCAEMP [NH3+]CCCC[N@H+]1CCCC[C@H]1CCO ZINC000019265010 181376884 /nfs/dbraw/zinc/37/68/84/181376884.db2.gz PFFBIRCRTSHODG-NSHDSACASA-N 2 1 200.326 0.962 10 0 BCAEMP [NH3+]CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000037712546 181396830 /nfs/dbraw/zinc/39/68/30/181396830.db2.gz BLNOJCOVBLYTNG-UHFFFAOYSA-N 2 1 200.282 0.220 10 0 BCAEMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000574758971 365136661 /nfs/dbraw/zinc/13/66/61/365136661.db2.gz FTWOWQKZICZVIG-AXFHLTTASA-N 2 1 223.320 0.030 10 0 BCAEMP O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623766630 369029640 /nfs/dbraw/zinc/02/96/40/369029640.db2.gz JLUAMZFODFUSIP-FVCCEPFGSA-N 2 1 240.347 0.353 10 0 BCAEMP CC(C)N1CC[C@H]([N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000631839735 369170406 /nfs/dbraw/zinc/17/04/06/369170406.db2.gz KEYOGEJKPGWXBZ-WOPDTQHZSA-N 2 1 239.363 0.522 10 0 BCAEMP C[C@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839839 369184989 /nfs/dbraw/zinc/18/49/89/369184989.db2.gz LMMWPGMQCPSNNM-WDEREUQCSA-N 2 1 248.392 0.338 10 0 BCAEMP C[C@H]1C[N@@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000631839839 369184992 /nfs/dbraw/zinc/18/49/92/369184992.db2.gz LMMWPGMQCPSNNM-WDEREUQCSA-N 2 1 248.392 0.338 10 0 BCAEMP C[C@H]1C[C@H]([NH2+]CC2CC(O)C2)CC[N@H+]1C ZINC000156137257 326219760 /nfs/dbraw/zinc/21/97/60/326219760.db2.gz IMDQSPQNGIAMSO-UZEXVOJHSA-N 2 1 212.337 0.830 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404427847 369428852 /nfs/dbraw/zinc/42/88/52/369428852.db2.gz MVQPTKPUMXCTKJ-GHMZBOCLSA-N 2 1 228.336 0.999 10 0 BCAEMP [NH3+][C@@H]1COC[C@H]1C[N@H+]1CCCSCC1 ZINC000227617322 371905320 /nfs/dbraw/zinc/90/53/20/371905320.db2.gz VYOPFWFLASGBSZ-NXEZZACHSA-N 2 1 216.350 0.399 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840308 372635809 /nfs/dbraw/zinc/63/58/09/372635809.db2.gz BOOOOYWJCWCYNK-DCAQKATOSA-N 2 1 227.352 0.428 10 0 BCAEMP C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840929 372637904 /nfs/dbraw/zinc/63/79/04/372637904.db2.gz WLJAPOPKXDLGOX-MXWKQRLJSA-N 2 1 248.392 0.194 10 0 BCAEMP C[C@H](C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840929 372637912 /nfs/dbraw/zinc/63/79/12/372637912.db2.gz WLJAPOPKXDLGOX-MXWKQRLJSA-N 2 1 248.392 0.194 10 0 BCAEMP C[C@H]1C[N@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000631841110 372638300 /nfs/dbraw/zinc/63/83/00/372638300.db2.gz YBICLHDWAHARBK-UWVGGRQHSA-N 2 1 208.309 0.447 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1C[NH3+] ZINC000631841110 372638302 /nfs/dbraw/zinc/63/83/02/372638302.db2.gz YBICLHDWAHARBK-UWVGGRQHSA-N 2 1 208.309 0.447 10 0 BCAEMP C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000631841948 372639969 /nfs/dbraw/zinc/63/99/69/372639969.db2.gz SFFKLXWWAHLKHB-MNOVXSKESA-N 2 1 225.336 0.135 10 0 BCAEMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842045 372640763 /nfs/dbraw/zinc/64/07/63/372640763.db2.gz ULAVNPLSXFVPDJ-SRVKXCTJSA-N 2 1 241.379 0.770 10 0 BCAEMP CC(C)OCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844404 372642877 /nfs/dbraw/zinc/64/28/77/372642877.db2.gz XCUCKIVBIPXZDK-QWRGUYRKSA-N 2 1 200.326 0.938 10 0 BCAEMP CCc1[nH]c(CN2CCO[C@@H](C[NH3+])C2)c(C)[nH+]1 ZINC000067674828 372843684 /nfs/dbraw/zinc/84/36/84/372843684.db2.gz ZTTOIXVRHZVGRJ-JTQLQIEISA-N 2 1 238.335 0.440 10 0 BCAEMP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1CC(C)(C)O ZINC000069722909 373653034 /nfs/dbraw/zinc/65/30/34/373653034.db2.gz ODRGMKGGYRTEKX-VHSXEESVSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1CC(C)(C)O ZINC000069722909 373653041 /nfs/dbraw/zinc/65/30/41/373653041.db2.gz ODRGMKGGYRTEKX-VHSXEESVSA-N 2 1 200.326 0.959 10 0 BCAEMP [NH3+]CCC[NH+]1CCN(CCC(F)(F)F)CC1 ZINC000070911830 374228302 /nfs/dbraw/zinc/22/83/02/374228302.db2.gz QDIAUFJVRCLOPN-UHFFFAOYSA-N 2 1 239.285 0.905 10 0 BCAEMP [NH3+]CCCN1CC[NH+](CCC(F)(F)F)CC1 ZINC000070911830 374228305 /nfs/dbraw/zinc/22/83/05/374228305.db2.gz QDIAUFJVRCLOPN-UHFFFAOYSA-N 2 1 239.285 0.905 10 0 BCAEMP [NH3+]CCN1CC[NH+](CCC(F)(F)F)CC1 ZINC000070911838 374228333 /nfs/dbraw/zinc/22/83/33/374228333.db2.gz LIOCIHLLAFIHJO-UHFFFAOYSA-N 2 1 225.258 0.515 10 0 BCAEMP OC1(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000051016351 183019511 /nfs/dbraw/zinc/01/95/11/183019511.db2.gz SKPCDHBVKIZULE-NWDGAFQWSA-N 2 1 240.347 0.354 10 0 BCAEMP OCC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000162335167 183099259 /nfs/dbraw/zinc/09/92/59/183099259.db2.gz KNYRZUGNPOQOBZ-NEPJUHHUSA-N 2 1 212.337 0.690 10 0 BCAEMP OC[C@H](C1CCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000050272996 183136584 /nfs/dbraw/zinc/13/65/84/183136584.db2.gz KRKRHKIIGZHTED-GFCCVEGCSA-N 2 1 212.337 0.833 10 0 BCAEMP O=c1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)nc[nH]1 ZINC000045956800 183256855 /nfs/dbraw/zinc/25/68/55/183256855.db2.gz GKLXIWBIODHVQM-VIFPVBQESA-N 2 1 222.292 0.271 10 0 BCAEMP CCC[NH+]1CCC([NH2+]CC(C)C)(C(N)=O)CC1 ZINC000037946092 169188356 /nfs/dbraw/zinc/18/83/56/169188356.db2.gz BKPXWKDSNGGYSP-UHFFFAOYSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCNC(=O)C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062072206 169226496 /nfs/dbraw/zinc/22/64/96/169226496.db2.gz CIZGSXHMFJQENT-GFCCVEGCSA-N 2 1 241.379 0.834 10 0 BCAEMP CCC[N@H+]1CCc2[nH]c(=O)c(C[NH3+])cc2C1 ZINC000043404619 169209266 /nfs/dbraw/zinc/20/92/66/169209266.db2.gz GPHPWZCGBZVUGE-UHFFFAOYSA-N 2 1 221.304 0.602 10 0 BCAEMP CCCNC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042517573 169218732 /nfs/dbraw/zinc/21/87/32/169218732.db2.gz GDGJSNDWYOJIKH-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042517573 169218734 /nfs/dbraw/zinc/21/87/34/169218734.db2.gz GDGJSNDWYOJIKH-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCNC1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037870093 169254929 /nfs/dbraw/zinc/25/49/29/169254929.db2.gz QIQRUIGQJREDCH-DHHPTOIESA-N 2 1 225.336 0.467 10 0 BCAEMP CCC[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037870093 169254934 /nfs/dbraw/zinc/25/49/34/169254934.db2.gz QIQRUIGQJREDCH-DHHPTOIESA-N 2 1 225.336 0.467 10 0 BCAEMP CCC[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037870093 169254936 /nfs/dbraw/zinc/25/49/36/169254936.db2.gz QIQRUIGQJREDCH-DHHPTOIESA-N 2 1 225.336 0.467 10 0 BCAEMP CCC[NH2+]C[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188671 169262465 /nfs/dbraw/zinc/26/24/65/169262465.db2.gz DNYXIQPZWWHFQI-CHWSQXEVSA-N 2 1 243.395 0.230 10 0 BCAEMP CCCNC(=O)[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000042220703 169242867 /nfs/dbraw/zinc/24/28/67/169242867.db2.gz HLXZGJXVYIGMAY-GFCCVEGCSA-N 2 1 241.379 0.977 10 0 BCAEMP CCCNC(=O)[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038040999 169246579 /nfs/dbraw/zinc/24/65/79/169246579.db2.gz GKZCKIFSNSGAIE-VIFPVBQESA-N 2 1 213.325 0.243 10 0 BCAEMP c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC000082345264 183399836 /nfs/dbraw/zinc/39/98/36/183399836.db2.gz SNIGIWLPWNCQLP-AWEZNQCLSA-N 2 1 231.343 0.824 10 0 BCAEMP c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC000082345264 183399839 /nfs/dbraw/zinc/39/98/39/183399839.db2.gz SNIGIWLPWNCQLP-AWEZNQCLSA-N 2 1 231.343 0.824 10 0 BCAEMP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000049648819 169281980 /nfs/dbraw/zinc/28/19/80/169281980.db2.gz ZBNHEXZLVVQNSO-VXGBXAGGSA-N 2 1 239.363 0.539 10 0 BCAEMP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000049648820 169291940 /nfs/dbraw/zinc/29/19/40/169291940.db2.gz ZBNHEXZLVVQNSO-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP CCC[NH2+][C@](C)(Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928194 169293902 /nfs/dbraw/zinc/29/39/02/169293902.db2.gz MOUZOXDAYGKYRP-GFCCVEGCSA-N 2 1 238.335 0.744 10 0 BCAEMP CCC[C@@H](C[NH3+])CC(=O)N1CC[NH+](CC)CC1 ZINC000076624022 169383887 /nfs/dbraw/zinc/38/38/87/169383887.db2.gz VRRAAYDYRVEZHP-GFCCVEGCSA-N 2 1 241.379 0.916 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000224048534 169389195 /nfs/dbraw/zinc/38/91/95/169389195.db2.gz QIQVKRZUGDVJRX-VHSXEESVSA-N 2 1 213.325 0.324 10 0 BCAEMP CCN(C(=O)C[NH2+][C@@H](C)CC[NH+](C)C)C1CC1 ZINC000049557085 169636072 /nfs/dbraw/zinc/63/60/72/169636072.db2.gz RYPOIJAMSOEZAF-NSHDSACASA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000119880491 383920657 /nfs/dbraw/zinc/92/06/57/383920657.db2.gz CYSDNCFJBYZACZ-VXGBXAGGSA-N 2 1 241.379 0.927 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070534450 383935272 /nfs/dbraw/zinc/93/52/72/383935272.db2.gz XJSHNLRNDCIBPB-VHSXEESVSA-N 2 1 214.309 0.609 10 0 BCAEMP CC(C)N1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1=O ZINC000569455974 384062767 /nfs/dbraw/zinc/06/27/67/384062767.db2.gz FRBCNMDBRJBVEB-NWDGAFQWSA-N 2 1 239.363 0.585 10 0 BCAEMP CC[C@H]([NH3+])CNc1cc[nH+]c(N(C)C)n1 ZINC000082924393 384277434 /nfs/dbraw/zinc/27/74/34/384277434.db2.gz HMVIKMJBTWMBRV-QMMMGPOBSA-N 2 1 209.297 0.692 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000401986247 384372753 /nfs/dbraw/zinc/37/27/53/384372753.db2.gz BZEMZVFYDDCBNN-PWSUYJOCSA-N 2 1 228.336 0.210 10 0 BCAEMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000100279349 384630491 /nfs/dbraw/zinc/63/04/91/384630491.db2.gz VMMZFPZMISQAMO-STQMWFEESA-N 2 1 220.316 0.828 10 0 BCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCC[NH3+] ZINC000086930187 384722251 /nfs/dbraw/zinc/72/22/51/384722251.db2.gz AOFOYTMAOFSNAJ-VXGBXAGGSA-N 2 1 211.353 0.894 10 0 BCAEMP CN(C[C@H]1C[NH2+]CCO1)[C@@H]1CCSC1 ZINC000043802197 385047644 /nfs/dbraw/zinc/04/76/44/385047644.db2.gz YLEZZEGXKCKGNP-NXEZZACHSA-N 2 1 216.350 0.412 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000156980973 385031125 /nfs/dbraw/zinc/03/11/25/385031125.db2.gz OYBDNQWGXVSUFJ-QJPTWQEYSA-N 2 1 241.379 0.912 10 0 BCAEMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH3+])cc[nH+]1 ZINC000407986761 385111126 /nfs/dbraw/zinc/11/11/26/385111126.db2.gz HUHDAUQJXYGYPH-BDAKNGLRSA-N 2 1 239.298 0.418 10 0 BCAEMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000257746508 385497011 /nfs/dbraw/zinc/49/70/11/385497011.db2.gz XSNKJNDANWOBHY-QWRGUYRKSA-N 2 1 225.336 0.420 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000054075286 385594396 /nfs/dbraw/zinc/59/43/96/385594396.db2.gz GASCUFAAAFRNBS-SNVBAGLBSA-N 2 1 225.336 0.149 10 0 BCAEMP C[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000259130866 385654044 /nfs/dbraw/zinc/65/40/44/385654044.db2.gz UEFMNCCKSHXUJS-TUAOUCFPSA-N 2 1 211.353 0.940 10 0 BCAEMP C[N@H+]1CCC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000259130866 385654046 /nfs/dbraw/zinc/65/40/46/385654046.db2.gz UEFMNCCKSHXUJS-TUAOUCFPSA-N 2 1 211.353 0.940 10 0 BCAEMP [NH3+][C@H]1CC=C(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000638109925 385842316 /nfs/dbraw/zinc/84/23/16/385842316.db2.gz ZPQJLUKCMOMFBB-NWDGAFQWSA-N 2 1 235.331 0.341 10 0 BCAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000091544636 386299285 /nfs/dbraw/zinc/29/92/85/386299285.db2.gz UXHSOUXNGNTDAV-MNOVXSKESA-N 2 1 237.347 0.420 10 0 BCAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000091544637 386299467 /nfs/dbraw/zinc/29/94/67/386299467.db2.gz UXHSOUXNGNTDAV-QWRGUYRKSA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000192979042 386805953 /nfs/dbraw/zinc/80/59/53/386805953.db2.gz FFTBSRQPGHBHLM-NEPJUHHUSA-N 2 1 244.379 0.392 10 0 BCAEMP C[C@]1(CN2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000250785785 387120325 /nfs/dbraw/zinc/12/03/25/387120325.db2.gz GAVXKCVPVXOCGS-STQMWFEESA-N 2 1 223.364 0.766 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645687120 387272403 /nfs/dbraw/zinc/27/24/03/387272403.db2.gz MUTMBMNSPXDECX-QWRGUYRKSA-N 2 1 239.363 0.585 10 0 BCAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@@H]1CCOC1)CC2 ZINC000368432911 387352525 /nfs/dbraw/zinc/35/25/25/387352525.db2.gz KQLUQGGUNZWAIK-WDEREUQCSA-N 2 1 221.304 0.824 10 0 BCAEMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1CCOC1)CC2 ZINC000368432909 387353127 /nfs/dbraw/zinc/35/31/27/387353127.db2.gz KQLUQGGUNZWAIK-MNOVXSKESA-N 2 1 221.304 0.824 10 0 BCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000305776412 387649788 /nfs/dbraw/zinc/64/97/88/387649788.db2.gz KRCXUJGAFZSWEQ-DDHJBXDOSA-N 2 1 242.363 0.312 10 0 BCAEMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422985753 387795959 /nfs/dbraw/zinc/79/59/59/387795959.db2.gz ADZODCRGVYMLLE-KKOKHZNYSA-N 2 1 211.353 0.654 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422985753 387795964 /nfs/dbraw/zinc/79/59/64/387795964.db2.gz ADZODCRGVYMLLE-KKOKHZNYSA-N 2 1 211.353 0.654 10 0 BCAEMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422985754 387796355 /nfs/dbraw/zinc/79/63/55/387796355.db2.gz ADZODCRGVYMLLE-KXNHARMFSA-N 2 1 211.353 0.654 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422985754 387796359 /nfs/dbraw/zinc/79/63/59/387796359.db2.gz ADZODCRGVYMLLE-KXNHARMFSA-N 2 1 211.353 0.654 10 0 BCAEMP COC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151344241 387825963 /nfs/dbraw/zinc/82/59/63/387825963.db2.gz AMXHQCXTHYOGTC-NWDGAFQWSA-N 2 1 230.352 0.458 10 0 BCAEMP CO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423167229 387952683 /nfs/dbraw/zinc/95/26/83/387952683.db2.gz DVQSIEIAWHLGKF-GMTAPVOTSA-N 2 1 210.321 0.896 10 0 BCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517447 388538087 /nfs/dbraw/zinc/53/80/87/388538087.db2.gz PSIFQVKECNDDPM-DGCLKSJQSA-N 2 1 237.347 0.435 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516930667 388526271 /nfs/dbraw/zinc/52/62/71/388526271.db2.gz XBMRPGGGLNLYCI-NNYUYHANSA-N 2 1 237.347 0.419 10 0 BCAEMP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000137568316 388562928 /nfs/dbraw/zinc/56/29/28/388562928.db2.gz LFQOZXZIMDTQGN-VXGBXAGGSA-N 2 1 241.379 0.785 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]12 ZINC000261551854 388643079 /nfs/dbraw/zinc/64/30/79/388643079.db2.gz MKVINDAILPDHFN-SDDRHHMPSA-N 2 1 237.347 0.182 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]12 ZINC000261551854 388643082 /nfs/dbraw/zinc/64/30/82/388643082.db2.gz MKVINDAILPDHFN-SDDRHHMPSA-N 2 1 237.347 0.182 10 0 BCAEMP C[C@H]([NH3+])CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000225952542 388694018 /nfs/dbraw/zinc/69/40/18/388694018.db2.gz MHYGERVDOAWTJG-SRVKXCTJSA-N 2 1 211.353 0.892 10 0 BCAEMP c1cc(N2CCOCC2)c2c([nH+]1)CC[NH2+]C2 ZINC000116481347 132312533 /nfs/dbraw/zinc/31/25/33/132312533.db2.gz IFYOYXLLZUOBLA-UHFFFAOYSA-N 2 1 219.288 0.564 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000085012942 134221063 /nfs/dbraw/zinc/22/10/63/134221063.db2.gz OZRHZZTZRBUMRX-UWVGGRQHSA-N 2 1 225.336 0.324 10 0 BCAEMP CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226857791 134369964 /nfs/dbraw/zinc/36/99/64/134369964.db2.gz TYTKITZIXSJELE-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CCOC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000250513721 135056211 /nfs/dbraw/zinc/05/62/11/135056211.db2.gz ODSSGWWHXCSBKV-NWDGAFQWSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000250513721 135056213 /nfs/dbraw/zinc/05/62/13/135056213.db2.gz ODSSGWWHXCSBKV-NWDGAFQWSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000250513721 135056214 /nfs/dbraw/zinc/05/62/14/135056214.db2.gz ODSSGWWHXCSBKV-NWDGAFQWSA-N 2 1 230.352 0.267 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)CCOCC[NH3+] ZINC000086435929 135084115 /nfs/dbraw/zinc/08/41/15/135084115.db2.gz LSHKIKNFUDQINQ-GFCCVEGCSA-N 2 1 229.368 0.378 10 0 BCAEMP Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)nc(C)[nH+]1 ZINC000261530130 135157636 /nfs/dbraw/zinc/15/76/36/135157636.db2.gz CBDPLINTLLMZGP-OIBJUYFYSA-N 2 1 206.293 0.877 10 0 BCAEMP C[N@@H+](CC1CC(O)C1)C[C@H]1CCC[NH2+]C1 ZINC000087647888 135161123 /nfs/dbraw/zinc/16/11/23/135161123.db2.gz NKYBONHDVHIYFO-UNXYVOJBSA-N 2 1 212.337 0.689 10 0 BCAEMP Cc1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000261541092 135181021 /nfs/dbraw/zinc/18/10/21/135181021.db2.gz FMXXRPQWRSGNHC-WCBMZHEXSA-N 2 1 227.333 0.121 10 0 BCAEMP OC[C@@H]1C[C@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261542063 135182640 /nfs/dbraw/zinc/18/26/40/135182640.db2.gz GLUUTHWRLKSJGJ-QWRGUYRKSA-N 2 1 216.300 0.391 10 0 BCAEMP C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH2+]1)C1CC1 ZINC000261542686 135183082 /nfs/dbraw/zinc/18/30/82/135183082.db2.gz CGZFYHPLFPREKS-LLVKDONJSA-N 2 1 239.363 0.729 10 0 BCAEMP Cn1cc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261549924 135189323 /nfs/dbraw/zinc/18/93/23/135189323.db2.gz LANMXQHOQSIPSJ-AVGNSLFASA-N 2 1 234.347 0.632 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261551255 135190114 /nfs/dbraw/zinc/19/01/14/135190114.db2.gz LXWDYMKWDRRRIU-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP 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JZFRBCFCMLCGFK-AXFHLTTASA-N 2 1 225.336 0.182 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]12 ZINC000261596346 135235734 /nfs/dbraw/zinc/23/57/34/135235734.db2.gz YSTCXAHQPZTVRL-SDDRHHMPSA-N 2 1 220.320 0.552 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261596149 135236347 /nfs/dbraw/zinc/23/63/47/135236347.db2.gz YNXGIQMLHPGWIZ-HBNTYKKESA-N 2 1 225.336 0.180 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261596149 135236348 /nfs/dbraw/zinc/23/63/48/135236348.db2.gz YNXGIQMLHPGWIZ-HBNTYKKESA-N 2 1 225.336 0.180 10 0 BCAEMP c1ncc2c(n1)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000261678688 135244833 /nfs/dbraw/zinc/24/48/33/135244833.db2.gz IEIHFHWXDBWTAM-UHFFFAOYSA-N 2 1 232.331 0.834 10 0 BCAEMP c1nnc([C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000261766546 135251941 /nfs/dbraw/zinc/25/19/41/135251941.db2.gz DISXVAWYHSARCX-NEPJUHHUSA-N 2 1 249.362 0.984 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[C@@H](C)[NH3+] ZINC000261791875 135253334 /nfs/dbraw/zinc/25/33/34/135253334.db2.gz KIZZDRGEKWJHDH-UTUOFQBUSA-N 2 1 239.363 0.809 10 0 BCAEMP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000261790465 135253880 /nfs/dbraw/zinc/25/38/80/135253880.db2.gz GEBHWTQKLRJDGI-STQMWFEESA-N 2 1 242.363 0.723 10 0 BCAEMP CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261871829 135259287 /nfs/dbraw/zinc/25/92/87/135259287.db2.gz DFRNYHFWLAYWSR-YNEHKIRRSA-N 2 1 242.363 0.770 10 0 BCAEMP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000261910613 135261770 /nfs/dbraw/zinc/26/17/70/135261770.db2.gz ZQUCWXUIMRVGMZ-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000261910613 135261771 /nfs/dbraw/zinc/26/17/71/135261771.db2.gz ZQUCWXUIMRVGMZ-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@]1(C[N@H+]2CCC[C@H](n3cncn3)C2)CC[NH2+]C1 ZINC000261917385 135262558 /nfs/dbraw/zinc/26/25/58/135262558.db2.gz ZTOOVOVYQQBBAB-QWHCGFSZSA-N 2 1 249.362 0.915 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261919916 135262566 /nfs/dbraw/zinc/26/25/66/135262566.db2.gz YSKBTRXAVGQSMV-NWDGAFQWSA-N 2 1 241.379 0.912 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000261926508 135263755 /nfs/dbraw/zinc/26/37/55/135263755.db2.gz ZNEJQISGOHXJMT-WDEREUQCSA-N 2 1 239.363 0.857 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262110425 135279845 /nfs/dbraw/zinc/27/98/45/135279845.db2.gz GXKSXNBTHMELBS-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000262143630 135281164 /nfs/dbraw/zinc/28/11/64/135281164.db2.gz PYZLNLAJWQRINO-YPMHNXCESA-N 2 1 238.306 0.804 10 0 BCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C2C[NH2+]C2)[C@H](C)C1 ZINC000262178760 135283716 /nfs/dbraw/zinc/28/37/16/135283716.db2.gz DIBFGQZIXWSSSF-PWSUYJOCSA-N 2 1 239.363 0.395 10 0 BCAEMP Oc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263174470 135337427 /nfs/dbraw/zinc/33/74/27/135337427.db2.gz GARWVZBPYGMWOH-ZYHUDNBSSA-N 2 1 222.288 0.062 10 0 BCAEMP Cc1ccncc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263219350 135339802 /nfs/dbraw/zinc/33/98/02/135339802.db2.gz LNIVJASKCUHBEM-VXGBXAGGSA-N 2 1 221.304 0.060 10 0 BCAEMP Cc1ccncc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263219349 135339973 /nfs/dbraw/zinc/33/99/73/135339973.db2.gz LNIVJASKCUHBEM-RYUDHWBXSA-N 2 1 221.304 0.060 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000263225306 135340887 /nfs/dbraw/zinc/34/08/87/135340887.db2.gz MSLMBJAKIOWNRO-CABZTGNLSA-N 2 1 242.269 0.635 10 0 BCAEMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263229875 135341209 /nfs/dbraw/zinc/34/12/09/135341209.db2.gz NIALJYMRLHUUAO-DGCLKSJQSA-N 2 1 238.306 0.804 10 0 BCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000263260215 135343805 /nfs/dbraw/zinc/34/38/05/135343805.db2.gz GFDGARKWMPDBSB-QWRGUYRKSA-N 2 1 239.363 0.442 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000383759326 398036326 /nfs/dbraw/zinc/03/63/26/398036326.db2.gz LECDEZXKLIMUDQ-OLZOCXBDSA-N 2 1 242.363 0.600 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000383759326 398036329 /nfs/dbraw/zinc/03/63/29/398036329.db2.gz LECDEZXKLIMUDQ-OLZOCXBDSA-N 2 1 242.363 0.600 10 0 BCAEMP CNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037224641 173278144 /nfs/dbraw/zinc/27/81/44/173278144.db2.gz ZMPNSWAFDMOSMO-ZJUUUORDSA-N 2 1 213.325 0.052 10 0 BCAEMP CNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037224641 173278145 /nfs/dbraw/zinc/27/81/45/173278145.db2.gz ZMPNSWAFDMOSMO-ZJUUUORDSA-N 2 1 213.325 0.052 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750350 167053993 /nfs/dbraw/zinc/05/39/93/167053993.db2.gz NBVWKDQXEKUTOL-FGWVZKOKSA-N 2 1 225.336 0.465 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750350 167053994 /nfs/dbraw/zinc/05/39/94/167053994.db2.gz NBVWKDQXEKUTOL-FGWVZKOKSA-N 2 1 225.336 0.465 10 0 BCAEMP CC(C)OCC[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000049259244 167232199 /nfs/dbraw/zinc/23/21/99/167232199.db2.gz MIQIBEMUUHRKHC-UHFFFAOYSA-N 2 1 243.395 0.768 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000662265798 409560765 /nfs/dbraw/zinc/56/07/65/409560765.db2.gz IOOSESDSIFEJSY-YFKTTZPYSA-N 2 1 237.347 0.276 10 0 BCAEMP COC[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)OC ZINC000662267612 409568346 /nfs/dbraw/zinc/56/83/46/409568346.db2.gz WEPRMGCSBWYIHA-RYUDHWBXSA-N 2 1 230.352 0.722 10 0 BCAEMP COC[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)OC ZINC000662267610 409570490 /nfs/dbraw/zinc/57/04/90/409570490.db2.gz WEPRMGCSBWYIHA-NEPJUHHUSA-N 2 1 230.352 0.722 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000040673655 410883015 /nfs/dbraw/zinc/88/30/15/410883015.db2.gz DPDJHYZWLALFHX-MCIGGMRASA-N 2 1 239.363 0.714 10 0 BCAEMP CC(C)[N@H+]1CCc2[nH]c(=O)c(C[NH3+])cc2C1 ZINC000043404640 167026696 /nfs/dbraw/zinc/02/66/96/167026696.db2.gz JXBSXEVVTAPISR-UHFFFAOYSA-N 2 1 221.304 0.600 10 0 BCAEMP 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10 0 BCAEMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000657352978 411474000 /nfs/dbraw/zinc/47/40/00/411474000.db2.gz XOYQYLLKZCTOGE-OLZOCXBDSA-N 2 1 242.363 0.600 10 0 BCAEMP CC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH+](C)C2)C1 ZINC000061988912 170010269 /nfs/dbraw/zinc/01/02/69/170010269.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[NH+]1CC[C@@H](CN[C@@H]2CC[N@H+](C)C2)C1 ZINC000061988912 170010270 /nfs/dbraw/zinc/01/02/70/170010270.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[NH+]1CC[C@@H](CN[C@@H]2CC[N@@H+](C)C2)C1 ZINC000061988912 170010271 /nfs/dbraw/zinc/01/02/71/170010271.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2)C1 ZINC000061988912 170010273 /nfs/dbraw/zinc/01/02/73/170010273.db2.gz UNFJEPZWVVSKHQ-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2)C1 ZINC000061988912 170010274 /nfs/dbraw/zinc/01/02/74/170010274.db2.gz 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/nfs/dbraw/zinc/05/31/13/170053113.db2.gz MGIUTSHTHVRYIU-VXGBXAGGSA-N 2 1 239.363 0.729 10 0 BCAEMP CCNC(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602087 170061371 /nfs/dbraw/zinc/06/13/71/170061371.db2.gz IKYJEWBZCHPREZ-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CCNC(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602087 170061372 /nfs/dbraw/zinc/06/13/72/170061372.db2.gz IKYJEWBZCHPREZ-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2COCCO2)C[C@@H]1C ZINC000049713103 170152320 /nfs/dbraw/zinc/15/23/20/170152320.db2.gz ZNIXMURKOYNMDG-YNEHKIRRSA-N 2 1 242.363 0.722 10 0 BCAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2COCCO2)C[C@@H]1C ZINC000049713103 170152321 /nfs/dbraw/zinc/15/23/21/170152321.db2.gz ZNIXMURKOYNMDG-YNEHKIRRSA-N 2 1 242.363 0.722 10 0 BCAEMP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000049648942 170167914 /nfs/dbraw/zinc/16/79/14/170167914.db2.gz XSDAOKGSQIFBNM-MNOVXSKESA-N 2 1 225.336 0.291 10 0 BCAEMP 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BCAEMP CN(Cc1cc(C[NH3+])no1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191815 173112805 /nfs/dbraw/zinc/11/28/05/173112805.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 1 238.335 0.517 10 0 BCAEMP CN(Cc1cc(CN)no1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191815 173112809 /nfs/dbraw/zinc/11/28/09/173112809.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 1 238.335 0.517 10 0 BCAEMP CN(Cc1cc(CN)no1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191815 173112813 /nfs/dbraw/zinc/11/28/13/173112813.db2.gz GBGCLPXDPGPECA-SNVBAGLBSA-N 3 1 238.335 0.517 10 0 BCAEMP C[N@@H+]1CC[C@@H](C[NH2+]CC(=O)N2CCCCC2)C1 ZINC000037647440 173115705 /nfs/dbraw/zinc/11/57/05/173115705.db2.gz NUCOUSAZVBSEHI-LBPRGKRZSA-N 2 1 239.363 0.540 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]CC(=O)N2CCCCC2)C1 ZINC000037647440 173115707 /nfs/dbraw/zinc/11/57/07/173115707.db2.gz NUCOUSAZVBSEHI-LBPRGKRZSA-N 2 1 239.363 0.540 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000042549632 173121202 /nfs/dbraw/zinc/12/12/02/173121202.db2.gz IJBRVLXVUBYFAE-GFCCVEGCSA-N 2 1 248.330 0.971 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000216223770 173142909 /nfs/dbraw/zinc/14/29/09/173142909.db2.gz IKDZFJZFLFTRCL-STQMWFEESA-N 2 1 225.380 0.870 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(C[NH3+])nn1 ZINC000071191774 173143331 /nfs/dbraw/zinc/14/33/31/173143331.db2.gz HDCXVABXTHZEPS-JTQLQIEISA-N 2 1 235.335 0.323 10 0 BCAEMP C[N@H+]1CC[C@H](CN2CCC[NH2+]CCC2)C1 ZINC000049666501 173145072 /nfs/dbraw/zinc/14/50/72/173145072.db2.gz DUURGJUDJRKVRF-LBPRGKRZSA-N 2 1 211.353 0.624 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055087884 173145854 /nfs/dbraw/zinc/14/58/54/173145854.db2.gz OIVYPAYHUPETOO-UTUOFQBUSA-N 2 1 239.363 0.572 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COC(C)(C)C)C1 ZINC000037894109 173147179 /nfs/dbraw/zinc/14/71/79/173147179.db2.gz DYDAWUGIQFYDRI-NEPJUHHUSA-N 2 1 244.379 0.704 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000042549142 173149902 /nfs/dbraw/zinc/14/99/02/173149902.db2.gz BPCANHDGLCBBRC-JTQLQIEISA-N 2 1 225.336 0.468 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000050951051 173150910 /nfs/dbraw/zinc/15/09/10/173150910.db2.gz ZCJVFGVCXNUUPI-LBPRGKRZSA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@@H+]1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000061990125 173162657 /nfs/dbraw/zinc/16/26/57/173162657.db2.gz HDOOJYKVYICFDV-SNVBAGLBSA-N 2 1 215.366 0.068 10 0 BCAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000061990125 173162659 /nfs/dbraw/zinc/16/26/59/173162659.db2.gz HDOOJYKVYICFDV-SNVBAGLBSA-N 2 1 215.366 0.068 10 0 BCAEMP CN(CC1CCC1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990805 173163547 /nfs/dbraw/zinc/16/35/47/173163547.db2.gz KYUSEKYQJRQVAR-GFCCVEGCSA-N 2 1 211.353 0.751 10 0 BCAEMP CNC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051761684 173252738 /nfs/dbraw/zinc/25/27/38/173252738.db2.gz NBRWBMXMVBWOSJ-WDEREUQCSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051761684 173252740 /nfs/dbraw/zinc/25/27/40/173252740.db2.gz NBRWBMXMVBWOSJ-WDEREUQCSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000051761584 173253733 /nfs/dbraw/zinc/25/37/33/173253733.db2.gz AGVMACSFMJXOQN-RYUDHWBXSA-N 2 1 239.363 0.587 10 0 BCAEMP CNC(=O)C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901272 173276805 /nfs/dbraw/zinc/27/68/05/173276805.db2.gz LSBVBCQSAMJPMA-UHFFFAOYSA-N 2 1 241.379 0.977 10 0 BCAEMP CNC(=O)C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901272 173276806 /nfs/dbraw/zinc/27/68/06/173276806.db2.gz LSBVBCQSAMJPMA-UHFFFAOYSA-N 2 1 241.379 0.977 10 0 BCAEMP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037224640 173277397 /nfs/dbraw/zinc/27/73/97/173277397.db2.gz ZMPNSWAFDMOSMO-UWVGGRQHSA-N 2 1 213.325 0.052 10 0 BCAEMP CNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037224640 173277398 /nfs/dbraw/zinc/27/73/98/173277398.db2.gz ZMPNSWAFDMOSMO-UWVGGRQHSA-N 2 1 213.325 0.052 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 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GVJDWDHIPAFJPV-CYBMUJFWSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@H]1CCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053033656 173381325 /nfs/dbraw/zinc/38/13/25/173381325.db2.gz PILFZJLJYVERMH-CHWSQXEVSA-N 2 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC000053033656 173381328 /nfs/dbraw/zinc/38/13/28/173381328.db2.gz PILFZJLJYVERMH-CHWSQXEVSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC000053033656 173381329 /nfs/dbraw/zinc/38/13/29/173381329.db2.gz PILFZJLJYVERMH-CHWSQXEVSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000053033656 173381331 /nfs/dbraw/zinc/38/13/31/173381331.db2.gz PILFZJLJYVERMH-CHWSQXEVSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053033656 173381332 /nfs/dbraw/zinc/38/13/32/173381332.db2.gz PILFZJLJYVERMH-CHWSQXEVSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031377 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C[NH2+]Cc1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000034825299 173383813 /nfs/dbraw/zinc/38/38/13/173383813.db2.gz PXHMHKZSJUMZBJ-UHFFFAOYSA-N 2 1 219.292 0.942 10 0 BCAEMP C[NH2+]Cc1cn(CC[N@@H+](C)[C@@H](C)C2CC2)nn1 ZINC000052479158 173391841 /nfs/dbraw/zinc/39/18/41/173391841.db2.gz IOXGHKQDTNAIDL-JTQLQIEISA-N 2 1 237.351 0.728 10 0 BCAEMP C[NH2+][C@H]1CCOC[C@@H]1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188895 173466996 /nfs/dbraw/zinc/46/69/96/173466996.db2.gz RNMKYXOHSRZPET-AGIUHOORSA-N 2 1 241.379 0.247 10 0 BCAEMP COC1CC[NH+]([C@]2(C[NH3+])CCSC2)CC1 ZINC000037265943 174032708 /nfs/dbraw/zinc/03/27/08/174032708.db2.gz QRWCEMCXTZJORS-NSHDSACASA-N 2 1 230.377 0.932 10 0 BCAEMP COCC[N@@H+](CCC[NH3+])CCn1ccnc1C ZINC000071225264 174291101 /nfs/dbraw/zinc/29/11/01/174291101.db2.gz FYPVESVGAPQBIN-UHFFFAOYSA-N 2 1 240.351 0.489 10 0 BCAEMP COCC[N@@H+](CCN1CCC[NH2+]CC1)C1CC1 ZINC000061275381 174291918 /nfs/dbraw/zinc/29/19/18/174291918.db2.gz KHMOHWUUCKFBBO-UHFFFAOYSA-N 2 1 241.379 0.393 10 0 BCAEMP 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10 0 BCAEMP C[C@@H]1C[N@@H+](CCC[C@](C)([NH3+])C(N)=O)CCCO1 ZINC000061933228 176290113 /nfs/dbraw/zinc/29/01/13/176290113.db2.gz IHNOGJSMZTTYHE-PWSUYJOCSA-N 2 1 243.351 0.080 10 0 BCAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1N(C)C ZINC000124353613 176293787 /nfs/dbraw/zinc/29/37/87/176293787.db2.gz JNWWTBULWSJRBE-AGIUHOORSA-N 2 1 225.380 0.868 10 0 BCAEMP C[C@@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000061148150 176323990 /nfs/dbraw/zinc/32/39/90/176323990.db2.gz XQTOKMRKXKQNNK-NEPJUHHUSA-N 2 1 212.337 0.954 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000104214728 176329052 /nfs/dbraw/zinc/32/90/52/176329052.db2.gz VZFMXXMHYGGHNN-WRWGMCAJSA-N 2 1 237.347 0.195 10 0 BCAEMP C[C@@H]1COCCN1[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000035774855 176337980 /nfs/dbraw/zinc/33/79/80/176337980.db2.gz QEWZNXUTPNDRMG-DGCLKSJQSA-N 2 1 239.363 0.130 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1C[NH2+]C1 ZINC000090035452 177075047 /nfs/dbraw/zinc/07/50/47/177075047.db2.gz NVUUGJIIKIKJHT-NSHDSACASA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@H]1CCC[N@@H+](CCC(=O)N(C)CCC[NH3+])C1 ZINC000037049859 177098139 /nfs/dbraw/zinc/09/81/39/177098139.db2.gz FXWBDOXODNAARS-LBPRGKRZSA-N 2 1 241.379 0.916 10 0 BCAEMP C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH2+]1 ZINC000037647271 177180784 /nfs/dbraw/zinc/18/07/84/177180784.db2.gz VRQWITMLWNWHDD-SDDRHHMPSA-N 2 1 239.363 0.442 10 0 BCAEMP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015961 177244970 /nfs/dbraw/zinc/24/49/70/177244970.db2.gz BPWYRPVBZRXJCM-MNOVXSKESA-N 2 1 228.336 0.210 10 0 BCAEMP C[C@H]1C[N@@H+](CCC[C@](C)([NH3+])C(N)=O)CCCO1 ZINC000061933229 177249724 /nfs/dbraw/zinc/24/97/24/177249724.db2.gz IHNOGJSMZTTYHE-JQWIXIFHSA-N 2 1 243.351 0.080 10 0 BCAEMP C[C@H]1CN([C@@H](C[NH3+])c2cccnc2)CC[N@H+]1C ZINC000107913737 177274765 /nfs/dbraw/zinc/27/47/65/177274765.db2.gz DETXWOUKHNOVAM-AAEUAGOBSA-N 2 1 234.347 0.717 10 0 BCAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1 ZINC000104341986 177371684 /nfs/dbraw/zinc/37/16/84/177371684.db2.gz NCIBPKFXBZASDC-KXNHARMFSA-N 2 1 239.363 0.583 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250598392 487736364 /nfs/dbraw/zinc/73/63/64/487736364.db2.gz JJASWJRYSCMDFX-TUAOUCFPSA-N 2 1 239.363 0.714 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250603652 487736404 /nfs/dbraw/zinc/73/64/04/487736404.db2.gz KRVCTLAAKNPCHP-MNOVXSKESA-N 2 1 225.336 0.054 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073609 487736849 /nfs/dbraw/zinc/73/68/49/487736849.db2.gz VTGTYPJGAXWSJR-GMTAPVOTSA-N 2 1 225.336 0.337 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CC[NH2+]C1 ZINC000251773762 487796827 /nfs/dbraw/zinc/79/68/27/487796827.db2.gz MOEPPKWCFVVXNZ-AGIUHOORSA-N 2 1 223.364 0.764 10 0 BCAEMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450107 487817032 /nfs/dbraw/zinc/81/70/32/487817032.db2.gz HDZZZUXWNDFHAO-VXGBXAGGSA-N 2 1 239.363 0.526 10 0 BCAEMP C([C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227374837 487826420 /nfs/dbraw/zinc/82/64/20/487826420.db2.gz KMLKOMKZALRYPL-CHWSQXEVSA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000252714715 487830815 /nfs/dbraw/zinc/83/08/15/487830815.db2.gz SSHLECNLALBECW-SDDRHHMPSA-N 2 1 237.347 0.434 10 0 BCAEMP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000518360211 322961936 /nfs/dbraw/zinc/96/19/36/322961936.db2.gz UEPBHKNWGADPAZ-RYUDHWBXSA-N 3 1 213.369 0.916 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000570282022 323055011 /nfs/dbraw/zinc/05/50/11/323055011.db2.gz CMCRPYCHMOTGMG-OUAUKWLOSA-N 2 1 225.336 0.324 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000310089784 487982301 /nfs/dbraw/zinc/98/23/01/487982301.db2.gz QFVFJEUSZMZVSU-WOPDTQHZSA-N 2 1 239.363 0.680 10 0 BCAEMP CN(C)[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000084385836 488050056 /nfs/dbraw/zinc/05/00/56/488050056.db2.gz AVEHEQOGFLIYCX-RYUDHWBXSA-N 2 1 211.353 0.622 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000136444966 488103389 /nfs/dbraw/zinc/10/33/89/488103389.db2.gz NXCUJVTUGOFHLJ-NWDGAFQWSA-N 2 1 241.379 0.818 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227411824 488116318 /nfs/dbraw/zinc/11/63/18/488116318.db2.gz RYRGPLUZRAKPGS-SRVKXCTJSA-N 2 1 239.363 0.809 10 0 BCAEMP CC[N@H+]1CCC[C@@H](CN2CC[NH2+]CC2)C1 ZINC000082641817 491126249 /nfs/dbraw/zinc/12/62/49/491126249.db2.gz YZGSDAWZARMLHM-GFCCVEGCSA-N 2 1 211.353 0.624 10 0 BCAEMP Cn1c[nH+]cc1CCCN1CC[C@@H]1C[NH3+] ZINC000757147097 582530239 /nfs/dbraw/zinc/53/02/39/582530239.db2.gz SNAIJXSGDFBDBV-SNVBAGLBSA-N 2 1 208.309 0.386 10 0 BCAEMP COC[C@@H](C[N@@H+]1CC[C@@H]1C[NH3+])C(C)C ZINC000757157433 582540980 /nfs/dbraw/zinc/54/09/80/582540980.db2.gz NDJOQNFGYZIDDA-GHMZBOCLSA-N 2 1 200.326 0.938 10 0 BCAEMP COC[C@@H](C[N@H+]1CC[C@@H]1C[NH3+])C(C)C ZINC000757157433 582540981 /nfs/dbraw/zinc/54/09/81/582540981.db2.gz NDJOQNFGYZIDDA-GHMZBOCLSA-N 2 1 200.326 0.938 10 0 BCAEMP OCC[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000399075480 583170115 /nfs/dbraw/zinc/17/01/15/583170115.db2.gz NJHPNRAYEYGWLF-GFCCVEGCSA-N 2 1 242.363 0.459 10 0 BCAEMP C[C@@H](CCCCO)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399099109 583170258 /nfs/dbraw/zinc/17/02/58/583170258.db2.gz ZNYOBWNLONORGC-LBPRGKRZSA-N 2 1 244.379 0.584 10 0 BCAEMP CCc1nc(N2CC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000757154573 586430181 /nfs/dbraw/zinc/43/01/81/586430181.db2.gz ZERQJUGENLBVMX-SECBINFHSA-N 2 1 206.293 0.885 10 0 BCAEMP CCOC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[N@@H+](C)CC2 ZINC000757184931 586434212 /nfs/dbraw/zinc/43/42/12/586434212.db2.gz PEKLYHMKDQZKTQ-AAEUAGOBSA-N 2 1 240.347 0.871 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2CC[NH2+][C@@H](C[NH3+])C2)c1 ZINC000757216597 586441057 /nfs/dbraw/zinc/44/10/57/586441057.db2.gz QIWHLGVSYIQPOW-QWHCGFSZSA-N 3 1 219.332 0.940 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2[NH2+]CC[C@H](C)[C@@H]2N)CC[NH2+]1 ZINC000757231163 586443001 /nfs/dbraw/zinc/44/30/01/586443001.db2.gz GMGCMCIHFSDBFI-KNZXXDILSA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2[NH2+]C[C@@H](N)C[C@@H]2C)CC[NH2+]1 ZINC000757235634 586443201 /nfs/dbraw/zinc/44/32/01/586443201.db2.gz MDIOAJFDLSZYKM-MTVMDMGHSA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[NH2+][C@H](C[NH3+])C2)CC[NH2+]1 ZINC000757234526 586443364 /nfs/dbraw/zinc/44/33/64/586443364.db2.gz KOJUSOPQKKSVLO-KKOKHZNYSA-N 3 1 211.353 0.701 10 0 BCAEMP CC[N@H+](CC(=O)NC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000129488492 591312118 /nfs/dbraw/zinc/31/21/18/591312118.db2.gz RMMOUMZBULZGQF-LBPRGKRZSA-N 2 1 241.379 0.975 10 0 BCAEMP CC[N@@H+](CC(=O)NC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000129488492 591312121 /nfs/dbraw/zinc/31/21/21/591312121.db2.gz RMMOUMZBULZGQF-LBPRGKRZSA-N 2 1 241.379 0.975 10 0 BCAEMP C[C@H]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C[NH3+] ZINC000253200070 634532015 /nfs/dbraw/zinc/53/20/15/634532015.db2.gz WWGWXLUIJMERQE-WDEREUQCSA-N 2 1 249.362 0.964 10 0 BCAEMP [NH3+]CC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000214973071 631288794 /nfs/dbraw/zinc/28/87/94/631288794.db2.gz LFZGRYQKJFEKSF-ZDUSSCGKSA-N 2 1 220.316 0.972 10 0 BCAEMP C([C@H]1CCCO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077385012 631321450 /nfs/dbraw/zinc/32/14/50/631321450.db2.gz KULSVZKPUVSJIK-QWHCGFSZSA-N 2 1 239.363 0.145 10 0 BCAEMP COC(=O)[C@](C)([NH3+])CCn1c[nH+]c(C)c1C ZINC000051928278 632764566 /nfs/dbraw/zinc/76/45/66/632764566.db2.gz MGCUNEQLPWNTGR-LLVKDONJSA-N 2 1 225.292 0.780 10 0 BCAEMP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000227804507 632939994 /nfs/dbraw/zinc/93/99/94/632939994.db2.gz MMLXWUOOOPBODM-HBNTYKKESA-N 2 1 237.347 0.467 10 0 BCAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](CCO)C2)C1 ZINC000309554873 633198787 /nfs/dbraw/zinc/19/87/87/633198787.db2.gz LYMFQUNBDGUFRT-GRYCIOLGSA-N 2 1 212.337 0.818 10 0 BCAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CCO)C2)C1 ZINC000309554877 633953502 /nfs/dbraw/zinc/95/35/02/633953502.db2.gz LYMFQUNBDGUFRT-SDDRHHMPSA-N 2 1 212.337 0.818 10 0 BCAEMP Cc1[nH+]ccn1CCCC[C@@](C)([NH3+])C(N)=O ZINC000045432502 640556349 /nfs/dbraw/zinc/55/63/49/640556349.db2.gz MVRRQEXLISPETG-LLVKDONJSA-N 2 1 224.308 0.565 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157596212 640695870 /nfs/dbraw/zinc/69/58/70/640695870.db2.gz ZGOPTWBNDHSSRV-MNOVXSKESA-N 2 1 227.352 0.570 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000226126990 640733032 /nfs/dbraw/zinc/73/30/32/640733032.db2.gz KKOWWNGBLGCSNA-QWRGUYRKSA-N 2 1 216.325 0.053 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000227748190 640847163 /nfs/dbraw/zinc/84/71/63/640847163.db2.gz FALRKIJDNOSUSH-SNVBAGLBSA-N 2 1 204.314 0.053 10 0 BCAEMP CCCCOC[C@H](O)C[NH+]1CCC([NH2+]C)CC1 ZINC000227882997 640852471 /nfs/dbraw/zinc/85/24/71/640852471.db2.gz ZVLQVEUDNRENCW-CYBMUJFWSA-N 2 1 244.379 0.848 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227910232 640853833 /nfs/dbraw/zinc/85/38/33/640853833.db2.gz TXCVMVKMLVCJPV-QWHCGFSZSA-N 2 1 244.379 0.835 10 0 BCAEMP [NH3+][C@H](CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000228530907 640878743 /nfs/dbraw/zinc/87/87/43/640878743.db2.gz IODGXFXCZPGIAE-VXGBXAGGSA-N 2 1 237.347 0.420 10 0 BCAEMP CCS(=O)(=O)CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000233823088 642700027 /nfs/dbraw/zinc/70/00/27/642700027.db2.gz MYAOLAJOYDVRQG-SNVBAGLBSA-N 2 1 234.365 0.010 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000306111869 642722851 /nfs/dbraw/zinc/72/28/51/642722851.db2.gz WNKNCTZDNNXZCL-NWDGAFQWSA-N 2 1 239.363 0.714 10 0 BCAEMP CCCc1[nH+]ccn1CC[C@@](C)([NH3+])C(N)=O ZINC000069964633 642945767 /nfs/dbraw/zinc/94/57/67/642945767.db2.gz RFDCDRLCPVCNFQ-LLVKDONJSA-N 2 1 224.308 0.428 10 0 BCAEMP CC(C)[N@H+]1CCO[C@H](COC2C[NH2+]C2)C1 ZINC000070649943 643054694 /nfs/dbraw/zinc/05/46/94/643054694.db2.gz FBXBITXUOKYMRG-NSHDSACASA-N 2 1 214.309 0.084 10 0 BCAEMP COC(=O)[C@H]1C[NH2+]C[C@]12CCC[N@@H+](C)CC2 ZINC000757183647 643358925 /nfs/dbraw/zinc/35/89/25/643358925.db2.gz DRFPKAXKGZEIFV-ZYHUDNBSSA-N 2 1 226.320 0.481 10 0 BCAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1cccc(C=O)c1 ZINC000757211184 643371667 /nfs/dbraw/zinc/37/16/67/643371667.db2.gz GSKPYXQNVWLJOE-NEPJUHHUSA-N 2 1 204.273 0.903 10 0 BCAEMP Cc1[nH+]cn([C@H](C)C[C@](C)([NH3+])C(N)=O)c1C ZINC000082800572 643382613 /nfs/dbraw/zinc/38/26/13/643382613.db2.gz FRQBHTCMMAKIJY-HQJQHLMTSA-N 2 1 224.308 0.654 10 0 BCAEMP CCC[NH2+]CCNc1cc[nH+]c(N(C)C)n1 ZINC000082924372 643388028 /nfs/dbraw/zinc/38/80/28/643388028.db2.gz OAGQMRHHBXXJCC-UHFFFAOYSA-N 2 1 223.324 0.954 10 0 BCAEMP CN(C)c1nc(NC[C@@H]([NH3+])C2CC2)cc[nH+]1 ZINC000082924650 643389082 /nfs/dbraw/zinc/38/90/82/643389082.db2.gz UVWGMIMYHHIVEE-SECBINFHSA-N 2 1 221.308 0.692 10 0 BCAEMP C[NH2+][C@](Cn1cc[nH+]c1C)(C(N)=O)C1CC1 ZINC000068943099 643433630 /nfs/dbraw/zinc/43/36/30/643433630.db2.gz MDLSUWIAPANSEU-NSHDSACASA-N 2 1 222.292 0.045 10 0 BCAEMP CCCc1[nH+]ccn1CC[C@@H]([NH2+]C)C(N)=O ZINC000069964566 643451247 /nfs/dbraw/zinc/45/12/47/643451247.db2.gz QRZXCGLMLLUOSP-SECBINFHSA-N 2 1 224.308 0.299 10 0 BCAEMP COC(=O)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702690 644165203 /nfs/dbraw/zinc/16/52/03/644165203.db2.gz MSOPCKSFJUHMGL-VIFPVBQESA-N 2 1 214.309 0.479 10 0 BCAEMP C(C[NH2+]C1CC1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000086932236 644293013 /nfs/dbraw/zinc/29/30/13/644293013.db2.gz MYGIUWBYEPTLRU-ZDUSSCGKSA-N 2 1 223.364 0.909 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847920 644643057 /nfs/dbraw/zinc/64/30/57/644643057.db2.gz FHKMRNHVQLSRMT-BPCQOVAHSA-N 2 1 244.379 0.974 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094447139 644717765 /nfs/dbraw/zinc/71/77/65/644717765.db2.gz RYRGPLUZRAKPGS-GRYCIOLGSA-N 2 1 239.363 0.809 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250581328 644766749 /nfs/dbraw/zinc/76/67/49/644766749.db2.gz JMILMWISPAMRHD-XQQFMLRXSA-N 2 1 244.379 0.974 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250581328 644766757 /nfs/dbraw/zinc/76/67/57/644766757.db2.gz JMILMWISPAMRHD-XQQFMLRXSA-N 2 1 244.379 0.974 10 0 BCAEMP C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250991501 644788442 /nfs/dbraw/zinc/78/84/42/644788442.db2.gz CKOKYCJXPXMSEQ-NEPJUHHUSA-N 2 1 209.337 0.518 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251839486 644826221 /nfs/dbraw/zinc/82/62/21/644826221.db2.gz QHRBJXSDGKURHV-IJLUTSLNSA-N 2 1 230.352 0.441 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544551 644864660 /nfs/dbraw/zinc/86/46/60/644864660.db2.gz IICFAUMZYBDPBP-QWRGUYRKSA-N 2 1 228.336 0.210 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544551 644864665 /nfs/dbraw/zinc/86/46/65/644864665.db2.gz IICFAUMZYBDPBP-QWRGUYRKSA-N 2 1 228.336 0.210 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252782855 644906922 /nfs/dbraw/zinc/90/69/22/644906922.db2.gz NOWWZHFKOCHRCL-QJPTWQEYSA-N 2 1 230.352 0.441 10 0 BCAEMP CCN1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1=O ZINC000722361006 711749006 /nfs/dbraw/zinc/74/90/06/711749006.db2.gz DXVCGGOSXZWRTO-LLVKDONJSA-N 2 1 225.336 0.339 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226124412 711830115 /nfs/dbraw/zinc/83/01/15/711830115.db2.gz NFJKWQVYGJBYNU-JHJVBQTASA-N 2 1 244.379 0.832 10 0 BCAEMP C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227374667 711832336 /nfs/dbraw/zinc/83/23/36/711832336.db2.gz CVJAJLZHVKBSSC-CHWSQXEVSA-N 2 1 223.364 0.909 10 0 BCAEMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585080 712854856 /nfs/dbraw/zinc/85/48/56/712854856.db2.gz VJMMCIDETCZBPJ-AEJSXWLSSA-N 2 1 223.324 0.736 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723895810 711544163 /nfs/dbraw/zinc/54/41/63/711544163.db2.gz ZTQUSOLHDWJLQY-JHJVBQTASA-N 2 1 244.379 0.689 10 0 BCAEMP Cc1cn(C)nc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000723980229 711550845 /nfs/dbraw/zinc/55/08/45/711550845.db2.gz HRKZNLBJAPRAFB-ONGXEEELSA-N 2 1 222.336 0.755 10 0 BCAEMP Cc1cn(C)nc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000723980229 711550847 /nfs/dbraw/zinc/55/08/47/711550847.db2.gz HRKZNLBJAPRAFB-ONGXEEELSA-N 2 1 222.336 0.755 10 0 BCAEMP CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708830377 712200102 /nfs/dbraw/zinc/20/01/02/712200102.db2.gz LZYCKTHJPXSTMH-JHJVBQTASA-N 2 1 244.379 0.691 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712565356 712446180 /nfs/dbraw/zinc/44/61/80/712446180.db2.gz XKVIRGUVFAZDMV-GFCCVEGCSA-N 2 1 244.379 0.846 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712565356 712446181 /nfs/dbraw/zinc/44/61/81/712446181.db2.gz XKVIRGUVFAZDMV-GFCCVEGCSA-N 2 1 244.379 0.846 10 0 BCAEMP NC(=O)C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000716682722 712569743 /nfs/dbraw/zinc/56/97/43/712569743.db2.gz DRVICHOOIYLWGY-ADPBJBESSA-N 2 1 237.347 0.467 10 0 BCAEMP NC(=O)C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000716683201 712570009 /nfs/dbraw/zinc/57/00/09/712570009.db2.gz HTDWCSZGDUDVNU-UHFFFAOYSA-N 2 1 237.347 0.467 10 0 BCAEMP NC(=O)C1CC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000716721225 712570660 /nfs/dbraw/zinc/57/06/60/712570660.db2.gz AIYVHAQDHMZJAR-MFIKCIHMSA-N 2 1 245.326 0.985 10 0 BCAEMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885187 712874601 /nfs/dbraw/zinc/87/46/01/712874601.db2.gz CWUDJIJBNBSRPB-SRVKXCTJSA-N 2 1 237.347 0.291 10 0 BCAEMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901467 712875747 /nfs/dbraw/zinc/87/57/47/712875747.db2.gz SALRTASNGGPNAT-MMVSWEMESA-N 2 1 237.347 0.419 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720905307 712876368 /nfs/dbraw/zinc/87/63/68/712876368.db2.gz ZGWIJQZXEMGTNN-SDDRHHMPSA-N 2 1 239.363 0.809 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720905310 712876329 /nfs/dbraw/zinc/87/63/29/712876329.db2.gz ZGWIJQZXEMGTNN-TUAOUCFPSA-N 2 1 239.363 0.809 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720897525 712876524 /nfs/dbraw/zinc/87/65/24/712876524.db2.gz HTKCPCDZEOIPMH-GMTAPVOTSA-N 2 1 225.336 0.289 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720897556 712876990 /nfs/dbraw/zinc/87/69/90/712876990.db2.gz HTKCPCDZEOIPMH-OUAUKWLOSA-N 2 1 225.336 0.289 10 0 BCAEMP C[NH+]1CCC(c2nc(C3([NH3+])CC3)no2)CC1 ZINC000721053688 712888150 /nfs/dbraw/zinc/88/81/50/712888150.db2.gz RZVSDJNNGIPGKV-UHFFFAOYSA-N 2 1 222.292 0.827 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)Cn1cnc(N)c1 ZINC000685964235 538910947 /nfs/dbraw/zinc/91/09/47/538910947.db2.gz STSJXUDNSKFHIR-VIFPVBQESA-N 2 1 212.297 0.166 10 0 BCAEMP Cc1cc(N2CC[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000050249507 178119586 /nfs/dbraw/zinc/11/95/86/178119586.db2.gz SXHVOURNACIKBT-SNVBAGLBSA-N 2 1 206.293 0.878 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](CCO)C1 ZINC000380102716 488173831 /nfs/dbraw/zinc/17/38/31/488173831.db2.gz XRGMTBHBUPABSA-QWHCGFSZSA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000380102716 488173837 /nfs/dbraw/zinc/17/38/37/488173837.db2.gz XRGMTBHBUPABSA-QWHCGFSZSA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000380102716 488173841 /nfs/dbraw/zinc/17/38/41/488173841.db2.gz XRGMTBHBUPABSA-QWHCGFSZSA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000380102716 488173845 /nfs/dbraw/zinc/17/38/45/488173845.db2.gz XRGMTBHBUPABSA-QWHCGFSZSA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000380102718 488173989 /nfs/dbraw/zinc/17/39/89/488173989.db2.gz XRGMTBHBUPABSA-STQMWFEESA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](CCO)C1 ZINC000380102718 488173972 /nfs/dbraw/zinc/17/39/72/488173972.db2.gz XRGMTBHBUPABSA-STQMWFEESA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000380102718 488173977 /nfs/dbraw/zinc/17/39/77/488173977.db2.gz XRGMTBHBUPABSA-STQMWFEESA-N 2 1 244.379 0.392 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000380102718 488173983 /nfs/dbraw/zinc/17/39/83/488173983.db2.gz XRGMTBHBUPABSA-STQMWFEESA-N 2 1 244.379 0.392 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])C(C)C ZINC000092629547 398235681 /nfs/dbraw/zinc/23/56/81/398235681.db2.gz MPAIKBUXONYRDA-VXGBXAGGSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH2+]C ZINC000092629604 398235782 /nfs/dbraw/zinc/23/57/82/398235782.db2.gz WBLLQMVUMVYPCV-NWDGAFQWSA-N 2 1 241.379 0.785 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]12 ZINC000381555681 398263303 /nfs/dbraw/zinc/26/33/03/398263303.db2.gz OMXRGFUWHXJHKY-IRCOFANPSA-N 3 1 209.337 0.265 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)C[C@@H]12 ZINC000381555681 398263306 /nfs/dbraw/zinc/26/33/06/398263306.db2.gz OMXRGFUWHXJHKY-IRCOFANPSA-N 2 1 209.337 0.265 10 0 BCAEMP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000231844310 342739965 /nfs/dbraw/zinc/73/99/65/342739965.db2.gz MQBFTKSGBZSCDA-GHMZBOCLSA-N 2 1 227.352 0.442 10 0 BCAEMP C[NH+]1CCN(c2ncc3n2CC[NH+]=C3)CC1 ZINC000145634511 342761332 /nfs/dbraw/zinc/76/13/32/342761332.db2.gz PQRXPRKQJCIBDN-UHFFFAOYSA-N 2 1 219.292 0.067 10 0 BCAEMP F[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000146016333 342764623 /nfs/dbraw/zinc/76/46/23/342764623.db2.gz CQVABQWSZBOBLN-ZJUUUORDSA-N 2 1 202.273 0.455 10 0 BCAEMP C[C@H](CC(N)=O)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381373904 538999360 /nfs/dbraw/zinc/99/93/60/538999360.db2.gz IIYLZZOZLWLQFA-BDAKNGLRSA-N 2 1 222.292 0.051 10 0 BCAEMP C[NH+](C)C[C@H]1COC[C@H]1[NH+]1CCC(CO)CC1 ZINC000725273978 539026873 /nfs/dbraw/zinc/02/68/73/539026873.db2.gz ZVEUBSAZMHRTCB-QWHCGFSZSA-N 2 1 242.363 0.267 10 0 BCAEMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC000309733749 342839493 /nfs/dbraw/zinc/83/94/93/342839493.db2.gz BUJAHXYBIVOHMC-LLVKDONJSA-N 3 1 215.341 0.036 10 0 BCAEMP CN(CCOCC[NH3+])[C@@H]1CCC[NH2+]CC1 ZINC000309733749 342839494 /nfs/dbraw/zinc/83/94/94/342839494.db2.gz BUJAHXYBIVOHMC-LLVKDONJSA-N 2 1 215.341 0.036 10 0 BCAEMP C[N@H+]1CCCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037623368 398333297 /nfs/dbraw/zinc/33/32/97/398333297.db2.gz NAIXVVVTEZXDEX-UHFFFAOYSA-N 2 1 239.363 0.668 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000037647129 398333636 /nfs/dbraw/zinc/33/36/36/398333636.db2.gz JMBLGEVCCCVLPR-UNXYVOJBSA-N 2 1 239.363 0.572 10 0 BCAEMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164629 537788870 /nfs/dbraw/zinc/78/88/70/537788870.db2.gz CZBABMNSVJVMCO-RYUDHWBXSA-N 2 1 212.337 0.974 10 0 BCAEMP C[N@H+]1CCC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000049474944 187270714 /nfs/dbraw/zinc/27/07/14/187270714.db2.gz MSBWTIVXWDEEBS-LLVKDONJSA-N 2 1 225.336 0.150 10 0 BCAEMP CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245200 187271672 /nfs/dbraw/zinc/27/16/72/187271672.db2.gz QEIPPBKZOVYRGJ-NEPJUHHUSA-N 2 1 241.379 0.770 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000054134633 187271997 /nfs/dbraw/zinc/27/19/97/187271997.db2.gz QEQFMECIIXMHLA-RYUDHWBXSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)C[NH2+]C1CCCC1 ZINC000054133586 187272371 /nfs/dbraw/zinc/27/23/71/187272371.db2.gz VFGBOFNPUHTKQG-UHFFFAOYSA-N 2 1 241.379 0.975 10 0 BCAEMP CCc1[nH+]c(C)cn1[C@@H](C)[C@H]([NH3+])C(N)=O ZINC000715144526 537865058 /nfs/dbraw/zinc/86/50/58/537865058.db2.gz JSWMHWAPZFYOSG-CBAPKCEASA-N 2 1 210.281 0.128 10 0 BCAEMP CCc1[nH+]c(C)cn1[C@H](C)[C@H]([NH3+])C(N)=O ZINC000715144523 537865087 /nfs/dbraw/zinc/86/50/87/537865087.db2.gz JSWMHWAPZFYOSG-APPZFPTMSA-N 2 1 210.281 0.128 10 0 BCAEMP CO[C@H](C)C[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000224540784 344944996 /nfs/dbraw/zinc/94/49/96/344944996.db2.gz GXTQWJCHSMTNPB-GHMZBOCLSA-N 2 1 200.326 0.953 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246160146 345250899 /nfs/dbraw/zinc/25/08/99/345250899.db2.gz LTFJBELSHVTYHV-SRVKXCTJSA-N 2 1 239.363 0.714 10 0 BCAEMP Cc1c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000634999497 345200568 /nfs/dbraw/zinc/20/05/68/345200568.db2.gz VJUWEGJLEIYUHB-ONGXEEELSA-N 2 1 222.336 0.755 10 0 BCAEMP Cn1cc[nH+]c1CCC1=C[C@H](O)C[NH2+]C1 ZINC000675076892 537892590 /nfs/dbraw/zinc/89/25/90/537892590.db2.gz GUIJPTMGEAMVIO-JTQLQIEISA-N 2 1 207.277 0.243 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000248489329 345403546 /nfs/dbraw/zinc/40/35/46/345403546.db2.gz MVTGNCMHQOYDFT-VWYCJHECSA-N 2 1 227.352 0.570 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248492925 345403733 /nfs/dbraw/zinc/40/37/33/345403733.db2.gz OYBDNQWGXVSUFJ-SDDRHHMPSA-N 2 1 241.379 0.912 10 0 BCAEMP C[NH+]1CCN(c2nc3c(s2)C[NH2+]CC3)CC1 ZINC000221531285 345735833 /nfs/dbraw/zinc/73/58/33/345735833.db2.gz LRENKMBQEYRQNK-UHFFFAOYSA-N 2 1 238.360 0.541 10 0 BCAEMP Cc1[nH+]ccn1[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800205 537923713 /nfs/dbraw/zinc/92/37/13/537923713.db2.gz IHNXAIDRLIKQQV-XCBNKYQSSA-N 2 1 210.281 0.345 10 0 BCAEMP Cc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800207 537924377 /nfs/dbraw/zinc/92/43/77/537924377.db2.gz IHNXAIDRLIKQQV-OIBJUYFYSA-N 2 1 210.281 0.345 10 0 BCAEMP C[NH+](C)[C@@H]1CCN(CC(F)(F)C[NH3+])C1 ZINC000308622409 537967218 /nfs/dbraw/zinc/96/72/18/537967218.db2.gz WYERMFOCYDECSQ-MRVPVSSYSA-N 2 1 207.268 0.216 10 0 BCAEMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC[NH3+] ZINC000050523366 179047371 /nfs/dbraw/zinc/04/73/71/179047371.db2.gz UANBFSIGQUETHY-LBPRGKRZSA-N 2 1 238.331 0.591 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000725241443 537979622 /nfs/dbraw/zinc/97/96/22/537979622.db2.gz FLHQBORWELORDF-UPJWGTAASA-N 2 1 223.364 0.907 10 0 BCAEMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000641797554 362743234 /nfs/dbraw/zinc/74/32/34/362743234.db2.gz FJOWECFSLJWAHF-JMJZKYOTSA-N 2 1 237.303 0.852 10 0 BCAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000641797554 362743238 /nfs/dbraw/zinc/74/32/38/362743238.db2.gz FJOWECFSLJWAHF-JMJZKYOTSA-N 2 1 237.303 0.852 10 0 BCAEMP COC(=O)CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000601323671 347203572 /nfs/dbraw/zinc/20/35/72/347203572.db2.gz DFKVYFAGPYJDKS-JTQLQIEISA-N 2 1 214.309 0.753 10 0 BCAEMP COC(=O)CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000601323671 347203575 /nfs/dbraw/zinc/20/35/75/347203575.db2.gz DFKVYFAGPYJDKS-JTQLQIEISA-N 2 1 214.309 0.753 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325470 347207324 /nfs/dbraw/zinc/20/73/24/347207324.db2.gz CTXYITVUWVUQHN-BDAKNGLRSA-N 2 1 200.282 0.076 10 0 BCAEMP CN(C)[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250338226 362800002 /nfs/dbraw/zinc/80/00/02/362800002.db2.gz AVEHEQOGFLIYCX-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335213 347228569 /nfs/dbraw/zinc/22/85/69/347228569.db2.gz ROJLYMPAYVUYAB-QWRGUYRKSA-N 2 1 226.320 0.623 10 0 BCAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2CCOCO2)C1 ZINC000250821507 362823113 /nfs/dbraw/zinc/82/31/13/362823113.db2.gz GGIDJBOQDRMPEF-VHSXEESVSA-N 2 1 200.282 0.030 10 0 BCAEMP CS[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000591835645 347703261 /nfs/dbraw/zinc/70/32/61/347703261.db2.gz ZHLRAUZUVWSGRE-NWDGAFQWSA-N 2 1 244.404 0.927 10 0 BCAEMP [NH3+]CCCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000070202562 349976908 /nfs/dbraw/zinc/97/69/08/349976908.db2.gz AHFUKAIPPNOGEZ-LBPRGKRZSA-N 2 1 239.363 0.812 10 0 BCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251879807 349192679 /nfs/dbraw/zinc/19/26/79/349192679.db2.gz URRDCOOUUWGDML-MNOVXSKESA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251879807 349192680 /nfs/dbraw/zinc/19/26/80/349192680.db2.gz URRDCOOUUWGDML-MNOVXSKESA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000219973523 350153846 /nfs/dbraw/zinc/15/38/46/350153846.db2.gz AFAMWWNVPPTESJ-CKYFFXLPSA-N 2 1 239.363 0.441 10 0 BCAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CN2CCC1CC2 ZINC000049329978 180262515 /nfs/dbraw/zinc/26/25/15/180262515.db2.gz JFWMBYLPCMBAAQ-ZDUSSCGKSA-N 2 1 234.347 0.875 10 0 BCAEMP Cc1[nH+]cn(CCN2CC[NH2+]CC2)c1C ZINC000051927080 180287063 /nfs/dbraw/zinc/28/70/63/180287063.db2.gz SKLDEPWKKUEJMZ-UHFFFAOYSA-N 2 1 208.309 0.405 10 0 BCAEMP C[C@@](O)(C[NH3+])C[N@H+]1CCCSCC1 ZINC000306683607 350841076 /nfs/dbraw/zinc/84/10/76/350841076.db2.gz WNOQRYSBBZRLCL-SECBINFHSA-N 2 1 204.339 0.135 10 0 BCAEMP Nc1[nH+]cccc1C1CCN(CC[NH3+])CC1 ZINC000616619127 350926936 /nfs/dbraw/zinc/92/69/36/350926936.db2.gz FGJGMJDVCYBCQR-UHFFFAOYSA-N 2 1 220.320 0.802 10 0 BCAEMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306761910 350987790 /nfs/dbraw/zinc/98/77/90/350987790.db2.gz GHZDSTSBLWNSOD-KGLIPLIRSA-N 2 1 232.327 0.700 10 0 BCAEMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306761910 350987791 /nfs/dbraw/zinc/98/77/91/350987791.db2.gz GHZDSTSBLWNSOD-KGLIPLIRSA-N 2 1 232.327 0.700 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079519350 351071096 /nfs/dbraw/zinc/07/10/96/351071096.db2.gz QLNVQEHFLSINAV-YPMHNXCESA-N 2 1 239.363 0.729 10 0 BCAEMP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(N)=[NH2+] ZINC000307233577 351702290 /nfs/dbraw/zinc/70/22/90/351702290.db2.gz MAAJVKIRLSTUTN-JTQLQIEISA-N 2 1 220.320 0.990 10 0 BCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(N)=[NH2+] ZINC000307233577 351702291 /nfs/dbraw/zinc/70/22/91/351702291.db2.gz MAAJVKIRLSTUTN-JTQLQIEISA-N 2 1 220.320 0.990 10 0 BCAEMP [NH3+]C[C@H](O)CNc1cc[nH+]cc1Br ZINC000307255535 351789993 /nfs/dbraw/zinc/78/99/93/351789993.db2.gz ZODIKMHRWYUXSN-LURJTMIESA-N 2 1 246.108 0.576 10 0 BCAEMP C[C@H](O)C[N@@H+](C)C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725269638 538101711 /nfs/dbraw/zinc/10/17/11/538101711.db2.gz BJRXMLSOUFPATE-UZEXVOJHSA-N 2 1 212.337 0.959 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638117422 351993286 /nfs/dbraw/zinc/99/32/86/351993286.db2.gz UMPKMPNYSWSFHJ-WXHSDQCUSA-N 2 1 249.358 0.729 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[NH3+] ZINC000083889418 352049968 /nfs/dbraw/zinc/04/99/68/352049968.db2.gz RTPNTKDUAHJUPZ-SNVBAGLBSA-N 2 1 227.352 0.666 10 0 BCAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)CC(C)C ZINC000725272131 538103956 /nfs/dbraw/zinc/10/39/56/538103956.db2.gz HRXXRHSWQNKHFS-UHFFFAOYSA-N 2 1 211.309 0.883 10 0 BCAEMP CCCC[N@H+](CCO)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273784 538104940 /nfs/dbraw/zinc/10/49/40/538104940.db2.gz GKJGGNXATLMTJR-CHWSQXEVSA-N 2 1 244.379 0.657 10 0 BCAEMP CCCC[N@@H+](CCO)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273784 538104941 /nfs/dbraw/zinc/10/49/41/538104941.db2.gz GKJGGNXATLMTJR-CHWSQXEVSA-N 2 1 244.379 0.657 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000042549119 188293868 /nfs/dbraw/zinc/29/38/68/188293868.db2.gz DMAVTOSTYANINQ-STQMWFEESA-N 2 1 247.342 0.377 10 0 BCAEMP C[NH2+]CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000193137123 353572072 /nfs/dbraw/zinc/57/20/72/353572072.db2.gz NOFWXJQUPAPFBA-LLVKDONJSA-N 2 1 227.352 0.442 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062898884 353573399 /nfs/dbraw/zinc/57/33/99/353573399.db2.gz CVTXZLYHMCHHKH-WCQYABFASA-N 2 1 239.363 0.587 10 0 BCAEMP NC(=[NH2+])c1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000042432924 181195859 /nfs/dbraw/zinc/19/58/59/181195859.db2.gz GKVIZIMYPOXICD-LLVKDONJSA-N 2 1 233.315 0.927 10 0 BCAEMP NC(=O)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000043326958 181216693 /nfs/dbraw/zinc/21/66/93/181216693.db2.gz NIRHPEBHLSWQQG-VQXHTEKXSA-N 2 1 225.336 0.372 10 0 BCAEMP NC(=O)C1CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000040431147 181218105 /nfs/dbraw/zinc/21/81/05/181218105.db2.gz MHPQGWMFHPHOEA-NXEZZACHSA-N 2 1 211.309 0.064 10 0 BCAEMP NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360131 181224200 /nfs/dbraw/zinc/22/42/00/181224200.db2.gz OMDUHKJXQWONHA-UWVGGRQHSA-N 2 1 211.309 0.078 10 0 BCAEMP NC(=O)CC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360131 181224204 /nfs/dbraw/zinc/22/42/04/181224204.db2.gz OMDUHKJXQWONHA-UWVGGRQHSA-N 2 1 211.309 0.078 10 0 BCAEMP COc1ncccc1[C@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000675073668 538506313 /nfs/dbraw/zinc/50/63/13/538506313.db2.gz SMOUNVKYEOYOGU-PSASIEDQSA-N 2 1 207.277 0.494 10 0 BCAEMP COc1ncccc1[C@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000675073669 538506635 /nfs/dbraw/zinc/50/66/35/538506635.db2.gz SMOUNVKYEOYOGU-SCZZXKLOSA-N 2 1 207.277 0.494 10 0 BCAEMP CCC[N@@H+](CC)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675074997 538508084 /nfs/dbraw/zinc/50/80/84/538508084.db2.gz FILZHWCLMDMYHF-JTQLQIEISA-N 2 1 226.320 0.623 10 0 BCAEMP O=C(CC[NH2+]C1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812677 357204030 /nfs/dbraw/zinc/20/40/30/357204030.db2.gz XOXNAPUSNMAYOB-GFCCVEGCSA-N 2 1 237.347 0.435 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1N1CC[NH+](C)CC1 ZINC000685950533 538894016 /nfs/dbraw/zinc/89/40/16/538894016.db2.gz AWYRKTDPNSTWEB-GDNZZTSVSA-N 2 1 211.353 0.478 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCOC[C@@H]1C ZINC000685951432 538895449 /nfs/dbraw/zinc/89/54/49/538895449.db2.gz UHFROZQLOFAVNB-MXWKQRLJSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCOC[C@@H]1C ZINC000685951432 538895451 /nfs/dbraw/zinc/89/54/51/538895451.db2.gz UHFROZQLOFAVNB-MXWKQRLJSA-N 2 1 212.337 0.951 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH2+]C)C1CC1 ZINC000219907177 358010737 /nfs/dbraw/zinc/01/07/37/358010737.db2.gz SLESAXKRLIISID-SECBINFHSA-N 2 1 213.325 0.195 10 0 BCAEMP C1CC1[N@H+]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168742086 134247837 /nfs/dbraw/zinc/24/78/37/134247837.db2.gz XRAGHHIXYQXNAA-VXGBXAGGSA-N 2 1 223.364 0.955 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624502 358243875 /nfs/dbraw/zinc/24/38/75/358243875.db2.gz BWVKWBPMZUUGLP-RYUDHWBXSA-N 2 1 241.379 0.960 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227083740 358349314 /nfs/dbraw/zinc/34/93/14/358349314.db2.gz QLNVQEHFLSINAV-WCQYABFASA-N 2 1 239.363 0.729 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227432766 358357683 /nfs/dbraw/zinc/35/76/83/358357683.db2.gz UFPKXUKDCPAQTK-ZYHUDNBSSA-N 2 1 225.336 0.339 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531303 358389737 /nfs/dbraw/zinc/38/97/37/358389737.db2.gz MQFRTFRPYLNHBX-SECBINFHSA-N 2 1 200.282 0.220 10 0 BCAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cnn(C)c1C ZINC000629655457 361560053 /nfs/dbraw/zinc/56/00/53/361560053.db2.gz XAFKMZBKCXZFTN-UHFFFAOYSA-N 2 1 240.351 0.396 10 0 BCAEMP Cc1c(C[N@@H+](C)CCOCC[NH3+])cnn1C ZINC000629663896 361595824 /nfs/dbraw/zinc/59/58/24/361595824.db2.gz MWBUTRBHLRUURS-UHFFFAOYSA-N 2 1 226.324 0.136 10 0 BCAEMP Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000132992731 541326277 /nfs/dbraw/zinc/32/62/77/541326277.db2.gz KKINFMHLDANQFY-KOLCDFICSA-N 2 1 236.319 0.646 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711829 181358816 /nfs/dbraw/zinc/35/88/16/181358816.db2.gz YFDQFUUKZJFNLW-NSHDSACASA-N 2 1 212.337 0.962 10 0 BCAEMP [NH3+]CCCOCCNc1[nH]c2ccccc2[nH+]1 ZINC000630534864 364229597 /nfs/dbraw/zinc/22/95/97/364229597.db2.gz PWSFQGQTOQQMDX-UHFFFAOYSA-N 2 1 234.303 0.762 10 0 BCAEMP CC[C@](C)(C[NH2+]C1CC[NH+](CCO)CC1)OC ZINC000399004805 364692273 /nfs/dbraw/zinc/69/22/73/364692273.db2.gz WUFNREWYPYJAEE-CYBMUJFWSA-N 2 1 244.379 0.848 10 0 BCAEMP [NH3+]CCC[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000037713360 181383032 /nfs/dbraw/zinc/38/30/32/181383032.db2.gz GXFVBTCCPJDKBP-SNVBAGLBSA-N 2 1 208.261 0.764 10 0 BCAEMP [NH3+]CCNC(=O)C[N@H+]1CCCc2ccccc2C1 ZINC000062944354 181393933 /nfs/dbraw/zinc/39/39/33/181393933.db2.gz CKFYAHFHJMIXEZ-UHFFFAOYSA-N 2 1 247.342 0.510 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CS1 ZINC000399082642 365394927 /nfs/dbraw/zinc/39/49/27/365394927.db2.gz SLUPWCNEJDOSEM-ZYHUDNBSSA-N 2 1 244.404 0.927 10 0 BCAEMP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184112144 367064744 /nfs/dbraw/zinc/06/47/44/367064744.db2.gz FYIWXBHSBCTQCJ-SNVBAGLBSA-N 2 1 246.314 0.465 10 0 BCAEMP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000184112144 367064746 /nfs/dbraw/zinc/06/47/46/367064746.db2.gz FYIWXBHSBCTQCJ-SNVBAGLBSA-N 2 1 246.314 0.465 10 0 BCAEMP OC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280559 367945064 /nfs/dbraw/zinc/94/50/64/367945064.db2.gz QWAHYABEWRMALP-NEPJUHHUSA-N 2 1 212.337 0.879 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH3+])C[C@H]1C ZINC000253075405 368471566 /nfs/dbraw/zinc/47/15/66/368471566.db2.gz QKJZKQGNKUISMN-MXWKQRLJSA-N 2 1 200.326 0.674 10 0 BCAEMP C[C@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631839838 369184739 /nfs/dbraw/zinc/18/47/39/369184739.db2.gz LMMWPGMQCPSNNM-QWRGUYRKSA-N 2 1 248.392 0.338 10 0 BCAEMP C[C@H]1C[N@@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631839838 369184742 /nfs/dbraw/zinc/18/47/42/369184742.db2.gz LMMWPGMQCPSNNM-QWRGUYRKSA-N 2 1 248.392 0.338 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000631841757 369358533 /nfs/dbraw/zinc/35/85/33/369358533.db2.gz PHODGROSMMTJIE-GWCFXTLKSA-N 2 1 247.342 0.812 10 0 BCAEMP CC[C@@H]1C[N@@H+](CCC(=O)OC)CC[C@H]1[NH3+] ZINC000251682794 369897284 /nfs/dbraw/zinc/89/72/84/369897284.db2.gz HZPFONREHPBIBQ-NXEZZACHSA-N 2 1 214.309 0.609 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000308486576 370138015 /nfs/dbraw/zinc/13/80/15/370138015.db2.gz OKSUSPYWZRRWIZ-SNVBAGLBSA-N 2 1 200.282 0.220 10 0 BCAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@@](N)(C(N)=O)C1 ZINC000225515971 371000314 /nfs/dbraw/zinc/00/03/14/371000314.db2.gz ZERVHBFNAFVTAO-ONGXEEELSA-N 2 1 211.309 0.206 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC[N@@H+]1C ZINC000624236641 371425118 /nfs/dbraw/zinc/42/51/18/371425118.db2.gz HEHSZGVQWXEMCX-WYUUTHIRSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC[C@@H]2O)CC[N@H+]1C ZINC000624236641 371425122 /nfs/dbraw/zinc/42/51/22/371425122.db2.gz HEHSZGVQWXEMCX-WYUUTHIRSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000227485011 371873470 /nfs/dbraw/zinc/87/34/70/371873470.db2.gz IMFDRVVYKIDLQV-RCWTZXSCSA-N 2 1 200.326 0.815 10 0 BCAEMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000227485011 371873474 /nfs/dbraw/zinc/87/34/74/371873474.db2.gz IMFDRVVYKIDLQV-RCWTZXSCSA-N 2 1 200.326 0.815 10 0 BCAEMP C[C@H](C[NH3+])[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000227581044 371900301 /nfs/dbraw/zinc/90/03/01/371900301.db2.gz CPDSNCBDVQCWMQ-XNWIYYODSA-N 2 1 243.351 0.979 10 0 BCAEMP C[NH+](CCC[NH3+])CCCC[N@@H+](C)CCC[NH3+] ZINC000139957112 372302112 /nfs/dbraw/zinc/30/21/12/372302112.db2.gz VCYSCRLAZCOBBO-UHFFFAOYSA-N 4 1 230.400 0.328 10 0 BCAEMP C[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000631837739 372629532 /nfs/dbraw/zinc/62/95/32/372629532.db2.gz DSMXOYCIZOHLEP-PWSUYJOCSA-N 2 1 222.336 0.489 10 0 BCAEMP C[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000631838348 372632475 /nfs/dbraw/zinc/63/24/75/372632475.db2.gz MTGKWWWZHARFAT-MNOVXSKESA-N 2 1 208.309 0.410 10 0 BCAEMP CCOCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839192 372634686 /nfs/dbraw/zinc/63/46/86/372634686.db2.gz BQOKTBCBSJQOAW-MNOVXSKESA-N 2 1 200.326 0.940 10 0 BCAEMP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843441 372640963 /nfs/dbraw/zinc/64/09/63/372640963.db2.gz NSZHXYINTWHVFM-UTLUCORTSA-N 2 1 225.336 0.180 10 0 BCAEMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843438 372641343 /nfs/dbraw/zinc/64/13/43/372641343.db2.gz NSZHXYINTWHVFM-BBBLOLIVSA-N 2 1 225.336 0.180 10 0 BCAEMP C[C@H]1CCC[C@@H](C[NH3+])[N@@H+]1CC(C)(C)O ZINC000069722917 373653076 /nfs/dbraw/zinc/65/30/76/373653076.db2.gz ODRGMKGGYRTEKX-UWVGGRQHSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H]1CCC[C@@H](C[NH3+])[N@H+]1CC(C)(C)O ZINC000069722917 373653086 /nfs/dbraw/zinc/65/30/86/373653086.db2.gz ODRGMKGGYRTEKX-UWVGGRQHSA-N 2 1 200.326 0.959 10 0 BCAEMP OCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917711 183055300 /nfs/dbraw/zinc/05/53/00/183055300.db2.gz YPBFTFSJSRGUNH-RYUDHWBXSA-N 2 1 212.337 0.833 10 0 BCAEMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000037619606 169008317 /nfs/dbraw/zinc/00/83/17/169008317.db2.gz FYNUHFFKMGPEOB-QJPTWQEYSA-N 2 1 239.363 0.857 10 0 BCAEMP OCC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000162334851 183098104 /nfs/dbraw/zinc/09/81/04/183098104.db2.gz MNTKKDIXLGOJTP-GFCCVEGCSA-N 2 1 212.337 0.690 10 0 BCAEMP CCC[N@@H+](CC(=O)N(C)C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000042420576 169093852 /nfs/dbraw/zinc/09/38/52/169093852.db2.gz GIFIQFGIFJLWHW-NEPJUHHUSA-N 2 1 241.379 0.914 10 0 BCAEMP CCC[N@H+](CCC[NH3+])CC(=O)NCCCOC ZINC000049282679 169155324 /nfs/dbraw/zinc/15/53/24/169155324.db2.gz YDIPCIVCGXKEKL-UHFFFAOYSA-N 2 1 245.367 0.200 10 0 BCAEMP CCC[N@@H+](CCC[NH3+])CC(=O)NCCCOC ZINC000049282679 169155326 /nfs/dbraw/zinc/15/53/26/169155326.db2.gz YDIPCIVCGXKEKL-UHFFFAOYSA-N 2 1 245.367 0.200 10 0 BCAEMP CCC[N@@H+](CC[C@@H](C[NH3+])OCC)CC(=O)OC ZINC000103926868 169170888 /nfs/dbraw/zinc/17/08/88/169170888.db2.gz PUTLZLQOIPFJGQ-NSHDSACASA-N 2 1 246.351 0.625 10 0 BCAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC000037224635 169194331 /nfs/dbraw/zinc/19/43/31/169194331.db2.gz UWDMMAQDASMQHQ-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC000037224635 169194333 /nfs/dbraw/zinc/19/43/33/169194333.db2.gz UWDMMAQDASMQHQ-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C(N)=O)C1 ZINC000035792362 169194852 /nfs/dbraw/zinc/19/48/52/169194852.db2.gz OFKMPAXLSAAIQA-GRYCIOLGSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C(N)=O)C1 ZINC000035792362 169194853 /nfs/dbraw/zinc/19/48/53/169194853.db2.gz OFKMPAXLSAAIQA-GRYCIOLGSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062889598 169201797 /nfs/dbraw/zinc/20/17/97/169201797.db2.gz ZDSQKWWLZOQASA-ZDUSSCGKSA-N 2 1 239.363 0.540 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062889597 169202164 /nfs/dbraw/zinc/20/21/64/169202164.db2.gz ZDSQKWWLZOQASA-CYBMUJFWSA-N 2 1 239.363 0.540 10 0 BCAEMP CCCNC(=O)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062072207 169226549 /nfs/dbraw/zinc/22/65/49/169226549.db2.gz CIZGSXHMFJQENT-LBPRGKRZSA-N 2 1 241.379 0.834 10 0 BCAEMP CCC[NH2+]CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378579 169255639 /nfs/dbraw/zinc/25/56/39/169255639.db2.gz WJHCNBSOCRBHAK-UHFFFAOYSA-N 2 1 241.379 0.977 10 0 BCAEMP CCC[NH2+]C[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000104414699 169264815 /nfs/dbraw/zinc/26/48/15/169264815.db2.gz VKIMZEDOERZRPN-CYBMUJFWSA-N 2 1 244.379 0.707 10 0 BCAEMP CCC[NH2+]C[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000104414699 169264816 /nfs/dbraw/zinc/26/48/16/169264816.db2.gz VKIMZEDOERZRPN-CYBMUJFWSA-N 2 1 244.379 0.707 10 0 BCAEMP 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/nfs/dbraw/zinc/80/69/95/386806995.db2.gz FFTBSRQPGHBHLM-VXGBXAGGSA-N 2 1 244.379 0.392 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncnn3C2)CC[N@@H+]1C ZINC000246376048 387080489 /nfs/dbraw/zinc/08/04/89/387080489.db2.gz JRCBSDAJKHSHOV-WOPDTQHZSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncnn3C2)CC[N@H+]1C ZINC000246376048 387080491 /nfs/dbraw/zinc/08/04/91/387080491.db2.gz JRCBSDAJKHSHOV-WOPDTQHZSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423396609 387231836 /nfs/dbraw/zinc/23/18/36/387231836.db2.gz UIGVRVWJLONNLF-KXNHARMFSA-N 2 1 211.353 0.667 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423396614 387232835 /nfs/dbraw/zinc/23/28/35/387232835.db2.gz UIGVRVWJLONNLF-WYUUTHIRSA-N 2 1 211.353 0.667 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645687121 387273565 /nfs/dbraw/zinc/27/35/65/387273565.db2.gz MUTMBMNSPXDECX-WDEREUQCSA-N 2 1 239.363 0.585 10 0 BCAEMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C2)C1 ZINC000422972046 387820512 /nfs/dbraw/zinc/82/05/12/387820512.db2.gz KKRFFTQLSBQQPK-NEPJUHHUSA-N 2 1 211.353 0.670 10 0 BCAEMP CC[C@H](COC)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151335426 387822651 /nfs/dbraw/zinc/82/26/51/387822651.db2.gz ZMYHYVBNEGHQTD-OLZOCXBDSA-N 2 1 244.379 0.848 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392923992 387815240 /nfs/dbraw/zinc/81/52/40/387815240.db2.gz POQQDXXWVRNVNV-NSHDSACASA-N 2 1 225.336 0.492 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195337720 387918644 /nfs/dbraw/zinc/91/86/44/387918644.db2.gz WPYSQOWCMUCNQT-GFCCVEGCSA-N 2 1 239.363 0.633 10 0 BCAEMP C[NH2+]C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000085432081 388087986 /nfs/dbraw/zinc/08/79/86/388087986.db2.gz IGRVWYDJZHYZHS-LLVKDONJSA-N 2 1 249.362 0.978 10 0 BCAEMP C(C1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000086932592 388111546 /nfs/dbraw/zinc/11/15/46/388111546.db2.gz SYBBDNJPGXXKPJ-ZDUSSCGKSA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@@H]1COC[C@@H](C)[NH+]1CCN1CC[NH2+]CC1 ZINC000573001468 388404985 /nfs/dbraw/zinc/40/49/85/388404985.db2.gz QHYUTZWQJLKGQW-VXGBXAGGSA-N 2 1 227.352 0.001 10 0 BCAEMP CO[C@@H]1C[C@H](CO)[N@H+](CCn2cc[nH+]c2C)C1 ZINC000344725108 388508435 /nfs/dbraw/zinc/50/84/35/388508435.db2.gz SCJVNPLRFCWUHG-VXGBXAGGSA-N 2 1 239.319 0.273 10 0 BCAEMP CO[C@@H]1C[C@H](CO)[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000344725108 388508439 /nfs/dbraw/zinc/50/84/39/388508439.db2.gz SCJVNPLRFCWUHG-VXGBXAGGSA-N 2 1 239.319 0.273 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@H]12 ZINC000261551853 388642975 /nfs/dbraw/zinc/64/29/75/388642975.db2.gz MKVINDAILPDHFN-QJPTWQEYSA-N 2 1 237.347 0.182 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@H]12 ZINC000261551853 388642979 /nfs/dbraw/zinc/64/29/79/388642979.db2.gz MKVINDAILPDHFN-QJPTWQEYSA-N 2 1 237.347 0.182 10 0 BCAEMP c1[nH]c2ccc(N3CC[NH2+]CC3)cc2[nH+]1 ZINC000034451033 132336458 /nfs/dbraw/zinc/33/64/58/132336458.db2.gz BYRZMVHZMLASEL-UHFFFAOYSA-N 2 1 202.261 0.973 10 0 BCAEMP CC[C@H](CC[NH3+])[NH+]1CCN(c2ncccn2)CC1 ZINC000036677528 132342269 /nfs/dbraw/zinc/34/22/69/132342269.db2.gz MEYGFWNTDOKCHR-GFCCVEGCSA-N 2 1 249.362 0.726 10 0 BCAEMP NC(=[NH2+])CC[NH+]1CCN(c2ccccn2)CC1 ZINC000038971099 132346350 /nfs/dbraw/zinc/34/63/50/132346350.db2.gz KHPYRLHULCSRAR-UHFFFAOYSA-N 2 1 233.319 0.530 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCOCC[NH3+] ZINC000086932856 135103123 /nfs/dbraw/zinc/10/31/23/135103123.db2.gz UWDCYZNRRHBKCC-VXGBXAGGSA-N 2 1 227.352 0.130 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000257784904 135142031 /nfs/dbraw/zinc/14/20/31/135142031.db2.gz LHIIHNZMRSXOFE-SNVBAGLBSA-N 2 1 225.336 0.196 10 0 BCAEMP CC1(C)C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261545440 135148550 /nfs/dbraw/zinc/14/85/50/135148550.db2.gz JZOBFWKSMRUWJX-QWRGUYRKSA-N 2 1 212.337 0.689 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccsc1 ZINC000261528301 135153491 /nfs/dbraw/zinc/15/34/91/135153491.db2.gz MLFYOQWXTAZFJH-UWVGGRQHSA-N 2 1 212.318 0.418 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]12 ZINC000261532011 135161732 /nfs/dbraw/zinc/16/17/32/135161732.db2.gz ISNXHPUIOQQBPL-WISYIIOYSA-N 2 1 210.321 0.692 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261537991 135175445 /nfs/dbraw/zinc/17/54/45/135175445.db2.gz WZWMVDJHMPTEFK-GUBZILKMSA-N 2 1 212.293 0.219 10 0 BCAEMP COCC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261538497 135176169 /nfs/dbraw/zinc/17/61/69/135176169.db2.gz YHFLVAQUMTWXSK-ZJUUUORDSA-N 2 1 200.326 0.938 10 0 BCAEMP COCC(C)(C)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261538497 135176170 /nfs/dbraw/zinc/17/61/70/135176170.db2.gz YHFLVAQUMTWXSK-ZJUUUORDSA-N 2 1 200.326 0.938 10 0 BCAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261539525 135177731 /nfs/dbraw/zinc/17/77/31/135177731.db2.gz CRGKPRFYMROVID-ZYHUDNBSSA-N 3 1 211.353 0.798 10 0 BCAEMP C[C@@H]1[C@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261539525 135177732 /nfs/dbraw/zinc/17/77/32/135177732.db2.gz CRGKPRFYMROVID-ZYHUDNBSSA-N 2 1 211.353 0.798 10 0 BCAEMP C[C@@H]1[C@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261539525 135177733 /nfs/dbraw/zinc/17/77/33/135177733.db2.gz CRGKPRFYMROVID-ZYHUDNBSSA-N 2 1 211.353 0.798 10 0 BCAEMP C[C@@H]1[C@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000261539525 135177734 /nfs/dbraw/zinc/17/77/34/135177734.db2.gz CRGKPRFYMROVID-ZYHUDNBSSA-N 2 1 211.353 0.798 10 0 BCAEMP Cc1cnn(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261565841 135207551 /nfs/dbraw/zinc/20/75/51/135207551.db2.gz YORJQCWYAQUCTK-YNEHKIRRSA-N 2 1 234.347 0.861 10 0 BCAEMP C[C@H]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000163965671 135209549 /nfs/dbraw/zinc/20/95/49/135209549.db2.gz WWGWXLUIJMERQE-QWRGUYRKSA-N 2 1 249.362 0.964 10 0 BCAEMP C[C@@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c(N(C)C)n1 ZINC000261568857 135211121 /nfs/dbraw/zinc/21/11/21/135211121.db2.gz FWNPFTHIIXBXNG-BDAKNGLRSA-N 2 1 221.308 0.469 10 0 BCAEMP COCCOCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261568895 135211585 /nfs/dbraw/zinc/21/15/85/135211585.db2.gz FXVOVWMLIJARHZ-NSHDSACASA-N 2 1 230.352 0.709 10 0 BCAEMP CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261575881 135217645 /nfs/dbraw/zinc/21/76/45/135217645.db2.gz JZFRBCFCMLCGFK-GARJFASQSA-N 2 1 225.336 0.182 10 0 BCAEMP CCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261575881 135217646 /nfs/dbraw/zinc/21/76/46/135217646.db2.gz JZFRBCFCMLCGFK-GARJFASQSA-N 2 1 225.336 0.182 10 0 BCAEMP CC1(C)C[N@@H+](CCn2cccn2)CC[C@H]1[NH3+] ZINC000261588673 135229131 /nfs/dbraw/zinc/22/91/31/135229131.db2.gz SOALQJGAWMECGB-LLVKDONJSA-N 2 1 222.336 0.942 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261746150 135249031 /nfs/dbraw/zinc/24/90/31/135249031.db2.gz JCGRVUJUUQGFAZ-CMPLNLGQSA-N 2 1 225.336 0.196 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261746150 135249032 /nfs/dbraw/zinc/24/90/32/135249032.db2.gz JCGRVUJUUQGFAZ-CMPLNLGQSA-N 2 1 225.336 0.196 10 0 BCAEMP COCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000261790459 135253572 /nfs/dbraw/zinc/25/35/72/135253572.db2.gz GEBHWTQKLRJDGI-QWHCGFSZSA-N 2 1 242.363 0.723 10 0 BCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261870510 135259237 /nfs/dbraw/zinc/25/92/37/135259237.db2.gz QMSRYGQUVCEDNV-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000261948631 135265347 /nfs/dbraw/zinc/26/53/47/135265347.db2.gz NPXQPWDPPJFLKZ-IJLUTSLNSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000261948631 135265348 /nfs/dbraw/zinc/26/53/48/135265348.db2.gz NPXQPWDPPJFLKZ-IJLUTSLNSA-N 2 1 239.363 0.572 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262261265 135288369 /nfs/dbraw/zinc/28/83/69/135288369.db2.gz RHEILMKVYQLWIW-LBPRGKRZSA-N 2 1 239.363 0.811 10 0 BCAEMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262689184 135314175 /nfs/dbraw/zinc/31/41/75/135314175.db2.gz FLOOSYBCKKYXHG-YUMQZZPRSA-N 2 1 235.278 0.214 10 0 BCAEMP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263128142 135334575 /nfs/dbraw/zinc/33/45/75/135334575.db2.gz BLJCZWHDXRDNPH-UWVGGRQHSA-N 2 1 241.360 0.430 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263182083 135337865 /nfs/dbraw/zinc/33/78/65/135337865.db2.gz GWMKLNWEEYYIMI-NWDGAFQWSA-N 2 1 221.304 0.060 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000263224750 135341076 /nfs/dbraw/zinc/34/10/76/135341076.db2.gz MQAYMPPGMXEZHU-JQWIXIFHSA-N 2 1 224.279 0.496 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000263242349 135341593 /nfs/dbraw/zinc/34/15/93/135341593.db2.gz OTRXARVXCOVGFO-KMEUXCNSSA-N 2 1 232.327 0.870 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263306142 135345674 /nfs/dbraw/zinc/34/56/74/135345674.db2.gz XWZQZVYPAUHCPB-WCQYABFASA-N 2 1 238.306 0.804 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000380153564 397781418 /nfs/dbraw/zinc/78/14/18/397781418.db2.gz SNDAEPRPPHNIBE-YNEHKIRRSA-N 2 1 244.379 0.845 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133641 397904083 /nfs/dbraw/zinc/90/40/83/397904083.db2.gz UUYWYCUYTQQMEN-JTQLQIEISA-N 2 1 215.341 0.570 10 0 BCAEMP CC[C@H](CNC(=O)OC(C)(C)C)NCC[NH3+] ZINC000307079277 397977006 /nfs/dbraw/zinc/97/70/06/397977006.db2.gz NONDAWYBBQOBMO-SECBINFHSA-N 2 1 231.340 0.838 10 0 BCAEMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC[NH3+] ZINC000307079277 397977012 /nfs/dbraw/zinc/97/70/12/397977012.db2.gz NONDAWYBBQOBMO-SECBINFHSA-N 2 1 231.340 0.838 10 0 BCAEMP C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000384071702 398064794 /nfs/dbraw/zinc/06/47/94/398064794.db2.gz VKNDFBBUWWRYIL-VXGBXAGGSA-N 2 1 239.363 0.729 10 0 BCAEMP [NH3+]CC1(CCNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000650301218 398078616 /nfs/dbraw/zinc/07/86/16/398078616.db2.gz HEOKVPOXNOFAIK-UHFFFAOYSA-N 2 1 231.303 0.921 10 0 BCAEMP CC(C)NC(=O)C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049900812 167057593 /nfs/dbraw/zinc/05/75/93/167057593.db2.gz VRTWDQLKNIPPLL-GFCCVEGCSA-N 2 1 241.379 0.975 10 0 BCAEMP CC(C)NC(=O)C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000049900812 167057596 /nfs/dbraw/zinc/05/75/96/167057596.db2.gz VRTWDQLKNIPPLL-GFCCVEGCSA-N 2 1 241.379 0.975 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000662401004 487598615 /nfs/dbraw/zinc/59/86/15/487598615.db2.gz HOTUATCGEDLIFU-WDEREUQCSA-N 2 1 227.352 0.585 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000128846811 410083903 /nfs/dbraw/zinc/08/39/03/410083903.db2.gz PAKSEEISAPQCGT-SNVBAGLBSA-N 2 1 213.325 0.134 10 0 BCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000246449474 167027773 /nfs/dbraw/zinc/02/77/73/167027773.db2.gz OOZGOFOQFNZKJU-UTUOFQBUSA-N 2 1 239.363 0.583 10 0 BCAEMP CC(C)NC(=O)[C@@H](C)NC1CC[NH+](C)CC1 ZINC000037249541 167079391 /nfs/dbraw/zinc/07/93/91/167079391.db2.gz WFRZUZFQMVDSLK-SNVBAGLBSA-N 2 1 227.352 0.583 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000128946613 411194632 /nfs/dbraw/zinc/19/46/32/411194632.db2.gz ZJYJWSWPQHMMME-WDEREUQCSA-N 2 1 227.352 0.428 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000128985272 411196065 /nfs/dbraw/zinc/19/60/65/411196065.db2.gz XOCJEJYRMVIMEB-WDEREUQCSA-N 2 1 227.352 0.570 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CC1 ZINC000129050797 411216488 /nfs/dbraw/zinc/21/64/88/411216488.db2.gz ABZDRRWCVJAMCM-NSHDSACASA-N 2 1 227.352 0.570 10 0 BCAEMP CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310217771 411225639 /nfs/dbraw/zinc/22/56/39/411225639.db2.gz FKTUCLGDWAUPAH-YPMHNXCESA-N 2 1 244.379 0.438 10 0 BCAEMP CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310217771 411225640 /nfs/dbraw/zinc/22/56/40/411225640.db2.gz FKTUCLGDWAUPAH-YPMHNXCESA-N 2 1 244.379 0.438 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1C ZINC000658352916 411355970 /nfs/dbraw/zinc/35/59/70/411355970.db2.gz BYFRNULKXVIDHN-VOBJUBJWSA-N 2 1 212.337 0.830 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@H+]1C ZINC000658352916 411355973 /nfs/dbraw/zinc/35/59/73/411355973.db2.gz BYFRNULKXVIDHN-VOBJUBJWSA-N 2 1 212.337 0.830 10 0 BCAEMP CCC(=O)N1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000037038493 168216849 /nfs/dbraw/zinc/21/68/49/168216849.db2.gz OGDWJCGWGYRZDS-UHFFFAOYSA-N 2 1 227.352 0.670 10 0 BCAEMP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000659925445 411500383 /nfs/dbraw/zinc/50/03/83/411500383.db2.gz JHTINTNQHHNGQN-QJPTWQEYSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000094646927 169985952 /nfs/dbraw/zinc/98/59/52/169985952.db2.gz YVEACNMOXWLFBK-NWDGAFQWSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[N@H+]1CC[C@H](CN2CC[NH2+]C[C@H](C)C2)C1 ZINC000049662192 170013727 /nfs/dbraw/zinc/01/37/27/170013727.db2.gz YYAYRRAPMYCPLC-STQMWFEESA-N 2 1 225.380 0.870 10 0 BCAEMP CC[N@@H+]1CC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353636 170015815 /nfs/dbraw/zinc/01/58/15/170015815.db2.gz YDYWSAKNNOSYBJ-OPGSHWCFSA-N 2 1 244.404 0.829 10 0 BCAEMP CC[N@H+]1CC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353636 170015817 /nfs/dbraw/zinc/01/58/17/170015817.db2.gz YDYWSAKNNOSYBJ-OPGSHWCFSA-N 2 1 244.404 0.829 10 0 BCAEMP CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073655781 170018172 /nfs/dbraw/zinc/01/81/72/170018172.db2.gz ITGHNYQTPUYFDE-RYUDHWBXSA-N 2 1 211.353 0.764 10 0 BCAEMP CC[N@H+]1CCc2[nH]c(=O)c(C[NH3+])cc2C1 ZINC000043404625 170023913 /nfs/dbraw/zinc/02/39/13/170023913.db2.gz ABSRBTMZFWMYSQ-UHFFFAOYSA-N 2 1 207.277 0.212 10 0 BCAEMP CCNC(=O)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042367890 170057015 /nfs/dbraw/zinc/05/70/15/170057015.db2.gz GCGOWOWIYAKYRA-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602901 170092669 /nfs/dbraw/zinc/09/26/69/170092669.db2.gz CVNGEOBSTVMLAU-YEJSDXFRSA-N 2 1 239.363 0.855 10 0 BCAEMP CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602901 170092670 /nfs/dbraw/zinc/09/26/70/170092670.db2.gz CVNGEOBSTVMLAU-YEJSDXFRSA-N 2 1 239.363 0.855 10 0 BCAEMP CC[NH2+]C1CCN(c2[nH+]ccn2C)CC1 ZINC000050605014 170109389 /nfs/dbraw/zinc/10/93/89/170109389.db2.gz ONAMVIOGDNLZBZ-UHFFFAOYSA-N 2 1 208.309 0.998 10 0 BCAEMP CC[NH2+]CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245663 170109765 /nfs/dbraw/zinc/10/97/65/170109765.db2.gz QWEJGTYCMCIEEE-SNVBAGLBSA-N 2 1 213.325 0.149 10 0 BCAEMP CC[NH2+]CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000061295359 170112004 /nfs/dbraw/zinc/11/20/04/170112004.db2.gz OIRSOVJNRCTHQY-LBPRGKRZSA-N 2 1 239.363 0.683 10 0 BCAEMP CC[NH2+]C[C@@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000061228629 170118140 /nfs/dbraw/zinc/11/81/40/170118140.db2.gz HYNCDLARPNOCEJ-LLVKDONJSA-N 2 1 227.352 0.396 10 0 BCAEMP CC[NH2+]C[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392592 170121685 /nfs/dbraw/zinc/12/16/85/170121685.db2.gz RANCBBHDYXWHRA-ZDUSSCGKSA-N 3 1 243.395 0.230 10 0 BCAEMP CCN[C@@](C)(CC[N@@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428652 170154775 /nfs/dbraw/zinc/15/47/75/170154775.db2.gz QUAOIRMUKQEBTQ-GVXVVHGQSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@@](C)(CC[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428652 170154777 /nfs/dbraw/zinc/15/47/77/170154777.db2.gz QUAOIRMUKQEBTQ-GVXVVHGQSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@@](C)(CC[N@@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428652 170154779 /nfs/dbraw/zinc/15/47/79/170154779.db2.gz QUAOIRMUKQEBTQ-GVXVVHGQSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@H]1CCOC[C@H]1N1CC[NH+](C)CC1 ZINC000043810899 170168796 /nfs/dbraw/zinc/16/87/96/170168796.db2.gz WXQRKOACXDAWHF-NWDGAFQWSA-N 2 1 227.352 0.001 10 0 BCAEMP CCOC(=O)CC[N@H+](C)CC[C@@H](C[NH3+])OCC ZINC000103917727 170203817 /nfs/dbraw/zinc/20/38/17/170203817.db2.gz IMZRIIJBWSAEQF-NSHDSACASA-N 2 1 246.351 0.625 10 0 BCAEMP CCOCC[N@@H+](CC)CCN1CCC[NH2+]CC1 ZINC000104201887 170394749 /nfs/dbraw/zinc/39/47/49/170394749.db2.gz GAHNEJVZBIJHOQ-UHFFFAOYSA-N 2 1 243.395 0.640 10 0 BCAEMP CCOCC[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000035358884 170398113 /nfs/dbraw/zinc/39/81/13/170398113.db2.gz JTFBTJBHXROIGZ-UHFFFAOYSA-N 2 1 229.368 0.379 10 0 BCAEMP C[C@@H]1C[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000662249427 412047567 /nfs/dbraw/zinc/04/75/67/412047567.db2.gz NKSROFQFLVWHMF-IJLUTSLNSA-N 2 1 240.347 0.617 10 0 BCAEMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257005 412052168 /nfs/dbraw/zinc/05/21/68/412052168.db2.gz LIWAQYUNHKWAJY-QWRGUYRKSA-N 2 1 242.388 0.945 10 0 BCAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CC(=O)NC)C1 ZINC000037270041 171056099 /nfs/dbraw/zinc/05/60/99/171056099.db2.gz BMDMMPQGKYEUNK-IJLUTSLNSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC000037270041 171056101 /nfs/dbraw/zinc/05/61/01/171056101.db2.gz BMDMMPQGKYEUNK-IJLUTSLNSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[C@@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015963 171078414 /nfs/dbraw/zinc/07/84/14/171078414.db2.gz IILBEBFBKHRSRD-LLVKDONJSA-N 2 1 228.336 0.212 10 0 BCAEMP CC[C@H](C)[N@@H+](CC)CC(=O)N1CCC[NH2+]CC1 ZINC000042354547 171311736 /nfs/dbraw/zinc/31/17/36/171311736.db2.gz PSQBSPUAECBSDM-LBPRGKRZSA-N 2 1 241.379 0.929 10 0 BCAEMP CC[C@H](C)[NH2+]CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812654 171339303 /nfs/dbraw/zinc/33/93/03/171339303.db2.gz ZNAQHFGEFHXMEW-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000662703997 412276695 /nfs/dbraw/zinc/27/66/95/412276695.db2.gz RBWAZSSAPZFITG-GARJFASQSA-N 2 1 243.326 0.287 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662621814 412244460 /nfs/dbraw/zinc/24/44/60/412244460.db2.gz LTTBJYAODDUCIR-MNOVXSKESA-N 2 1 239.363 0.585 10 0 BCAEMP CCc1[nH+]ccn1[C@@H]1COCC[C@H]1[NH2+]C ZINC000044036631 172028630 /nfs/dbraw/zinc/02/86/30/172028630.db2.gz LCCYDTLZUMRTNY-NXEZZACHSA-N 2 1 209.293 0.995 10 0 BCAEMP CN(C)C(=O)CC[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602545 172359209 /nfs/dbraw/zinc/35/92/09/172359209.db2.gz CFWVPEDJXWKWQB-YOGCLGLASA-N 2 1 239.363 0.809 10 0 BCAEMP CN(C)C(=O)CC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602545 172359211 /nfs/dbraw/zinc/35/92/11/172359211.db2.gz CFWVPEDJXWKWQB-YOGCLGLASA-N 2 1 239.363 0.809 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CN1CCC([NH3+])CC1 ZINC000044562898 173005062 /nfs/dbraw/zinc/00/50/62/173005062.db2.gz NSCOUHGMURBXOQ-GFCCVEGCSA-N 2 1 211.353 0.894 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000052043942 173005361 /nfs/dbraw/zinc/00/53/61/173005361.db2.gz GEKPCZYRODVXAT-SNVBAGLBSA-N 2 1 210.325 0.747 10 0 BCAEMP C[N@H+]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000020217783 173013768 /nfs/dbraw/zinc/01/37/68/173013768.db2.gz IGMVEKLUXNKEOE-GFCCVEGCSA-N 2 1 211.353 0.624 10 0 BCAEMP C[N@H+]1CCCN(c2ccnc(C(N)=[NH2+])c2)CC1 ZINC000061814038 173019882 /nfs/dbraw/zinc/01/98/82/173019882.db2.gz AKBNKEOITRQFPH-UHFFFAOYSA-N 2 1 233.319 0.508 10 0 BCAEMP C[N@H+]1CCC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000049474942 173039876 /nfs/dbraw/zinc/03/98/76/173039876.db2.gz MSBWTIVXWDEEBS-NSHDSACASA-N 2 1 225.336 0.150 10 0 BCAEMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[NH2+]C2)C1 ZINC000044532674 173040838 /nfs/dbraw/zinc/04/08/38/173040838.db2.gz JGPJVXZPCLMGNM-VXGBXAGGSA-N 2 1 211.353 0.670 10 0 BCAEMP CN(C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](C)C1 ZINC000053247504 173045225 /nfs/dbraw/zinc/04/52/25/173045225.db2.gz VIPSAJQYPWCWFV-RYUDHWBXSA-N 2 1 227.352 0.001 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000077458776 173070560 /nfs/dbraw/zinc/07/05/60/173070560.db2.gz RQYBKJFYSBSZQU-VIFPVBQESA-N 2 1 213.325 0.134 10 0 BCAEMP C[N@H+]1CCN(C[C@H](O)C[NH3+])[C@H](c2ccccc2)C1 ZINC000036998800 173084942 /nfs/dbraw/zinc/08/49/42/173084942.db2.gz DKFHIBYWTNZWKZ-KGLIPLIRSA-N 2 1 249.358 0.295 10 0 BCAEMP C[N@H+]1CCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1(C)C ZINC000104142848 173093602 /nfs/dbraw/zinc/09/36/02/173093602.db2.gz NAWIDTXUJVRCHW-NEPJUHHUSA-N 2 1 241.379 0.376 10 0 BCAEMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH2+]CC1 ZINC000037758714 173109989 /nfs/dbraw/zinc/10/99/89/173109989.db2.gz QMFKSSHDTIOFKH-SNVBAGLBSA-N 2 1 225.336 0.149 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822142 173113221 /nfs/dbraw/zinc/11/32/21/173113221.db2.gz YOFKGTRXTLGWHO-CHWSQXEVSA-N 3 1 225.380 0.870 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCCNC2=O)C1 ZINC000037485053 173117098 /nfs/dbraw/zinc/11/70/98/173117098.db2.gz FTKSBHPUXJHORX-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000038049578 173141928 /nfs/dbraw/zinc/14/19/28/173141928.db2.gz RDPQBNYNFXSUOH-GARJFASQSA-N 2 1 225.336 0.324 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccncc1 ZINC000071188132 173142806 /nfs/dbraw/zinc/14/28/06/173142806.db2.gz OPIPAEMTIXMACU-JSGCOSHPSA-N 2 1 248.374 0.965 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1ncccc1C[NH3+] ZINC000071187550 173143530 /nfs/dbraw/zinc/14/35/30/173143530.db2.gz PONYJVZHTCTTRK-NSHDSACASA-N 2 1 234.347 0.928 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCCNC2=O)C1 ZINC000037485052 173146489 /nfs/dbraw/zinc/14/64/89/173146489.db2.gz FTKSBHPUXJHORX-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054767888 173147764 /nfs/dbraw/zinc/14/77/64/173147764.db2.gz NJQNBBIJLDFAMN-SNVBAGLBSA-N 2 1 206.293 0.518 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2)C1 ZINC000054767888 173147768 /nfs/dbraw/zinc/14/77/68/173147768.db2.gz NJQNBBIJLDFAMN-SNVBAGLBSA-N 2 1 206.293 0.518 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000042549236 173151025 /nfs/dbraw/zinc/15/10/25/173151025.db2.gz TVDULFDDFNUTKA-VIFPVBQESA-N 2 1 211.309 0.078 10 0 BCAEMP CN(C1CCOCC1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990315 173163345 /nfs/dbraw/zinc/16/33/45/173163345.db2.gz KDIMWLPXYNZAST-GFCCVEGCSA-N 2 1 227.352 0.130 10 0 BCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1COCCO1)C2 ZINC000038060134 173206326 /nfs/dbraw/zinc/20/63/26/173206326.db2.gz HSEDJNXEIHYQMM-PSEXLTFBSA-N 2 1 240.347 0.617 10 0 BCAEMP CNC(=O)CC[N@H+]1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000104409021 173254819 /nfs/dbraw/zinc/25/48/19/173254819.db2.gz UABWATZLACYCBF-LLVKDONJSA-N 2 1 239.363 0.587 10 0 BCAEMP CNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000051759047 173260943 /nfs/dbraw/zinc/26/09/43/173260943.db2.gz RJBXENKCEWWTPF-WDEREUQCSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000051759047 173260946 /nfs/dbraw/zinc/26/09/46/173260946.db2.gz RJBXENKCEWWTPF-WDEREUQCSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037270060 173270101 /nfs/dbraw/zinc/27/01/01/173270101.db2.gz ZYOCCFHCFUCRFC-NXEZZACHSA-N 2 1 213.325 0.182 10 0 BCAEMP CNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037270060 173270103 /nfs/dbraw/zinc/27/01/03/173270103.db2.gz ZYOCCFHCFUCRFC-NXEZZACHSA-N 2 1 213.325 0.182 10 0 BCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(N)=O ZINC000054628139 173324392 /nfs/dbraw/zinc/32/43/92/173324392.db2.gz ZBKYLPAARPDOOC-PBINXNQUSA-N 2 1 211.309 0.077 10 0 BCAEMP C[NH2+]CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000249550903 173331417 /nfs/dbraw/zinc/33/14/17/173331417.db2.gz KZOOLPADYYILEZ-VHSXEESVSA-N 2 1 213.325 0.051 10 0 BCAEMP C[NH2+]CC1CC[NH+](Cc2ncccn2)CC1 ZINC000054460316 173338441 /nfs/dbraw/zinc/33/84/41/173338441.db2.gz IZRAJGDKZAYITG-UHFFFAOYSA-N 2 1 220.320 0.908 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000052377915 173371853 /nfs/dbraw/zinc/37/18/53/173371853.db2.gz ATRRECAGFPPINA-WDEREUQCSA-N 2 1 214.309 0.086 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724390 173554453 /nfs/dbraw/zinc/55/44/53/173554453.db2.gz WXUQHDJCFSZAHQ-SNVBAGLBSA-N 2 1 214.309 0.610 10 0 BCAEMP COCCC[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049665811 174227780 /nfs/dbraw/zinc/22/77/80/174227780.db2.gz YCRRXVRJDGCVPP-LLVKDONJSA-N 2 1 200.326 0.954 10 0 BCAEMP COCCC[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000071508481 174230723 /nfs/dbraw/zinc/23/07/23/174230723.db2.gz SGLFNDFAOYZXPH-SNVBAGLBSA-N 2 1 202.298 0.073 10 0 BCAEMP COCCC[N@H+]1C[C@H](C)O[C@@H](CC[NH3+])C1 ZINC000071519816 174234856 /nfs/dbraw/zinc/23/48/56/174234856.db2.gz UHUDQYWGILOVCK-QWRGUYRKSA-N 2 1 216.325 0.461 10 0 BCAEMP COCCCNC(=O)C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557071 174237513 /nfs/dbraw/zinc/23/75/13/174237513.db2.gz QUUCMKYAYQSHFX-NSHDSACASA-N 2 1 245.367 0.069 10 0 BCAEMP COCC[N@H+](CC(C)C)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042368160 174287264 /nfs/dbraw/zinc/28/72/64/174287264.db2.gz YEQDJGNIGWYRSJ-CHWSQXEVSA-N 2 1 244.379 0.955 10 0 BCAEMP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])[C@@H]1CCOC1 ZINC000042368160 174287265 /nfs/dbraw/zinc/28/72/65/174287265.db2.gz YEQDJGNIGWYRSJ-CHWSQXEVSA-N 2 1 244.379 0.955 10 0 BCAEMP COCCNC(=O)[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557796 174325482 /nfs/dbraw/zinc/32/54/82/174325482.db2.gz QGQKGMNQCVZDAP-GHMZBOCLSA-N 2 1 245.367 0.067 10 0 BCAEMP COCCNC(=O)[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557794 174326299 /nfs/dbraw/zinc/32/62/99/174326299.db2.gz QGQKGMNQCVZDAP-MNOVXSKESA-N 2 1 245.367 0.067 10 0 BCAEMP COCCNC(=O)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557793 174326708 /nfs/dbraw/zinc/32/67/08/174326708.db2.gz QGQKGMNQCVZDAP-QWRGUYRKSA-N 2 1 245.367 0.067 10 0 BCAEMP COCCOCC[N@@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053033892 174355421 /nfs/dbraw/zinc/35/54/21/174355421.db2.gz GUYGMAADTZPKRA-ZDUSSCGKSA-N 2 1 244.379 0.969 10 0 BCAEMP COCCOCC[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053033892 174355423 /nfs/dbraw/zinc/35/54/23/174355423.db2.gz GUYGMAADTZPKRA-ZDUSSCGKSA-N 2 1 244.379 0.969 10 0 BCAEMP C[C@@H]1CCCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000019685511 176072066 /nfs/dbraw/zinc/07/20/66/176072066.db2.gz JYSFVDJQVZUSOT-LLVKDONJSA-N 2 1 212.337 0.975 10 0 BCAEMP C[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C)C2)[C@@H]1[NH3+] ZINC000055139828 176113762 /nfs/dbraw/zinc/11/37/62/176113762.db2.gz 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[NH3+]Cc1cccc([C@@H]2C[C@@H]([NH3+])CCN2)c1 ZINC000757220796 586442423 /nfs/dbraw/zinc/44/24/23/586442423.db2.gz ZNMBEPAUNRTIPY-RYUDHWBXSA-N 2 1 205.305 0.897 10 0 BCAEMP CN(C)c1nc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc[nH+]1 ZINC000132508395 591714875 /nfs/dbraw/zinc/71/48/75/591714875.db2.gz UFZCFGIVAWWPHY-MNOVXSKESA-N 2 1 247.346 0.873 10 0 BCAEMP C[C@H]1C[C@H](C[NH3+])CN1c1cc[nH+]c(N(C)C)n1 ZINC000216154222 592011437 /nfs/dbraw/zinc/01/14/37/592011437.db2.gz SERSCWAWPJPKQL-VHSXEESVSA-N 2 1 235.335 0.716 10 0 BCAEMP [NH3+][C@H](CC1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000302641479 592550493 /nfs/dbraw/zinc/55/04/93/592550493.db2.gz FZVWFYCIAZXCAJ-VXGBXAGGSA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1N(C)C ZINC000124270423 634406531 /nfs/dbraw/zinc/40/65/31/634406531.db2.gz SBROBHPJTVHNCS-RNJOBUHISA-N 2 1 225.380 0.996 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1N(C)C ZINC000124270220 634408003 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ZINC000309475027 633132408 /nfs/dbraw/zinc/13/24/08/633132408.db2.gz RSLKXHYIUOGTMA-MRVPVSSYSA-N 2 1 212.297 0.972 10 0 BCAEMP CC(C)[N@@H+](C)Cc1nc([C@H](C)C[NH3+])no1 ZINC000309475027 633132413 /nfs/dbraw/zinc/13/24/13/633132413.db2.gz RSLKXHYIUOGTMA-MRVPVSSYSA-N 2 1 212.297 0.972 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040503667 633817000 /nfs/dbraw/zinc/81/70/00/633817000.db2.gz MOCQGPDJJXOMGZ-GFCCVEGCSA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@H+](C[C@H]1CCCO1)C1(C[NH3+])CCOCC1 ZINC000042463524 637264527 /nfs/dbraw/zinc/26/45/27/637264527.db2.gz ZVPQSGZSZOVDSG-LLVKDONJSA-N 2 1 228.336 0.605 10 0 BCAEMP C[N@@H+](C[C@H]1CCCO1)C1(C[NH3+])CCOCC1 ZINC000042463524 637264535 /nfs/dbraw/zinc/26/45/35/637264535.db2.gz ZVPQSGZSZOVDSG-LLVKDONJSA-N 2 1 228.336 0.605 10 0 BCAEMP C[NH+]1CCC(C)(CN[C@@H]2CC[NH2+]C2)CC1 ZINC000226346326 639010053 /nfs/dbraw/zinc/01/00/53/639010053.db2.gz GHMAZHBGVQCBLG-LLVKDONJSA-N 2 1 211.353 0.670 10 0 BCAEMP 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0.698 10 0 BCAEMP C[NH2+][C@@H](CCn1cc[nH+]c1C(C)C)C(N)=O ZINC000062534495 641058219 /nfs/dbraw/zinc/05/82/19/641058219.db2.gz ZTAWLSXYQWMUOX-VIFPVBQESA-N 2 1 224.308 0.470 10 0 BCAEMP CC[NH+]1CCC(O)(C(F)(F)C[NH3+])CC1 ZINC000675073804 641322906 /nfs/dbraw/zinc/32/29/06/641322906.db2.gz NNZFCGMTUIPRNE-UHFFFAOYSA-N 2 1 208.252 0.427 10 0 BCAEMP C[N@@H+](C[C@@H](O)C1CC1)C[C@H]1CC[NH+](C)C1 ZINC000252459904 642890066 /nfs/dbraw/zinc/89/00/66/642890066.db2.gz ZNXHHDJUJQJXMS-CMPLNLGQSA-N 2 1 212.337 0.641 10 0 BCAEMP C[NH+](C[C@@H](O)C1CC1)C[C@H]1CC[N@H+](C)C1 ZINC000252459904 642890070 /nfs/dbraw/zinc/89/00/70/642890070.db2.gz ZNXHHDJUJQJXMS-CMPLNLGQSA-N 2 1 212.337 0.641 10 0 BCAEMP C[NH+](C[C@@H](O)C1CC1)C[C@H]1CC[N@@H+](C)C1 ZINC000252459904 642890076 /nfs/dbraw/zinc/89/00/76/642890076.db2.gz ZNXHHDJUJQJXMS-CMPLNLGQSA-N 2 1 212.337 0.641 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170921 642986595 /nfs/dbraw/zinc/98/65/95/642986595.db2.gz GAGWNAZZAJXHJW-OLZOCXBDSA-N 2 1 244.379 0.833 10 0 BCAEMP COC(=O)[C@H]1C[NH2+]C[C@@]12CCC[N@@H+](C)CC2 ZINC000757183646 643359695 /nfs/dbraw/zinc/35/96/95/643359695.db2.gz DRFPKAXKGZEIFV-PWSUYJOCSA-N 2 1 226.320 0.481 10 0 BCAEMP CCCc1[nH+]ccn1CC[C@](C)([NH3+])C(N)=O ZINC000069964631 643452505 /nfs/dbraw/zinc/45/25/05/643452505.db2.gz RFDCDRLCPVCNFQ-NSHDSACASA-N 2 1 224.308 0.428 10 0 BCAEMP CC[NH2+]CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932353 644294096 /nfs/dbraw/zinc/29/40/96/644294096.db2.gz ZQUOPYHAHBUQME-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP COC(=O)[C@@](C)([NH3+])CCCn1cc[nH+]c1C ZINC000084507775 644425714 /nfs/dbraw/zinc/42/57/14/644425714.db2.gz IBQQUBHTJJFTOH-NSHDSACASA-N 2 1 225.292 0.862 10 0 BCAEMP CC[NH2+]CC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000086188889 644458524 /nfs/dbraw/zinc/45/85/24/644458524.db2.gz DYWBLKUONPPKEM-LLVKDONJSA-N 2 1 227.352 0.539 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](C)[NH3+] ZINC000086188885 644459555 /nfs/dbraw/zinc/45/95/55/644459555.db2.gz QROPHIXZJIHXKA-MNOVXSKESA-N 2 1 227.352 0.666 10 0 BCAEMP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C1)c1ccco1 ZINC000086725100 644469316 /nfs/dbraw/zinc/46/93/16/644469316.db2.gz VJDYEUTXNJSGBE-WDEREUQCSA-N 2 1 223.320 0.834 10 0 BCAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COC(C)C)C1 ZINC000250582472 644767774 /nfs/dbraw/zinc/76/77/74/644767774.db2.gz KLCHENFXIDUUJP-STQMWFEESA-N 2 1 244.379 0.704 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000252691552 644880154 /nfs/dbraw/zinc/88/01/54/644880154.db2.gz YJDFYXVLVXBONU-GRYCIOLGSA-N 2 1 230.352 0.584 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CC[N@@H+]1C ZINC000716762728 712572873 /nfs/dbraw/zinc/57/28/73/712572873.db2.gz ZLSMRIMDKKTLFK-VKAADOFISA-N 2 1 225.336 0.323 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CC[N@H+]1C ZINC000716762728 712572874 /nfs/dbraw/zinc/57/28/74/712572874.db2.gz ZLSMRIMDKKTLFK-VKAADOFISA-N 2 1 225.336 0.323 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723681833 711533679 /nfs/dbraw/zinc/53/36/79/711533679.db2.gz AKPBSRNRAZPHIP-VIFPVBQESA-N 2 1 200.282 0.220 10 0 BCAEMP CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000669384770 711790277 /nfs/dbraw/zinc/79/02/77/711790277.db2.gz FIRUODJMTYPPRQ-KXUCPTDWSA-N 2 1 214.309 0.655 10 0 BCAEMP C([C@H]1CCCO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000708838622 712200459 /nfs/dbraw/zinc/20/04/59/712200459.db2.gz DNOKQEUHKULXQU-QJPTWQEYSA-N 2 1 210.321 0.707 10 0 BCAEMP C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000708860916 712201256 /nfs/dbraw/zinc/20/12/56/712201256.db2.gz FOURIQISWRADBZ-CSMHCCOUSA-N 2 1 226.242 0.436 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000708860916 712201257 /nfs/dbraw/zinc/20/12/57/712201257.db2.gz FOURIQISWRADBZ-CSMHCCOUSA-N 2 1 226.242 0.436 10 0 BCAEMP COC1CC(C[N@H+]2C[C@@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000708955199 712203955 /nfs/dbraw/zinc/20/39/55/712203955.db2.gz BNLAFXQTYIJWBM-TYUFSLCMSA-N 2 1 242.363 0.850 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709017031 712206240 /nfs/dbraw/zinc/20/62/40/712206240.db2.gz VBBMVPWUEXTGQZ-STQMWFEESA-N 2 1 244.379 0.976 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709017031 712206241 /nfs/dbraw/zinc/20/62/41/712206241.db2.gz VBBMVPWUEXTGQZ-STQMWFEESA-N 2 1 244.379 0.976 10 0 BCAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCO1)C2 ZINC000709820190 712227905 /nfs/dbraw/zinc/22/79/05/712227905.db2.gz BCYVIVRWWAZKRA-FIQHERPVSA-N 2 1 210.321 0.977 10 0 BCAEMP CCCC[NH2+]C1CC[NH+](CCO)CC1 ZINC000379577496 712388571 /nfs/dbraw/zinc/38/85/71/712388571.db2.gz QXQQHKGIYDMPFE-UHFFFAOYSA-N 2 1 200.326 0.833 10 0 BCAEMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[NH2+]C1 ZINC000720885177 712874337 /nfs/dbraw/zinc/87/43/37/712874337.db2.gz CWUDJIJBNBSRPB-GRYCIOLGSA-N 2 1 237.347 0.291 10 0 BCAEMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901458 712875763 /nfs/dbraw/zinc/87/57/63/712875763.db2.gz SALRTASNGGPNAT-HCWSGVFWSA-N 2 1 237.347 0.419 10 0 BCAEMP C[NH2+]CC(F)(F)CO[C@@H](C)C[NH+](C)C ZINC000685956575 538903019 /nfs/dbraw/zinc/90/30/19/538903019.db2.gz GHOWWVPCJZHARS-QMMMGPOBSA-N 2 1 210.268 0.808 10 0 BCAEMP C[NH2+]CC(F)(F)CO[C@H](C)C[NH+](C)C ZINC000685956572 538903142 /nfs/dbraw/zinc/90/31/42/538903142.db2.gz GHOWWVPCJZHARS-MRVPVSSYSA-N 2 1 210.268 0.808 10 0 BCAEMP C1=C(c2[nH]nc3c2C[NH2+]CC3)CC[NH2+]C1 ZINC000685952210 538896326 /nfs/dbraw/zinc/89/63/26/538896326.db2.gz APJQNNWYADHKKV-UHFFFAOYSA-N 2 1 204.277 0.432 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000380153558 398187509 /nfs/dbraw/zinc/18/75/09/398187509.db2.gz SNDAEPRPPHNIBE-XQQFMLRXSA-N 2 1 244.379 0.845 10 0 BCAEMP Cc1cc(N(C)[C@H]2CC[NH2+]C2)nc(C)[nH+]1 ZINC000070897340 178102126 /nfs/dbraw/zinc/10/21/26/178102126.db2.gz XKVOYKDONPPWNN-JTQLQIEISA-N 2 1 206.293 0.892 10 0 BCAEMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000263283781 398197527 /nfs/dbraw/zinc/19/75/27/398197527.db2.gz SWEJAHJATFWWBT-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000092629678 398235876 /nfs/dbraw/zinc/23/58/76/398235876.db2.gz QIASJNSQOMGZHD-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000165326014 136226929 /nfs/dbraw/zinc/22/69/29/136226929.db2.gz IKRWYFOXOSLZAH-VXGBXAGGSA-N 2 1 239.363 0.396 10 0 BCAEMP CCC(CC)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354600 168367756 /nfs/dbraw/zinc/36/77/56/168367756.db2.gz MRZGKQJBUPSTEX-UHFFFAOYSA-N 2 1 241.379 0.929 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]12 ZINC000381555682 398263365 /nfs/dbraw/zinc/26/33/65/398263365.db2.gz OMXRGFUWHXJHKY-WHOHXGKFSA-N 3 1 209.337 0.265 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)C[C@H]12 ZINC000381555682 398263367 /nfs/dbraw/zinc/26/33/67/398263367.db2.gz OMXRGFUWHXJHKY-WHOHXGKFSA-N 2 1 209.337 0.265 10 0 BCAEMP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000231844317 342739963 /nfs/dbraw/zinc/73/99/63/342739963.db2.gz MQBFTKSGBZSCDA-QWRGUYRKSA-N 2 1 227.352 0.442 10 0 BCAEMP Cc1cnn(CC[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838661 398285807 /nfs/dbraw/zinc/28/58/07/398285807.db2.gz SKXJRDRUHUSHPI-NEPJUHHUSA-N 2 1 222.336 0.718 10 0 BCAEMP C[C@H]1CCC[N@H+](CC(C)(C)O)[C@@H]1C[NH3+] ZINC000069727318 342822617 /nfs/dbraw/zinc/82/26/17/342822617.db2.gz GZJCTSLYSHROOV-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@H]1CCC[N@@H+](CC(C)(C)O)[C@@H]1C[NH3+] ZINC000069727318 342822619 /nfs/dbraw/zinc/82/26/19/342822619.db2.gz GZJCTSLYSHROOV-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP C[NH+](C)C[C@@H]1COC[C@H]1[NH+]1CCC(CO)CC1 ZINC000725273976 539026961 /nfs/dbraw/zinc/02/69/61/539026961.db2.gz ZVEUBSAZMHRTCB-CHWSQXEVSA-N 2 1 242.363 0.267 10 0 BCAEMP C[N@@H+](CCNC(=O)C1CCC([NH3+])CC1)C1CC1 ZINC000059931538 342876800 /nfs/dbraw/zinc/87/68/00/342876800.db2.gz VCNASCVDFRSMKX-UHFFFAOYSA-N 2 1 239.363 0.714 10 0 BCAEMP C[NH+](C)[C@@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302126702 398325227 /nfs/dbraw/zinc/32/52/27/398325227.db2.gz ARZLPXHTNKBEIA-SECBINFHSA-N 2 1 234.303 0.321 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000036873420 342992821 /nfs/dbraw/zinc/99/28/21/342992821.db2.gz QTKWZMSYCXKNDD-NSHDSACASA-N 2 1 227.352 0.666 10 0 BCAEMP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565159 343112501 /nfs/dbraw/zinc/11/25/01/343112501.db2.gz PGNQZHXZLABXEW-GHMZBOCLSA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)(O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565159 343112503 /nfs/dbraw/zinc/11/25/03/343112503.db2.gz PGNQZHXZLABXEW-GHMZBOCLSA-N 2 1 212.337 0.974 10 0 BCAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC(C)(C)O ZINC000070822832 343341391 /nfs/dbraw/zinc/34/13/91/343341391.db2.gz RWSPPSYIESEFKR-SNVBAGLBSA-N 2 1 200.326 0.641 10 0 BCAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC(C)(C)O ZINC000070822832 343341392 /nfs/dbraw/zinc/34/13/92/343341392.db2.gz RWSPPSYIESEFKR-SNVBAGLBSA-N 2 1 200.326 0.641 10 0 BCAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC(C)(C)O ZINC000070822832 343341393 /nfs/dbraw/zinc/34/13/93/343341393.db2.gz RWSPPSYIESEFKR-SNVBAGLBSA-N 2 1 200.326 0.641 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261542485 136374530 /nfs/dbraw/zinc/37/45/30/136374530.db2.gz ORXCXSAMGKXCPL-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP C1CC1N1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000038041388 187261949 /nfs/dbraw/zinc/26/19/49/187261949.db2.gz SCQRIAKSXVPUFG-UHFFFAOYSA-N 2 1 223.364 0.955 10 0 BCAEMP COCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261997177 536894748 /nfs/dbraw/zinc/89/47/48/536894748.db2.gz UFJQDINCKHKLDK-QJPTWQEYSA-N 2 1 228.336 0.380 10 0 BCAEMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037164635 537788810 /nfs/dbraw/zinc/78/88/10/537788810.db2.gz CZBABMNSVJVMCO-NWDGAFQWSA-N 2 1 212.337 0.974 10 0 BCAEMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@H]1O ZINC000299901180 343629113 /nfs/dbraw/zinc/62/91/13/343629113.db2.gz AUYAJHDKGARFLF-NXEZZACHSA-N 2 1 200.326 0.674 10 0 BCAEMP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[NH+]2CCOCC2)O1 ZINC000052377952 187271542 /nfs/dbraw/zinc/27/15/42/187271542.db2.gz CHFOMSPRCHUWBU-OLZOCXBDSA-N 2 1 240.347 0.618 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000261544407 349849874 /nfs/dbraw/zinc/84/98/74/349849874.db2.gz XVWKYZZCNUDTHW-TUAOUCFPSA-N 2 1 241.379 0.960 10 0 BCAEMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980319 187273483 /nfs/dbraw/zinc/27/34/83/187273483.db2.gz QRAJFPKFXSCQCT-STQMWFEESA-N 2 1 239.363 0.002 10 0 BCAEMP COC(=O)CCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000600710277 344360781 /nfs/dbraw/zinc/36/07/81/344360781.db2.gz MZXVXJLUHIAZHD-VHSXEESVSA-N 2 1 214.309 0.609 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000600710277 344360784 /nfs/dbraw/zinc/36/07/84/344360784.db2.gz MZXVXJLUHIAZHD-VHSXEESVSA-N 2 1 214.309 0.609 10 0 BCAEMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H](O)C[NH3+] ZINC000221990372 349912585 /nfs/dbraw/zinc/91/25/85/349912585.db2.gz QPAZHGXTIRVRKB-VGMNWLOBSA-N 2 1 204.339 0.132 10 0 BCAEMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@@H]1O ZINC000230342647 344526860 /nfs/dbraw/zinc/52/68/60/344526860.db2.gz AUYAJHDKGARFLF-ZJUUUORDSA-N 2 1 200.326 0.674 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827022 344593715 /nfs/dbraw/zinc/59/37/15/344593715.db2.gz GKAYHISFZVFGLX-NSHDSACASA-N 2 1 225.336 0.420 10 0 BCAEMP C([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250979650 187359455 /nfs/dbraw/zinc/35/94/55/187359455.db2.gz BFECNACKCOJEJT-OLZOCXBDSA-N 2 1 223.364 0.766 10 0 BCAEMP CN(C)[C@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000675053236 537865874 /nfs/dbraw/zinc/86/58/74/537865874.db2.gz GHNXKPBMEUJPBM-SRVKXCTJSA-N 2 1 211.353 0.750 10 0 BCAEMP CC(C)CN1CC[NH+](C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000675053386 537866354 /nfs/dbraw/zinc/86/63/54/537866354.db2.gz JIWVYUOWIHMWDK-JOCQHMNTSA-N 2 1 225.380 0.997 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246743182 187297807 /nfs/dbraw/zinc/29/78/07/187297807.db2.gz ZGOPTWBNDHSSRV-WDEREUQCSA-N 2 1 227.352 0.570 10 0 BCAEMP C[NH+]1CCC(C[NH+]2CCC(=O)CC2)CC1 ZINC000044518771 345105527 /nfs/dbraw/zinc/10/55/27/345105527.db2.gz ABFVYWNJGHYITJ-UHFFFAOYSA-N 2 1 210.321 0.993 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000310477907 259382884 /nfs/dbraw/zinc/38/28/84/259382884.db2.gz CGSVYIKEOHTXON-OLZOCXBDSA-N 2 1 241.379 0.079 10 0 BCAEMP CC[NH+](C)C[C@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310477907 259382885 /nfs/dbraw/zinc/38/28/85/259382885.db2.gz CGSVYIKEOHTXON-OLZOCXBDSA-N 2 1 241.379 0.079 10 0 BCAEMP CC[NH+](C)C[C@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000310477907 259382887 /nfs/dbraw/zinc/38/28/87/259382887.db2.gz CGSVYIKEOHTXON-OLZOCXBDSA-N 2 1 241.379 0.079 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC12CC(C1)C[NH2+]2 ZINC000634993563 345190243 /nfs/dbraw/zinc/19/02/43/345190243.db2.gz YIHANDJSBDSQBB-NELGMTEASA-N 2 1 235.375 0.907 10 0 BCAEMP C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000634998790 345199075 /nfs/dbraw/zinc/19/90/75/345199075.db2.gz LCBVMCIILISRRL-WOPDTQHZSA-N 2 1 212.337 0.940 10 0 BCAEMP Cc1n[nH]cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999557 345200600 /nfs/dbraw/zinc/20/06/00/345200600.db2.gz WCJVOCGKHDEBHF-WPRPVWTQSA-N 2 1 208.309 0.745 10 0 BCAEMP C[C@@H]1CN([C@H]2C[C@@H]3CCCC[N@H+]3C2)CC[NH2+]1 ZINC000725241729 537980206 /nfs/dbraw/zinc/98/02/06/537980206.db2.gz NZYDPYRLCPMSMG-AGIUHOORSA-N 2 1 223.364 0.907 10 0 BCAEMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000641797555 362742727 /nfs/dbraw/zinc/74/27/27/362742727.db2.gz FJOWECFSLJWAHF-LSJOCFKGSA-N 2 1 237.303 0.852 10 0 BCAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000641797555 362742732 /nfs/dbraw/zinc/74/27/32/362742732.db2.gz FJOWECFSLJWAHF-LSJOCFKGSA-N 2 1 237.303 0.852 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249744803 346499264 /nfs/dbraw/zinc/49/92/64/346499264.db2.gz LZVICXGZDIYOKQ-NEPJUHHUSA-N 2 1 239.363 0.729 10 0 BCAEMP COc1cc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])ccn1 ZINC000725242462 537985433 /nfs/dbraw/zinc/98/54/33/537985433.db2.gz HUCJNUDMIUAUFR-UWVGGRQHSA-N 2 1 207.277 0.494 10 0 BCAEMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1C=O ZINC000725242607 537986169 /nfs/dbraw/zinc/98/61/69/537986169.db2.gz LSAIBEBSKZXXGH-NEPJUHHUSA-N 2 1 234.299 0.912 10 0 BCAEMP C[C@H]1C[N@@H+](CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000641821673 362772590 /nfs/dbraw/zinc/77/25/90/362772590.db2.gz OIHQGSWQWJWLQJ-GXSJLCMTSA-N 2 1 208.309 0.479 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325472 347207215 /nfs/dbraw/zinc/20/72/15/347207215.db2.gz CTXYITVUWVUQHN-IUCAKERBSA-N 2 1 200.282 0.076 10 0 BCAEMP CC[NH2+][C@]1(C(N)=O)CC[N@@H+]2CCC[C@H]2C1 ZINC000250639322 362814585 /nfs/dbraw/zinc/81/45/85/362814585.db2.gz MSDRSACYXBPLIX-GXSJLCMTSA-N 2 1 211.309 0.078 10 0 BCAEMP CC[NH2+][C@]1(C(N)=O)CC[N@H+]2CCC[C@H]2C1 ZINC000250639322 362814589 /nfs/dbraw/zinc/81/45/89/362814589.db2.gz MSDRSACYXBPLIX-GXSJLCMTSA-N 2 1 211.309 0.078 10 0 BCAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2CCOCO2)C1 ZINC000250821504 362823257 /nfs/dbraw/zinc/82/32/57/362823257.db2.gz GGIDJBOQDRMPEF-NXEZZACHSA-N 2 1 200.282 0.030 10 0 BCAEMP C[C@H](O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000251102739 362838358 /nfs/dbraw/zinc/83/83/58/362838358.db2.gz NFPGQAVFPGLCSA-DCAQKATOSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](CC1CC1)CC[C@H]2O ZINC000725246215 538004570 /nfs/dbraw/zinc/00/45/70/538004570.db2.gz RKNNVQXQMNJFJY-RTXFEEFZSA-N 2 1 224.348 0.689 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC[NH3+] ZINC000251647592 349189294 /nfs/dbraw/zinc/18/92/94/349189294.db2.gz GFPVRBVFMHPOGP-RYUDHWBXSA-N 2 1 239.363 0.811 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH3+])C[C@@H]1C ZINC000221909819 349424344 /nfs/dbraw/zinc/42/43/44/349424344.db2.gz QKJZKQGNKUISMN-VWYCJHECSA-N 2 1 200.326 0.674 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000082559710 490290404 /nfs/dbraw/zinc/29/04/04/490290404.db2.gz BIDIYIDSLZJQMD-GMTAPVOTSA-N 2 1 225.336 0.052 10 0 BCAEMP Cc1[nH+]ccn1CCN1CCC[C@@H]1C[NH3+] ZINC000049330738 180249907 /nfs/dbraw/zinc/24/99/07/180249907.db2.gz KVYXSMUXWCDLTM-LLVKDONJSA-N 2 1 208.309 0.615 10 0 BCAEMP Cc1[nH+]ccn1CCN1CC[NH2+]C[C@@H]1C ZINC000054374739 180256903 /nfs/dbraw/zinc/25/69/03/180256903.db2.gz YORNDZIBEHOXMO-JTQLQIEISA-N 2 1 208.309 0.485 10 0 BCAEMP Cc1[nH+]ccn1[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043232538 180272563 /nfs/dbraw/zinc/27/25/63/180272563.db2.gz PXWJIVHUVMBTSM-GZMMTYOYSA-N 2 1 219.292 0.862 10 0 BCAEMP Cc1[nH+]ccn1CCO[C@@H]1CCC[NH2+]C1 ZINC000049330814 180262942 /nfs/dbraw/zinc/26/29/42/180262942.db2.gz KHROLNOCLQYYOB-LLVKDONJSA-N 2 1 209.293 0.960 10 0 BCAEMP CCOC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068951296 350316496 /nfs/dbraw/zinc/31/64/96/350316496.db2.gz ODSSGWWHXCSBKV-NEPJUHHUSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000068951296 350316499 /nfs/dbraw/zinc/31/64/99/350316499.db2.gz ODSSGWWHXCSBKV-NEPJUHHUSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000068951296 350316502 /nfs/dbraw/zinc/31/65/02/350316502.db2.gz ODSSGWWHXCSBKV-NEPJUHHUSA-N 2 1 230.352 0.267 10 0 BCAEMP C[C@@]1(CO)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000309514411 350694533 /nfs/dbraw/zinc/69/45/33/350694533.db2.gz QTPJVDGGFMXYLC-RYUDHWBXSA-N 2 1 212.337 0.833 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(N)=[NH2+] ZINC000306736787 350907848 /nfs/dbraw/zinc/90/78/48/350907848.db2.gz QSAUBGKUNZVWHA-CMPLNLGQSA-N 2 1 232.331 0.990 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(N)=[NH2+] ZINC000306736790 350907882 /nfs/dbraw/zinc/90/78/82/350907882.db2.gz QSAUBGKUNZVWHA-JQWIXIFHSA-N 2 1 232.331 0.990 10 0 BCAEMP OC[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306761911 350987808 /nfs/dbraw/zinc/98/78/08/350987808.db2.gz GHZDSTSBLWNSOD-UONOGXRCSA-N 2 1 232.327 0.700 10 0 BCAEMP OC[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306761911 350987809 /nfs/dbraw/zinc/98/78/09/350987809.db2.gz GHZDSTSBLWNSOD-UONOGXRCSA-N 2 1 232.327 0.700 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH3+])[C@H](C)C1 ZINC000252108414 363067913 /nfs/dbraw/zinc/06/79/13/363067913.db2.gz HJRYTEIOCZOBSH-MXWKQRLJSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@H]1[C@H](O)CCC[N@H+]1CCC(C)(C)[NH3+] ZINC000307253102 351784083 /nfs/dbraw/zinc/78/40/83/351784083.db2.gz UOKXGJFQULGEHT-VHSXEESVSA-N 2 1 200.326 0.959 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638080914 351954407 /nfs/dbraw/zinc/95/44/07/351954407.db2.gz YTGCEOLIRWDLSE-GFCCVEGCSA-N 2 1 239.363 0.587 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000638114959 351990425 /nfs/dbraw/zinc/99/04/25/351990425.db2.gz DDRQVJVRWGUTTP-QJPTWQEYSA-N 2 1 239.363 0.680 10 0 BCAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1cccc(O)c1F ZINC000725270364 538102015 /nfs/dbraw/zinc/10/20/15/538102015.db2.gz IYOQYZBHRSWDIH-IONNQARKSA-N 2 1 210.252 0.936 10 0 BCAEMP [NH3+][C@H]1CC12CCC([N@H+]1CC[C@H](CO)C1)CC2 ZINC000725270399 538102253 /nfs/dbraw/zinc/10/22/53/538102253.db2.gz LVLIGBHQGPBITN-QCXCNERSSA-N 2 1 224.348 0.961 10 0 BCAEMP C[C@H]1C[N@H+](C2CCC3(C[C@@H]3[NH3+])CC2)CCN1 ZINC000725270248 538102506 /nfs/dbraw/zinc/10/25/06/538102506.db2.gz JQHAZEUBACDQIM-QCXCNERSSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@H]1CN(C2CCC3(C[C@@H]3[NH3+])CC2)CC[NH2+]1 ZINC000725270248 538102507 /nfs/dbraw/zinc/10/25/07/538102507.db2.gz JQHAZEUBACDQIM-QCXCNERSSA-N 2 1 223.364 0.940 10 0 BCAEMP [NH3+][C@H]1CC12CCC(N1CC[NH2+]CC1)CC2 ZINC000725270274 538102875 /nfs/dbraw/zinc/10/28/75/538102875.db2.gz KZRGXBPGOSYSNK-CXQJBGSLSA-N 2 1 209.337 0.552 10 0 BCAEMP C1[C@H]2C[NH2+]C[C@@H]1[C@H]1C[C@H]3[NH2+]CCN[C@@H]3C[C@@H]21 ZINC000725272476 538104282 /nfs/dbraw/zinc/10/42/82/538104282.db2.gz GRZHZITXWVZWSL-HDLKOFKZSA-N 2 1 221.348 0.182 10 0 BCAEMP C[C@]1([NH3+])CC=C([C@H]2CC[NH2+]C[C@@H]2N)CC1 ZINC000725271799 538103967 /nfs/dbraw/zinc/10/39/67/538103967.db2.gz CNJIOUGTFNTGMZ-WOPDTQHZSA-N 2 1 209.337 0.751 10 0 BCAEMP [NH3+][C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000307436954 352596121 /nfs/dbraw/zinc/59/61/21/352596121.db2.gz UGZGRYIJBMRENQ-QWHCGFSZSA-N 2 1 245.326 0.430 10 0 BCAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(N)C[NH3+] ZINC000307475080 352618737 /nfs/dbraw/zinc/61/87/37/352618737.db2.gz JYMMUUHHPQCUDM-WCQYABFASA-N 2 1 219.332 0.937 10 0 BCAEMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH3+])C1 ZINC000229383771 353143590 /nfs/dbraw/zinc/14/35/90/353143590.db2.gz ZGSYWZNKDHCCAU-DBIOUOCHSA-N 2 1 200.326 0.672 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250221555 353269548 /nfs/dbraw/zinc/26/95/48/353269548.db2.gz DWROMGUYIBHGGD-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)C[NH3+] ZINC000251832109 353292664 /nfs/dbraw/zinc/29/26/64/353292664.db2.gz PQMCMWVLTQOARQ-MNOVXSKESA-N 2 1 239.363 0.666 10 0 BCAEMP CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157996 188287492 /nfs/dbraw/zinc/28/74/92/188287492.db2.gz BBVNWPKOKMNMHN-VXGBXAGGSA-N 2 1 225.336 0.278 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055086488 353346357 /nfs/dbraw/zinc/34/63/57/353346357.db2.gz NKMWOPPKMHIOCY-NWDGAFQWSA-N 2 1 239.363 0.668 10 0 BCAEMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH3+])C1 ZINC000301053882 363394484 /nfs/dbraw/zinc/39/44/84/363394484.db2.gz ZGSYWZNKDHCCAU-GWOFURMSSA-N 2 1 200.326 0.672 10 0 BCAEMP NC(=O)C1CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000040431151 181217999 /nfs/dbraw/zinc/21/79/99/181217999.db2.gz MHPQGWMFHPHOEA-ZJUUUORDSA-N 2 1 211.309 0.064 10 0 BCAEMP NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918102 181224666 /nfs/dbraw/zinc/22/46/66/181224666.db2.gz CDVHDCCDPLUOKQ-WDEREUQCSA-N 2 1 225.336 0.326 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1CNc1cc[nH+]cc1Cl ZINC000420252669 192188372 /nfs/dbraw/zinc/18/83/72/192188372.db2.gz OJLWNIZIVUTQNG-XCBNKYQSSA-N 2 1 227.695 0.149 10 0 BCAEMP NC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000051918924 181282569 /nfs/dbraw/zinc/28/25/69/181282569.db2.gz WJBUMHZMWGQUHQ-GHMZBOCLSA-N 2 1 225.336 0.326 10 0 BCAEMP CC(C)C[N@@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075617 538509913 /nfs/dbraw/zinc/50/99/13/538509913.db2.gz SIMZGHHTDFTVTJ-SNVBAGLBSA-N 2 1 226.320 0.479 10 0 BCAEMP CC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000389477320 356685657 /nfs/dbraw/zinc/68/56/57/356685657.db2.gz WNGNKQXXNLQQFF-WCQYABFASA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000389477320 356685660 /nfs/dbraw/zinc/68/56/60/356685660.db2.gz WNGNKQXXNLQQFF-WCQYABFASA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000389477320 356685664 /nfs/dbraw/zinc/68/56/64/356685664.db2.gz WNGNKQXXNLQQFF-WCQYABFASA-N 2 1 241.379 0.125 10 0 BCAEMP CC[N@H+]1CC[C@@H](NC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000389477321 356686267 /nfs/dbraw/zinc/68/62/67/356686267.db2.gz WNGNKQXXNLQQFF-YPMHNXCESA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000389477321 356686270 /nfs/dbraw/zinc/68/62/70/356686270.db2.gz WNGNKQXXNLQQFF-YPMHNXCESA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000389477321 356686272 /nfs/dbraw/zinc/68/62/72/356686272.db2.gz WNGNKQXXNLQQFF-YPMHNXCESA-N 2 1 241.379 0.125 10 0 BCAEMP Cn1cc[nH+]c1CCC1=C[C@@H](O)C[NH2+]C1 ZINC000675076893 538512899 /nfs/dbraw/zinc/51/28/99/538512899.db2.gz GUIJPTMGEAMVIO-SNVBAGLBSA-N 2 1 207.277 0.243 10 0 BCAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@H+]1CCCOCC1 ZINC000685950477 538894046 /nfs/dbraw/zinc/89/40/46/538894046.db2.gz AACLQRIMKWHEEC-QWRGUYRKSA-N 2 1 212.337 0.953 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233481377 357725389 /nfs/dbraw/zinc/72/53/89/357725389.db2.gz YTQGKAOJZBVHGV-GRYCIOLGSA-N 2 1 239.363 0.442 10 0 BCAEMP CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000086188878 357871832 /nfs/dbraw/zinc/87/18/32/357871832.db2.gz NULDYXIVCWEVIW-MNOVXSKESA-N 2 1 227.352 0.666 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[NH2+]C ZINC000086188882 357872445 /nfs/dbraw/zinc/87/24/45/357872445.db2.gz PJBSGIHNVIOUQJ-NSHDSACASA-N 2 1 227.352 0.539 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCC[NH3+] ZINC000086188859 357872587 /nfs/dbraw/zinc/87/25/87/357872587.db2.gz HNUJXSHLLWVUMJ-LLVKDONJSA-N 2 1 227.352 0.668 10 0 BCAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)O ZINC000168967224 358001675 /nfs/dbraw/zinc/00/16/75/358001675.db2.gz NJHNTAXHQHQNKX-UWVGGRQHSA-N 2 1 200.326 0.959 10 0 BCAEMP C1CC1[N@H+]1CC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000168742180 134248061 /nfs/dbraw/zinc/24/80/61/134248061.db2.gz XRAGHHIXYQXNAA-RYUDHWBXSA-N 2 1 223.364 0.955 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000040503652 358237487 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/nfs/dbraw/zinc/39/24/26/181392426.db2.gz LKRSUEODZDWQAF-SECBINFHSA-N 2 1 225.292 0.003 10 0 BCAEMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)NC2CC2)C1 ZINC000070074097 181409534 /nfs/dbraw/zinc/40/95/34/181409534.db2.gz DHAWCCNBULIFNI-LLVKDONJSA-N 2 1 239.363 0.716 10 0 BCAEMP CC(C)[C@H]1[NH2+]CC[C@H]1c1nc(C[NH3+])no1 ZINC000381561711 367430653 /nfs/dbraw/zinc/43/06/53/367430653.db2.gz QNKORTJXPNSXCF-VXNVDRBHSA-N 2 1 210.281 0.630 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@H+](CC[S@](C)=O)C1 ZINC000252932836 368169309 /nfs/dbraw/zinc/16/93/09/368169309.db2.gz CJQUGCOSVXCBLG-HZMBPMFUSA-N 2 1 218.366 0.296 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC[S@](C)=O)C1 ZINC000252932836 368169314 /nfs/dbraw/zinc/16/93/14/368169314.db2.gz CJQUGCOSVXCBLG-HZMBPMFUSA-N 2 1 218.366 0.296 10 0 BCAEMP C[C@@H]1C[N@@H+](CCCc2cncn2C)C[C@@H]1C[NH3+] ZINC000631836996 369091723 /nfs/dbraw/zinc/09/17/23/369091723.db2.gz LINQNLLGQDHIJF-NEPJUHHUSA-N 2 1 236.363 0.879 10 0 BCAEMP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000631841759 369357967 /nfs/dbraw/zinc/35/79/67/369357967.db2.gz PHODGROSMMTJIE-MFKMUULPSA-N 2 1 247.342 0.812 10 0 BCAEMP C[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000631842577 369368000 /nfs/dbraw/zinc/36/80/00/369368000.db2.gz CCIZUGICIZUQCH-MNOVXSKESA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000631842577 369368005 /nfs/dbraw/zinc/36/80/05/369368005.db2.gz CCIZUGICIZUQCH-MNOVXSKESA-N 2 1 239.363 0.572 10 0 BCAEMP Nc1cc[nH+]cc1C(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000226561020 371699010 /nfs/dbraw/zinc/69/90/10/371699010.db2.gz KFZXFKJXJQWVMM-HTQZYQBOSA-N 2 1 203.245 0.750 10 0 BCAEMP C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)C[C@@H]1C[NH3+] ZINC000631837102 372627524 /nfs/dbraw/zinc/62/75/24/372627524.db2.gz MUSJUZDXDVHRSJ-KXUCPTDWSA-N 2 1 234.290 0.937 10 0 BCAEMP Cc1noc(CCC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631837065 372627898 /nfs/dbraw/zinc/62/78/98/372627898.db2.gz MJHGGDLPEDEBRP-ONGXEEELSA-N 2 1 238.335 0.837 10 0 BCAEMP Cc1nnsc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837544 372630223 /nfs/dbraw/zinc/63/02/23/372630223.db2.gz TWYJVNHXEAALCW-APPZFPTMSA-N 2 1 226.349 0.873 10 0 BCAEMP Cc1nnsc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837544 372630225 /nfs/dbraw/zinc/63/02/25/372630225.db2.gz TWYJVNHXEAALCW-APPZFPTMSA-N 2 1 226.349 0.873 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000631843200 372640415 /nfs/dbraw/zinc/64/04/15/372640415.db2.gz KITHDGANFOFODR-NWDGAFQWSA-N 2 1 239.363 0.526 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000631843200 372640418 /nfs/dbraw/zinc/64/04/18/372640418.db2.gz KITHDGANFOFODR-NWDGAFQWSA-N 2 1 239.363 0.526 10 0 BCAEMP C[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1C[NH3+] ZINC000631841949 372641182 /nfs/dbraw/zinc/64/11/82/372641182.db2.gz SFFKLXWWAHLKHB-QWRGUYRKSA-N 2 1 225.336 0.135 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843201 372641718 /nfs/dbraw/zinc/64/17/18/372641718.db2.gz KITHDGANFOFODR-RYUDHWBXSA-N 2 1 239.363 0.526 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843201 372641722 /nfs/dbraw/zinc/64/17/22/372641722.db2.gz KITHDGANFOFODR-RYUDHWBXSA-N 2 1 239.363 0.526 10 0 BCAEMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844072 372643253 /nfs/dbraw/zinc/64/32/53/372643253.db2.gz UZLFMOHHDPLJNG-WDEREUQCSA-N 2 1 241.379 0.818 10 0 BCAEMP CCC(C)(C)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844072 372643257 /nfs/dbraw/zinc/64/32/57/372643257.db2.gz UZLFMOHHDPLJNG-WDEREUQCSA-N 2 1 241.379 0.818 10 0 BCAEMP CCc1[nH]c(CN2CCO[C@H](C[NH3+])C2)c(C)[nH+]1 ZINC000067674827 372844217 /nfs/dbraw/zinc/84/42/17/372844217.db2.gz ZTTOIXVRHZVGRJ-SNVBAGLBSA-N 2 1 238.335 0.440 10 0 BCAEMP NC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000141496842 372964145 /nfs/dbraw/zinc/96/41/45/372964145.db2.gz BGFHKPCSNYEKPN-NSHDSACASA-N 2 1 218.304 0.744 10 0 BCAEMP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042823 182097638 /nfs/dbraw/zinc/09/76/38/182097638.db2.gz PNRZLMSWZHCKAR-LBPRGKRZSA-N 2 1 237.347 0.481 10 0 BCAEMP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042823 182097641 /nfs/dbraw/zinc/09/76/41/182097641.db2.gz PNRZLMSWZHCKAR-LBPRGKRZSA-N 2 1 237.347 0.481 10 0 BCAEMP O=C(NC1CC1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042822 182098755 /nfs/dbraw/zinc/09/87/55/182098755.db2.gz PNRZLMSWZHCKAR-GFCCVEGCSA-N 2 1 237.347 0.481 10 0 BCAEMP O=C(NC1CC1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042822 182098756 /nfs/dbraw/zinc/09/87/56/182098756.db2.gz PNRZLMSWZHCKAR-GFCCVEGCSA-N 2 1 237.347 0.481 10 0 BCAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000044726735 182334851 /nfs/dbraw/zinc/33/48/51/182334851.db2.gz LAFKLUBSYFAUAH-QWRGUYRKSA-N 2 1 237.347 0.339 10 0 BCAEMP OC1(C[N@H+]2CCCSCC2)CC[NH2+]CC1 ZINC000051016336 183019429 /nfs/dbraw/zinc/01/94/29/183019429.db2.gz LAKFRVWODIRZIN-UHFFFAOYSA-N 2 1 230.377 0.540 10 0 BCAEMP OCC[NH+]1CCN(CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000058267127 183075140 /nfs/dbraw/zinc/07/51/40/183075140.db2.gz IXGLOHNVNKAJQY-ZDUSSCGKSA-N 2 1 241.379 0.129 10 0 BCAEMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000037619608 169007479 /nfs/dbraw/zinc/00/74/79/169007479.db2.gz FYNUHFFKMGPEOB-SDDRHHMPSA-N 2 1 239.363 0.857 10 0 BCAEMP OC[C@H](C1CCOCC1)[N@H+]1CCC[NH2+]CC1 ZINC000052179713 183135666 /nfs/dbraw/zinc/13/56/66/183135666.db2.gz IBMCJLSVFZHICT-GFCCVEGCSA-N 2 1 228.336 0.069 10 0 BCAEMP CCCN(C)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037098097 169087284 /nfs/dbraw/zinc/08/72/84/169087284.db2.gz XXPBWQAEXNSJBD-LBPRGKRZSA-N 2 1 211.353 0.751 10 0 BCAEMP CCC[N@H+]([C@@H](C)C(=O)NCC)C1CC[NH2+]CC1 ZINC000037539340 169091644 /nfs/dbraw/zinc/09/16/44/169091644.db2.gz SQXIBFJFBZCNIU-NSHDSACASA-N 2 1 241.379 0.975 10 0 BCAEMP CCC[N@@H+]([C@@H](C)C(=O)NCC)C1CC[NH2+]CC1 ZINC000037539340 169091646 /nfs/dbraw/zinc/09/16/46/169091646.db2.gz SQXIBFJFBZCNIU-NSHDSACASA-N 2 1 241.379 0.975 10 0 BCAEMP CCC[NH+]1CCC([NH2+][C@H]2COC[C@H]2O)CC1 ZINC000049555235 169189609 /nfs/dbraw/zinc/18/96/09/169189609.db2.gz SBSWIGYTPUZREA-NWDGAFQWSA-N 2 1 228.336 0.210 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000019411939 169201386 /nfs/dbraw/zinc/20/13/86/169201386.db2.gz KBPKWOHXALSUTP-LLVKDONJSA-N 2 1 225.336 0.293 10 0 BCAEMP CCC[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000042372720 169201941 /nfs/dbraw/zinc/20/19/41/169201941.db2.gz MZAMXIAMIKQUHE-UHFFFAOYSA-N 2 1 213.325 0.278 10 0 BCAEMP CCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036780837 169228563 /nfs/dbraw/zinc/22/85/63/169228563.db2.gz YQVRNGPBLDZVFF-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036780837 169228565 /nfs/dbraw/zinc/22/85/65/169228565.db2.gz YQVRNGPBLDZVFF-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCC[NH2+]CCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438681 169256725 /nfs/dbraw/zinc/25/67/25/169256725.db2.gz UTITYLVBPDZEDF-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042795 169248330 /nfs/dbraw/zinc/24/83/30/169248330.db2.gz RXAPWBIKJDWOCF-GFCCVEGCSA-N 2 1 239.363 0.729 10 0 BCAEMP CCCNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042795 169248331 /nfs/dbraw/zinc/24/83/31/169248331.db2.gz RXAPWBIKJDWOCF-GFCCVEGCSA-N 2 1 239.363 0.729 10 0 BCAEMP CCC[NH2+][C@H](CC[N@@H+]1CCC[C@H](C)C1)C(N)=O ZINC000062441049 169288885 /nfs/dbraw/zinc/28/88/85/169288885.db2.gz KJDFSHDODFFPSP-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[NH2+][C@H](CC[N@H+]1CCC[C@H](C)C1)C(N)=O ZINC000062441049 169288886 /nfs/dbraw/zinc/28/88/86/169288886.db2.gz KJDFSHDODFFPSP-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000036790720 169366798 /nfs/dbraw/zinc/36/67/98/169366798.db2.gz KEZRREWACFOGMS-NEPJUHHUSA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178387 169367458 /nfs/dbraw/zinc/36/74/58/169367458.db2.gz OMPZUUFCGNNRQO-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649668 169389522 /nfs/dbraw/zinc/38/95/22/169389522.db2.gz UQECCAKCLSUPFL-CMPLNLGQSA-N 2 1 239.363 0.714 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)CCC ZINC000226406927 169389878 /nfs/dbraw/zinc/38/98/78/169389878.db2.gz VPHURFQQBGUKOX-LLVKDONJSA-N 2 1 229.368 0.962 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484145 169390848 /nfs/dbraw/zinc/39/08/48/169390848.db2.gz LIBPAYKIQVGIIL-GHMZBOCLSA-N 2 1 227.352 0.572 10 0 BCAEMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000119880196 383916816 /nfs/dbraw/zinc/91/68/16/383916816.db2.gz CYSDNCFJBYZACZ-NWDGAFQWSA-N 2 1 241.379 0.927 10 0 BCAEMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000400343482 384194879 /nfs/dbraw/zinc/19/48/79/384194879.db2.gz IFCGKZZSZVVEKY-QJPTWQEYSA-N 2 1 211.353 0.668 10 0 BCAEMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CC[NH2+]C1 ZINC000400343482 384194881 /nfs/dbraw/zinc/19/48/81/384194881.db2.gz IFCGKZZSZVVEKY-QJPTWQEYSA-N 2 1 211.353 0.668 10 0 BCAEMP c1cc2c(nc[nH+]c2NC[C@@H]2C[NH2+]CCOC2)[nH]1 ZINC000072171411 384198775 /nfs/dbraw/zinc/19/87/75/384198775.db2.gz YVYBPVHLDAFCIA-VIFPVBQESA-N 2 1 247.302 0.606 10 0 BCAEMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1C ZINC000647512572 384407292 /nfs/dbraw/zinc/40/72/92/384407292.db2.gz CALWRMXKAANQGB-UHTWSYAYSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nn1C ZINC000647512572 384407295 /nfs/dbraw/zinc/40/72/95/384407295.db2.gz CALWRMXKAANQGB-UHTWSYAYSA-N 2 1 234.347 0.898 10 0 BCAEMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335657997 384458215 /nfs/dbraw/zinc/45/82/15/384458215.db2.gz RDCJHWQVJFRSPN-JQWIXIFHSA-N 2 1 237.347 0.434 10 0 BCAEMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335657996 384458857 /nfs/dbraw/zinc/45/88/57/384458857.db2.gz RDCJHWQVJFRSPN-CMPLNLGQSA-N 2 1 237.347 0.434 10 0 BCAEMP Cn1cncc1[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C ZINC000085168897 384508434 /nfs/dbraw/zinc/50/84/34/384508434.db2.gz BNYHESMNDBMAIR-KOLCDFICSA-N 2 1 208.309 0.762 10 0 BCAEMP Cn1cncc1[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C ZINC000085168897 384508439 /nfs/dbraw/zinc/50/84/39/384508439.db2.gz BNYHESMNDBMAIR-KOLCDFICSA-N 2 1 208.309 0.762 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000236855323 384661793 /nfs/dbraw/zinc/66/17/93/384661793.db2.gz GXKSXNBTHMELBS-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327209 384765050 /nfs/dbraw/zinc/76/50/50/384765050.db2.gz SLWOVJPURIINBS-MNOVXSKESA-N 2 1 228.336 0.856 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000227801024 385245339 /nfs/dbraw/zinc/24/53/39/385245339.db2.gz OZRHZZTZRBUMRX-NXEZZACHSA-N 2 1 225.336 0.324 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000228152971 385348982 /nfs/dbraw/zinc/34/89/82/385348982.db2.gz WJGPEKXSWFKYJX-GXSJLCMTSA-N 2 1 222.336 0.898 10 0 BCAEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000257771882 385494186 /nfs/dbraw/zinc/49/41/86/385494186.db2.gz OMGJTPSMIVSZIR-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1C[C@](O)(C(C)(C)C[NH3+])CC[N@H+]1C ZINC000157182522 385490496 /nfs/dbraw/zinc/49/04/96/385490496.db2.gz WCCXZTLNPYSRNQ-KOLCDFICSA-N 2 1 200.326 0.817 10 0 BCAEMP CN(C)c1nc(N2CCC(C)([NH3+])CC2)cc[nH+]1 ZINC000643029108 385524544 /nfs/dbraw/zinc/52/45/44/385524544.db2.gz JCAHBEJTEGPITR-UHFFFAOYSA-N 2 1 235.335 0.860 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000054075168 385595186 /nfs/dbraw/zinc/59/51/86/385595186.db2.gz VSXQAZDAFREIJB-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000054075168 385595189 /nfs/dbraw/zinc/59/51/89/385595189.db2.gz VSXQAZDAFREIJB-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP c1cn2c([nH+]1)CC[C@@H](NCc1csnn1)C2 ZINC000309611494 385746100 /nfs/dbraw/zinc/74/61/00/385746100.db2.gz MULFHWFFZVJDSF-MRVPVSSYSA-N 2 1 235.316 0.839 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638107343 385834860 /nfs/dbraw/zinc/83/48/60/385834860.db2.gz HPFHFRYDPMPVNY-MNOVXSKESA-N 2 1 225.336 0.291 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638107344 385835539 /nfs/dbraw/zinc/83/55/39/385835539.db2.gz HPFHFRYDPMPVNY-QWRGUYRKSA-N 2 1 225.336 0.291 10 0 BCAEMP CC[N@H+](CCO)CCNc1cc(C)[nH+]c(C)n1 ZINC000274416452 386102228 /nfs/dbraw/zinc/10/22/28/386102228.db2.gz POTFSNCMARARLX-UHFFFAOYSA-N 2 1 238.335 0.820 10 0 BCAEMP CC[N@@H+](CCO)CCNc1cc(C)[nH+]c(C)n1 ZINC000274416452 386102229 /nfs/dbraw/zinc/10/22/29/386102229.db2.gz POTFSNCMARARLX-UHFFFAOYSA-N 2 1 238.335 0.820 10 0 BCAEMP C[NH+](C)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310339775 386174871 /nfs/dbraw/zinc/17/48/71/386174871.db2.gz MKELPSQWCIVWNZ-OLZOCXBDSA-N 2 1 241.379 0.077 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000310546561 386201063 /nfs/dbraw/zinc/20/10/63/386201063.db2.gz SLSDNODKTGOJQV-CHWSQXEVSA-N 2 1 243.395 0.323 10 0 BCAEMP C[NH+](C)C[C@H]1CC[N@@H+](CCCCO)C1 ZINC000336676389 386324531 /nfs/dbraw/zinc/32/45/31/386324531.db2.gz XJMCRDDWBQPQDD-LLVKDONJSA-N 2 1 200.326 0.642 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136207111 386571753 /nfs/dbraw/zinc/57/17/53/386571753.db2.gz YTCDWDHNCZLYMF-CYBMUJFWSA-N 2 1 241.379 0.975 10 0 BCAEMP [NH3+][C@@H]1CCO[C@H]1C[NH+]1CCSCC1 ZINC000575450356 386786231 /nfs/dbraw/zinc/78/62/31/386786231.db2.gz LFWIJAATZBPZBA-BDAKNGLRSA-N 2 1 202.323 0.151 10 0 BCAEMP CC[C@@H](COC)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151335387 387823308 /nfs/dbraw/zinc/82/33/08/387823308.db2.gz ZMYHYVBNEGHQTD-STQMWFEESA-N 2 1 244.379 0.848 10 0 BCAEMP CC[C@H](COC)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151335548 387823886 /nfs/dbraw/zinc/82/38/86/387823886.db2.gz ZMYHYVBNEGHQTD-CHWSQXEVSA-N 2 1 244.379 0.848 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000040503635 387836263 /nfs/dbraw/zinc/83/62/63/387836263.db2.gz JFXCAGRZGXVKIM-NXEZZACHSA-N 2 1 213.325 0.324 10 0 BCAEMP O=C(C[NH2+]C[C@H]1CCC[NH2+]C1)NCC1CC1 ZINC000393192976 387864773 /nfs/dbraw/zinc/86/47/73/387864773.db2.gz AIOBEDKFAXHWCW-NSHDSACASA-N 2 1 225.336 0.102 10 0 BCAEMP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[C@H](C)[NH3+] ZINC000261531518 135108545 /nfs/dbraw/zinc/10/85/45/135108545.db2.gz GWOBZMNSDWPLQK-BBBLOLIVSA-N 2 1 213.325 0.132 10 0 BCAEMP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[C@H](C)[NH3+] ZINC000261531518 135108548 /nfs/dbraw/zinc/10/85/48/135108548.db2.gz GWOBZMNSDWPLQK-BBBLOLIVSA-N 2 1 213.325 0.132 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085009382 388083261 /nfs/dbraw/zinc/08/32/61/388083261.db2.gz IMNYNRMUARPHCW-GHMZBOCLSA-N 2 1 225.336 0.278 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccsc1 ZINC000261528303 135153308 /nfs/dbraw/zinc/15/33/08/135153308.db2.gz MLFYOQWXTAZFJH-ZJUUUORDSA-N 2 1 212.318 0.418 10 0 BCAEMP CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[NH2+]C1 ZINC000393613240 388435408 /nfs/dbraw/zinc/43/54/08/388435408.db2.gz DELPRWNGIHOWHI-VIFPVBQESA-N 2 1 200.326 0.735 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@@H]12 ZINC000261551852 388643590 /nfs/dbraw/zinc/64/35/90/388643590.db2.gz MKVINDAILPDHFN-IJLUTSLNSA-N 2 1 237.347 0.182 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@@H]12 ZINC000261551852 388643593 /nfs/dbraw/zinc/64/35/93/388643593.db2.gz MKVINDAILPDHFN-IJLUTSLNSA-N 2 1 237.347 0.182 10 0 BCAEMP C[C@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000250803635 388740741 /nfs/dbraw/zinc/74/07/41/388740741.db2.gz PSIFQVKECNDDPM-WCQYABFASA-N 2 1 237.347 0.435 10 0 BCAEMP C[C@H](O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248644355 388687948 /nfs/dbraw/zinc/68/79/48/388687948.db2.gz FFTBSRQPGHBHLM-RYUDHWBXSA-N 2 1 244.379 0.392 10 0 BCAEMP [NH3+]CCCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000069733433 388862534 /nfs/dbraw/zinc/86/25/34/388862534.db2.gz CZNOZEOFYHZDFV-NSHDSACASA-N 2 1 225.336 0.422 10 0 BCAEMP COCC[N@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566091052 388984609 /nfs/dbraw/zinc/98/46/09/388984609.db2.gz YOSSZVPTVPRABU-CHWSQXEVSA-N 2 1 243.395 0.542 10 0 BCAEMP COCC[N@@H+](C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566091052 388984611 /nfs/dbraw/zinc/98/46/11/388984611.db2.gz YOSSZVPTVPRABU-CHWSQXEVSA-N 2 1 243.395 0.542 10 0 BCAEMP Cc1cc(N2CC[NH2+]C[C@H]2C)nc(C)[nH+]1 ZINC000054374926 132233880 /nfs/dbraw/zinc/23/38/80/132233880.db2.gz HHTNCYOHXRGKCJ-SECBINFHSA-N 2 1 206.293 0.892 10 0 BCAEMP CN(C)c1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000057328774 132300987 /nfs/dbraw/zinc/30/09/87/132300987.db2.gz QJJJCHCXTWUGHH-UHFFFAOYSA-N 2 1 247.346 0.441 10 0 BCAEMP Cc1cc(CC[NH3+])nc(N2CC[NH+](C)CC2)n1 ZINC000020388613 132331520 /nfs/dbraw/zinc/33/15/20/132331520.db2.gz PZKQTLURUTUMGG-UHFFFAOYSA-N 2 1 235.335 0.038 10 0 BCAEMP [NH3+]CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000037712742 132344955 /nfs/dbraw/zinc/34/49/55/132344955.db2.gz MCHLJGQZTUVOPP-UHFFFAOYSA-N 3 1 220.320 0.599 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000178836044 134315638 /nfs/dbraw/zinc/31/56/38/134315638.db2.gz ZTLDNVHZGJOJIA-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]cn2)C[C@H]1C ZINC000179506327 134321093 /nfs/dbraw/zinc/32/10/93/134321093.db2.gz IUORZBYFERPDJU-GHMZBOCLSA-N 2 1 238.335 0.297 10 0 BCAEMP CCOC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000250513724 135056304 /nfs/dbraw/zinc/05/63/04/135056304.db2.gz ODSSGWWHXCSBKV-RYUDHWBXSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000250513724 135056306 /nfs/dbraw/zinc/05/63/06/135056306.db2.gz ODSSGWWHXCSBKV-RYUDHWBXSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000250513724 135056307 /nfs/dbraw/zinc/05/63/07/135056307.db2.gz ODSSGWWHXCSBKV-RYUDHWBXSA-N 2 1 230.352 0.267 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000250589498 135056439 /nfs/dbraw/zinc/05/64/39/135056439.db2.gz QJEKGRNXYZKLGN-STQMWFEESA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000250589498 135056440 /nfs/dbraw/zinc/05/64/40/135056440.db2.gz QJEKGRNXYZKLGN-STQMWFEESA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000250589498 135056441 /nfs/dbraw/zinc/05/64/41/135056441.db2.gz QJEKGRNXYZKLGN-STQMWFEESA-N 2 1 244.379 0.656 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251792371 135078040 /nfs/dbraw/zinc/07/80/40/135078040.db2.gz NLZILMQWGWJIAO-NXEZZACHSA-N 2 1 235.335 0.716 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251855748 135079293 /nfs/dbraw/zinc/07/92/93/135079293.db2.gz RYRGPLUZRAKPGS-TUAOUCFPSA-N 2 1 239.363 0.809 10 0 BCAEMP Cc1c(C[NH+]2CCC([NH3+])CC2)cnn1C ZINC000086552419 135089493 /nfs/dbraw/zinc/08/94/93/135089493.db2.gz AWLCPFKTLLCVMD-UHFFFAOYSA-N 2 1 208.309 0.652 10 0 BCAEMP C[C@]1(CN2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000086933098 135102636 /nfs/dbraw/zinc/10/26/36/135102636.db2.gz GAVXKCVPVXOCGS-OLZOCXBDSA-N 2 1 223.364 0.766 10 0 BCAEMP C1CC1[NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261556527 135108603 /nfs/dbraw/zinc/10/86/03/135108603.db2.gz WADYHBJIOSGKEJ-SDDRHHMPSA-N 2 1 210.321 0.896 10 0 BCAEMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261543607 135108819 /nfs/dbraw/zinc/10/88/19/135108819.db2.gz DBXUXCPKPZNTFR-QJPTWQEYSA-N 2 1 239.363 0.428 10 0 BCAEMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261543607 135108822 /nfs/dbraw/zinc/10/88/22/135108822.db2.gz DBXUXCPKPZNTFR-QJPTWQEYSA-N 2 1 239.363 0.428 10 0 BCAEMP CC(C)(O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261529494 135155721 /nfs/dbraw/zinc/15/57/21/135155721.db2.gz SPICBADPRIVDQL-VIFPVBQESA-N 2 1 200.326 0.817 10 0 BCAEMP C[N@@H+](CC1CC(O)C1)CC1CC[NH2+]CC1 ZINC000087647890 135160954 /nfs/dbraw/zinc/16/09/54/135160954.db2.gz OTNJHKPIPOMBDJ-UHFFFAOYSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000261533339 135165161 /nfs/dbraw/zinc/16/51/61/135165161.db2.gz GUDCKUFZGKABDZ-OUAUKWLOSA-N 2 1 225.336 0.276 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000261533339 135165162 /nfs/dbraw/zinc/16/51/62/135165162.db2.gz GUDCKUFZGKABDZ-OUAUKWLOSA-N 2 1 225.336 0.276 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000261533340 135165292 /nfs/dbraw/zinc/16/52/92/135165292.db2.gz GUDCKUFZGKABDZ-VWYCJHECSA-N 2 1 225.336 0.276 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000261533340 135165293 /nfs/dbraw/zinc/16/52/93/135165293.db2.gz GUDCKUFZGKABDZ-VWYCJHECSA-N 2 1 225.336 0.276 10 0 BCAEMP C[N@@H+](CC1CC(O)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261541679 135182246 /nfs/dbraw/zinc/18/22/46/135182246.db2.gz GAWPHSNRDLVHAU-HTAVTVPLSA-N 2 1 212.337 0.689 10 0 BCAEMP Cc1ncsc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000261542024 135182753 /nfs/dbraw/zinc/18/27/53/135182753.db2.gz GIPDUDMBNQMOMM-RKDXNWHRSA-N 2 1 227.333 0.121 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544921 135185961 /nfs/dbraw/zinc/18/59/61/135185961.db2.gz FGOKOAJBPLLCDK-BJDJZHNGSA-N 2 1 239.363 0.570 10 0 BCAEMP Cn1cc(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000261544956 135186172 /nfs/dbraw/zinc/18/61/72/135186172.db2.gz FKADFEQQHXRNIB-CHWSQXEVSA-N 2 1 234.347 0.504 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544922 135186188 /nfs/dbraw/zinc/18/61/88/135186188.db2.gz FGOKOAJBPLLCDK-FIQHERPVSA-N 2 1 239.363 0.570 10 0 BCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[NH3+] ZINC000261548384 135187058 /nfs/dbraw/zinc/18/70/58/135187058.db2.gz NQNJDSUMBBERQI-LLVKDONJSA-N 2 1 235.331 0.582 10 0 BCAEMP C[C@]1(C[N@H+]2CC[C@H](CCO)C2)CC[NH2+]C1 ZINC000261550563 135189476 /nfs/dbraw/zinc/18/94/76/135189476.db2.gz PNZATOBDICAGHZ-NEPJUHHUSA-N 2 1 212.337 0.690 10 0 BCAEMP CN(C)c1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000261554001 135193888 /nfs/dbraw/zinc/19/38/88/135193888.db2.gz ANURYRXIUKRAGK-GARJFASQSA-N 2 1 247.346 0.716 10 0 BCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261554181 135193970 /nfs/dbraw/zinc/19/39/70/135193970.db2.gz UASQZMFNCKYHPX-PWSUYJOCSA-N 2 1 212.337 0.689 10 0 BCAEMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC1(CO)CC1 ZINC000261557218 135197758 /nfs/dbraw/zinc/19/77/58/135197758.db2.gz XBMPKKFVDYCMMW-LLVKDONJSA-N 2 1 212.337 0.690 10 0 BCAEMP Cc1cnn(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261565835 135207975 /nfs/dbraw/zinc/20/79/75/135207975.db2.gz YORJQCWYAQUCTK-AVGNSLFASA-N 2 1 234.347 0.861 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]12 ZINC000261583367 135224189 /nfs/dbraw/zinc/22/41/89/135224189.db2.gz OYJSFOZLWHZISI-JMJZKYOTSA-N 2 1 206.293 0.579 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]12 ZINC000261583367 135224191 /nfs/dbraw/zinc/22/41/91/135224191.db2.gz OYJSFOZLWHZISI-JMJZKYOTSA-N 2 1 206.293 0.579 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cnn1C ZINC000261589103 135230232 /nfs/dbraw/zinc/23/02/32/135230232.db2.gz SYWBNCAGXJRNCJ-LBPRGKRZSA-N 2 1 222.336 0.899 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cnn1C ZINC000261589103 135230234 /nfs/dbraw/zinc/23/02/34/135230234.db2.gz SYWBNCAGXJRNCJ-LBPRGKRZSA-N 2 1 222.336 0.899 10 0 BCAEMP CC(=O)N[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261751278 135250011 /nfs/dbraw/zinc/25/00/11/135250011.db2.gz JVAAAVQUASTHNP-CHWSQXEVSA-N 2 1 239.363 0.587 10 0 BCAEMP CC(=O)N[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261751278 135250012 /nfs/dbraw/zinc/25/00/12/135250012.db2.gz JVAAAVQUASTHNP-CHWSQXEVSA-N 2 1 239.363 0.587 10 0 BCAEMP O=C1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758796 135251001 /nfs/dbraw/zinc/25/10/01/135251001.db2.gz CSQPXQXQOZWOPW-AAEUAGOBSA-N 2 1 237.347 0.198 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000261766349 135251810 /nfs/dbraw/zinc/25/18/10/135251810.db2.gz OVMHZTOHPUXGLB-GHMZBOCLSA-N 2 1 227.352 0.585 10 0 BCAEMP CC1(C)C[N@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000261779688 135252582 /nfs/dbraw/zinc/25/25/82/135252582.db2.gz TUKZUIPQUBHJBX-LLVKDONJSA-N 2 1 239.363 0.668 10 0 BCAEMP CC1(C)C[N@@H+](CCN2CCCC2=O)CC[C@H]1[NH3+] ZINC000261779688 135252583 /nfs/dbraw/zinc/25/25/83/135252583.db2.gz TUKZUIPQUBHJBX-LLVKDONJSA-N 2 1 239.363 0.668 10 0 BCAEMP C[C@]1(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)CC[NH2+]C1 ZINC000261914100 135262806 /nfs/dbraw/zinc/26/28/06/135262806.db2.gz YXHIUOVTUPRXHI-AAEUAGOBSA-N 2 1 249.362 0.984 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000261926507 135263351 /nfs/dbraw/zinc/26/33/51/135263351.db2.gz ZNEJQISGOHXJMT-QWRGUYRKSA-N 2 1 239.363 0.857 10 0 BCAEMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1F ZINC000262143625 135281243 /nfs/dbraw/zinc/28/12/43/135281243.db2.gz PYZLNLAJWQRINO-DGCLKSJQSA-N 2 1 238.306 0.804 10 0 BCAEMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000262544790 135305157 /nfs/dbraw/zinc/30/51/57/135305157.db2.gz ZOCDQILURJUOOU-MNOVXSKESA-N 2 1 227.352 0.714 10 0 BCAEMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262689181 135314045 /nfs/dbraw/zinc/31/40/45/135314045.db2.gz FLOOSYBCKKYXHG-SFYZADRCSA-N 2 1 235.278 0.214 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000263217825 135339882 /nfs/dbraw/zinc/33/98/82/135339882.db2.gz LEJWPZJSPAHLBD-OLZOCXBDSA-N 2 1 247.342 0.325 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000263216204 135340110 /nfs/dbraw/zinc/34/01/10/135340110.db2.gz KXRXQEKXLPUISP-PWSUYJOCSA-N 2 1 224.279 0.496 10 0 BCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000263260210 135343498 /nfs/dbraw/zinc/34/34/98/135343498.db2.gz GFDGARKWMPDBSB-MNOVXSKESA-N 2 1 239.363 0.442 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000263270640 135343718 /nfs/dbraw/zinc/34/37/18/135343718.db2.gz SCNCVMOTAPMGJJ-AAEUAGOBSA-N 2 1 246.314 0.233 10 0 BCAEMP CC(C)n1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263312595 135345764 /nfs/dbraw/zinc/34/57/64/135345764.db2.gz YZHBQUIHZPGWES-NWDGAFQWSA-N 2 1 238.335 0.134 10 0 BCAEMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335388059 136089672 /nfs/dbraw/zinc/08/96/72/136089672.db2.gz BFHSYECAPLNCEQ-VXGBXAGGSA-N 2 1 239.363 0.809 10 0 BCAEMP C[N@H+]1CC[C@@]2(CC[NH+](CC3(O)CCC3)C2)C1 ZINC000335571568 136109671 /nfs/dbraw/zinc/10/96/71/136109671.db2.gz HDHSEVLCWHWFOI-GFCCVEGCSA-N 2 1 224.348 0.929 10 0 BCAEMP C[NH+]1CC[C@@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000335571568 136109672 /nfs/dbraw/zinc/10/96/72/136109672.db2.gz HDHSEVLCWHWFOI-GFCCVEGCSA-N 2 1 224.348 0.929 10 0 BCAEMP C[N@H+]1CC[C@]2(CC[NH+](CC3(O)CCC3)C2)C1 ZINC000335571570 136109703 /nfs/dbraw/zinc/10/97/03/136109703.db2.gz HDHSEVLCWHWFOI-LBPRGKRZSA-N 2 1 224.348 0.929 10 0 BCAEMP C[NH+]1CC[C@]2(CC[N@H+](CC3(O)CCC3)C2)C1 ZINC000335571570 136109704 /nfs/dbraw/zinc/10/97/04/136109704.db2.gz HDHSEVLCWHWFOI-LBPRGKRZSA-N 2 1 224.348 0.929 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O)C1CC1 ZINC000383581372 398030075 /nfs/dbraw/zinc/03/00/75/398030075.db2.gz LZWLEWQSYCBGDC-FRRDWIJNSA-N 2 1 242.363 0.335 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O)C1CC1 ZINC000383581372 398030078 /nfs/dbraw/zinc/03/00/78/398030078.db2.gz LZWLEWQSYCBGDC-FRRDWIJNSA-N 2 1 242.363 0.335 10 0 BCAEMP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000389214692 398050952 /nfs/dbraw/zinc/05/09/52/398050952.db2.gz CMAJTGCAMHDQQW-STQMWFEESA-N 2 1 241.379 0.127 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238157 487562153 /nfs/dbraw/zinc/56/21/53/487562153.db2.gz AKLREDSGRMPJAL-VXGBXAGGSA-N 2 1 244.379 0.438 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238157 487562157 /nfs/dbraw/zinc/56/21/57/487562157.db2.gz AKLREDSGRMPJAL-VXGBXAGGSA-N 2 1 244.379 0.438 10 0 BCAEMP C[C@@H]([NH3+])[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392963 176011632 /nfs/dbraw/zinc/01/16/32/176011632.db2.gz LTSUWQNIBOOUAJ-MNOVXSKESA-N 3 1 213.369 0.996 10 0 BCAEMP C[N@H+]1CCC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000040673656 410883920 /nfs/dbraw/zinc/88/39/20/410883920.db2.gz DPDJHYZWLALFHX-HTAVTVPLSA-N 2 1 239.363 0.714 10 0 BCAEMP CC(C)[N@H+]1CC[C@H](N2CCC[NH2+]CC2)C1 ZINC000045659824 167024505 /nfs/dbraw/zinc/02/45/05/167024505.db2.gz ZOKUQSCVTJIVTA-LBPRGKRZSA-N 2 1 211.353 0.764 10 0 BCAEMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000049900811 167058692 /nfs/dbraw/zinc/05/86/92/167058692.db2.gz VRTWDQLKNIPPLL-LBPRGKRZSA-N 2 1 241.379 0.975 10 0 BCAEMP CC(C)NC(=O)C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049900811 167058694 /nfs/dbraw/zinc/05/86/94/167058694.db2.gz VRTWDQLKNIPPLL-LBPRGKRZSA-N 2 1 241.379 0.975 10 0 BCAEMP CC(C)[NH2+][C@@H](CCO)[C@@H]1CCCC[NH2+]1 ZINC000095088315 167133071 /nfs/dbraw/zinc/13/30/71/167133071.db2.gz UUASSAQXYVIEGB-QWRGUYRKSA-N 2 1 200.326 0.878 10 0 BCAEMP CC1(C)OCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399100131 411014799 /nfs/dbraw/zinc/01/47/99/411014799.db2.gz FTBCLQNDSZNAPD-LBPRGKRZSA-N 2 1 242.363 0.600 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000401969623 411183822 /nfs/dbraw/zinc/18/38/22/411183822.db2.gz YEOCPPIBCNYRGN-WOPDTQHZSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000401969623 411183825 /nfs/dbraw/zinc/18/38/25/411183825.db2.gz YEOCPPIBCNYRGN-WOPDTQHZSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401969623 411183827 /nfs/dbraw/zinc/18/38/27/411183827.db2.gz YEOCPPIBCNYRGN-WOPDTQHZSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401969623 411183829 /nfs/dbraw/zinc/18/38/29/411183829.db2.gz YEOCPPIBCNYRGN-WOPDTQHZSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000128876333 411269803 /nfs/dbraw/zinc/26/98/03/411269803.db2.gz SJRDCXDLQPAWBT-LLVKDONJSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000401741755 411310484 /nfs/dbraw/zinc/31/04/84/411310484.db2.gz HIEIVJJGHRHCDO-AXFHLTTASA-N 2 1 214.353 0.981 10 0 BCAEMP CC1=CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000075423274 168109675 /nfs/dbraw/zinc/10/96/75/168109675.db2.gz FGPIZJOUYAAARJ-UHFFFAOYSA-N 2 1 237.347 0.460 10 0 BCAEMP CCNC(=O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020043073 170064515 /nfs/dbraw/zinc/06/45/15/170064515.db2.gz LQHUEEDSFQHPBX-UHFFFAOYSA-N 2 1 215.341 0.300 10 0 BCAEMP CCNC(=O)[C@@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036794715 170089067 /nfs/dbraw/zinc/08/90/67/170089067.db2.gz CLGLQNBIMAWYHA-IJLUTSLNSA-N 2 1 241.379 0.831 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794715 170089069 /nfs/dbraw/zinc/08/90/69/170089069.db2.gz CLGLQNBIMAWYHA-IJLUTSLNSA-N 2 1 241.379 0.831 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062072003 170095028 /nfs/dbraw/zinc/09/50/28/170095028.db2.gz RNIAQRVHSLANTR-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]CCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000061298221 170111692 /nfs/dbraw/zinc/11/16/92/170111692.db2.gz YZDORONCBIJYID-GFCCVEGCSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C[C@@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031648 170120440 /nfs/dbraw/zinc/12/04/40/170120440.db2.gz WUMDBVRLBJKYOV-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000061274361 170139362 /nfs/dbraw/zinc/13/93/62/170139362.db2.gz APWXAVIZYXHQER-NWDGAFQWSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+][C@@H](CC[N@@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104356407 170145228 /nfs/dbraw/zinc/14/52/28/170145228.db2.gz SFKSWLSIFLPTTL-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@@H](CC[N@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104356407 170145229 /nfs/dbraw/zinc/14/52/29/170145229.db2.gz SFKSWLSIFLPTTL-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@@H]1CCOC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810894 170153021 /nfs/dbraw/zinc/15/30/21/170153021.db2.gz WXQRKOACXDAWHF-NEPJUHHUSA-N 2 1 227.352 0.001 10 0 BCAEMP CC[NH2+][C@H](CC[NH+]1CCCCC1)C(N)=O ZINC000062441885 170161480 /nfs/dbraw/zinc/16/14/80/170161480.db2.gz GJHZRBCKZCRQDR-SNVBAGLBSA-N 2 1 213.325 0.326 10 0 BCAEMP CC[C@@H]1COCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015993 171107056 /nfs/dbraw/zinc/10/70/56/171107056.db2.gz NGOULRPFWWUNCF-LLVKDONJSA-N 2 1 228.336 0.212 10 0 BCAEMP CC[C@H](C(C)C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030879 171241755 /nfs/dbraw/zinc/24/17/55/171241755.db2.gz GTXNVPJYIAKDRK-GFCCVEGCSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[C@H](C)[C@H](C[NH3+])N1CCC[N@@H+](C)CC1 ZINC000037228110 171392256 /nfs/dbraw/zinc/39/22/56/171392256.db2.gz LJZKWSCHOXQVDK-RYUDHWBXSA-N 2 1 213.369 0.997 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000662460085 412183615 /nfs/dbraw/zinc/18/36/15/412183615.db2.gz PSZASMAIFRHLAU-TUAOUCFPSA-N 2 1 239.363 0.680 10 0 BCAEMP CN(C)c1nc(N[C@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000394797937 412200712 /nfs/dbraw/zinc/20/07/12/412200712.db2.gz KUNGGCSPFINRNQ-SSDOTTSWSA-N 2 1 245.277 0.937 10 0 BCAEMP CCS(=O)(=O)C1(C[NH2+]C2CC[NH2+]CC2)CC1 ZINC000665275266 412218566 /nfs/dbraw/zinc/21/85/66/412218566.db2.gz GKHCFTSHRCMLKB-UHFFFAOYSA-N 2 1 246.376 0.295 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619170 412244595 /nfs/dbraw/zinc/24/45/95/412244595.db2.gz JEFUGNBSWIVMGN-NXEZZACHSA-N 2 1 227.352 0.583 10 0 BCAEMP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299847 412248346 /nfs/dbraw/zinc/24/83/46/412248346.db2.gz UICXXRFQTXHVLX-ZJUUUORDSA-N 2 1 234.365 0.151 10 0 BCAEMP CCc1[nH+]ccn1[C@H]1COCC[C@H]1[NH2+]C ZINC000044036635 172029656 /nfs/dbraw/zinc/02/96/56/172029656.db2.gz LCCYDTLZUMRTNY-ZJUUUORDSA-N 2 1 209.293 0.995 10 0 BCAEMP CN(C)C(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564819 172360612 /nfs/dbraw/zinc/36/06/12/172360612.db2.gz GXMUNGJCISDJSB-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CN(C)C(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564819 172360614 /nfs/dbraw/zinc/36/06/14/172360614.db2.gz GXMUNGJCISDJSB-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CN(C)C(=O)[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036128547 172386262 /nfs/dbraw/zinc/38/62/62/172386262.db2.gz TWRSXMVMRCWHMT-IJLUTSLNSA-N 2 1 239.363 0.666 10 0 BCAEMP CN1CCC[N@H+](C2CCC([NH3+])CC2)CC1 ZINC000055144275 173013965 /nfs/dbraw/zinc/01/39/65/173013965.db2.gz VMSQYGRWJNARTD-UHFFFAOYSA-N 2 1 211.353 0.894 10 0 BCAEMP C[N@H+]1CCCN(Cc2ccoc2C[NH3+])CC1 ZINC000052424225 173017201 /nfs/dbraw/zinc/01/72/01/173017201.db2.gz NLPDAOAJCTWGPT-UHFFFAOYSA-N 2 1 223.320 0.876 10 0 BCAEMP C[N@H+]1CCCN(Cc2cc(C[NH3+])no2)CC1 ZINC000052424274 173018128 /nfs/dbraw/zinc/01/81/28/173018128.db2.gz WTPCYECAHZQAQO-UHFFFAOYSA-N 2 1 224.308 0.271 10 0 BCAEMP C[N@H+]1CCCN(C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000034679422 173018335 /nfs/dbraw/zinc/01/83/35/173018335.db2.gz YGWIFMXGPCNIKL-NSHDSACASA-N 2 1 213.369 0.997 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226394107 173030107 /nfs/dbraw/zinc/03/01/07/173030107.db2.gz LMXPUBXYQKQWEK-GMTAPVOTSA-N 2 1 225.336 0.324 10 0 BCAEMP CN(C(=O)C(C)(C)[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000053245622 173044009 /nfs/dbraw/zinc/04/40/09/173044009.db2.gz SVPNXQRXJZQZDE-VIFPVBQESA-N 2 1 213.325 0.276 10 0 BCAEMP CN(C(=O)C(C)(C)C[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000053245188 173044771 /nfs/dbraw/zinc/04/47/71/173044771.db2.gz JJBRRSFUZRAJAF-JTQLQIEISA-N 2 1 227.352 0.524 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000020597462 173066954 /nfs/dbraw/zinc/06/69/54/173066954.db2.gz IFRZKKVVPJHYGX-LLVKDONJSA-N 2 1 225.336 0.293 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085917 173069866 /nfs/dbraw/zinc/06/98/66/173069866.db2.gz LTIWWGADTVOTEV-MNOVXSKESA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@@H+]1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC000037485083 173114321 /nfs/dbraw/zinc/11/43/21/173114321.db2.gz GUQGLRIPNVYVCP-NSHDSACASA-N 2 1 225.336 0.150 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC000037485083 173114323 /nfs/dbraw/zinc/11/43/23/173114323.db2.gz GUQGLRIPNVYVCP-NSHDSACASA-N 2 1 225.336 0.150 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291465 173121532 /nfs/dbraw/zinc/12/15/32/173121532.db2.gz OPBBGAPCTKVEMG-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000042549079 173122298 /nfs/dbraw/zinc/12/22/98/173122298.db2.gz QGHIIJVOTFPRAH-VQXHTEKXSA-N 2 1 225.336 0.324 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C(C)(C)C)C1 ZINC000077499019 173122449 /nfs/dbraw/zinc/12/24/49/173122449.db2.gz OHIZPTKHCAFDLP-BDAKNGLRSA-N 2 1 213.325 0.180 10 0 BCAEMP CN(CC1CCC1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990804 173134863 /nfs/dbraw/zinc/13/48/63/173134863.db2.gz KYUSEKYQJRQVAR-LBPRGKRZSA-N 2 1 211.353 0.751 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000044542064 173140825 /nfs/dbraw/zinc/14/08/25/173140825.db2.gz RXOVRVVJHCBRCL-WDEREUQCSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000044491478 173141217 /nfs/dbraw/zinc/14/12/17/173141217.db2.gz CHPVDPLGVYPYHS-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cccnc1 ZINC000071188106 173144031 /nfs/dbraw/zinc/14/40/31/173144031.db2.gz QJDWHBYCBDWLPQ-JSGCOSHPSA-N 2 1 248.374 0.965 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000250612015 173144893 /nfs/dbraw/zinc/14/48/93/173144893.db2.gz MWUQYQUTDPHSBF-OUAUKWLOSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000250647438 173145512 /nfs/dbraw/zinc/14/55/12/173145512.db2.gz VTSAXJRITXTPEV-VWYCJHECSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@@H+]1CCc2nc([C@@H](O)C[NH3+])sc2C1 ZINC000076166559 173173572 /nfs/dbraw/zinc/17/35/72/173173572.db2.gz XXXKSWCJEQXQDD-ZETCQYMHSA-N 2 1 213.306 0.123 10 0 BCAEMP C[N@H+]1CCc2nc([C@@H](O)C[NH3+])sc2C1 ZINC000076166559 173173574 /nfs/dbraw/zinc/17/35/74/173173574.db2.gz XXXKSWCJEQXQDD-ZETCQYMHSA-N 2 1 213.306 0.123 10 0 BCAEMP CNC(=O)CC[N@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000104409023 173252755 /nfs/dbraw/zinc/25/27/55/173252755.db2.gz UABWATZLACYCBF-NSHDSACASA-N 2 1 239.363 0.587 10 0 BCAEMP CNC(=O)[C@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042408627 173306297 /nfs/dbraw/zinc/30/62/97/173306297.db2.gz KZAMXOUOYPUNGV-IJLUTSLNSA-N 2 1 239.363 0.714 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000042391591 173307409 /nfs/dbraw/zinc/30/74/09/173307409.db2.gz IZYIVWSOSWKBPR-CYBMUJFWSA-N 2 1 247.342 0.856 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061319039 173318449 /nfs/dbraw/zinc/31/84/49/173318449.db2.gz HJLAOIXTWLCNPQ-SECBINFHSA-N 2 1 225.336 0.337 10 0 BCAEMP C[NH2+]C1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040715849 173323802 /nfs/dbraw/zinc/32/38/02/173323802.db2.gz ZAHDAYSVVLTLDP-LBPRGKRZSA-N 2 1 211.353 0.764 10 0 BCAEMP C[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000061712128 173337785 /nfs/dbraw/zinc/33/77/85/173337785.db2.gz NMKQBYACIQMVCO-NSHDSACASA-N 2 1 228.336 0.069 10 0 BCAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCC1 ZINC000061711774 173337826 /nfs/dbraw/zinc/33/78/26/173337826.db2.gz NVMNYWLJWJNQAJ-LLVKDONJSA-N 2 1 212.337 0.833 10 0 BCAEMP C[NH2+]CC[C@@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973844 173357972 /nfs/dbraw/zinc/35/79/72/173357972.db2.gz PCUUXDXRUKVGSR-OLZOCXBDSA-N 2 1 241.379 0.391 10 0 BCAEMP C[NH2+]CC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000077388877 173358310 /nfs/dbraw/zinc/35/83/10/173358310.db2.gz OWKWGDZYDCDCDI-CYBMUJFWSA-N 2 1 241.379 0.250 10 0 BCAEMP C[NH2+]C[C@@]1(CN2CC[N@@H+](C)[C@@H](C)C2)CCOC1 ZINC000104124783 173372935 /nfs/dbraw/zinc/37/29/35/173372935.db2.gz ALQGQSSTCJMWAV-QWHCGFSZSA-N 2 1 241.379 0.248 10 0 BCAEMP C[NH2+]C[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000019863970 173376227 /nfs/dbraw/zinc/37/62/27/173376227.db2.gz DDDGBYUIYJBQMJ-NSHDSACASA-N 2 1 200.326 0.831 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCCOCC2)O1 ZINC000061935853 173382669 /nfs/dbraw/zinc/38/26/69/173382669.db2.gz BJTCLERBXIGFGL-VXGBXAGGSA-N 2 1 228.336 0.476 10 0 BCAEMP C[NH2+]Cc1nc(CN2CC[NH+](C)CC2)cs1 ZINC000052379166 173395967 /nfs/dbraw/zinc/39/59/67/173395967.db2.gz AIPUYVIVNBCMIW-UHFFFAOYSA-N 2 1 240.376 0.610 10 0 BCAEMP COCCC[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000037753588 174230818 /nfs/dbraw/zinc/23/08/18/174230818.db2.gz RYDKTVUIUYAAMF-UHFFFAOYSA-N 2 1 243.395 0.770 10 0 BCAEMP COCCC[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000071508482 174231701 /nfs/dbraw/zinc/23/17/01/174231701.db2.gz SGLFNDFAOYZXPH-JTQLQIEISA-N 2 1 202.298 0.073 10 0 BCAEMP COCCC[N@H+]1C[C@@H](C)O[C@@H](CC[NH3+])C1 ZINC000071519815 174234628 /nfs/dbraw/zinc/23/46/28/174234628.db2.gz UHUDQYWGILOVCK-MNOVXSKESA-N 2 1 216.325 0.461 10 0 BCAEMP COCCCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CC[NH3+] ZINC000063086840 174243502 /nfs/dbraw/zinc/24/35/02/174243502.db2.gz DMWBSTGGMHQVKZ-MNOVXSKESA-N 2 1 245.367 0.197 10 0 BCAEMP COCCCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CC[NH3+] ZINC000063086840 174243504 /nfs/dbraw/zinc/24/35/04/174243504.db2.gz DMWBSTGGMHQVKZ-MNOVXSKESA-N 2 1 245.367 0.197 10 0 BCAEMP COCC[N@@H+](CCC[NH3+])CCc1cccnc1 ZINC000071224361 174291331 /nfs/dbraw/zinc/29/13/31/174291331.db2.gz QWPKKIGCFJNQNW-UHFFFAOYSA-N 2 1 237.347 0.921 10 0 BCAEMP COCC[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000062568755 174306946 /nfs/dbraw/zinc/30/69/46/174306946.db2.gz KHRWRWGDBKROCM-LLVKDONJSA-N 2 1 200.326 0.953 10 0 BCAEMP C[C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 ZINC000049662097 176172393 /nfs/dbraw/zinc/17/23/93/176172393.db2.gz AZKHYCINORBZFQ-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])[C@@H]2CCCOC2)CCCO1 ZINC000104314368 176314774 /nfs/dbraw/zinc/31/47/74/176314774.db2.gz ZEWDYOOIDCJCOL-UPJWGTAASA-N 2 1 242.363 0.851 10 0 BCAEMP C[C@@H]1C[N@H+]([C@@H](C[NH3+])[C@@H]2CCCOC2)CCCO1 ZINC000104314368 176314775 /nfs/dbraw/zinc/31/47/75/176314775.db2.gz ZEWDYOOIDCJCOL-UPJWGTAASA-N 2 1 242.363 0.851 10 0 BCAEMP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCOCC2)CCCO1 ZINC000061915919 176315287 /nfs/dbraw/zinc/31/52/87/176315287.db2.gz GQWWLRAPNPBKAN-YPMHNXCESA-N 2 1 242.363 0.851 10 0 BCAEMP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCOCC2)CCCO1 ZINC000061915919 176315289 /nfs/dbraw/zinc/31/52/89/176315289.db2.gz GQWWLRAPNPBKAN-YPMHNXCESA-N 2 1 242.363 0.851 10 0 BCAEMP C[C@H]1CCCC[N@H+]1C[C@H](O)CN1CC[NH2+]CC1 ZINC000045919664 177077573 /nfs/dbraw/zinc/07/75/73/177077573.db2.gz QSYBGLQURWYDQK-QWHCGFSZSA-N 2 1 241.379 0.127 10 0 BCAEMP C[C@H]1CCC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052375951 177108923 /nfs/dbraw/zinc/10/89/23/177108923.db2.gz OYQXAJUHGJGQJE-VIFPVBQESA-N 2 1 209.297 0.221 10 0 BCAEMP C[C@H]1CC[N@@H+](CCN2CCC[NH2+]CC2)C1 ZINC000061275189 177160205 /nfs/dbraw/zinc/16/02/05/177160205.db2.gz QKJAOMHZGNQCIQ-LBPRGKRZSA-N 2 1 211.353 0.624 10 0 BCAEMP C[C@H]1CC[N@@H+](C[C@@H]2COCCO2)CCC[NH2+]1 ZINC000044390367 177162191 /nfs/dbraw/zinc/16/21/91/177162191.db2.gz QFRXDYUHWFBOFI-NWDGAFQWSA-N 2 1 228.336 0.476 10 0 BCAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000042427417 177189333 /nfs/dbraw/zinc/18/93/33/177189333.db2.gz DMGYJROMOLJUHY-STQMWFEESA-N 2 1 241.379 0.378 10 0 BCAEMP C[C@H]1CC[C@H](C(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000019505394 177196877 /nfs/dbraw/zinc/19/68/77/177196877.db2.gz NVOARLXWJDARDJ-QWRGUYRKSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@H]1C[N@H+](Cc2cc(C[NH3+])no2)CCCO1 ZINC000061935618 177260921 /nfs/dbraw/zinc/26/09/21/177260921.db2.gz WDCRXSXKLVRDLY-VIFPVBQESA-N 2 1 225.292 0.744 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2cc(C[NH3+])no2)CCCO1 ZINC000061935618 177260922 /nfs/dbraw/zinc/26/09/22/177260922.db2.gz WDCRXSXKLVRDLY-VIFPVBQESA-N 2 1 225.292 0.744 10 0 BCAEMP C[C@H](NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400435471 226343313 /nfs/dbraw/zinc/34/33/13/226343313.db2.gz LAXBCZKIEAMENT-TUAOUCFPSA-N 2 1 227.352 0.047 10 0 BCAEMP C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400435471 226343314 /nfs/dbraw/zinc/34/33/14/226343314.db2.gz LAXBCZKIEAMENT-TUAOUCFPSA-N 2 1 227.352 0.047 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000228493779 487663340 /nfs/dbraw/zinc/66/33/40/487663340.db2.gz IZFRHBSXYVZLKM-SDDRHHMPSA-N 2 1 241.379 0.959 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593858 487663976 /nfs/dbraw/zinc/66/39/76/487663976.db2.gz QJRIWXTZCYNMNQ-MNOVXSKESA-N 2 1 241.379 0.831 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000383773382 487672315 /nfs/dbraw/zinc/67/23/15/487672315.db2.gz NQZWFSFAINRBRW-AVGNSLFASA-N 2 1 243.395 0.181 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C)C1 ZINC000054076048 487683804 /nfs/dbraw/zinc/68/38/04/487683804.db2.gz DZOXLFOCIKEUGP-NXEZZACHSA-N 2 1 213.325 0.195 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000088033360 487699350 /nfs/dbraw/zinc/69/93/50/487699350.db2.gz DMQAXSAXUNVKPW-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H](CO)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000120967936 490072342 /nfs/dbraw/zinc/07/23/42/490072342.db2.gz USNPBYCYCPTMMN-GHMZBOCLSA-N 2 1 200.326 0.498 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250610497 487735244 /nfs/dbraw/zinc/73/52/44/487735244.db2.gz MMGHLOMIDDJUKY-NEPJUHHUSA-N 2 1 239.363 0.587 10 0 BCAEMP CCN(CC[NH3+])c1cc[nH+]c(N(C)C)n1 ZINC000082924642 487755006 /nfs/dbraw/zinc/75/50/06/487755006.db2.gz MCABDYXAIYQCJC-UHFFFAOYSA-N 2 1 209.297 0.328 10 0 BCAEMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089450108 487816752 /nfs/dbraw/zinc/81/67/52/487816752.db2.gz HDZZZUXWNDFHAO-NEPJUHHUSA-N 2 1 239.363 0.526 10 0 BCAEMP CC(C)[N@H+]1C[C@H](NC(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000155420836 326195395 /nfs/dbraw/zinc/19/53/95/326195395.db2.gz FSTISTNFMUFNCW-QWRGUYRKSA-N 2 1 227.352 0.393 10 0 BCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)C[NH+](C)C)[C@@H](C)C1 ZINC000155420836 326195396 /nfs/dbraw/zinc/19/53/96/326195396.db2.gz FSTISTNFMUFNCW-QWRGUYRKSA-N 2 1 227.352 0.393 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000084308546 488042455 /nfs/dbraw/zinc/04/24/55/488042455.db2.gz JOABIALIKKYGQS-MNOVXSKESA-N 2 1 225.336 0.135 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000389248794 488083735 /nfs/dbraw/zinc/08/37/35/488083735.db2.gz BDBSZMXMHAQVMD-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])[C@H](C)CC)C1 ZINC000389568951 488102509 /nfs/dbraw/zinc/10/25/09/488102509.db2.gz AGSMDHWRIWUOCL-GRYCIOLGSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000389662447 488104443 /nfs/dbraw/zinc/10/44/43/488104443.db2.gz SDKKBSRBSCPWJT-DGCLKSJQSA-N 2 1 239.363 0.729 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000389664981 488105840 /nfs/dbraw/zinc/10/58/40/488105840.db2.gz SVTUSMVGTSHXGT-RYUDHWBXSA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000094647401 487547939 /nfs/dbraw/zinc/54/79/39/487547939.db2.gz HCSXGRKUJOKGLN-TUAOUCFPSA-N 2 1 239.363 0.585 10 0 BCAEMP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309131197 491145402 /nfs/dbraw/zinc/14/54/02/491145402.db2.gz RAKKRBWORDSUIM-QWRGUYRKSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@H](CC(C)(C)C[NH3+])[N@H+]1CC[C@@H]1C(N)=O ZINC000757143745 582524181 /nfs/dbraw/zinc/52/41/81/582524181.db2.gz HOOJWKBQVVOYAM-RKDXNWHRSA-N 2 1 213.325 0.310 10 0 BCAEMP CC1(C)C[NH2+]C2(CC[NH2+]CC2)O[C@@]12CCOC2 ZINC000757150406 582534907 /nfs/dbraw/zinc/53/49/07/582534907.db2.gz XZFYQYCXSRURDA-GFCCVEGCSA-N 2 1 240.347 0.871 10 0 BCAEMP C[NH2+][C@@H](C)CNc1cc[nH+]c(N(C)C)n1 ZINC000261538711 536344840 /nfs/dbraw/zinc/34/48/40/536344840.db2.gz ZAJUEAMAMNVDTE-QMMMGPOBSA-N 2 1 209.297 0.562 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]([NH2+]C(C)C)C(N)=O ZINC000045432864 582878772 /nfs/dbraw/zinc/87/87/72/582878772.db2.gz KKRAXUJBTKBTFJ-SECBINFHSA-N 2 1 210.281 0.043 10 0 BCAEMP CCC[NH2+][C@@H](Cn1cc[nH+]c1C)C(N)=O ZINC000045432845 582879139 /nfs/dbraw/zinc/87/91/39/582879139.db2.gz PSYKRODWGHMPOW-VIFPVBQESA-N 2 1 210.281 0.045 10 0 BCAEMP C[NH+]1CCN(c2ncc3c(n2)CC[C@H]([NH3+])C3)CC1 ZINC000020286123 536426824 /nfs/dbraw/zinc/42/68/24/536426824.db2.gz QYAUUAPOMDVJGU-NSHDSACASA-N 2 1 247.346 0.044 10 0 BCAEMP CC[NH2+]Cc1cc(C)nc(N2CC[NH+](C)CC2)n1 ZINC000054831257 535478877 /nfs/dbraw/zinc/47/88/77/535478877.db2.gz FNEUUWCCQISQFL-UHFFFAOYSA-N 2 1 249.362 0.646 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000088050739 535573114 /nfs/dbraw/zinc/57/31/14/535573114.db2.gz NQZNZRZAKVTTSE-JTQLQIEISA-N 2 1 225.336 0.468 10 0 BCAEMP CC(C)[N@H+]1CC[C@H](O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725245639 538003655 /nfs/dbraw/zinc/00/36/55/538003655.db2.gz LISZAAGPKOQAGA-GRYCIOLGSA-N 2 1 212.337 0.687 10 0 BCAEMP NC(=O)[C@H]1CC[N@H+]1CCC[C@H]1CCC[NH2+]1 ZINC000757140878 582521534 /nfs/dbraw/zinc/52/15/34/582521534.db2.gz BPUXWACFOACMQK-NXEZZACHSA-N 2 1 211.309 0.078 10 0 BCAEMP CC(C)(C)[C@H](C[NH3+])C[N@@H+]1CC[C@H]1C(N)=O ZINC000757148864 582532820 /nfs/dbraw/zinc/53/28/20/582532820.db2.gz UIDXSDUACRAFJO-BDAKNGLRSA-N 2 1 213.325 0.167 10 0 BCAEMP CC(C)(C)[C@H](C[NH3+])C[N@H+]1CC[C@H]1C(N)=O ZINC000757148864 582532823 /nfs/dbraw/zinc/53/28/23/582532823.db2.gz UIDXSDUACRAFJO-BDAKNGLRSA-N 2 1 213.325 0.167 10 0 BCAEMP CC1([NH3+])CCC([N@H+]2CC[C@@H]2C(N)=O)CC1 ZINC000757155969 582539545 /nfs/dbraw/zinc/53/95/45/582539545.db2.gz JNCNUAIHLDUNPM-INWMGODYSA-N 2 1 211.309 0.206 10 0 BCAEMP C[NH2+]C1CCC([N@H+]2CC[C@H]2C(N)=O)CC1 ZINC000757157476 582540704 /nfs/dbraw/zinc/54/07/04/582540704.db2.gz NORBJOVNFGLXJZ-RTBKNWGFSA-N 2 1 211.309 0.077 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000393813072 583113252 /nfs/dbraw/zinc/11/32/52/583113252.db2.gz ZEBVEZDANGOFDA-JQWIXIFHSA-N 2 1 228.336 0.210 10 0 BCAEMP COC[C@H](C[N@@H+]1CC[C@@H]1C[NH3+])C(C)C ZINC000757157441 586430345 /nfs/dbraw/zinc/43/03/45/586430345.db2.gz NDJOQNFGYZIDDA-WDEREUQCSA-N 2 1 200.326 0.938 10 0 BCAEMP COC[C@H](C[N@H+]1CC[C@@H]1C[NH3+])C(C)C ZINC000757157441 586430347 /nfs/dbraw/zinc/43/03/47/586430347.db2.gz NDJOQNFGYZIDDA-WDEREUQCSA-N 2 1 200.326 0.938 10 0 BCAEMP CCOC(=O)[C@@H]1C[NH2+]C[C@]12CC[N@@H+](C)C2 ZINC000757186063 586434537 /nfs/dbraw/zinc/43/45/37/586434537.db2.gz VMXWYPMGLCLVLY-ONGXEEELSA-N 2 1 212.293 0.091 10 0 BCAEMP CCOC(=O)[C@@H]1C[NH2+]C[C@]12CC[N@H+](C)C2 ZINC000757186063 586434535 /nfs/dbraw/zinc/43/45/35/586434535.db2.gz VMXWYPMGLCLVLY-ONGXEEELSA-N 2 1 212.293 0.091 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2cnnn2C)[NH2+]1 ZINC000757209956 586438507 /nfs/dbraw/zinc/43/85/07/586438507.db2.gz GREBRAXKBAXTBP-YSSBGUOXSA-N 2 1 223.324 0.449 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H]([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757210496 586438533 /nfs/dbraw/zinc/43/85/33/586438533.db2.gz FYVKLLCNOXJODN-FPYNETTCSA-N 3 1 225.380 0.947 10 0 BCAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cnnn2C)[NH2+]1 ZINC000757213182 586439648 /nfs/dbraw/zinc/43/96/48/586439648.db2.gz OVFJMWCJJYVWJZ-WEDXCCLWSA-N 2 1 209.297 0.203 10 0 BCAEMP [NH3+]Cc1cccc([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)c1 ZINC000757216560 586441256 /nfs/dbraw/zinc/44/12/56/586441256.db2.gz QIWHLGVSYIQPOW-CHWSQXEVSA-N 3 1 219.332 0.940 10 0 BCAEMP C[N@H+]1CCC[C@@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757225234 586442714 /nfs/dbraw/zinc/44/27/14/586442714.db2.gz RJJDORPPWVQFDJ-KOLCDFICSA-N 2 1 212.293 0.363 10 0 BCAEMP C[C@@H]1C[C@H]([C@H]2CC[NH2+][C@H](C[NH3+])C2)CC[NH2+]1 ZINC000757234550 586443155 /nfs/dbraw/zinc/44/31/55/586443155.db2.gz KOJUSOPQKKSVLO-WYUUTHIRSA-N 3 1 211.353 0.701 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2C[C@H](C)[C@H](N)C[NH2+]2)CC[NH2+]1 ZINC000757238619 586444185 /nfs/dbraw/zinc/44/41/85/586444185.db2.gz SXVNDXWZXZVZRZ-KQSJRHEJSA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000235334255 632673826 /nfs/dbraw/zinc/67/38/26/632673826.db2.gz QAUOMXKOCLTFLF-KKOKHZNYSA-N 2 1 212.337 0.951 10 0 BCAEMP CN(C)c1nc(N(C)CC(C)(C)C[NH3+])cc[nH+]1 ZINC000093874575 635132004 /nfs/dbraw/zinc/13/20/04/635132004.db2.gz NEESGCXWVAIYQI-UHFFFAOYSA-N 2 1 237.351 0.964 10 0 BCAEMP Cc1ccncc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399055031 635207880 /nfs/dbraw/zinc/20/78/80/635207880.db2.gz ZIJVHHSKSABMRH-UHFFFAOYSA-N 2 1 249.358 0.936 10 0 BCAEMP [NH3+]C1CC(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000259104241 635242837 /nfs/dbraw/zinc/24/28/37/635242837.db2.gz FTWOWQKZICZVIG-ILDUYXDCSA-N 2 1 223.320 0.030 10 0 BCAEMP Cc1nccc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321347147 636635864 /nfs/dbraw/zinc/63/58/64/636635864.db2.gz LPEFYBDVPHTTBB-UHFFFAOYSA-N 2 1 235.335 0.620 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157209411 640638333 /nfs/dbraw/zinc/63/83/33/640638333.db2.gz LTJCCLCXRPBKSN-NWDGAFQWSA-N 2 1 239.363 0.587 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000226126973 640732990 /nfs/dbraw/zinc/73/29/90/640732990.db2.gz CKVSPNKZYMMXIP-NWDGAFQWSA-N 2 1 230.352 0.443 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000227748186 640847036 /nfs/dbraw/zinc/84/70/36/640847036.db2.gz FALRKIJDNOSUSH-JTQLQIEISA-N 2 1 204.314 0.053 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227911600 640853614 /nfs/dbraw/zinc/85/36/14/640853614.db2.gz XTUMVRPZDPJKCN-JHJVBQTASA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC000227911546 640853676 /nfs/dbraw/zinc/85/36/76/640853676.db2.gz XAELTYVEGMJYRJ-LLVKDONJSA-N 2 1 218.341 0.445 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149638 642421926 /nfs/dbraw/zinc/42/19/26/642421926.db2.gz WZTAZBCETYBBNF-OLZOCXBDSA-N 2 1 244.379 0.976 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000306111873 642722393 /nfs/dbraw/zinc/72/23/93/642722393.db2.gz WNKNCTZDNNXZCL-VXGBXAGGSA-N 2 1 239.363 0.714 10 0 BCAEMP Cc1[nH+]ccn1CCCN1CC[C@@H]1C[NH3+] ZINC000757152249 643342715 /nfs/dbraw/zinc/34/27/15/643342715.db2.gz ZTMRBNAZEOGOEN-LLVKDONJSA-N 2 1 208.309 0.615 10 0 BCAEMP C[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1C)C(N)=O ZINC000082800225 643382410 /nfs/dbraw/zinc/38/24/10/643382410.db2.gz YCTJIUDWRCLFBC-GZMMTYOYSA-N 2 1 224.308 0.606 10 0 BCAEMP CCC(CC)(CO)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000230209478 643766751 /nfs/dbraw/zinc/76/67/51/643766751.db2.gz UDWQSZZITNLAHI-SNVBAGLBSA-N 2 1 200.326 0.737 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638516 644158917 /nfs/dbraw/zinc/15/89/17/644158917.db2.gz ONICGYBVYDLWOJ-LLVKDONJSA-N 2 1 232.368 0.689 10 0 BCAEMP COC(=O)[C@@]1([NH3+])CC[C@H](n2cc[nH+]c2C)C1 ZINC000086626662 644156502 /nfs/dbraw/zinc/15/65/02/644156502.db2.gz PBNNCXJXHZMBSN-GXSJLCMTSA-N 2 1 223.276 0.787 10 0 BCAEMP COC(=O)[C@]1([NH3+])CC[C@@H](n2cc[nH+]c2C)C1 ZINC000086626664 644156747 /nfs/dbraw/zinc/15/67/47/644156747.db2.gz PBNNCXJXHZMBSN-KOLCDFICSA-N 2 1 223.276 0.787 10 0 BCAEMP C[NH2+][C@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2C)C1 ZINC000086626645 644156816 /nfs/dbraw/zinc/15/68/16/644156816.db2.gz ORSUYEPSJKXSIW-MWLCHTKSSA-N 2 1 222.292 0.360 10 0 BCAEMP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000086725091 644468858 /nfs/dbraw/zinc/46/88/58/644468858.db2.gz VJDYEUTXNJSGBE-MNOVXSKESA-N 2 1 223.320 0.834 10 0 BCAEMP Oc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000086729173 644471947 /nfs/dbraw/zinc/47/19/47/644471947.db2.gz PNSSKDFFLNVQCF-LLVKDONJSA-N 2 1 206.289 0.886 10 0 BCAEMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000089744719 644563863 /nfs/dbraw/zinc/56/38/63/644563863.db2.gz DDRSYEMVGYEYBQ-NWDGAFQWSA-N 2 1 237.347 0.293 10 0 BCAEMP CC[NH2+]CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094446956 644719430 /nfs/dbraw/zinc/71/94/30/644719430.db2.gz RHHUJUOGCGZBED-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250593910 644769730 /nfs/dbraw/zinc/76/97/30/644769730.db2.gz WZTAZBCETYBBNF-STQMWFEESA-N 2 1 244.379 0.976 10 0 BCAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCn3ccnc3C2)C1 ZINC000227799123 711832954 /nfs/dbraw/zinc/83/29/54/711832954.db2.gz QTZUDIMZOHOIRN-WDEREUQCSA-N 2 1 220.320 0.826 10 0 BCAEMP C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000378817682 712362667 /nfs/dbraw/zinc/36/26/67/712362667.db2.gz CQSYVBHRZNQMLV-STQMWFEESA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CC[N@@H+]1C ZINC000716762724 712572860 /nfs/dbraw/zinc/57/28/60/712572860.db2.gz ZLSMRIMDKKTLFK-BZCXBAJXSA-N 2 1 225.336 0.323 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CC[N@H+]1C ZINC000716762724 712572861 /nfs/dbraw/zinc/57/28/61/712572861.db2.gz ZLSMRIMDKKTLFK-BZCXBAJXSA-N 2 1 225.336 0.323 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@H]3CCOC3)C[C@H]12 ZINC000724919772 711628202 /nfs/dbraw/zinc/62/82/02/711628202.db2.gz AGYOJVPDEKJSGF-MROQNXINSA-N 2 1 240.347 0.461 10 0 BCAEMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000702552603 712055014 /nfs/dbraw/zinc/05/50/14/712055014.db2.gz VOPHREXCXMWHMS-CQSZACIVSA-N 2 1 234.343 0.885 10 0 BCAEMP C[N@H+]1CC[C@@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000702552603 712055016 /nfs/dbraw/zinc/05/50/16/712055016.db2.gz VOPHREXCXMWHMS-CQSZACIVSA-N 2 1 234.343 0.885 10 0 BCAEMP C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000708860917 712201248 /nfs/dbraw/zinc/20/12/48/712201248.db2.gz FOURIQISWRADBZ-GJMOJQLCSA-N 2 1 226.242 0.436 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1C[NH3+] ZINC000708860917 712201249 /nfs/dbraw/zinc/20/12/49/712201249.db2.gz FOURIQISWRADBZ-GJMOJQLCSA-N 2 1 226.242 0.436 10 0 BCAEMP C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000716686451 712569988 /nfs/dbraw/zinc/56/99/88/712569988.db2.gz YLSQZOOGABVXDW-SFXRXQKFSA-N 2 1 225.336 0.371 10 0 BCAEMP CC[N@@H+](C)CCCOCC(F)(F)C[NH3+] ZINC000685956180 538902108 /nfs/dbraw/zinc/90/21/08/538902108.db2.gz NDZKTWZKXZJPEE-UHFFFAOYSA-N 2 1 210.268 0.939 10 0 BCAEMP C[N@H+]1CCC[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000386661373 398214005 /nfs/dbraw/zinc/21/40/05/398214005.db2.gz SRVBXBCBSHDOAI-TUAOUCFPSA-N 2 1 209.337 0.232 10 0 BCAEMP CCC(CC)[N@@H+](C)[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000036789148 168369566 /nfs/dbraw/zinc/36/95/66/168369566.db2.gz WZTLTWXIWGDEGJ-LLVKDONJSA-N 2 1 241.379 0.927 10 0 BCAEMP Cc1cnn(CC[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631838663 398285772 /nfs/dbraw/zinc/28/57/72/398285772.db2.gz SKXJRDRUHUSHPI-RYUDHWBXSA-N 2 1 222.336 0.718 10 0 BCAEMP Nc1cc[nH+]cc1C(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000226561034 342829109 /nfs/dbraw/zinc/82/91/09/342829109.db2.gz KFZXFKJXJQWVMM-SFYZADRCSA-N 2 1 203.245 0.750 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381201010 538996314 /nfs/dbraw/zinc/99/63/14/538996314.db2.gz FINXDGAQCBUJQM-GARJFASQSA-N 2 1 221.304 0.965 10 0 BCAEMP CN(CCC[NH+](C)C)CC(F)(F)C[NH3+] ZINC000389310992 539015956 /nfs/dbraw/zinc/01/59/56/539015956.db2.gz OWHHXISGEANMGH-UHFFFAOYSA-N 2 1 209.284 0.464 10 0 BCAEMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000082484611 259323284 /nfs/dbraw/zinc/32/32/84/259323284.db2.gz KEYAYXXXNNZSDU-VHSXEESVSA-N 2 1 213.325 0.132 10 0 BCAEMP CC(C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000082484611 259323286 /nfs/dbraw/zinc/32/32/86/259323286.db2.gz KEYAYXXXNNZSDU-VHSXEESVSA-N 2 1 213.325 0.132 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000167205268 136244952 /nfs/dbraw/zinc/24/49/52/136244952.db2.gz OBRQFLCSTXCIER-NSHDSACASA-N 2 1 227.352 0.714 10 0 BCAEMP O=C(C[C@@H]1CC[NH2+]C1)NCC[N@@H+]1CC=CCC1 ZINC000392811692 398335543 /nfs/dbraw/zinc/33/55/43/398335543.db2.gz BZJDXFNBFBJGMN-LBPRGKRZSA-N 2 1 237.347 0.364 10 0 BCAEMP C[C@H]([NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392856543 398335696 /nfs/dbraw/zinc/33/56/96/398335696.db2.gz IAEUKRMTOJNTLP-JTQLQIEISA-N 2 1 211.309 0.102 10 0 BCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CC1 ZINC000094447134 343156233 /nfs/dbraw/zinc/15/62/33/343156233.db2.gz URRDCOOUUWGDML-GHMZBOCLSA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CC1 ZINC000094447134 343156234 /nfs/dbraw/zinc/15/62/34/343156234.db2.gz URRDCOOUUWGDML-GHMZBOCLSA-N 2 1 237.347 0.563 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000094446958 343156283 /nfs/dbraw/zinc/15/62/83/343156283.db2.gz QFVFJEUSZMZVSU-IJLUTSLNSA-N 2 1 239.363 0.680 10 0 BCAEMP Nc1cc[nH+]c(NCCC[NH+]2CCOCC2)c1 ZINC000043568836 343172877 /nfs/dbraw/zinc/17/28/77/343172877.db2.gz LCGCKSPVSXZFDG-UHFFFAOYSA-N 2 1 236.319 0.798 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000134156677 343188549 /nfs/dbraw/zinc/18/85/49/343188549.db2.gz DODSWLVIWUIUJY-IUCAKERBSA-N 2 1 200.282 0.361 10 0 BCAEMP C[C@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000634688257 343246592 /nfs/dbraw/zinc/24/65/92/343246592.db2.gz NGNWUBDIBMRLQA-QWRGUYRKSA-N 2 1 222.336 0.489 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019411956 343249103 /nfs/dbraw/zinc/24/91/03/343249103.db2.gz YJDSAXBPWJLUNH-NSHDSACASA-N 2 1 225.336 0.150 10 0 BCAEMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C[NH3+])C1 ZINC000019255173 187251657 /nfs/dbraw/zinc/25/16/57/187251657.db2.gz UOJKJJNMPPCGRR-ZDUSSCGKSA-N 2 1 247.342 0.843 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH3+] ZINC000086188871 343613889 /nfs/dbraw/zinc/61/38/89/343613889.db2.gz PZGFLEBUPBKANG-NXEZZACHSA-N 2 1 213.325 0.276 10 0 BCAEMP CC(=O)N1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889836 187270835 /nfs/dbraw/zinc/27/08/35/187270835.db2.gz BPFNSIHNFBJUHX-GFCCVEGCSA-N 2 1 225.336 0.150 10 0 BCAEMP CC(=O)N1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889836 187270836 /nfs/dbraw/zinc/27/08/36/187270836.db2.gz BPFNSIHNFBJUHX-GFCCVEGCSA-N 2 1 225.336 0.150 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]C)C1 ZINC000043605767 344529471 /nfs/dbraw/zinc/52/94/71/344529471.db2.gz UVLQLZGYUQFSQC-SNVBAGLBSA-N 2 1 213.325 0.196 10 0 BCAEMP CC(C)[N@H+]1CC[C@@H](N2CCC[NH2+]CC2)C1 ZINC000045659826 187293668 /nfs/dbraw/zinc/29/36/68/187293668.db2.gz ZOKUQSCVTJIVTA-GFCCVEGCSA-N 2 1 211.353 0.764 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C)[N@H+]([C@@H](CN)CO)C1 ZINC000166641625 344948402 /nfs/dbraw/zinc/94/84/02/344948402.db2.gz TUSXKCJBANABEX-RCWTZXSCSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@@H](C[NH3+])CO)C1 ZINC000166641625 344948403 /nfs/dbraw/zinc/94/84/03/344948403.db2.gz TUSXKCJBANABEX-RCWTZXSCSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C)[N@H+]([C@@H](C[NH3+])CO)C1 ZINC000166641625 344948404 /nfs/dbraw/zinc/94/84/04/344948404.db2.gz TUSXKCJBANABEX-RCWTZXSCSA-N 2 1 200.326 0.672 10 0 BCAEMP C(N1CC[N@H+]2CCCC[C@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634992107 345179753 /nfs/dbraw/zinc/17/97/53/345179753.db2.gz DLCYSHHHAJDZTJ-MOKVOYLWSA-N 2 1 235.375 0.909 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246160164 345250864 /nfs/dbraw/zinc/25/08/64/345250864.db2.gz LTFJBELSHVTYHV-TUAOUCFPSA-N 2 1 239.363 0.714 10 0 BCAEMP CCn1nccc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999823 345201181 /nfs/dbraw/zinc/20/11/81/345201181.db2.gz ZXUUCMSGIDYDQO-QWRGUYRKSA-N 2 1 222.336 0.930 10 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1 211.353 0.622 10 0 BCAEMP CN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000054243555 187316958 /nfs/dbraw/zinc/31/69/58/187316958.db2.gz VKURHBUGMZKBGC-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000069733713 349956364 /nfs/dbraw/zinc/95/63/64/349956364.db2.gz BYKAPLJAIKVORI-LLVKDONJSA-N 2 1 227.352 0.716 10 0 BCAEMP C1[C@@H](N2CC[NH2+]CC2)C[N@H+]2CCCC[C@@H]12 ZINC000725241784 537980221 /nfs/dbraw/zinc/98/02/21/537980221.db2.gz PQORNCNWLQDALH-NWDGAFQWSA-N 2 1 209.337 0.518 10 0 BCAEMP [NH3+]C[C@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000166801042 346691094 /nfs/dbraw/zinc/69/10/94/346691094.db2.gz FIWSNKCKCVNTPG-UONOGXRCSA-N 2 1 248.326 0.963 10 0 BCAEMP CO[C@@H](C)C[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000299893032 347151314 /nfs/dbraw/zinc/15/13/14/347151314.db2.gz GXTQWJCHSMTNPB-QWRGUYRKSA-N 2 1 200.326 0.953 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325471 347207154 /nfs/dbraw/zinc/20/71/54/347207154.db2.gz CTXYITVUWVUQHN-DTWKUNHWSA-N 2 1 200.282 0.076 10 0 BCAEMP CC(C)(C)OC(=O)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000725244277 537995971 /nfs/dbraw/zinc/99/59/71/537995971.db2.gz HBOCPMLZSYEMTA-ZDUSSCGKSA-N 2 1 240.347 0.999 10 0 BCAEMP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000669382897 538005396 /nfs/dbraw/zinc/00/53/96/538005396.db2.gz NLBGKVRQSCACLP-NWDGAFQWSA-N 2 1 210.321 0.849 10 0 BCAEMP CCC[N@H+]1CC[C@H](O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725246467 538006867 /nfs/dbraw/zinc/00/68/67/538006867.db2.gz WZLTVXQFLSGDFW-SDDRHHMPSA-N 2 1 212.337 0.689 10 0 BCAEMP COC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151344308 192372707 /nfs/dbraw/zinc/37/27/07/192372707.db2.gz AMXHQCXTHYOGTC-VXGBXAGGSA-N 2 1 230.352 0.458 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000250243160 349168753 /nfs/dbraw/zinc/16/87/53/349168753.db2.gz MYKPOFHKNQWAPD-IJLUTSLNSA-N 2 1 239.363 0.809 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000070618881 350027184 /nfs/dbraw/zinc/02/71/84/350027184.db2.gz VZXHMSDIFUSFTC-ZYHUDNBSSA-N 2 1 225.336 0.196 10 0 BCAEMP Cc1nccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000044995080 180186064 /nfs/dbraw/zinc/18/60/64/180186064.db2.gz CGOPTFHIPPGTKL-JTQLQIEISA-N 2 1 206.293 0.566 10 0 BCAEMP Cc1nccc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000044995080 180186065 /nfs/dbraw/zinc/18/60/65/180186065.db2.gz CGOPTFHIPPGTKL-JTQLQIEISA-N 2 1 206.293 0.566 10 0 BCAEMP Cc1nccc([C@H]2[C@@H](C[NH3+])CC[N@H+]2C)n1 ZINC000082933172 180209230 /nfs/dbraw/zinc/20/92/30/180209230.db2.gz UYFRNYQCSGTKKZ-MWLCHTKSSA-N 2 1 206.293 0.737 10 0 BCAEMP Cc1nccc([C@H]2[C@@H](C[NH3+])CC[N@@H+]2C)n1 ZINC000082933172 180209232 /nfs/dbraw/zinc/20/92/32/180209232.db2.gz UYFRNYQCSGTKKZ-MWLCHTKSSA-N 2 1 206.293 0.737 10 0 BCAEMP Cc1nccc([C@@H]2[C@@H](C[NH3+])CC[N@H+]2C)n1 ZINC000082933171 180209248 /nfs/dbraw/zinc/20/92/48/180209248.db2.gz UYFRNYQCSGTKKZ-KOLCDFICSA-N 2 1 206.293 0.737 10 0 BCAEMP Cc1nccc([C@@H]2[C@@H](C[NH3+])CC[N@@H+]2C)n1 ZINC000082933171 180209249 /nfs/dbraw/zinc/20/92/49/180209249.db2.gz UYFRNYQCSGTKKZ-KOLCDFICSA-N 2 1 206.293 0.737 10 0 BCAEMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@H](CCO)C1 ZINC000309269457 350247542 /nfs/dbraw/zinc/24/75/42/350247542.db2.gz QULVOHJDDCMYGQ-VXGBXAGGSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CCO)C1 ZINC000309269457 350247552 /nfs/dbraw/zinc/24/75/52/350247552.db2.gz QULVOHJDDCMYGQ-VXGBXAGGSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CCO)C1 ZINC000309269457 350247557 /nfs/dbraw/zinc/24/75/57/350247557.db2.gz QULVOHJDDCMYGQ-VXGBXAGGSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000309269457 350247561 /nfs/dbraw/zinc/24/75/61/350247561.db2.gz QULVOHJDDCMYGQ-VXGBXAGGSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CCO)C1 ZINC000309269457 350247564 /nfs/dbraw/zinc/24/75/64/350247564.db2.gz QULVOHJDDCMYGQ-VXGBXAGGSA-N 2 1 230.352 0.003 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCNC1=O ZINC000245703929 180265908 /nfs/dbraw/zinc/26/59/08/180265908.db2.gz WLEGFJWKVGQNLC-RYUDHWBXSA-N 2 1 248.330 0.544 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCNC1=O ZINC000245703929 180265910 /nfs/dbraw/zinc/26/59/10/180265910.db2.gz WLEGFJWKVGQNLC-RYUDHWBXSA-N 2 1 248.330 0.544 10 0 BCAEMP Cc1[nH+]cn(CCn2cc(C[NH3+])nn2)c1C ZINC000052593593 180287550 /nfs/dbraw/zinc/28/75/50/180287550.db2.gz OEMZAIXLBNUTCL-UHFFFAOYSA-N 2 1 220.280 0.250 10 0 BCAEMP Cn1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000309347452 350326938 /nfs/dbraw/zinc/32/69/38/350326938.db2.gz MLPDPXHITFJLIP-DLOVCJGASA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000309347452 350326940 /nfs/dbraw/zinc/32/69/40/350326940.db2.gz MLPDPXHITFJLIP-DLOVCJGASA-N 2 1 220.320 0.589 10 0 BCAEMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309409267 350371691 /nfs/dbraw/zinc/37/16/91/350371691.db2.gz WKHZFCYGRVHXCT-HBNTYKKESA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1c1cc2c(nn1)CC[N@@H+](C)C2 ZINC000725264864 538091945 /nfs/dbraw/zinc/09/19/45/538091945.db2.gz NDERRHXITNCGQV-SNVBAGLBSA-N 2 1 247.346 0.263 10 0 BCAEMP [NH3+]CCN1CCC[C@@H](c2nc[nH]n2)CC1 ZINC000616600246 350779108 /nfs/dbraw/zinc/77/91/08/350779108.db2.gz AXTAOBGBATTZMY-SECBINFHSA-N 2 1 209.297 0.333 10 0 BCAEMP C[C@@H]1C[N@@H+](CCC(C)(C)O)CC[C@H]1[NH3+] ZINC000251617984 350899479 /nfs/dbraw/zinc/89/94/79/350899479.db2.gz DTWMURPQVFZWQE-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP [NH3+]CCN1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616626995 351107011 /nfs/dbraw/zinc/10/70/11/351107011.db2.gz AQTJVEHCQGKGCD-JTQLQIEISA-N 2 1 208.309 0.938 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH3+])[C@@H](C)C1 ZINC000252108415 363067746 /nfs/dbraw/zinc/06/77/46/363067746.db2.gz HJRYTEIOCZOBSH-OUAUKWLOSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]1CCC[N@H+](CC(C)(C)O)[C@H]1C[NH3+] ZINC000252105709 363068513 /nfs/dbraw/zinc/06/85/13/363068513.db2.gz GZJCTSLYSHROOV-ZJUUUORDSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CC(C)(C)O)[C@H]1C[NH3+] ZINC000252105709 363068520 /nfs/dbraw/zinc/06/85/20/363068520.db2.gz GZJCTSLYSHROOV-ZJUUUORDSA-N 2 1 200.326 0.817 10 0 BCAEMP CC(=O)CC[NH+]1C[C@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000307194064 351595361 /nfs/dbraw/zinc/59/53/61/351595361.db2.gz HXLNPIPHUIKLOJ-VXGBXAGGSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000307194064 351595365 /nfs/dbraw/zinc/59/53/65/351595365.db2.gz HXLNPIPHUIKLOJ-VXGBXAGGSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC000307194064 351595372 /nfs/dbraw/zinc/59/53/72/351595372.db2.gz HXLNPIPHUIKLOJ-VXGBXAGGSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@H+]1C[C@H]2C[NH+](C)CC[C@@H]2C1 ZINC000307194064 351595375 /nfs/dbraw/zinc/59/53/75/351595375.db2.gz HXLNPIPHUIKLOJ-VXGBXAGGSA-N 2 1 210.321 0.849 10 0 BCAEMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(N)=[NH2+] ZINC000307233580 351702266 /nfs/dbraw/zinc/70/22/66/351702266.db2.gz MAAJVKIRLSTUTN-SNVBAGLBSA-N 2 1 220.320 0.990 10 0 BCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(N)=[NH2+] ZINC000307233580 351702269 /nfs/dbraw/zinc/70/22/69/351702269.db2.gz MAAJVKIRLSTUTN-SNVBAGLBSA-N 2 1 220.320 0.990 10 0 BCAEMP CC(C)(C)[C@@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000307299407 351916815 /nfs/dbraw/zinc/91/68/15/351916815.db2.gz YNSNIUGUZPKKNM-JTQLQIEISA-N 2 1 200.326 0.689 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638080915 351954209 /nfs/dbraw/zinc/95/42/09/351954209.db2.gz YTGCEOLIRWDLSE-LBPRGKRZSA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@H]1CNCC[N@H+]1C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270379 538101911 /nfs/dbraw/zinc/10/19/11/538101911.db2.gz LEGUCBCSWDSIKP-GMKTYKIGSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@H]1C[NH2+]CCN1C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270379 538101913 /nfs/dbraw/zinc/10/19/13/538101913.db2.gz LEGUCBCSWDSIKP-GMKTYKIGSA-N 2 1 223.364 0.940 10 0 BCAEMP [NH3+][C@@H]1CC12CCC([N@H+]1CC[C@@H](CO)C1)CC2 ZINC000725270396 538102180 /nfs/dbraw/zinc/10/21/80/538102180.db2.gz LVLIGBHQGPBITN-CQLXCSJHSA-N 2 1 224.348 0.961 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000040503553 352597999 /nfs/dbraw/zinc/59/79/99/352597999.db2.gz XXOAJFFHLCDXKS-WDEREUQCSA-N 2 1 227.352 0.570 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C1 ZINC000040503555 352598124 /nfs/dbraw/zinc/59/81/24/352598124.db2.gz XXOAJFFHLCDXKS-GHMZBOCLSA-N 2 1 227.352 0.570 10 0 BCAEMP CCOC(=O)CC1([NH3+])CC[NH+](C)CC1 ZINC000114961996 538105353 /nfs/dbraw/zinc/10/53/53/538105353.db2.gz MMLNSQSCIAIYEF-UHFFFAOYSA-N 2 1 200.282 0.363 10 0 BCAEMP C[N@@H+]1CCC[C@@H](C[NH2+]C(C)(C)C(N)=O)C1 ZINC000054243469 188006215 /nfs/dbraw/zinc/00/62/15/188006215.db2.gz BBOUHPINXBQGMG-VIFPVBQESA-N 2 1 213.325 0.182 10 0 BCAEMP C[N@H+]1CCC[C@@H](C[NH2+]C(C)(C)C(N)=O)C1 ZINC000054243469 188006216 /nfs/dbraw/zinc/00/62/16/188006216.db2.gz BBOUHPINXBQGMG-VIFPVBQESA-N 2 1 213.325 0.182 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000250320560 353269851 /nfs/dbraw/zinc/26/98/51/353269851.db2.gz NBXAIZHTYVEYSW-QJPTWQEYSA-N 2 1 239.363 0.714 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000252128057 353296671 /nfs/dbraw/zinc/29/66/71/353296671.db2.gz LQRNZVNQSURALF-NOOOWODRSA-N 2 1 239.363 0.713 10 0 BCAEMP C1C[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C[NH2+]1 ZINC000226434773 188331228 /nfs/dbraw/zinc/33/12/28/188331228.db2.gz IDMJAKVRAXMECI-SRVKXCTJSA-N 2 1 209.337 0.565 10 0 BCAEMP C([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CSCCS1 ZINC000229584909 188335091 /nfs/dbraw/zinc/33/50/91/188335091.db2.gz ODZBWKJLJYSLPT-BDAKNGLRSA-N 2 1 218.391 0.787 10 0 BCAEMP Cc1cc(NC[C@@H]2COCCN2)c(C#N)cn1 ZINC000399027848 353690871 /nfs/dbraw/zinc/69/08/71/353690871.db2.gz ICUSFLQESCYNKQ-LLVKDONJSA-N 2 1 232.287 0.084 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000220122333 353822641 /nfs/dbraw/zinc/82/26/41/353822641.db2.gz GRZAHYYNAQCDOO-GRYCIOLGSA-N 2 1 241.379 0.688 10 0 BCAEMP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH3+])C1 ZINC000301053883 363395572 /nfs/dbraw/zinc/39/55/72/363395572.db2.gz ZGSYWZNKDHCCAU-ZNSHCXBVSA-N 2 1 200.326 0.672 10 0 BCAEMP CCOC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)C ZINC000233750965 363407637 /nfs/dbraw/zinc/40/76/37/363407637.db2.gz NRDXDGWEGLPNNV-GHMZBOCLSA-N 2 1 200.326 0.999 10 0 BCAEMP NC(=O)C1([NH2+]C2CCCC2)CC[NH2+]CC1 ZINC000040695232 181214702 /nfs/dbraw/zinc/21/47/02/181214702.db2.gz NJRAGKWVSFWTFD-UHFFFAOYSA-N 2 1 211.309 0.126 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000042438603 181219602 /nfs/dbraw/zinc/21/96/02/181219602.db2.gz HNYKTPQVPFQBSZ-GHMZBOCLSA-N 2 1 225.336 0.454 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042438604 181219676 /nfs/dbraw/zinc/21/96/76/181219676.db2.gz HNYKTPQVPFQBSZ-QWRGUYRKSA-N 2 1 225.336 0.454 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000042438606 181220757 /nfs/dbraw/zinc/22/07/57/181220757.db2.gz NSRVSEUKXSBQSG-NEPJUHHUSA-N 2 1 239.363 0.844 10 0 BCAEMP NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918101 181223316 /nfs/dbraw/zinc/22/33/16/181223316.db2.gz CDVHDCCDPLUOKQ-MNOVXSKESA-N 2 1 225.336 0.326 10 0 BCAEMP NC(=O)CC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602045 181223804 /nfs/dbraw/zinc/22/38/04/181223804.db2.gz BKUCFYJPMYLVCI-PBINXNQUSA-N 2 1 211.309 0.206 10 0 BCAEMP CC(C)[N@@H+](CCC[NH+](C)C)CCOCCO ZINC000304363666 192015710 /nfs/dbraw/zinc/01/57/10/192015710.db2.gz SRBCGNKZLNNMKW-UHFFFAOYSA-N 2 1 232.368 0.657 10 0 BCAEMP COc1ncccc1[C@@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000675073670 538506425 /nfs/dbraw/zinc/50/64/25/538506425.db2.gz SMOUNVKYEOYOGU-WCBMZHEXSA-N 2 1 207.277 0.494 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@@H+]1CCCn1ccnc1 ZINC000189315234 357631024 /nfs/dbraw/zinc/63/10/24/357631024.db2.gz HPXMHOFNQPLVPP-LLVKDONJSA-N 2 1 236.319 0.484 10 0 BCAEMP N[C@@H]1C[NH2+]CC[C@@H]1C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000685950540 538894096 /nfs/dbraw/zinc/89/40/96/538894096.db2.gz SSHFMEIJUCKSBW-UASOCQBVSA-N 2 1 223.364 0.831 10 0 BCAEMP CCN1CC[NH+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000685951659 538895211 /nfs/dbraw/zinc/89/52/11/538895211.db2.gz VICUKPZMLAACTQ-ITGUQSILSA-N 2 1 225.380 0.868 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH3+] ZINC000086188181 357871727 /nfs/dbraw/zinc/87/17/27/357871727.db2.gz DKAVEMUYUGDQDG-WDEREUQCSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@@H]1C[C@H](O)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639938744 357944389 /nfs/dbraw/zinc/94/43/89/357944389.db2.gz KOCIRJWAWFTRTL-RTXFEEFZSA-N 2 1 242.363 0.287 10 0 BCAEMP C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000639938744 357944393 /nfs/dbraw/zinc/94/43/93/357944393.db2.gz KOCIRJWAWFTRTL-RTXFEEFZSA-N 2 1 242.363 0.287 10 0 BCAEMP C[C@@H]1C[C@H](O)CC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000639938744 357944398 /nfs/dbraw/zinc/94/43/98/357944398.db2.gz KOCIRJWAWFTRTL-RTXFEEFZSA-N 2 1 242.363 0.287 10 0 BCAEMP C1CC1[N@H+]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000168742010 134247931 /nfs/dbraw/zinc/24/79/31/134247931.db2.gz XRAGHHIXYQXNAA-NWDGAFQWSA-N 2 1 223.364 0.955 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624508 358244587 /nfs/dbraw/zinc/24/45/87/358244587.db2.gz BWVKWBPMZUUGLP-NEPJUHHUSA-N 2 1 241.379 0.960 10 0 BCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227432899 358357710 /nfs/dbraw/zinc/35/77/10/358357710.db2.gz ZYHYFQYIDQNXQI-DGCLKSJQSA-N 2 1 241.379 0.975 10 0 BCAEMP C[C@@H]1C[N@H+](C[C@@](C)(O)C[NH3+])C[C@H](C)S1 ZINC000306213434 359307413 /nfs/dbraw/zinc/30/74/13/359307413.db2.gz WWPXKMNWLRRXHJ-AEJSXWLSSA-N 2 1 218.366 0.522 10 0 BCAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1C[C@H](O)C[C@H]1C ZINC000306514876 360338062 /nfs/dbraw/zinc/33/80/62/360338062.db2.gz BKYDNJJMIJQODY-LMLFDSFASA-N 2 1 200.326 0.957 10 0 BCAEMP C[C@@H](C[NH3+])[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000306579876 360472977 /nfs/dbraw/zinc/47/29/77/360472977.db2.gz NIPKBWFJDGOVRC-VIFPVBQESA-N 2 1 243.351 0.790 10 0 BCAEMP COCC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309612140 491152453 /nfs/dbraw/zinc/15/24/53/491152453.db2.gz BRHLQRMZAMFPQO-NSHDSACASA-N 2 1 230.352 0.458 10 0 BCAEMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309965708 491158603 /nfs/dbraw/zinc/15/86/03/491158603.db2.gz NJFVJIMSIXSMDT-GHMZBOCLSA-N 2 1 230.352 0.456 10 0 BCAEMP [NH3+]C1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000042188294 181343699 /nfs/dbraw/zinc/34/36/99/181343699.db2.gz YTPPVOQLAJBVFA-GFCCVEGCSA-N 2 1 228.336 0.953 10 0 BCAEMP C[C@H]1CC[N@H+](CCC(C)(C)O)C[C@H]1[NH3+] ZINC000252609716 364014472 /nfs/dbraw/zinc/01/44/72/364014472.db2.gz UCVOGPRXVDRZCG-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@H]1CC[N@@H+](CCC(C)(C)O)C[C@H]1[NH3+] ZINC000252609716 364014474 /nfs/dbraw/zinc/01/44/74/364014474.db2.gz UCVOGPRXVDRZCG-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP COCCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357203 364079912 /nfs/dbraw/zinc/07/99/12/364079912.db2.gz CPHZRQBPORIQQC-NEPJUHHUSA-N 2 1 230.352 0.851 10 0 BCAEMP COCCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357203 364079914 /nfs/dbraw/zinc/07/99/14/364079914.db2.gz CPHZRQBPORIQQC-NEPJUHHUSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361267 364080463 /nfs/dbraw/zinc/08/04/63/364080463.db2.gz IMASVPYNUWXRAV-NEPJUHHUSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361267 364080468 /nfs/dbraw/zinc/08/04/68/364080468.db2.gz IMASVPYNUWXRAV-NEPJUHHUSA-N 2 1 230.352 0.851 10 0 BCAEMP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630369239 364086106 /nfs/dbraw/zinc/08/61/06/364086106.db2.gz WAVDNUIQNBAXDZ-FRRDWIJNSA-N 2 1 242.363 0.994 10 0 BCAEMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630369239 364086109 /nfs/dbraw/zinc/08/61/09/364086109.db2.gz WAVDNUIQNBAXDZ-FRRDWIJNSA-N 2 1 242.363 0.994 10 0 BCAEMP C[NH2+]CCOCCNc1cc[nH+]cc1Cl ZINC000630530665 364218850 /nfs/dbraw/zinc/21/88/50/364218850.db2.gz OECZRPFNPLZYJD-UHFFFAOYSA-N 2 1 229.711 0.805 10 0 BCAEMP [NH3+]CCCC[N@H+]1CCCN([C@@H]2CCOC2)CC1 ZINC000104119124 181376245 /nfs/dbraw/zinc/37/62/45/181376245.db2.gz SVYLDLSEBQDGAH-CYBMUJFWSA-N 2 1 241.379 0.522 10 0 BCAEMP CC[N@H+](CC(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000168804632 365012164 /nfs/dbraw/zinc/01/21/64/365012164.db2.gz JWPUBQHZDIALFK-LLVKDONJSA-N 2 1 227.352 0.539 10 0 BCAEMP CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000168804632 365012167 /nfs/dbraw/zinc/01/21/67/365012167.db2.gz JWPUBQHZDIALFK-LLVKDONJSA-N 2 1 227.352 0.539 10 0 BCAEMP [NH3+]CCC[N@H+]1CCCN(Cc2ncccn2)CC1 ZINC000054458619 181381249 /nfs/dbraw/zinc/38/12/49/181381249.db2.gz NPJPQJFVPWMDPS-UHFFFAOYSA-N 2 1 249.362 0.333 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CC[NH+](C)C1 ZINC000383597145 367643516 /nfs/dbraw/zinc/64/35/16/367643516.db2.gz PKFGGVIJVANYKC-QWHCGFSZSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000383597145 367643521 /nfs/dbraw/zinc/64/35/21/367643521.db2.gz PKFGGVIJVANYKC-QWHCGFSZSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000383597145 367643525 /nfs/dbraw/zinc/64/35/25/367643525.db2.gz PKFGGVIJVANYKC-QWHCGFSZSA-N 2 1 243.395 0.183 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])CC[C@H]1O ZINC000253208110 368616217 /nfs/dbraw/zinc/61/62/17/368616217.db2.gz YJOPRIAPXSQCIU-NXEZZACHSA-N 2 1 200.326 0.674 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000631842579 369369016 /nfs/dbraw/zinc/36/90/16/369369016.db2.gz CCIZUGICIZUQCH-WDEREUQCSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000631842579 369369019 /nfs/dbraw/zinc/36/90/19/369369019.db2.gz CCIZUGICIZUQCH-WDEREUQCSA-N 2 1 239.363 0.572 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404427854 369429407 /nfs/dbraw/zinc/42/94/07/369429407.db2.gz MVQPTKPUMXCTKJ-WDEREUQCSA-N 2 1 228.336 0.999 10 0 BCAEMP CC[NH2+][C@H](C)[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 ZINC000226846336 371749793 /nfs/dbraw/zinc/74/97/93/371749793.db2.gz UOZLGEWBCAIXLT-HBNTYKKESA-N 2 1 200.326 0.830 10 0 BCAEMP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H](O)C[NH3+] ZINC000132332208 371793622 /nfs/dbraw/zinc/79/36/22/371793622.db2.gz QPAZHGXTIRVRKB-HRDYMLBCSA-N 2 1 204.339 0.132 10 0 BCAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCC[C@@H](O)C1 ZINC000227289673 371825407 /nfs/dbraw/zinc/82/54/07/371825407.db2.gz GTWNQWSDPCVZHQ-VHSXEESVSA-N 2 1 200.326 0.817 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1=O ZINC000631836775 372625565 /nfs/dbraw/zinc/62/55/65/372625565.db2.gz GQABFKPXGLKIEZ-AXFHLTTASA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000631836847 372625849 /nfs/dbraw/zinc/62/58/49/372625849.db2.gz HYKRDTOHVAYECA-UWVGGRQHSA-N 2 1 208.309 0.447 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000631836847 372625853 /nfs/dbraw/zinc/62/58/53/372625853.db2.gz HYKRDTOHVAYECA-UWVGGRQHSA-N 2 1 208.309 0.447 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000631837292 372627764 /nfs/dbraw/zinc/62/77/64/372627764.db2.gz AAIDUHQJIJKGKS-ONGXEEELSA-N 2 1 208.309 0.447 10 0 BCAEMP C[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1C[NH3+] ZINC000631838349 372632092 /nfs/dbraw/zinc/63/20/92/372632092.db2.gz MTGKWWWZHARFAT-QWRGUYRKSA-N 2 1 208.309 0.410 10 0 BCAEMP C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838589 372634086 /nfs/dbraw/zinc/63/40/86/372634086.db2.gz QURIGKCMBZXPFM-OLZOCXBDSA-N 2 1 241.379 0.235 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838597 372634287 /nfs/dbraw/zinc/63/42/87/372634287.db2.gz QYMTZHKKKOGMDU-UWVGGRQHSA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1C[NH3+] ZINC000631838597 372634288 /nfs/dbraw/zinc/63/42/88/372634288.db2.gz QYMTZHKKKOGMDU-UWVGGRQHSA-N 2 1 225.336 0.134 10 0 BCAEMP CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842770 372640078 /nfs/dbraw/zinc/64/00/78/372640078.db2.gz FOGDYAIWXLPJGW-MNOVXSKESA-N 2 1 227.352 0.285 10 0 BCAEMP CC(C)CNC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842770 372640084 /nfs/dbraw/zinc/64/00/84/372640084.db2.gz FOGDYAIWXLPJGW-MNOVXSKESA-N 2 1 227.352 0.285 10 0 BCAEMP C[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631841950 372641584 /nfs/dbraw/zinc/64/15/84/372641584.db2.gz SFFKLXWWAHLKHB-WDEREUQCSA-N 2 1 225.336 0.135 10 0 BCAEMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844070 372643768 /nfs/dbraw/zinc/64/37/68/372643768.db2.gz UZLFMOHHDPLJNG-MNOVXSKESA-N 2 1 241.379 0.818 10 0 BCAEMP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844070 372643772 /nfs/dbraw/zinc/64/37/72/372643772.db2.gz UZLFMOHHDPLJNG-MNOVXSKESA-N 2 1 241.379 0.818 10 0 BCAEMP OCC1([N@H+]2CCC[NH2+]CC2)CCSCC1 ZINC000041058908 183036738 /nfs/dbraw/zinc/03/67/38/183036738.db2.gz VNALCHOIWPHGKS-UHFFFAOYSA-N 2 1 230.377 0.540 10 0 BCAEMP OC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000251517765 183118225 /nfs/dbraw/zinc/11/82/25/183118225.db2.gz WIORRWOMXVUXHP-NWDGAFQWSA-N 2 1 212.337 0.690 10 0 BCAEMP OC[C@@H](C1CCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000050272997 183102523 /nfs/dbraw/zinc/10/25/23/183102523.db2.gz KRKRHKIIGZHTED-LBPRGKRZSA-N 2 1 212.337 0.833 10 0 BCAEMP CCCN(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037098096 169087785 /nfs/dbraw/zinc/08/77/85/169087785.db2.gz XXPBWQAEXNSJBD-GFCCVEGCSA-N 2 1 211.353 0.751 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000226406951 169120216 /nfs/dbraw/zinc/12/02/16/169120216.db2.gz ZTLDNVHZGJOJIA-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[N@H+](CCC[NH3+])CC(=O)N[C@@H](C)COC ZINC000049290498 169155855 /nfs/dbraw/zinc/15/58/55/169155855.db2.gz VPWWHIFJWISZDR-NSHDSACASA-N 2 1 245.367 0.198 10 0 BCAEMP CCC[N@@H+](CCC[NH3+])CC(=O)N[C@@H](C)COC ZINC000049290498 169155856 /nfs/dbraw/zinc/15/58/56/169155856.db2.gz VPWWHIFJWISZDR-NSHDSACASA-N 2 1 245.367 0.198 10 0 BCAEMP CCC[NH2+]CC(C)(C)C[N@@H+](C)C[C@H](O)COC ZINC000051284415 169256009 /nfs/dbraw/zinc/25/60/09/169256009.db2.gz KZMQSVCCYHCZGF-LBPRGKRZSA-N 2 1 246.395 0.951 10 0 BCAEMP c1cc2cc(c1)NCC[NH2+]CC[NH2+]CCN2 ZINC000039124198 183374892 /nfs/dbraw/zinc/37/48/92/183374892.db2.gz IXWIIPSJBDNMGS-UHFFFAOYSA-N 2 1 220.320 0.703 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037484143 169389397 /nfs/dbraw/zinc/38/93/97/169389397.db2.gz LIBPAYKIQVGIIL-WDEREUQCSA-N 2 1 227.352 0.572 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673730 169391947 /nfs/dbraw/zinc/39/19/47/169391947.db2.gz DJRVIXDTXWMLPN-VHSXEESVSA-N 2 1 213.325 0.324 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000132379303 384185479 /nfs/dbraw/zinc/18/54/79/384185479.db2.gz LEQVYWQQKMCVNZ-DTWKUNHWSA-N 2 1 200.282 0.219 10 0 BCAEMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000400343484 384194580 /nfs/dbraw/zinc/19/45/80/384194580.db2.gz IFCGKZZSZVVEKY-SRVKXCTJSA-N 2 1 211.353 0.668 10 0 BCAEMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CC[NH2+]C1 ZINC000400343484 384194582 /nfs/dbraw/zinc/19/45/82/384194582.db2.gz IFCGKZZSZVVEKY-SRVKXCTJSA-N 2 1 211.353 0.668 10 0 BCAEMP Cc1nccc(NCC(F)(F)C[NH3+])n1 ZINC000164927921 384335817 /nfs/dbraw/zinc/33/58/17/384335817.db2.gz JDPPRPIUJSWCJQ-UHFFFAOYSA-N 2 1 202.208 0.791 10 0 BCAEMP C[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088898 384361585 /nfs/dbraw/zinc/36/15/85/384361585.db2.gz IUDSIJFUYYZMDG-JTQLQIEISA-N 2 1 225.336 0.278 10 0 BCAEMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335657998 384459938 /nfs/dbraw/zinc/45/99/38/384459938.db2.gz RDCJHWQVJFRSPN-PWSUYJOCSA-N 2 1 237.347 0.434 10 0 BCAEMP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCC ZINC000236712336 384558011 /nfs/dbraw/zinc/55/80/11/384558011.db2.gz VGVSBKUVLAUXCU-NSHDSACASA-N 2 1 229.368 0.962 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CO1 ZINC000402200732 384571142 /nfs/dbraw/zinc/57/11/42/384571142.db2.gz GUUAFCFVKMXYLZ-FRRDWIJNSA-N 2 1 242.363 0.600 10 0 BCAEMP COC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000375876893 384827143 /nfs/dbraw/zinc/82/71/43/384827143.db2.gz REMXPJPDNBSESZ-ZJUUUORDSA-N 2 1 209.293 0.822 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccno3)C[C@@H]12 ZINC000309011637 385059464 /nfs/dbraw/zinc/05/94/64/385059464.db2.gz XHONWMVPTLQFTR-FBIMIBRVSA-N 2 1 207.277 0.844 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccno3)C[C@@H]12 ZINC000309011637 385059471 /nfs/dbraw/zinc/05/94/71/385059471.db2.gz XHONWMVPTLQFTR-FBIMIBRVSA-N 2 1 207.277 0.844 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CCO)C1)C1CC1 ZINC000310449579 385070731 /nfs/dbraw/zinc/07/07/31/385070731.db2.gz RYWYIQZVFOHBOY-AAEUAGOBSA-N 2 1 242.363 0.146 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CCO)C1)C1CC1 ZINC000310449579 385070738 /nfs/dbraw/zinc/07/07/38/385070738.db2.gz RYWYIQZVFOHBOY-AAEUAGOBSA-N 2 1 242.363 0.146 10 0 BCAEMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1)C1CC1 ZINC000310449579 385070743 /nfs/dbraw/zinc/07/07/43/385070743.db2.gz RYWYIQZVFOHBOY-AAEUAGOBSA-N 2 1 242.363 0.146 10 0 BCAEMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CCO)C1)C1CC1 ZINC000310449579 385070747 /nfs/dbraw/zinc/07/07/47/385070747.db2.gz RYWYIQZVFOHBOY-AAEUAGOBSA-N 2 1 242.363 0.146 10 0 BCAEMP OCC1(C[NH2+][C@H]2CC[NH2+]C2)CCCCC1 ZINC000168339636 385358318 /nfs/dbraw/zinc/35/83/18/385358318.db2.gz QSSFATAOXSYGHP-NSHDSACASA-N 2 1 212.337 0.881 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000165747614 385413300 /nfs/dbraw/zinc/41/33/00/385413300.db2.gz ZSVCAHBWXVUQEP-WOPDTQHZSA-N 2 1 239.363 0.714 10 0 BCAEMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000257692120 385488096 /nfs/dbraw/zinc/48/80/96/385488096.db2.gz LZZCRSPUAOHUBZ-QWRGUYRKSA-N 2 1 225.336 0.420 10 0 BCAEMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000257669584 385484476 /nfs/dbraw/zinc/48/44/76/385484476.db2.gz GCQDWFSUESXWOW-QWRGUYRKSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000257669583 385485488 /nfs/dbraw/zinc/48/54/88/385485488.db2.gz GCQDWFSUESXWOW-MNOVXSKESA-N 2 1 225.336 0.278 10 0 BCAEMP C[C@@H]1C[C@@](O)(C(C)(C)C[NH3+])CC[N@H+]1C ZINC000157182835 385490089 /nfs/dbraw/zinc/49/00/89/385490089.db2.gz WCCXZTLNPYSRNQ-MWLCHTKSSA-N 2 1 200.326 0.817 10 0 BCAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC000309317647 385529537 /nfs/dbraw/zinc/52/95/37/385529537.db2.gz DLICBXSZJQVZNX-GHMZBOCLSA-N 2 1 221.304 0.967 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CC[N@H+]1C ZINC000336679050 385619308 /nfs/dbraw/zinc/61/93/08/385619308.db2.gz WZLKVXLPENRHHM-GHMZBOCLSA-N 2 1 223.324 0.350 10 0 BCAEMP C[N@@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000259130857 385655045 /nfs/dbraw/zinc/65/50/45/385655045.db2.gz UEFMNCCKSHXUJS-SDDRHHMPSA-N 2 1 211.353 0.940 10 0 BCAEMP C[N@H+]1CCC[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000259130857 385655050 /nfs/dbraw/zinc/65/50/50/385655050.db2.gz UEFMNCCKSHXUJS-SDDRHHMPSA-N 2 1 211.353 0.940 10 0 BCAEMP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251198822 385934965 /nfs/dbraw/zinc/93/49/65/385934965.db2.gz KJWHFDUZICYSGN-MNOVXSKESA-N 2 1 225.336 0.420 10 0 BCAEMP CCc1cc(N(C)CCOCC[NH3+])nc(C)[nH+]1 ZINC000310071651 386078204 /nfs/dbraw/zinc/07/82/04/386078204.db2.gz WXLKREIXPQQOHZ-UHFFFAOYSA-N 2 1 238.335 0.759 10 0 BCAEMP C[NH+](C)[C@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310339776 386174192 /nfs/dbraw/zinc/17/41/92/386174192.db2.gz MKELPSQWCIVWNZ-QWHCGFSZSA-N 2 1 241.379 0.077 10 0 BCAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000336676392 386324690 /nfs/dbraw/zinc/32/46/90/386324690.db2.gz XJMCRDDWBQPQDD-NSHDSACASA-N 2 1 200.326 0.642 10 0 BCAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000306887989 386479245 /nfs/dbraw/zinc/47/92/45/386479245.db2.gz VIRONICAQQBTBP-OPRDCNLKSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000306887991 386480160 /nfs/dbraw/zinc/48/01/60/386480160.db2.gz VIRONICAQQBTBP-UTLUCORTSA-N 2 1 200.326 0.672 10 0 BCAEMP OCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCCCC1 ZINC000168339560 386757886 /nfs/dbraw/zinc/75/78/86/386757886.db2.gz QSSFATAOXSYGHP-LLVKDONJSA-N 2 1 212.337 0.881 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)CC[N@@H+]1C ZINC000246376044 387080548 /nfs/dbraw/zinc/08/05/48/387080548.db2.gz JRCBSDAJKHSHOV-UTUOFQBUSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)CC[N@H+]1C ZINC000246376044 387080555 /nfs/dbraw/zinc/08/05/55/387080555.db2.gz JRCBSDAJKHSHOV-UTUOFQBUSA-N 2 1 249.362 0.665 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000645687119 387271970 /nfs/dbraw/zinc/27/19/70/387271970.db2.gz MUTMBMNSPXDECX-MNOVXSKESA-N 2 1 239.363 0.585 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812752 387443505 /nfs/dbraw/zinc/44/35/05/387443505.db2.gz GAUZJXQHBWPESP-GHMZBOCLSA-N 2 1 225.336 0.420 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812752 387443509 /nfs/dbraw/zinc/44/35/09/387443509.db2.gz GAUZJXQHBWPESP-GHMZBOCLSA-N 2 1 225.336 0.420 10 0 BCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000305776413 387650643 /nfs/dbraw/zinc/65/06/43/387650643.db2.gz KRCXUJGAFZSWEQ-KKOKHZNYSA-N 2 1 242.363 0.312 10 0 BCAEMP CCC[N@H+]1CC[C@@H](CN[C@H]2CC[NH2+]C2)C1 ZINC000422972048 387821074 /nfs/dbraw/zinc/82/10/74/387821074.db2.gz KKRFFTQLSBQQPK-RYUDHWBXSA-N 2 1 211.353 0.670 10 0 BCAEMP COC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151344177 387825071 /nfs/dbraw/zinc/82/50/71/387825071.db2.gz AMXHQCXTHYOGTC-NEPJUHHUSA-N 2 1 230.352 0.458 10 0 BCAEMP C[C@H]([NH3+])CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000163733517 387925333 /nfs/dbraw/zinc/92/53/33/387925333.db2.gz MHYGERVDOAWTJG-SDDRHHMPSA-N 2 1 211.353 0.892 10 0 BCAEMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C12CCC2 ZINC000423167231 387951783 /nfs/dbraw/zinc/95/17/83/387951783.db2.gz DVQSIEIAWHLGKF-OUAUKWLOSA-N 2 1 210.321 0.896 10 0 BCAEMP C[C@@H]1CSC[C@H]1[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306185304 388023682 /nfs/dbraw/zinc/02/36/82/388023682.db2.gz HCCBREQDJKRMQM-CHWFTXMASA-N 2 1 212.362 0.889 10 0 BCAEMP CN(C)c1nc(N2CCC[C@H]2C[NH3+])cc[nH+]1 ZINC000082924449 388042645 /nfs/dbraw/zinc/04/26/45/388042645.db2.gz VAXWTOYGBVBUEW-VIFPVBQESA-N 2 1 221.308 0.470 10 0 BCAEMP CN(C)c1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000086485438 388103738 /nfs/dbraw/zinc/10/37/38/388103738.db2.gz ZINATOHTVFKURR-AOOOYVTPSA-N 2 1 233.319 0.198 10 0 BCAEMP [NH3+]CCOCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000086930144 388111242 /nfs/dbraw/zinc/11/12/42/388111242.db2.gz GTQDXXJQGIMVOX-LBPRGKRZSA-N 2 1 227.352 0.132 10 0 BCAEMP [NH3+]CCOCC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000086930144 388111246 /nfs/dbraw/zinc/11/12/46/388111246.db2.gz GTQDXXJQGIMVOX-LBPRGKRZSA-N 2 1 227.352 0.132 10 0 BCAEMP Cc1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cnn1C ZINC000261551844 388643143 /nfs/dbraw/zinc/64/31/43/388643143.db2.gz MKQXIYHTZBWIQI-WCFLWFBJSA-N 2 1 234.347 0.898 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000224048688 388660536 /nfs/dbraw/zinc/66/05/36/388660536.db2.gz QIQVKRZUGDVJRX-ZJUUUORDSA-N 2 1 213.325 0.324 10 0 BCAEMP C[C@@H](CC(N)=[NH2+])[NH+]1CCN(c2ccccn2)CC1 ZINC000048249780 132355333 /nfs/dbraw/zinc/35/53/33/132355333.db2.gz ZXZNODPWWKFYCC-NSHDSACASA-N 2 1 247.346 0.918 10 0 BCAEMP CN(C)c1nc(N2CCC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000068690021 132364815 /nfs/dbraw/zinc/36/48/15/132364815.db2.gz TXOSIZAKJOCYPZ-SNVBAGLBSA-N 2 1 235.335 0.718 10 0 BCAEMP C[C@H](O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252753336 135107317 /nfs/dbraw/zinc/10/73/17/135107317.db2.gz CIEBQBLPCMQONQ-SRVKXCTJSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1[C@H]([NH3+])CCN1c1cc[nH+]c(N(C)C)n1 ZINC000261568864 135109994 /nfs/dbraw/zinc/10/99/94/135109994.db2.gz FWNPFTHIIXBXNG-RKDXNWHRSA-N 2 1 221.308 0.469 10 0 BCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1C[NH2+]C1 ZINC000258611663 135133039 /nfs/dbraw/zinc/13/30/39/135133039.db2.gz BBOGMEUMWQFSQZ-SNVBAGLBSA-N 2 1 225.336 0.006 10 0 BCAEMP C[C@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257769651 135142018 /nfs/dbraw/zinc/14/20/18/135142018.db2.gz BSBIAULVXDYXNV-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257769651 135142019 /nfs/dbraw/zinc/14/20/19/135142019.db2.gz BSBIAULVXDYXNV-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261545723 135150598 /nfs/dbraw/zinc/15/05/98/135150598.db2.gz KFDXJIKIGBWLPL-UTUOFQBUSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1CO ZINC000261531166 135160119 /nfs/dbraw/zinc/16/01/19/135160119.db2.gz FLNGXDWUDTUUPW-UTUOFQBUSA-N 2 1 212.337 0.689 10 0 BCAEMP OC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000087647765 135161098 /nfs/dbraw/zinc/16/10/98/135161098.db2.gz WIORRWOMXVUXHP-RYUDHWBXSA-N 2 1 212.337 0.690 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261533338 135165037 /nfs/dbraw/zinc/16/50/37/135165037.db2.gz GUDCKUFZGKABDZ-GMTAPVOTSA-N 2 1 225.336 0.276 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261533338 135165039 /nfs/dbraw/zinc/16/50/39/135165039.db2.gz GUDCKUFZGKABDZ-GMTAPVOTSA-N 2 1 225.336 0.276 10 0 BCAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CCOCC[NH3+] ZINC000261537008 135173468 /nfs/dbraw/zinc/17/34/68/135173468.db2.gz UNNLJQLROXWQPG-AOOOYVTPSA-N 2 1 202.298 0.071 10 0 BCAEMP C[C@@]1(C[N@H+]2CC[C@H](CCO)C2)CC[NH2+]C1 ZINC000261550572 135189402 /nfs/dbraw/zinc/18/94/02/135189402.db2.gz PNZATOBDICAGHZ-VXGBXAGGSA-N 2 1 212.337 0.690 10 0 BCAEMP C[C@@H]1[C@@H](CO)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261554182 135193723 /nfs/dbraw/zinc/19/37/23/135193723.db2.gz UASQZMFNCKYHPX-ZYHUDNBSSA-N 2 1 212.337 0.689 10 0 BCAEMP C[N@@H+](C[C@H]1CCC[NH2+]C1)CC1(CO)CC1 ZINC000261557219 135198089 /nfs/dbraw/zinc/19/80/89/135198089.db2.gz XBMPKKFVDYCMMW-NSHDSACASA-N 2 1 212.337 0.690 10 0 BCAEMP C[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261656330 135243445 /nfs/dbraw/zinc/24/34/45/135243445.db2.gz HTVNFDHBRONIJU-WCQYABFASA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000261656330 135243447 /nfs/dbraw/zinc/24/34/47/135243447.db2.gz HTVNFDHBRONIJU-WCQYABFASA-N 2 1 237.347 0.420 10 0 BCAEMP COC(=O)[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261887168 135260151 /nfs/dbraw/zinc/26/01/51/135260151.db2.gz SDQKUAVJQIPMDX-DGCLKSJQSA-N 2 1 240.347 0.871 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261919917 135262649 /nfs/dbraw/zinc/26/26/49/135262649.db2.gz YSKBTRXAVGQSMV-RYUDHWBXSA-N 2 1 241.379 0.912 10 0 BCAEMP COCCO[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261930630 135264106 /nfs/dbraw/zinc/26/41/06/135264106.db2.gz LNHVPHQELPKBKI-CHWSQXEVSA-N 2 1 242.363 0.723 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000261949887 135265289 /nfs/dbraw/zinc/26/52/89/135265289.db2.gz FVFGISMIKJCROX-LOWDOPEQSA-N 3 1 223.364 0.655 10 0 BCAEMP C[C@]1(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000261949887 135265291 /nfs/dbraw/zinc/26/52/91/135265291.db2.gz FVFGISMIKJCROX-LOWDOPEQSA-N 2 1 223.364 0.655 10 0 BCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262013430 135272048 /nfs/dbraw/zinc/27/20/48/135272048.db2.gz OFTJZKSZURGOSS-NSHDSACASA-N 2 1 241.379 0.914 10 0 BCAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1F ZINC000262143627 135281280 /nfs/dbraw/zinc/28/12/80/135281280.db2.gz PYZLNLAJWQRINO-WCQYABFASA-N 2 1 238.306 0.804 10 0 BCAEMP Cc1ncccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263122461 135333852 /nfs/dbraw/zinc/33/38/52/135333852.db2.gz BAXVIHSFZMBHDC-NEPJUHHUSA-N 2 1 221.304 0.060 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000263217826 135340210 /nfs/dbraw/zinc/34/02/10/135340210.db2.gz LEJWPZJSPAHLBD-QWHCGFSZSA-N 2 1 247.342 0.325 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000263242350 135342021 /nfs/dbraw/zinc/34/20/21/135342021.db2.gz OTRXARVXCOVGFO-QFVHEQCKSA-N 2 1 232.327 0.870 10 0 BCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263264734 135343401 /nfs/dbraw/zinc/34/34/01/135343401.db2.gz RKVQCSWSRZWVLF-WCQYABFASA-N 2 1 236.315 0.365 10 0 BCAEMP CC(C)n1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263312596 135345647 /nfs/dbraw/zinc/34/56/47/135345647.db2.gz YZHBQUIHZPGWES-RYUDHWBXSA-N 2 1 238.335 0.134 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000263315480 135345701 /nfs/dbraw/zinc/34/57/01/135345701.db2.gz ZJIMBJDLRBYXNE-SKDRFNHKSA-N 2 1 242.269 0.635 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH3+] ZINC000383405769 398018510 /nfs/dbraw/zinc/01/85/10/398018510.db2.gz AGKCUIXWDAOWOX-VXGBXAGGSA-N 2 1 211.353 0.894 10 0 BCAEMP CC[C@@H](CNC(=O)OC(C)(C)C)NCC[NH3+] ZINC000307079278 397976865 /nfs/dbraw/zinc/97/68/65/397976865.db2.gz NONDAWYBBQOBMO-VIFPVBQESA-N 2 1 231.340 0.838 10 0 BCAEMP CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]CC[NH3+] ZINC000307079278 397976868 /nfs/dbraw/zinc/97/68/68/397976868.db2.gz NONDAWYBBQOBMO-VIFPVBQESA-N 2 1 231.340 0.838 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000384071699 398065069 /nfs/dbraw/zinc/06/50/69/398065069.db2.gz VKNDFBBUWWRYIL-NEPJUHHUSA-N 2 1 239.363 0.729 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000638088097 398071401 /nfs/dbraw/zinc/07/14/01/398071401.db2.gz YUZAZWQQMLVGEJ-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000638088097 398071407 /nfs/dbraw/zinc/07/14/07/398071407.db2.gz YUZAZWQQMLVGEJ-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)[N@H+]1CC[C@](C[NH3+])(N2CCSCC2)C1 ZINC000045658467 167027476 /nfs/dbraw/zinc/02/74/76/167027476.db2.gz FHIHZNFKVNGOIK-GFCCVEGCSA-N 2 1 243.420 0.847 10 0 BCAEMP CC(C)[NH2+]CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812655 167100778 /nfs/dbraw/zinc/10/07/78/167100778.db2.gz WNDVTMPTGREGKD-GFCCVEGCSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335478683 410439225 /nfs/dbraw/zinc/43/92/25/410439225.db2.gz DYSBETHADSCIJZ-JTQLQIEISA-N 2 1 225.336 0.196 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C2)C1 ZINC000665235802 410727287 /nfs/dbraw/zinc/72/72/87/410727287.db2.gz AMLUOQOFPZVOQO-QWRGUYRKSA-N 2 1 211.353 0.811 10 0 BCAEMP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000070977051 167007032 /nfs/dbraw/zinc/00/70/32/167007032.db2.gz UTCXRCYEFPZFEN-GFCCVEGCSA-N 2 1 241.379 0.819 10 0 BCAEMP CC(C)[NH2+]CCC[NH+]1CCC(CC(N)=O)CC1 ZINC000042438698 167102150 /nfs/dbraw/zinc/10/21/50/167102150.db2.gz MQSWSKQVUHPTSF-UHFFFAOYSA-N 2 1 241.379 0.962 10 0 BCAEMP CC(C)[NH2+]C[C@@]1(C[N@H+](C)C[C@@H](C)O)CCOC1 ZINC000051840561 167113555 /nfs/dbraw/zinc/11/35/55/167113555.db2.gz PHBVQTOIUXAVJR-CHWSQXEVSA-N 2 1 244.379 0.704 10 0 BCAEMP CC(C)[NH2+][C@H](CCO)[C@H]1CCCC[NH2+]1 ZINC000095088318 167138021 /nfs/dbraw/zinc/13/80/21/167138021.db2.gz UUASSAQXYVIEGB-GHMZBOCLSA-N 2 1 200.326 0.878 10 0 BCAEMP CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000053245201 167395499 /nfs/dbraw/zinc/39/54/99/167395499.db2.gz QEIPPBKZOVYRGJ-NWDGAFQWSA-N 2 1 241.379 0.770 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000310401875 411236962 /nfs/dbraw/zinc/23/69/62/411236962.db2.gz NHTWAPDLBJGXGA-UHTWSYAYSA-N 2 1 242.363 0.192 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O)C1CC1 ZINC000310401875 411236965 /nfs/dbraw/zinc/23/69/65/411236965.db2.gz NHTWAPDLBJGXGA-UHTWSYAYSA-N 2 1 242.363 0.192 10 0 BCAEMP CC[N@H+]1CCC[C@H](CN2CC[NH2+]CC2)C1 ZINC000082641816 169974860 /nfs/dbraw/zinc/97/48/60/169974860.db2.gz YZGSDAWZARMLHM-LBPRGKRZSA-N 2 1 211.353 0.624 10 0 BCAEMP CC[NH2+]CCC(=O)N1CCC[N@@H+](C)CC1 ZINC000061288321 170112090 /nfs/dbraw/zinc/11/20/90/170112090.db2.gz QBDSGUIWTWRZMT-UHFFFAOYSA-N 2 1 213.325 0.150 10 0 BCAEMP CC[NH2+]C[C@@H]1CCCN1c1[nH+]ccn1C ZINC000053696884 170120328 /nfs/dbraw/zinc/12/03/28/170120328.db2.gz NRGOCULOPWPDOT-JTQLQIEISA-N 2 1 208.309 0.998 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000104132316 170121628 /nfs/dbraw/zinc/12/16/28/170121628.db2.gz GOJYTQUKPSUFMY-NWDGAFQWSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+]C[C@H](O)C[N@H+](C)CCc1ccncc1 ZINC000048259933 170122205 /nfs/dbraw/zinc/12/22/05/170122205.db2.gz XPSBFRVFUILTNH-ZDUSSCGKSA-N 2 1 237.347 0.526 10 0 BCAEMP CC[NH2+]C[C@H](O)C[N@@H+](C)CCc1ccncc1 ZINC000048259933 170122207 /nfs/dbraw/zinc/12/22/07/170122207.db2.gz XPSBFRVFUILTNH-ZDUSSCGKSA-N 2 1 237.347 0.526 10 0 BCAEMP CC[NH2+]C[C@H]1CCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000053031649 170122855 /nfs/dbraw/zinc/12/28/55/170122855.db2.gz WUMDBVRLBJKYOV-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[NH2+][C@@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000062439394 170145134 /nfs/dbraw/zinc/14/51/34/170145134.db2.gz JTUXEBBWONDJIG-TUAOUCFPSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@@H](CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000062439394 170145135 /nfs/dbraw/zinc/14/51/35/170145135.db2.gz JTUXEBBWONDJIG-TUAOUCFPSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189536 170156722 /nfs/dbraw/zinc/15/67/22/170156722.db2.gz HIKGMUSMJYZZND-VXGBXAGGSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2COCCO2)C[C@@H]1C ZINC000049713104 170167572 /nfs/dbraw/zinc/16/75/72/170167572.db2.gz ZNIXMURKOYNMDG-XQQFMLRXSA-N 2 1 242.363 0.722 10 0 BCAEMP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2COCCO2)C[C@@H]1C ZINC000049713104 170167574 /nfs/dbraw/zinc/16/75/74/170167574.db2.gz ZNIXMURKOYNMDG-XQQFMLRXSA-N 2 1 242.363 0.722 10 0 BCAEMP CCOC(=O)N1CCC([NH2+]CC[NH3+])CC1 ZINC000037712850 170239581 /nfs/dbraw/zinc/23/95/81/170239581.db2.gz HJYDKAUKDWTKHS-UHFFFAOYSA-N 2 1 215.297 0.156 10 0 BCAEMP COC[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000313937867 411560300 /nfs/dbraw/zinc/56/03/00/411560300.db2.gz DWODQBVBKGGDOZ-SNVBAGLBSA-N 2 1 211.309 0.977 10 0 BCAEMP c1cc2c(nc[nH+]c2NC[C@@H]2CC[NH2+]C2)[nH]1 ZINC000643025343 411701351 /nfs/dbraw/zinc/70/13/51/411701351.db2.gz HZKQBTVQXRSQIH-MRVPVSSYSA-N 2 1 217.276 0.979 10 0 BCAEMP C[C@@H]1C[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)C[C@@H](C)O1 ZINC000662249429 412047808 /nfs/dbraw/zinc/04/78/08/412047808.db2.gz NKSROFQFLVWHMF-UTUOFQBUSA-N 2 1 240.347 0.617 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261551628 171085865 /nfs/dbraw/zinc/08/58/65/171085865.db2.gz QPYSHSSYWAPYDG-QJPTWQEYSA-N 2 1 212.337 0.689 10 0 BCAEMP CC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037110205 171309482 /nfs/dbraw/zinc/30/94/82/171309482.db2.gz FUAGGCYRBGHIBM-QWRGUYRKSA-N 2 1 227.352 0.537 10 0 BCAEMP CC[C@H](C)N1CC[NH+](C[C@H](O)CC[NH3+])CC1 ZINC000071534302 171319443 /nfs/dbraw/zinc/31/94/43/171319443.db2.gz UHMVEYVRMMAURJ-NWDGAFQWSA-N 2 1 229.368 0.112 10 0 BCAEMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000104140185 171393902 /nfs/dbraw/zinc/39/39/02/171393902.db2.gz MWBOMKYVSLPQHK-SRVKXCTJSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000104140185 171393904 /nfs/dbraw/zinc/39/39/04/171393904.db2.gz MWBOMKYVSLPQHK-SRVKXCTJSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000662460086 412182594 /nfs/dbraw/zinc/18/25/94/412182594.db2.gz PSZASMAIFRHLAU-UTUOFQBUSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCNC1=O ZINC000665229279 412168348 /nfs/dbraw/zinc/16/83/48/412168348.db2.gz UOPOVFSOTBAPJY-IJLUTSLNSA-N 2 1 239.363 0.775 10 0 BCAEMP [NH3+][C@H]1C[C@H](C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000662723458 412284380 /nfs/dbraw/zinc/28/43/80/412284380.db2.gz FTWOWQKZICZVIG-DCAQKATOSA-N 2 1 223.320 0.030 10 0 BCAEMP C[NH2+]CCOCCNc1cc(C)[nH+]c(C)n1 ZINC000630530480 412292158 /nfs/dbraw/zinc/29/21/58/412292158.db2.gz LAENEOPJTUEIPL-UHFFFAOYSA-N 2 1 224.308 0.741 10 0 BCAEMP CCc1[nH+]ccn1[C@H](C[NH3+])c1cnn(C)c1 ZINC000043232936 172030109 /nfs/dbraw/zinc/03/01/09/172030109.db2.gz ICJPDBAJUKEDDE-SNVBAGLBSA-N 2 1 219.292 0.727 10 0 BCAEMP CCc1nn(C)cc1[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C ZINC000083040064 172043675 /nfs/dbraw/zinc/04/36/75/172043675.db2.gz JWTQRFVPBQQKOK-SKDRFNHKSA-N 2 1 222.336 0.934 10 0 BCAEMP CCc1nn(C)cc1[C@H]1[C@@H](C[NH3+])CC[N@H+]1C ZINC000083040065 172044288 /nfs/dbraw/zinc/04/42/88/172044288.db2.gz JWTQRFVPBQQKOK-BXKDBHETSA-N 2 1 222.336 0.934 10 0 BCAEMP CCn1cc[nH+]c1N1CCO[C@H](C[NH3+])C1 ZINC000050607972 172226869 /nfs/dbraw/zinc/22/68/69/172226869.db2.gz JFESNFLRFGSYHF-SECBINFHSA-N 2 1 210.281 0.067 10 0 BCAEMP CN(C)C(=O)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567333 172360579 /nfs/dbraw/zinc/36/05/79/172360579.db2.gz QOUJNBIEOKZDDT-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP CN(C)C(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567333 172360582 /nfs/dbraw/zinc/36/05/82/172360582.db2.gz QOUJNBIEOKZDDT-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042957 172383488 /nfs/dbraw/zinc/38/34/88/172383488.db2.gz BYUGZYAPZVCNAJ-NSHDSACASA-N 2 1 225.336 0.291 10 0 BCAEMP CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042957 172383490 /nfs/dbraw/zinc/38/34/90/172383490.db2.gz BYUGZYAPZVCNAJ-NSHDSACASA-N 2 1 225.336 0.291 10 0 BCAEMP C[N@H+]1CCCN(Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061657868 173015761 /nfs/dbraw/zinc/01/57/61/173015761.db2.gz YKNRRLOUGNMUNW-UHFFFAOYSA-N 2 1 247.346 0.503 10 0 BCAEMP C[N@H+]1CCCN(c2ccc(C[NH3+])nn2)CC1 ZINC000051396527 173016283 /nfs/dbraw/zinc/01/62/83/173016283.db2.gz RZOOJZXISIKIIM-UHFFFAOYSA-N 2 1 221.308 0.077 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CCOc1nccnc1C[NH3+] ZINC000054378731 173028861 /nfs/dbraw/zinc/02/88/61/173028861.db2.gz KXQDWAAJUNGNQS-SNVBAGLBSA-N 2 1 236.319 0.798 10 0 BCAEMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000054243855 173042990 /nfs/dbraw/zinc/04/29/90/173042990.db2.gz YEFRPUMYDXBBLJ-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000054243855 173042993 /nfs/dbraw/zinc/04/29/93/173042993.db2.gz YEFRPUMYDXBBLJ-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP CN([C@H]1CCC[N@@H+](C)C1)[C@]1(C[NH3+])CCN(C)C1 ZINC000061990784 173044211 /nfs/dbraw/zinc/04/42/11/173044211.db2.gz PHGVMXICFKECJK-STQMWFEESA-N 2 1 240.395 0.045 10 0 BCAEMP CN([C@H]1CCC[N@H+](C)C1)[C@]1(C[NH3+])CC[NH+](C)C1 ZINC000061990784 173044213 /nfs/dbraw/zinc/04/42/13/173044213.db2.gz PHGVMXICFKECJK-STQMWFEESA-N 3 1 240.395 0.045 10 0 BCAEMP CN([C@H]1CCC[N@@H+](C)C1)[C@]1(C[NH3+])CC[NH+](C)C1 ZINC000061990784 173044215 /nfs/dbraw/zinc/04/42/15/173044215.db2.gz PHGVMXICFKECJK-STQMWFEESA-N 3 1 240.395 0.045 10 0 BCAEMP CN([C@H]1CCC[NH+](C)C1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990784 173044216 /nfs/dbraw/zinc/04/42/16/173044216.db2.gz PHGVMXICFKECJK-STQMWFEESA-N 3 1 240.395 0.045 10 0 BCAEMP CN([C@H]1CCC[NH+](C)C1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990784 173044218 /nfs/dbraw/zinc/04/42/18/173044218.db2.gz PHGVMXICFKECJK-STQMWFEESA-N 3 1 240.395 0.045 10 0 BCAEMP CN(c1cc(C(N)=[NH2+])ccn1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245512 173044223 /nfs/dbraw/zinc/04/42/23/173044223.db2.gz HJQYFZAUHXNZLW-NSHDSACASA-N 2 1 247.346 0.896 10 0 BCAEMP C[N@H+]1CCC[C@H]1CCOc1nccnc1C[NH3+] ZINC000054378732 173052429 /nfs/dbraw/zinc/05/24/29/173052429.db2.gz KXQDWAAJUNGNQS-JTQLQIEISA-N 2 1 236.319 0.798 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290447 173067900 /nfs/dbraw/zinc/06/79/00/173067900.db2.gz ZSHYBHJXNCEKBY-NSHDSACASA-N 2 1 225.336 0.150 10 0 BCAEMP C[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764269 173080789 /nfs/dbraw/zinc/08/07/89/173080789.db2.gz GNOJHODCYXSCGW-GFCCVEGCSA-N 2 1 211.353 0.766 10 0 BCAEMP C[N@H+]1CCN(CC[NH3+])C[C@@H]1c1ccccc1 ZINC000026466247 173082611 /nfs/dbraw/zinc/08/26/11/173082611.db2.gz WNKNFPCNQVJQPQ-CYBMUJFWSA-N 2 1 219.332 0.934 10 0 BCAEMP C[NH+]1CCN([C@]2(C[NH3+])CCSC2)CC1 ZINC000019435547 173094401 /nfs/dbraw/zinc/09/44/01/173094401.db2.gz SIOKKTXGWGELHH-JTQLQIEISA-N 2 1 215.366 0.068 10 0 BCAEMP CN(CC[C@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190945 173111345 /nfs/dbraw/zinc/11/13/45/173111345.db2.gz NOLDLRLYVOOXEG-PWSUYJOCSA-N 2 1 243.351 0.062 10 0 BCAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1(O)CCOCC1 ZINC000336725226 173111783 /nfs/dbraw/zinc/11/17/83/173111783.db2.gz RFQZYXYTWLHIPE-GFCCVEGCSA-N 2 1 242.363 0.411 10 0 BCAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1(O)CCOCC1 ZINC000336725226 173111785 /nfs/dbraw/zinc/11/17/85/173111785.db2.gz RFQZYXYTWLHIPE-GFCCVEGCSA-N 2 1 242.363 0.411 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000070822452 173112109 /nfs/dbraw/zinc/11/21/09/173112109.db2.gz WVJOJSKHDDFVCR-MNOVXSKESA-N 2 1 225.336 0.149 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CC[NH2+]C1CC1 ZINC000071189770 173113200 /nfs/dbraw/zinc/11/32/00/173113200.db2.gz XBIIVUWTQLTPNK-LLVKDONJSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000042549239 173122377 /nfs/dbraw/zinc/12/23/77/173122377.db2.gz TVDULFDDFNUTKA-SECBINFHSA-N 2 1 211.309 0.078 10 0 BCAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCOCC2(C)C)C1 ZINC000061990476 173136147 /nfs/dbraw/zinc/13/61/47/173136147.db2.gz JJVPONJPKZENIU-LBPRGKRZSA-N 2 1 227.352 0.130 10 0 BCAEMP CN1CC[C@H](C[N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000070822181 173143213 /nfs/dbraw/zinc/14/32/13/173143213.db2.gz SXFLGKYALRYFGT-ZDUSSCGKSA-N 2 1 225.380 0.870 10 0 BCAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC1CC[NH2+]CC1 ZINC000070822181 173143203 /nfs/dbraw/zinc/14/32/03/173143203.db2.gz SXFLGKYALRYFGT-ZDUSSCGKSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1CC[NH2+]CC1 ZINC000070822181 173143206 /nfs/dbraw/zinc/14/32/06/173143206.db2.gz SXFLGKYALRYFGT-ZDUSSCGKSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1CC[NH2+]CC1 ZINC000070822181 173143208 /nfs/dbraw/zinc/14/32/08/173143208.db2.gz SXFLGKYALRYFGT-ZDUSSCGKSA-N 3 1 225.380 0.870 10 0 BCAEMP CN1CC[C@H](C[N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000070822181 173143211 /nfs/dbraw/zinc/14/32/11/173143211.db2.gz SXFLGKYALRYFGT-ZDUSSCGKSA-N 2 1 225.380 0.870 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C1(C[NH3+])CCOCC1 ZINC000071188338 173143543 /nfs/dbraw/zinc/14/35/43/173143543.db2.gz JHAZGSYWBSMPJP-LBPRGKRZSA-N 2 1 241.379 0.378 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660070 173144098 /nfs/dbraw/zinc/14/40/98/173144098.db2.gz YOFKGTRXTLGWHO-STQMWFEESA-N 2 1 225.380 0.870 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000071189693 173144136 /nfs/dbraw/zinc/14/41/36/173144136.db2.gz HHSXPKCNSLCRPE-RYUDHWBXSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000042549064 173149718 /nfs/dbraw/zinc/14/97/18/173149718.db2.gz XJTUVDKDKYZXCD-STQMWFEESA-N 2 1 247.342 0.897 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291463 173150856 /nfs/dbraw/zinc/15/08/56/173150856.db2.gz OPBBGAPCTKVEMG-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP CNC(=O)C1CC[NH+]([C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000042489247 173224549 /nfs/dbraw/zinc/22/45/49/173224549.db2.gz IFBFKMVITOJJLK-GHMZBOCLSA-N 2 1 225.336 0.324 10 0 BCAEMP CNC(=O)CC[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000051757707 173250282 /nfs/dbraw/zinc/25/02/82/173250282.db2.gz NLMHHMMXDTVUMM-UHFFFAOYSA-N 2 1 235.331 0.713 10 0 BCAEMP CNC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037270061 173272604 /nfs/dbraw/zinc/27/26/04/173272604.db2.gz ZYOCCFHCFUCRFC-ZJUUUORDSA-N 2 1 213.325 0.182 10 0 BCAEMP CNC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000037270061 173272607 /nfs/dbraw/zinc/27/26/07/173272607.db2.gz ZYOCCFHCFUCRFC-ZJUUUORDSA-N 2 1 213.325 0.182 10 0 BCAEMP CNC(=O)C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000020047937 173276799 /nfs/dbraw/zinc/27/67/99/173276799.db2.gz QNDNXAVEHTYFFL-LLVKDONJSA-N 2 1 227.352 0.587 10 0 BCAEMP CNC(=O)C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000020047937 173276800 /nfs/dbraw/zinc/27/68/00/173276800.db2.gz QNDNXAVEHTYFFL-LLVKDONJSA-N 2 1 227.352 0.587 10 0 BCAEMP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037224639 173277804 /nfs/dbraw/zinc/27/78/04/173277804.db2.gz ZMPNSWAFDMOSMO-NXEZZACHSA-N 2 1 213.325 0.052 10 0 BCAEMP CNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037224639 173277805 /nfs/dbraw/zinc/27/78/05/173277805.db2.gz ZMPNSWAFDMOSMO-NXEZZACHSA-N 2 1 213.325 0.052 10 0 BCAEMP CNC(=O)[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000042422740 173297716 /nfs/dbraw/zinc/29/77/16/173297716.db2.gz ZQHPLLROWZYIOS-NSHDSACASA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)[C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000042422740 173297717 /nfs/dbraw/zinc/29/77/17/173297717.db2.gz ZQHPLLROWZYIOS-NSHDSACASA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH3+])c1 ZINC000042391588 173298617 /nfs/dbraw/zinc/29/86/17/173298617.db2.gz IZYIVWSOSWKBPR-ZDUSSCGKSA-N 2 1 247.342 0.856 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000061318241 173318638 /nfs/dbraw/zinc/31/86/38/173318638.db2.gz VCESSNMAIXIQMP-SECBINFHSA-N 2 1 213.325 0.195 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000061317329 173318653 /nfs/dbraw/zinc/31/86/53/173318653.db2.gz HCELXNPMFDPIME-SNVBAGLBSA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000193138924 173333007 /nfs/dbraw/zinc/33/30/07/173333007.db2.gz XIQPPPOHBZQSTE-GXTWGEPZSA-N 2 1 247.342 0.767 10 0 BCAEMP C[NH2+]CC1(C[N@H+]2CC[C@H](O)C2)CCCC1 ZINC000061711773 173337435 /nfs/dbraw/zinc/33/74/35/173337435.db2.gz NVMNYWLJWJNQAJ-NSHDSACASA-N 2 1 212.337 0.833 10 0 BCAEMP C[NH2+]CCc1nc2c(s1)C[N@H+](C)CC2 ZINC000053296330 173361119 /nfs/dbraw/zinc/36/11/19/173361119.db2.gz RXGOVSULIGVEKW-UHFFFAOYSA-N 2 1 211.334 0.893 10 0 BCAEMP C[NH2+]CCc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053296330 173361120 /nfs/dbraw/zinc/36/11/20/173361120.db2.gz RXGOVSULIGVEKW-UHFFFAOYSA-N 2 1 211.334 0.893 10 0 BCAEMP C[NH2+]C[C@@]1(C[N@@H+](CCO)C(C)C)CCCOC1 ZINC000104314482 173372917 /nfs/dbraw/zinc/37/29/17/173372917.db2.gz ZDOOBLOUBCRCSX-CYBMUJFWSA-N 2 1 244.379 0.705 10 0 BCAEMP C[NH2+]Cc1ccoc1CN1CC[NH+](C)CC1 ZINC000052379294 173391035 /nfs/dbraw/zinc/39/10/35/173391035.db2.gz GRMSFSHDXXEDCU-UHFFFAOYSA-N 2 1 223.320 0.746 10 0 BCAEMP C[NH2+]Cc1cn(CC[N@@H+](C)CCC(C)C)nn1 ZINC000052545879 173391759 /nfs/dbraw/zinc/39/17/59/173391759.db2.gz GPTYFYSPPHCMTM-UHFFFAOYSA-N 2 1 239.367 0.975 10 0 BCAEMP C[NH2+]Cc1csc(N2CC[NH+](C)CC2)n1 ZINC000062214925 173393738 /nfs/dbraw/zinc/39/37/38/173393738.db2.gz OAOQAGWAQNXQHA-UHFFFAOYSA-N 2 1 226.349 0.614 10 0 BCAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)COC ZINC000042610865 174297949 /nfs/dbraw/zinc/29/79/49/174297949.db2.gz ROVLBPNJMUZBQF-QWHCGFSZSA-N 2 1 244.379 0.969 10 0 BCAEMP COCC[NH2+]CCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000104125942 174332908 /nfs/dbraw/zinc/33/29/08/174332908.db2.gz RQQFOJWERMRGMB-UHFFFAOYSA-N 2 1 243.395 0.639 10 0 BCAEMP COc1cc2c(cc1OC)[C@H](CN)[NH2+]CC2 ZINC000038244922 175025838 /nfs/dbraw/zinc/02/58/38/175025838.db2.gz JAQPKUUNMMRLKX-JTQLQIEISA-N 2 1 222.288 0.849 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000225813769 487630314 /nfs/dbraw/zinc/63/03/14/487630314.db2.gz VORAGBHGQQCSET-CMPLNLGQSA-N 2 1 241.379 0.959 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CCn2cc(C[NH3+])nn2)CC1 ZINC000104362218 176100396 /nfs/dbraw/zinc/10/03/96/176100396.db2.gz ODUAIYNDPPAWJB-LLVKDONJSA-N 2 1 237.351 0.859 10 0 BCAEMP C[C@@H]1CCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275057 176109121 /nfs/dbraw/zinc/10/91/21/176109121.db2.gz NNWHZHYLBZBDFX-GFCCVEGCSA-N 2 1 211.353 0.766 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1CO ZINC000227216452 176172104 /nfs/dbraw/zinc/17/21/04/176172104.db2.gz FLNGXDWUDTUUPW-IJLUTSLNSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042428217 176221944 /nfs/dbraw/zinc/22/19/44/176221944.db2.gz 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228.336 0.210 10 0 BCAEMP FC(F)[C@@H]1CC[NH2+]C2(CC[NH2+]CC2)O1 ZINC000757140402 586427377 /nfs/dbraw/zinc/42/73/77/586427377.db2.gz IZYHNRZJYSWJKK-ZETCQYMHSA-N 2 1 206.236 0.710 10 0 BCAEMP FC(F)[C@H]1CC[NH2+]C2(CC[NH2+]CC2)O1 ZINC000757140394 586427460 /nfs/dbraw/zinc/42/74/60/586427460.db2.gz IZYHNRZJYSWJKK-SSDOTTSWSA-N 2 1 206.236 0.710 10 0 BCAEMP COC[C@H](C[N@@H+]1CC[C@H]1C[NH3+])C(C)C ZINC000757157439 586430357 /nfs/dbraw/zinc/43/03/57/586430357.db2.gz NDJOQNFGYZIDDA-QWRGUYRKSA-N 2 1 200.326 0.938 10 0 BCAEMP COC[C@H](C[N@H+]1CC[C@H]1C[NH3+])C(C)C ZINC000757157439 586430359 /nfs/dbraw/zinc/43/03/59/586430359.db2.gz NDJOQNFGYZIDDA-QWRGUYRKSA-N 2 1 200.326 0.938 10 0 BCAEMP CCOC(=O)[C@@H]1C[NH2+]C[C@]12CCC[N@@H+](C)CC2 ZINC000757184933 586434107 /nfs/dbraw/zinc/43/41/07/586434107.db2.gz PEKLYHMKDQZKTQ-WCQYABFASA-N 2 1 240.347 0.871 10 0 BCAEMP COC(=O)[C@@H]1C[NH2+]CC12C[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000757183712 586434172 /nfs/dbraw/zinc/43/41/72/586434172.db2.gz 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C[C@@H]1C[NH2+][C@H]([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](N)C1 ZINC000757234624 586443366 /nfs/dbraw/zinc/44/33/66/586443366.db2.gz KRVFVTLXTFSUMA-PREPNJAASA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2C[C@@H](C)[C@@H](N)C[NH2+]2)CC[NH2+]1 ZINC000757238610 586444401 /nfs/dbraw/zinc/44/44/01/586444401.db2.gz SXVNDXWZXZVZRZ-JCIQBVFBSA-N 2 1 211.353 0.700 10 0 BCAEMP C([C@@H]1CCCO1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308800710 631667357 /nfs/dbraw/zinc/66/73/57/631667357.db2.gz DNOKQEUHKULXQU-TUAOUCFPSA-N 2 1 210.321 0.707 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@H]12 ZINC000308981356 631779596 /nfs/dbraw/zinc/77/95/96/631779596.db2.gz KMSIRGBNMFBEHH-NOOOWODRSA-N 2 1 210.321 0.835 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@H]12 ZINC000308981357 631779935 /nfs/dbraw/zinc/77/99/35/631779935.db2.gz KMSIRGBNMFBEHH-WISYIIOYSA-N 2 1 210.321 0.835 10 0 BCAEMP CCN(CC)C(=O)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000161552647 632080743 /nfs/dbraw/zinc/08/07/43/632080743.db2.gz AYSRDMZONSYGEE-LLVKDONJSA-N 2 1 227.352 0.587 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310375210 635764772 /nfs/dbraw/zinc/76/47/72/635764772.db2.gz ZLUFMNGAYBAYOT-JHJVBQTASA-N 2 1 242.363 0.456 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000310375210 635764774 /nfs/dbraw/zinc/76/47/74/635764774.db2.gz ZLUFMNGAYBAYOT-JHJVBQTASA-N 2 1 242.363 0.456 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCCO1 ZINC000235262327 632591455 /nfs/dbraw/zinc/59/14/55/632591455.db2.gz SATFSFFNLVYOQL-GRYCIOLGSA-N 2 1 212.337 0.953 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C[NH2+]1 ZINC000086471379 632650445 /nfs/dbraw/zinc/65/04/45/632650445.db2.gz BZJCDDQCDJVIIA-ZJUUUORDSA-N 2 1 235.335 0.729 10 0 BCAEMP C([C@@H]1CCCO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000036091799 640320860 /nfs/dbraw/zinc/32/08/60/640320860.db2.gz YMZQYZGJDWVYSN-RYUDHWBXSA-N 2 1 210.321 0.851 10 0 BCAEMP C[NH2+][C@@](C)(Cn1cc[nH+]c1C(C)C)C(N)=O ZINC000045430600 640557335 /nfs/dbraw/zinc/55/73/35/640557335.db2.gz UTUPGQWEXIWGAH-NSHDSACASA-N 2 1 224.308 0.470 10 0 BCAEMP CCC[NH2+][C@@](C)(Cn1cc[nH+]c1C)C(N)=O ZINC000045433006 640557681 /nfs/dbraw/zinc/55/76/81/640557681.db2.gz DHPGNWOWWSIBDG-NSHDSACASA-N 2 1 224.308 0.435 10 0 BCAEMP CCOC(=O)[C@](C)([NH3+])CCn1cc[nH+]c1C ZINC000045433082 640557884 /nfs/dbraw/zinc/55/78/84/640557884.db2.gz RDLNLPDUDWZQSH-LLVKDONJSA-N 2 1 225.292 0.862 10 0 BCAEMP CCCCOC[C@@H](O)C[N@H+](C)[C@@H](CN)C1CC1 ZINC000227911627 640854185 /nfs/dbraw/zinc/85/41/85/640854185.db2.gz UQJSAVUVXPKOGM-STQMWFEESA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@@H](O)C[N@@H+](C)[C@@H](CN)C1CC1 ZINC000227911627 640854188 /nfs/dbraw/zinc/85/41/88/640854188.db2.gz UQJSAVUVXPKOGM-STQMWFEESA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000227911627 640854191 /nfs/dbraw/zinc/85/41/91/640854191.db2.gz UQJSAVUVXPKOGM-STQMWFEESA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000227911627 640854197 /nfs/dbraw/zinc/85/41/97/640854197.db2.gz UQJSAVUVXPKOGM-STQMWFEESA-N 2 1 244.379 0.833 10 0 BCAEMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000401598982 640967042 /nfs/dbraw/zinc/96/70/42/640967042.db2.gz YGQZMLCAPAZOAJ-FRRDWIJNSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000401598982 640967046 /nfs/dbraw/zinc/96/70/46/640967046.db2.gz YGQZMLCAPAZOAJ-FRRDWIJNSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401598982 640967051 /nfs/dbraw/zinc/96/70/51/640967051.db2.gz YGQZMLCAPAZOAJ-FRRDWIJNSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401598982 640967057 /nfs/dbraw/zinc/96/70/57/640967057.db2.gz YGQZMLCAPAZOAJ-FRRDWIJNSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000401598981 640967209 /nfs/dbraw/zinc/96/72/09/640967209.db2.gz YGQZMLCAPAZOAJ-AGIUHOORSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](O)C1 ZINC000401598981 640967211 /nfs/dbraw/zinc/96/72/11/640967211.db2.gz YGQZMLCAPAZOAJ-AGIUHOORSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401598981 640967213 /nfs/dbraw/zinc/96/72/13/640967213.db2.gz YGQZMLCAPAZOAJ-AGIUHOORSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401598981 640967217 /nfs/dbraw/zinc/96/72/17/640967217.db2.gz YGQZMLCAPAZOAJ-AGIUHOORSA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)c1[nH+]ccn1CC[C@H]([NH3+])C(N)=O ZINC000062534371 641057384 /nfs/dbraw/zinc/05/73/84/641057384.db2.gz IYTWWRWSBCQFCK-QMMMGPOBSA-N 2 1 210.281 0.209 10 0 BCAEMP CC[NH2+][C@H](CCn1cc[nH+]c1CC)C(N)=O ZINC000062537316 641059245 /nfs/dbraw/zinc/05/92/45/641059245.db2.gz PBRSWBKSSQPTNA-SECBINFHSA-N 2 1 224.308 0.299 10 0 BCAEMP C[NH+](C[C@@H](O)C1CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000225551290 641708957 /nfs/dbraw/zinc/70/89/57/641708957.db2.gz ZNXHHDJUJQJXMS-ZYHUDNBSSA-N 2 1 212.337 0.641 10 0 BCAEMP C[N@@H+](C[C@@H](O)C1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000225551290 641708954 /nfs/dbraw/zinc/70/89/54/641708954.db2.gz ZNXHHDJUJQJXMS-ZYHUDNBSSA-N 2 1 212.337 0.641 10 0 BCAEMP C[NH+](C[C@@H](O)C1CC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000225551290 641708961 /nfs/dbraw/zinc/70/89/61/641708961.db2.gz ZNXHHDJUJQJXMS-ZYHUDNBSSA-N 2 1 212.337 0.641 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227454094 642794145 /nfs/dbraw/zinc/79/41/45/642794145.db2.gz SSMHAABMDSFMBX-VWYCJHECSA-N 2 1 225.336 0.419 10 0 BCAEMP CN(C)c1nc(NC[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000082924368 643388638 /nfs/dbraw/zinc/38/86/38/643388638.db2.gz DJWIWYHVRZNRKM-VIFPVBQESA-N 2 1 221.308 0.707 10 0 BCAEMP C[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1C)C(N)=O ZINC000082800223 643524912 /nfs/dbraw/zinc/52/49/12/643524912.db2.gz YCTJIUDWRCLFBC-KWQFWETISA-N 2 1 224.308 0.606 10 0 BCAEMP Cc1[nH+]cn([C@@H](C)C[C@](C)([NH3+])C(N)=O)c1C ZINC000082800571 643526459 /nfs/dbraw/zinc/52/64/59/643526459.db2.gz FRQBHTCMMAKIJY-CPCISQLKSA-N 2 1 224.308 0.654 10 0 BCAEMP C(C[NH2+]C1CC1)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932234 644294479 /nfs/dbraw/zinc/29/44/79/644294479.db2.gz MYGIUWBYEPTLRU-CYBMUJFWSA-N 2 1 223.364 0.909 10 0 BCAEMP OCc1cc(N2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000094463044 644719545 /nfs/dbraw/zinc/71/95/45/644719545.db2.gz PVCFQNPYIXDKHR-CYBMUJFWSA-N 2 1 233.315 0.858 10 0 BCAEMP C[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]1N(C)C ZINC000251713734 644818676 /nfs/dbraw/zinc/81/86/76/644818676.db2.gz JNWWTBULWSJRBE-JHJVBQTASA-N 2 1 225.380 0.868 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229083111 711837574 /nfs/dbraw/zinc/83/75/74/711837574.db2.gz QNBLOKYTRNKZCP-FRRDWIJNSA-N 2 1 244.379 0.689 10 0 BCAEMP CSC1CC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000708272351 712184934 /nfs/dbraw/zinc/18/49/34/712184934.db2.gz AKSVTGOCRGQFCZ-ZYXZCXLHSA-N 2 1 244.404 0.925 10 0 BCAEMP CSC1CC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000708272351 712184935 /nfs/dbraw/zinc/18/49/35/712184935.db2.gz AKSVTGOCRGQFCZ-ZYXZCXLHSA-N 2 1 244.404 0.925 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC3CC3)C[C@@H]12 ZINC000711754969 712324830 /nfs/dbraw/zinc/32/48/30/712324830.db2.gz VIPVFAZZRSKLGV-YUSALJHKSA-N 2 1 210.321 0.835 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723681832 711534030 /nfs/dbraw/zinc/53/40/30/711534030.db2.gz AKPBSRNRAZPHIP-SECBINFHSA-N 2 1 200.282 0.220 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723895811 711543711 /nfs/dbraw/zinc/54/37/11/711543711.db2.gz ZTQUSOLHDWJLQY-UPJWGTAASA-N 2 1 244.379 0.689 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H]1CC[NH3+] ZINC000723914825 711545072 /nfs/dbraw/zinc/54/50/72/711545072.db2.gz GFXJWJNNFJONHO-GHMZBOCLSA-N 2 1 249.362 0.964 10 0 BCAEMP C[NH2+]CCOCC[N@@H+](C)C[C@H]1CCCO1 ZINC000706686972 712152779 /nfs/dbraw/zinc/15/27/79/712152779.db2.gz DXYSPLFAHPUNOS-LLVKDONJSA-N 2 1 216.325 0.333 10 0 BCAEMP COC1CC(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000708081594 712181202 /nfs/dbraw/zinc/18/12/02/712181202.db2.gz DHVCJGQMNRYDOQ-QTAHKJALSA-N 2 1 212.337 0.938 10 0 BCAEMP O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000709844064 712229454 /nfs/dbraw/zinc/22/94/54/712229454.db2.gz DAFHTBWVMVXELF-WYUUTHIRSA-N 2 1 210.321 0.584 10 0 BCAEMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000709844064 712229456 /nfs/dbraw/zinc/22/94/56/712229456.db2.gz DAFHTBWVMVXELF-WYUUTHIRSA-N 2 1 210.321 0.584 10 0 BCAEMP COC(=O)CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713191715 712454211 /nfs/dbraw/zinc/45/42/11/712454211.db2.gz VPAOLLVEPNIUCZ-UHFFFAOYSA-N 2 1 226.320 0.768 10 0 BCAEMP COC(=O)CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713191715 712454213 /nfs/dbraw/zinc/45/42/13/712454213.db2.gz VPAOLLVEPNIUCZ-UHFFFAOYSA-N 2 1 226.320 0.768 10 0 BCAEMP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1N(C)C ZINC000717976444 712734713 /nfs/dbraw/zinc/73/47/13/712734713.db2.gz SBROBHPJTVHNCS-QNWHQSFQSA-N 2 1 225.380 0.996 10 0 BCAEMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CC[NH2+]C1 ZINC000720885179 712874606 /nfs/dbraw/zinc/87/46/06/712874606.db2.gz CWUDJIJBNBSRPB-IJLUTSLNSA-N 2 1 237.347 0.291 10 0 BCAEMP C[NH2+]CC(F)(F)COCCC[NH+](C)C ZINC000685957522 538904947 /nfs/dbraw/zinc/90/49/47/538904947.db2.gz ZXZDZHCPBCFDJQ-UHFFFAOYSA-N 2 1 210.268 0.809 10 0 BCAEMP CC[NH2+]CC(F)(F)COCC[NH+](C)C ZINC000685957666 538904996 /nfs/dbraw/zinc/90/49/96/538904996.db2.gz XKNUGYVYHGVZCZ-UHFFFAOYSA-N 2 1 210.268 0.809 10 0 BCAEMP O[C@@]1(C2C[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306606201 398220692 /nfs/dbraw/zinc/22/06/92/398220692.db2.gz RGCPQEHSBPPBOK-AWEZNQCLSA-N 2 1 232.327 0.843 10 0 BCAEMP FC(F)(F)COCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000309616407 342754309 /nfs/dbraw/zinc/75/43/09/342754309.db2.gz FKHAUJIOEPBIMH-MRVPVSSYSA-N 2 1 226.242 0.907 10 0 BCAEMP C[NH+](C)CC1CN(CC(F)(F)C[NH3+])C1 ZINC000382247188 539008645 /nfs/dbraw/zinc/00/86/45/539008645.db2.gz CURPXQBEOQGJQE-UHFFFAOYSA-N 2 1 207.268 0.074 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](CC)C1CC1 ZINC000167205369 136244537 /nfs/dbraw/zinc/24/45/37/136244537.db2.gz OBRQFLCSTXCIER-LLVKDONJSA-N 2 1 227.352 0.714 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392875367 398335860 /nfs/dbraw/zinc/33/58/60/398335860.db2.gz LPWHTUQGSICXMV-GFCCVEGCSA-N 2 1 239.363 0.738 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843141 187206394 /nfs/dbraw/zinc/20/63/94/187206394.db2.gz AXQFXHSTKYYIAK-NSHDSACASA-N 2 1 227.352 0.524 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000019843141 187206396 /nfs/dbraw/zinc/20/63/96/187206396.db2.gz AXQFXHSTKYYIAK-NSHDSACASA-N 2 1 227.352 0.524 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000246941426 488203904 /nfs/dbraw/zinc/20/39/04/488203904.db2.gz JZBUXOJSWLKEIF-VXGBXAGGSA-N 2 1 239.363 0.587 10 0 BCAEMP CC(=O)N1CCC([NH2+]C2CC[NH+](C)CC2)CC1 ZINC000034996621 343282794 /nfs/dbraw/zinc/28/27/94/343282794.db2.gz VJMIREAOHYBTBN-UHFFFAOYSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019519096 187253079 /nfs/dbraw/zinc/25/30/79/187253079.db2.gz XQIHZTGBNCUOJS-JTQLQIEISA-N 2 1 213.325 0.147 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398125750 488212074 /nfs/dbraw/zinc/21/20/74/488212074.db2.gz SQOQTQYJWNYYLK-JTQLQIEISA-N 2 1 225.336 0.468 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000261542484 136374448 /nfs/dbraw/zinc/37/44/48/136374448.db2.gz ORXCXSAMGKXCPL-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000261542412 136374478 /nfs/dbraw/zinc/37/44/78/136374478.db2.gz CBGBHYJFDANKJN-NWDGAFQWSA-N 2 1 239.363 0.587 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[NH3+] ZINC000086188179 343613144 /nfs/dbraw/zinc/61/31/44/343613144.db2.gz JGAFDSVSMBASFY-JTQLQIEISA-N 2 1 213.325 0.278 10 0 BCAEMP CC(C)N1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052480072 187270994 /nfs/dbraw/zinc/27/09/94/187270994.db2.gz AMGQDYGOPMHGBV-OLZOCXBDSA-N 2 1 241.379 0.519 10 0 BCAEMP CC[N@H+]1C[C@H](C)N(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000335894934 344045265 /nfs/dbraw/zinc/04/52/65/344045265.db2.gz DZGFTYVZMJAFKM-UWVGGRQHSA-N 2 1 225.336 0.147 10 0 BCAEMP C1CCC([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1 ZINC000083255596 187284744 /nfs/dbraw/zinc/28/47/44/187284744.db2.gz XTZYZUOLJIZYLX-CYBMUJFWSA-N 2 1 223.364 0.909 10 0 BCAEMP Cn1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000309347456 347039136 /nfs/dbraw/zinc/03/91/36/347039136.db2.gz MLPDPXHITFJLIP-WCQGTBRESA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000309347456 347039138 /nfs/dbraw/zinc/03/91/38/347039138.db2.gz MLPDPXHITFJLIP-WCQGTBRESA-N 2 1 220.320 0.589 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000600709671 344360646 /nfs/dbraw/zinc/36/06/46/344360646.db2.gz PJVUQBUTIJEKLO-TUAOUCFPSA-N 2 1 240.347 0.999 10 0 BCAEMP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]c(N(C)C)n1 ZINC000385223548 344378338 /nfs/dbraw/zinc/37/83/38/344378338.db2.gz HIMXJLJNLUYUPV-IUCAKERBSA-N 2 1 221.308 0.469 10 0 BCAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]C1CCOCC1)C2 ZINC000381529188 344517894 /nfs/dbraw/zinc/51/78/94/344517894.db2.gz YFKCOXLZHHOSHZ-NSHDSACASA-N 2 1 221.304 0.967 10 0 BCAEMP CC(C)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000104144423 187292027 /nfs/dbraw/zinc/29/20/27/187292027.db2.gz XMUZOXMSMYFRMY-NSHDSACASA-N 2 1 241.379 0.912 10 0 BCAEMP Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)ncn1 ZINC000153144696 344762972 /nfs/dbraw/zinc/76/29/72/344762972.db2.gz LBYUZEWYHBLXRQ-GHMZBOCLSA-N 2 1 234.303 0.304 10 0 BCAEMP Nc1cc[nH+]cc1OCCC[NH+]1CCOCC1 ZINC000118574257 344807247 /nfs/dbraw/zinc/80/72/47/344807247.db2.gz ZCQHLMKYNAQNMC-UHFFFAOYSA-N 2 1 237.303 0.765 10 0 BCAEMP CO[C@@H](C)C[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000224540732 344944829 /nfs/dbraw/zinc/94/48/29/344944829.db2.gz GXTQWJCHSMTNPB-MNOVXSKESA-N 2 1 200.326 0.953 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531152 345345837 /nfs/dbraw/zinc/34/58/37/345345837.db2.gz BZTDUBWZLJFUAX-GHMZBOCLSA-N 2 1 225.336 0.339 10 0 BCAEMP CC[NH+](CC)CCC[NH2+]CC(OC)OC ZINC000082534375 345332202 /nfs/dbraw/zinc/33/22/02/345332202.db2.gz UMYNYEKBVAMHQN-UHFFFAOYSA-N 2 1 218.341 0.927 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251863825 345508238 /nfs/dbraw/zinc/50/82/38/345508238.db2.gz SSMHAABMDSFMBX-AXFHLTTASA-N 2 1 225.336 0.419 10 0 BCAEMP CC(C)[C@@H]1[NH2+]CC[C@@H]1c1nc(C[NH3+])no1 ZINC000381561702 346354600 /nfs/dbraw/zinc/35/46/00/346354600.db2.gz QNKORTJXPNSXCF-CBAPKCEASA-N 2 1 210.281 0.630 10 0 BCAEMP CN(C)[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000641800879 362753408 /nfs/dbraw/zinc/75/34/08/362753408.db2.gz HQTITYNUXGBJND-RYUDHWBXSA-N 2 1 239.363 0.143 10 0 BCAEMP CN(C)[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000641800879 362753414 /nfs/dbraw/zinc/75/34/14/362753414.db2.gz HQTITYNUXGBJND-RYUDHWBXSA-N 2 1 239.363 0.143 10 0 BCAEMP COc1cc([C@H]2CC[NH2+]C[C@H]2[NH3+])ccn1 ZINC000725242461 537987016 /nfs/dbraw/zinc/98/70/16/537987016.db2.gz HUCJNUDMIUAUFR-NXEZZACHSA-N 2 1 207.277 0.494 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1CO ZINC000622005007 370655822 /nfs/dbraw/zinc/65/58/22/370655822.db2.gz XQSIIECZLQIWNZ-JHJVBQTASA-N 2 1 226.364 0.936 10 0 BCAEMP C[C@H]1C[N@@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000641821676 362772488 /nfs/dbraw/zinc/77/24/88/362772488.db2.gz OIHQGSWQWJWLQJ-ONGXEEELSA-N 2 1 208.309 0.479 10 0 BCAEMP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)CCN2C1 ZINC000250636564 362814504 /nfs/dbraw/zinc/81/45/04/362814504.db2.gz AIAVGVUKMQGAHP-UONOGXRCSA-N 2 1 231.343 0.904 10 0 BCAEMP C[C@H]1CN(C[C@H]2CC[N@@H+](C)C2)CCC1=O ZINC000251785702 362918601 /nfs/dbraw/zinc/91/86/01/362918601.db2.gz NECNCRLVFAYQFW-QWRGUYRKSA-N 2 1 210.321 0.849 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@]12C[N@H+](C1CC1)CC[C@@H]2O ZINC000725246349 538006176 /nfs/dbraw/zinc/00/61/76/538006176.db2.gz UWFIATHGHAOWCT-USWWRNFRSA-N 2 1 210.321 0.441 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C ZINC000054071689 348873760 /nfs/dbraw/zinc/87/37/60/348873760.db2.gz VGRAIZYZNVZHKZ-ZJUUUORDSA-N 2 1 213.325 0.195 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000250243153 349168674 /nfs/dbraw/zinc/16/86/74/349168674.db2.gz MYKPOFHKNQWAPD-GRYCIOLGSA-N 2 1 239.363 0.809 10 0 BCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000250517048 349174805 /nfs/dbraw/zinc/17/48/05/349174805.db2.gz QYMNVZNVZHJXCE-NEPJUHHUSA-N 2 1 239.363 0.442 10 0 BCAEMP Cc1nccc(C[N@@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000044995078 180185918 /nfs/dbraw/zinc/18/59/18/180185918.db2.gz CGOPTFHIPPGTKL-SNVBAGLBSA-N 2 1 206.293 0.566 10 0 BCAEMP Cc1nccc(C[N@H+]2CC[C@H](C[NH3+])C2)n1 ZINC000044995078 180185920 /nfs/dbraw/zinc/18/59/20/180185920.db2.gz CGOPTFHIPPGTKL-SNVBAGLBSA-N 2 1 206.293 0.566 10 0 BCAEMP Cc1[nH+]ccn1CCN1CCC[C@H]([NH3+])C1 ZINC000049331266 180250244 /nfs/dbraw/zinc/25/02/44/180250244.db2.gz CGEYIZMIRKDZGN-NSHDSACASA-N 2 1 208.309 0.615 10 0 BCAEMP Cc1[nH+]ccn1CC[NH2+]CCc1nncn1C ZINC000104054933 180260749 /nfs/dbraw/zinc/26/07/49/180260749.db2.gz KAYKYEJVZIVEJO-UHFFFAOYSA-N 2 1 234.307 0.152 10 0 BCAEMP C[N@@H+](CC(C)(C)O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223193026 350267667 /nfs/dbraw/zinc/26/76/67/350267667.db2.gz ORSPANBCCKKCEW-NXEZZACHSA-N 2 1 200.326 0.959 10 0 BCAEMP Cc1[nH+]ccn1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402380 180269262 /nfs/dbraw/zinc/26/92/62/180269262.db2.gz RVKKGVHLUIXUDU-UHFFFAOYSA-N 2 1 221.264 0.817 10 0 BCAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000043232526 180271427 /nfs/dbraw/zinc/27/14/27/180271427.db2.gz RTVUOFZAWVFFAU-JTQLQIEISA-N 2 1 205.265 0.473 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000038040594 350303023 /nfs/dbraw/zinc/30/30/23/350303023.db2.gz FGUSXVBFIJQULC-GFCCVEGCSA-N 2 1 211.353 0.812 10 0 BCAEMP C[C@@H]1C[NH2+]CCC[N@H+](CC[S@@](C)=O)C1 ZINC000229272906 350571061 /nfs/dbraw/zinc/57/10/61/350571061.db2.gz CJQUGCOSVXCBLG-QMTHXVAHSA-N 2 1 218.366 0.296 10 0 BCAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC[S@@](C)=O)C1 ZINC000229272906 350571064 /nfs/dbraw/zinc/57/10/64/350571064.db2.gz CJQUGCOSVXCBLG-QMTHXVAHSA-N 2 1 218.366 0.296 10 0 BCAEMP OC[C@@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306761909 350987772 /nfs/dbraw/zinc/98/77/72/350987772.db2.gz GHZDSTSBLWNSOD-KBPBESRZSA-N 2 1 232.327 0.700 10 0 BCAEMP OC[C@@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306761909 350987773 /nfs/dbraw/zinc/98/77/73/350987773.db2.gz GHZDSTSBLWNSOD-KBPBESRZSA-N 2 1 232.327 0.700 10 0 BCAEMP CC(C)[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079512009 351067766 /nfs/dbraw/zinc/06/77/66/351067766.db2.gz KMANFFHFQJILDA-CYBMUJFWSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079519348 351071224 /nfs/dbraw/zinc/07/12/24/351071224.db2.gz QLNVQEHFLSINAV-AAEUAGOBSA-N 2 1 239.363 0.729 10 0 BCAEMP C[N@@H+]1CC=C(CC2CC(C[NH3+])(CO)C2)CC1 ZINC000606302539 351553469 /nfs/dbraw/zinc/55/34/69/351553469.db2.gz OVTBIABDZAXHTQ-UHFFFAOYSA-N 2 1 224.348 0.986 10 0 BCAEMP C[C@@H]1[C@H](O)CCC[N@H+]1CCC(C)(C)[NH3+] ZINC000307253100 351784046 /nfs/dbraw/zinc/78/40/46/351784046.db2.gz UOKXGJFQULGEHT-NXEZZACHSA-N 2 1 200.326 0.959 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[NH3+] ZINC000083889419 352050310 /nfs/dbraw/zinc/05/03/10/352050310.db2.gz RTPNTKDUAHJUPZ-JTQLQIEISA-N 2 1 227.352 0.666 10 0 BCAEMP C[C@H]1C[N@H+](C2CCC3(C[C@H]3[NH3+])CC2)CCN1 ZINC000725270246 538102765 /nfs/dbraw/zinc/10/27/65/538102765.db2.gz JQHAZEUBACDQIM-GMKTYKIGSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@H]1CN(C2CCC3(C[C@H]3[NH3+])CC2)CC[NH2+]1 ZINC000725270246 538102768 /nfs/dbraw/zinc/10/27/68/538102768.db2.gz JQHAZEUBACDQIM-GMKTYKIGSA-N 2 1 223.364 0.940 10 0 BCAEMP CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245680 187707174 /nfs/dbraw/zinc/70/71/74/187707174.db2.gz BMHQVUAVPLBQJS-VXGBXAGGSA-N 2 1 239.363 0.539 10 0 BCAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@@H+]1CCC[C@H](CO)C1 ZINC000725273872 538104910 /nfs/dbraw/zinc/10/49/10/538104910.db2.gz OTEYRQCLZLUFMP-YNEHKIRRSA-N 2 1 242.363 0.267 10 0 BCAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@H+]1CCC[C@H](CO)C1 ZINC000725273872 538104911 /nfs/dbraw/zinc/10/49/11/538104911.db2.gz OTEYRQCLZLUFMP-YNEHKIRRSA-N 2 1 242.363 0.267 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055088197 188048855 /nfs/dbraw/zinc/04/88/55/188048855.db2.gz OWPROAMLTAFOCU-NEPJUHHUSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165319909 353299203 /nfs/dbraw/zinc/29/92/03/353299203.db2.gz QYJXSVYPDDOODI-NEPJUHHUSA-N 2 1 241.379 0.914 10 0 BCAEMP CC(C)[N@@H+](C)[C@@H]1CC[C@H]([NH3+])[C@H](CO)C1 ZINC000039111272 188290890 /nfs/dbraw/zinc/29/08/90/188290890.db2.gz KFMLWAUDOPLQID-AXFHLTTASA-N 2 1 200.326 0.815 10 0 BCAEMP C[NH+]1CCC(OC(=O)[C@H]([NH3+])C(C)(C)C)CC1 ZINC000041019065 188292499 /nfs/dbraw/zinc/29/24/99/188292499.db2.gz ZVBUVXXRKDSGKT-JTQLQIEISA-N 2 1 228.336 0.997 10 0 BCAEMP CC(C)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000044752143 188296726 /nfs/dbraw/zinc/29/67/26/188296726.db2.gz GJXXSTVPUMPWKN-NXEZZACHSA-N 2 1 225.336 0.324 10 0 BCAEMP CN(C(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053244710 188300628 /nfs/dbraw/zinc/30/06/28/188300628.db2.gz RJALPXFZQCXUTG-LLVKDONJSA-N 2 1 240.351 0.038 10 0 BCAEMP C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH3+])[C@@H]1C ZINC000223238398 353384807 /nfs/dbraw/zinc/38/48/07/353384807.db2.gz OOHBNOFBRXDFOA-MXWKQRLJSA-N 2 1 200.326 0.817 10 0 BCAEMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000230896542 353551035 /nfs/dbraw/zinc/55/10/35/353551035.db2.gz JSDYCLKLWISTJC-DGCLKSJQSA-N 2 1 239.363 0.444 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115830 353551572 /nfs/dbraw/zinc/55/15/72/353551572.db2.gz UETQVLXZCHWPDN-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1C[C@H](C)C[N@H+](C[C@@](C)(O)C[NH3+])C1 ZINC000223295757 353741653 /nfs/dbraw/zinc/74/16/53/353741653.db2.gz XHWYVCOZYBIDKT-AXFHLTTASA-N 2 1 200.326 0.674 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000220044173 353817113 /nfs/dbraw/zinc/81/71/13/353817113.db2.gz RCBFXEZXCMVKHD-VXGBXAGGSA-N 2 1 241.379 0.690 10 0 BCAEMP CCOC[C@H]([NH2+][C@H]1CC[NH2+]C1)C(C)C ZINC000233792985 363408640 /nfs/dbraw/zinc/40/86/40/363408640.db2.gz NRDXDGWEGLPNNV-QWRGUYRKSA-N 2 1 200.326 0.999 10 0 BCAEMP C[C@H](C[NH+](C)C)OC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000584658874 491070666 /nfs/dbraw/zinc/07/06/66/491070666.db2.gz NHMTZOYNATXMIC-GHMZBOCLSA-N 2 1 228.336 0.822 10 0 BCAEMP NC(=[NH2+])c1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000042479687 181194046 /nfs/dbraw/zinc/19/40/46/181194046.db2.gz ABLAXMKBPAQLCY-UHFFFAOYSA-N 2 1 233.315 0.927 10 0 BCAEMP NC(=[NH2+])c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000042432925 181194319 /nfs/dbraw/zinc/19/43/19/181194319.db2.gz BWGMMUPLQCOENP-GFCCVEGCSA-N 2 1 233.315 0.927 10 0 BCAEMP NC(=[NH2+])c1ccccc1C[N@@H+](CCO)C1CC1 ZINC000042479685 181196408 /nfs/dbraw/zinc/19/64/08/181196408.db2.gz JZCHOABHVZAWFD-UHFFFAOYSA-N 2 1 233.315 0.927 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000042438607 181219649 /nfs/dbraw/zinc/21/96/49/181219649.db2.gz NSRVSEUKXSBQSG-VXGBXAGGSA-N 2 1 239.363 0.844 10 0 BCAEMP NC(=O)C[N@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC000037470319 181229928 /nfs/dbraw/zinc/22/99/28/181229928.db2.gz VBYSUHIVEKFUSG-UHFFFAOYSA-N 2 1 225.336 0.468 10 0 BCAEMP NC(=O)C[N@@H+](C1CCCC1)C1CC[NH2+]CC1 ZINC000037470319 181229929 /nfs/dbraw/zinc/22/99/29/181229929.db2.gz VBYSUHIVEKFUSG-UHFFFAOYSA-N 2 1 225.336 0.468 10 0 BCAEMP CC[NH+]1CCN(c2cc(C)[nH+]c(NN)n2)CC1 ZINC000087897053 356225859 /nfs/dbraw/zinc/22/58/59/356225859.db2.gz WJMDHTVWYBKNGL-UHFFFAOYSA-N 2 1 236.323 0.213 10 0 BCAEMP NC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]2)C1 ZINC000043493873 181281279 /nfs/dbraw/zinc/28/12/79/181281279.db2.gz LXYPQRVENGFMSK-WDEREUQCSA-N 2 1 225.336 0.326 10 0 BCAEMP NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]2)C1 ZINC000043493873 181281280 /nfs/dbraw/zinc/28/12/80/181281280.db2.gz LXYPQRVENGFMSK-WDEREUQCSA-N 2 1 225.336 0.326 10 0 BCAEMP CN(C)[C@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000091430862 538593502 /nfs/dbraw/zinc/59/35/02/538593502.db2.gz MZESZVFYAGIAOX-XQQFMLRXSA-N 2 1 241.379 0.519 10 0 BCAEMP CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000091430862 538593509 /nfs/dbraw/zinc/59/35/09/538593509.db2.gz MZESZVFYAGIAOX-XQQFMLRXSA-N 2 1 241.379 0.519 10 0 BCAEMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000390158061 357085278 /nfs/dbraw/zinc/08/52/78/357085278.db2.gz XVXKSTAFSJFRRU-RCWTZXSCSA-N 2 1 225.336 0.132 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCCOCC1 ZINC000685950473 538894132 /nfs/dbraw/zinc/89/41/32/538894132.db2.gz AACLQRIMKWHEEC-GDNZZTSVSA-N 2 1 212.337 0.953 10 0 BCAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@@H+]1CCOC[C@@H]1C ZINC000685951428 538895594 /nfs/dbraw/zinc/89/55/94/538895594.db2.gz UHFROZQLOFAVNB-DCAQKATOSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@H]1C[NH2+]C[C@H](C)C1[N@H+]1CCOC[C@@H]1C ZINC000685951428 538895596 /nfs/dbraw/zinc/89/55/96/538895596.db2.gz UHFROZQLOFAVNB-DCAQKATOSA-N 2 1 212.337 0.951 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)C[NH3+] ZINC000086188183 357872604 /nfs/dbraw/zinc/87/26/04/357872604.db2.gz DKAVEMUYUGDQDG-QWRGUYRKSA-N 2 1 227.352 0.524 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH2+]C ZINC000220010535 358023959 /nfs/dbraw/zinc/02/39/59/358023959.db2.gz HGLDKOLJBPSJOQ-SNVBAGLBSA-N 2 1 215.341 0.442 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882462 358055942 /nfs/dbraw/zinc/05/59/42/358055942.db2.gz XFFAZMUCYDEWBM-GRYCIOLGSA-N 2 1 239.363 0.537 10 0 BCAEMP C(CN1CCCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000168709469 134246476 /nfs/dbraw/zinc/24/64/76/134246476.db2.gz TZJZWPDLXIEFGV-LBPRGKRZSA-N 2 1 211.353 0.814 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000226078760 358334027 /nfs/dbraw/zinc/33/40/27/358334027.db2.gz KYBVWTNPPOJMBL-RYUDHWBXSA-N 2 1 239.363 0.587 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227077981 358348079 /nfs/dbraw/zinc/34/80/79/358348079.db2.gz HWUWKFLGSUPHLN-WCQYABFASA-N 2 1 239.363 0.729 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227066770 358348366 /nfs/dbraw/zinc/34/83/66/358348366.db2.gz LYCVJZGZMNNGCT-DTWKUNHWSA-N 2 1 200.282 0.219 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227432909 358357824 /nfs/dbraw/zinc/35/78/24/358357824.db2.gz ZYHYFQYIDQNXQI-WCQYABFASA-N 2 1 241.379 0.975 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227800968 358363678 /nfs/dbraw/zinc/36/36/78/358363678.db2.gz ANOQWTQHSQDAED-IJLUTSLNSA-N 2 1 239.363 0.572 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000020217834 491145788 /nfs/dbraw/zinc/14/57/88/491145788.db2.gz SVKRUPQNPAUGIM-LLVKDONJSA-N 2 1 227.352 0.524 10 0 BCAEMP C[N@H+]1CC[C@@H](Oc2ncc(C[NH3+])s2)C1 ZINC000306500362 360267488 /nfs/dbraw/zinc/26/74/88/360267488.db2.gz NFCKIAUSEAHOKX-SSDOTTSWSA-N 2 1 213.306 0.685 10 0 BCAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1C[C@H](O)C[C@@H]1C ZINC000306514877 360338036 /nfs/dbraw/zinc/33/80/36/360338036.db2.gz BKYDNJJMIJQODY-UKKRHICBSA-N 2 1 200.326 0.957 10 0 BCAEMP COC[C@@H](C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309501506 491150456 /nfs/dbraw/zinc/15/04/56/491150456.db2.gz ZWDLFNVEOFXFSA-NSHDSACASA-N 2 1 230.352 0.315 10 0 BCAEMP COCCCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630357204 364079144 /nfs/dbraw/zinc/07/91/44/364079144.db2.gz CPHZRQBPORIQQC-NWDGAFQWSA-N 2 1 230.352 0.851 10 0 BCAEMP COCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630357204 364079149 /nfs/dbraw/zinc/07/91/49/364079149.db2.gz CPHZRQBPORIQQC-NWDGAFQWSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361269 364081000 /nfs/dbraw/zinc/08/10/00/364081000.db2.gz IMASVPYNUWXRAV-RYUDHWBXSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361269 364081004 /nfs/dbraw/zinc/08/10/04/364081004.db2.gz IMASVPYNUWXRAV-RYUDHWBXSA-N 2 1 230.352 0.851 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H](O)C2)CCCC1 ZINC000051257078 181359212 /nfs/dbraw/zinc/35/92/12/181359212.db2.gz MBZGEFFMEGOQNG-LLVKDONJSA-N 2 1 212.337 0.962 10 0 BCAEMP [NH3+]CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000037001724 181372555 /nfs/dbraw/zinc/37/25/55/181372555.db2.gz MIBZXXJYLLRKQB-VHSXEESVSA-N 2 1 211.309 0.078 10 0 BCAEMP [NH3+]CCCCCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812600 181373368 /nfs/dbraw/zinc/37/33/68/181373368.db2.gz ICHGEAIHBNLUQE-LBPRGKRZSA-N 2 1 239.363 0.812 10 0 BCAEMP [NH3+]CCCCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812599 181373503 /nfs/dbraw/zinc/37/35/03/181373503.db2.gz ICHGEAIHBNLUQE-GFCCVEGCSA-N 2 1 239.363 0.812 10 0 BCAEMP CN1CCC([N@@H+](C)C[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000675053020 541430792 /nfs/dbraw/zinc/43/07/92/541430792.db2.gz DOWNZCSWGHLRFX-XYPYZODXSA-N 2 1 211.353 0.750 10 0 BCAEMP C[N@H+](C[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000675053020 541430798 /nfs/dbraw/zinc/43/07/98/541430798.db2.gz DOWNZCSWGHLRFX-XYPYZODXSA-N 3 1 211.353 0.750 10 0 BCAEMP C[N@@H+](C[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000675053020 541430803 /nfs/dbraw/zinc/43/08/03/541430803.db2.gz DOWNZCSWGHLRFX-XYPYZODXSA-N 3 1 211.353 0.750 10 0 BCAEMP COC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000669384997 541438591 /nfs/dbraw/zinc/43/85/91/541438591.db2.gz RTUDUEHPFGTNCA-HLTSFMKQSA-N 2 1 200.282 0.265 10 0 BCAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCC(=O)NC1CC1 ZINC000104319683 181385478 /nfs/dbraw/zinc/38/54/78/181385478.db2.gz JVTIDBRKBWSHGU-GFCCVEGCSA-N 2 1 239.363 0.858 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CS1 ZINC000399082630 365394916 /nfs/dbraw/zinc/39/49/16/365394916.db2.gz SLUPWCNEJDOSEM-CMPLNLGQSA-N 2 1 244.404 0.927 10 0 BCAEMP COC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000382200419 367498074 /nfs/dbraw/zinc/49/80/74/367498074.db2.gz DYAFPJFSRVMYIQ-KXNHARMFSA-N 2 1 212.337 0.938 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CC[NH+](C)C1 ZINC000383597143 367642362 /nfs/dbraw/zinc/64/23/62/367642362.db2.gz PKFGGVIJVANYKC-CHWSQXEVSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000383597143 367642367 /nfs/dbraw/zinc/64/23/67/367642367.db2.gz PKFGGVIJVANYKC-CHWSQXEVSA-N 2 1 243.395 0.183 10 0 BCAEMP CC[NH+](C)C[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000383597143 367642374 /nfs/dbraw/zinc/64/23/74/367642374.db2.gz PKFGGVIJVANYKC-CHWSQXEVSA-N 2 1 243.395 0.183 10 0 BCAEMP C[C@H](NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492989 367981755 /nfs/dbraw/zinc/98/17/55/367981755.db2.gz URLAFSQEUDZZST-XQQFMLRXSA-N 2 1 241.379 0.437 10 0 BCAEMP C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000386492989 367981759 /nfs/dbraw/zinc/98/17/59/367981759.db2.gz URLAFSQEUDZZST-XQQFMLRXSA-N 2 1 241.379 0.437 10 0 BCAEMP O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623766632 369029569 /nfs/dbraw/zinc/02/95/69/369029569.db2.gz JLUAMZFODFUSIP-QNWHQSFQSA-N 2 1 240.347 0.353 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404427851 369429461 /nfs/dbraw/zinc/42/94/61/369429461.db2.gz MVQPTKPUMXCTKJ-QWRGUYRKSA-N 2 1 228.336 0.999 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404427849 369429628 /nfs/dbraw/zinc/42/96/28/369429628.db2.gz MVQPTKPUMXCTKJ-MNOVXSKESA-N 2 1 228.336 0.999 10 0 BCAEMP Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000631823729 372601832 /nfs/dbraw/zinc/60/18/32/372601832.db2.gz MNBIRPMPMLKKFQ-TUAOUCFPSA-N 2 1 232.331 0.954 10 0 BCAEMP Cc1nccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000631823729 372601839 /nfs/dbraw/zinc/60/18/39/372601839.db2.gz MNBIRPMPMLKKFQ-TUAOUCFPSA-N 2 1 232.331 0.954 10 0 BCAEMP C[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000631836849 372625384 /nfs/dbraw/zinc/62/53/84/372625384.db2.gz HYKRDTOHVAYECA-ZJUUUORDSA-N 2 1 208.309 0.447 10 0 BCAEMP C[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1C[NH3+] ZINC000631836849 372625389 /nfs/dbraw/zinc/62/53/89/372625389.db2.gz HYKRDTOHVAYECA-ZJUUUORDSA-N 2 1 208.309 0.447 10 0 BCAEMP COCCCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840038 372635845 /nfs/dbraw/zinc/63/58/45/372635845.db2.gz OUYJDRLELVIVHW-QWRGUYRKSA-N 2 1 200.326 0.940 10 0 BCAEMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840390 372636472 /nfs/dbraw/zinc/63/64/72/372636472.db2.gz BVACNBHYYYBLEB-SRVKXCTJSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840390 372636478 /nfs/dbraw/zinc/63/64/78/372636478.db2.gz BVACNBHYYYBLEB-SRVKXCTJSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840391 372636508 /nfs/dbraw/zinc/63/65/08/372636508.db2.gz BVACNBHYYYBLEB-WOPDTQHZSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840391 372636514 /nfs/dbraw/zinc/63/65/14/372636514.db2.gz BVACNBHYYYBLEB-WOPDTQHZSA-N 2 1 241.379 0.674 10 0 BCAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cn[nH]c1)C2 ZINC000381505550 374126567 /nfs/dbraw/zinc/12/65/67/374126567.db2.gz PWCWJFIAGFNTOC-SNVBAGLBSA-N 2 1 217.276 0.711 10 0 BCAEMP O[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000034122516 183207865 /nfs/dbraw/zinc/20/78/65/183207865.db2.gz AHEIGAOSXRVHSH-NWDGAFQWSA-N 2 1 206.289 0.499 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000019479844 169201310 /nfs/dbraw/zinc/20/13/10/169201310.db2.gz AFNFUCNMSVFQKK-LLVKDONJSA-N 2 1 227.352 0.524 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054071722 169201550 /nfs/dbraw/zinc/20/15/50/169201550.db2.gz UDDFEJBTKTVRBS-SNVBAGLBSA-N 2 1 213.325 0.149 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000019518824 169201741 /nfs/dbraw/zinc/20/17/41/169201741.db2.gz KEXPMSKVUMWCHA-NWDGAFQWSA-N 2 1 241.379 0.914 10 0 BCAEMP CCC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000072417549 169257171 /nfs/dbraw/zinc/25/71/71/169257171.db2.gz RZTJEDBKWMAYRT-UHFFFAOYSA-N 2 1 213.325 0.150 10 0 BCAEMP CCC[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](C)C(N)=O ZINC000104427979 169262207 /nfs/dbraw/zinc/26/22/07/169262207.db2.gz AEHWSDPZYWATQY-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](C)C(N)=O ZINC000104427979 169262208 /nfs/dbraw/zinc/26/22/08/169262208.db2.gz AEHWSDPZYWATQY-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCNC(=O)[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000038040998 169242712 /nfs/dbraw/zinc/24/27/12/169242712.db2.gz GKZCKIFSNSGAIE-SECBINFHSA-N 2 1 213.325 0.243 10 0 BCAEMP CCC[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC000042421767 169262734 /nfs/dbraw/zinc/26/27/34/169262734.db2.gz PDSCRCFEIIPJMP-OLZOCXBDSA-N 2 1 244.379 0.848 10 0 BCAEMP CCC[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](OCC)C1 ZINC000042421767 169262736 /nfs/dbraw/zinc/26/27/36/169262736.db2.gz PDSCRCFEIIPJMP-OLZOCXBDSA-N 2 1 244.379 0.848 10 0 BCAEMP c1ccc(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc1 ZINC000083074418 183397674 /nfs/dbraw/zinc/39/76/74/183397674.db2.gz DVTRFWPRIGWXAL-UHFFFAOYSA-N 2 1 231.343 0.776 10 0 BCAEMP CCCO[C@H]1CCC[N@H+](C[C@H](O)C[NH2+]CC)C1 ZINC000042421753 169312674 /nfs/dbraw/zinc/31/26/74/169312674.db2.gz KBIMVBKAHNCXFV-OLZOCXBDSA-N 2 1 244.379 0.848 10 0 BCAEMP CCCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH2+]CC)C1 ZINC000042421753 169312675 /nfs/dbraw/zinc/31/26/75/169312675.db2.gz KBIMVBKAHNCXFV-OLZOCXBDSA-N 2 1 244.379 0.848 10 0 BCAEMP CCC[C@@H](C[NH3+])CCC(=O)N1CC[NH+](C)CC1 ZINC000076624068 169383486 /nfs/dbraw/zinc/38/34/86/169383486.db2.gz ILHWQGILLIAOAI-GFCCVEGCSA-N 2 1 241.379 0.916 10 0 BCAEMP O=C([C@H]1CC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335401741 384266058 /nfs/dbraw/zinc/26/60/58/384266058.db2.gz WXCJRKUNDBUZDK-WDEREUQCSA-N 2 1 223.320 0.045 10 0 BCAEMP O=C([C@H]1CC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335401741 384266062 /nfs/dbraw/zinc/26/60/62/384266062.db2.gz WXCJRKUNDBUZDK-WDEREUQCSA-N 2 1 223.320 0.045 10 0 BCAEMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000401986246 384372642 /nfs/dbraw/zinc/37/26/42/384372642.db2.gz BZEMZVFYDDCBNN-JQWIXIFHSA-N 2 1 228.336 0.210 10 0 BCAEMP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000069839516 384386783 /nfs/dbraw/zinc/38/67/83/384386783.db2.gz KJWHFDUZICYSGN-GHMZBOCLSA-N 2 1 225.336 0.420 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000236808700 384575949 /nfs/dbraw/zinc/57/59/49/384575949.db2.gz SDNZCQQHRMPHDH-RYUDHWBXSA-N 2 1 241.379 0.914 10 0 BCAEMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000100279343 384631979 /nfs/dbraw/zinc/63/19/79/384631979.db2.gz RRDGDEYDSHWRTM-STQMWFEESA-N 2 1 220.316 0.828 10 0 BCAEMP [NH3+][C@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335919107 384703836 /nfs/dbraw/zinc/70/38/36/384703836.db2.gz HJXJOSAXJQFDLF-RKDXNWHRSA-N 2 1 247.289 0.276 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000054076056 384731100 /nfs/dbraw/zinc/73/11/00/384731100.db2.gz CAVNVERAWKZOCL-MNOVXSKESA-N 2 1 227.352 0.441 10 0 BCAEMP COC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375876890 384827411 /nfs/dbraw/zinc/82/74/11/384827411.db2.gz REMXPJPDNBSESZ-NXEZZACHSA-N 2 1 209.293 0.822 10 0 BCAEMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CCO)C1)C1CC1 ZINC000310449587 385072096 /nfs/dbraw/zinc/07/20/96/385072096.db2.gz RYWYIQZVFOHBOY-YPMHNXCESA-N 2 1 242.363 0.146 10 0 BCAEMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CCO)C1)C1CC1 ZINC000310449587 385072103 /nfs/dbraw/zinc/07/21/03/385072103.db2.gz RYWYIQZVFOHBOY-YPMHNXCESA-N 2 1 242.363 0.146 10 0 BCAEMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CCO)C1)C1CC1 ZINC000310449587 385072108 /nfs/dbraw/zinc/07/21/08/385072108.db2.gz RYWYIQZVFOHBOY-YPMHNXCESA-N 2 1 242.363 0.146 10 0 BCAEMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CCO)C1)C1CC1 ZINC000310449587 385072115 /nfs/dbraw/zinc/07/21/15/385072115.db2.gz RYWYIQZVFOHBOY-YPMHNXCESA-N 2 1 242.363 0.146 10 0 BCAEMP Cn1nccc1[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C ZINC000164782531 385040111 /nfs/dbraw/zinc/04/01/11/385040111.db2.gz FLZFBJPUNPHGCU-ONGXEEELSA-N 2 1 208.309 0.762 10 0 BCAEMP Cn1nccc1[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C ZINC000164782531 385040117 /nfs/dbraw/zinc/04/01/17/385040117.db2.gz FLZFBJPUNPHGCU-ONGXEEELSA-N 2 1 208.309 0.762 10 0 BCAEMP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456245 385144552 /nfs/dbraw/zinc/14/45/52/385144552.db2.gz GVLQFSAJSFQBJI-SRVKXCTJSA-N 2 1 239.363 0.809 10 0 BCAEMP COC(=O)CN1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178284021 385350357 /nfs/dbraw/zinc/35/03/57/385350357.db2.gz VMEOJMBQMWCGAX-LLVKDONJSA-N 2 1 237.303 0.829 10 0 BCAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCO)C1 ZINC000195288863 385465676 /nfs/dbraw/zinc/46/56/76/385465676.db2.gz UYERGMURHLHNIZ-AWEZNQCLSA-N 2 1 249.358 0.828 10 0 BCAEMP CC[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](C)[C@H](C)C1 ZINC000157179024 385490620 /nfs/dbraw/zinc/49/06/20/385490620.db2.gz WELBDZNRTLDYSS-GMTAPVOTSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309454707 385593945 /nfs/dbraw/zinc/59/39/45/385593945.db2.gz QQNUBSUUHICSOG-ZMLRMANQSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309454707 385593949 /nfs/dbraw/zinc/59/39/49/385593949.db2.gz QQNUBSUUHICSOG-ZMLRMANQSA-N 2 1 228.336 0.209 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000054076742 385595014 /nfs/dbraw/zinc/59/50/14/385595014.db2.gz XACGCHKTCMXVMR-ZJUUUORDSA-N 2 1 213.325 0.052 10 0 BCAEMP COC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063196042 385612041 /nfs/dbraw/zinc/61/20/41/385612041.db2.gz KLCXGOYCBMFACY-UWVGGRQHSA-N 2 1 214.309 0.751 10 0 BCAEMP COC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063196042 385612044 /nfs/dbraw/zinc/61/20/44/385612044.db2.gz KLCXGOYCBMFACY-UWVGGRQHSA-N 2 1 214.309 0.751 10 0 BCAEMP CCc1nc(N(C)CCOCC[NH3+])cc(C)[nH+]1 ZINC000310277585 386172711 /nfs/dbraw/zinc/17/27/11/386172711.db2.gz UZYRPROEVSBZDO-UHFFFAOYSA-N 2 1 238.335 0.759 10 0 BCAEMP Cn1nccc1CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310403583 386178884 /nfs/dbraw/zinc/17/88/84/386178884.db2.gz LELRWTNDILWMMS-CYZMBNFOSA-N 2 1 234.347 0.632 10 0 BCAEMP CN(C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21)C1CC1 ZINC000336647917 386257265 /nfs/dbraw/zinc/25/72/65/386257265.db2.gz FXBNQJIZTMIAOK-DRZSPHRISA-N 2 1 224.348 0.926 10 0 BCAEMP CN(C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]21)C1CC1 ZINC000336647917 386257267 /nfs/dbraw/zinc/25/72/67/386257267.db2.gz FXBNQJIZTMIAOK-DRZSPHRISA-N 2 1 224.348 0.926 10 0 BCAEMP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094459743 386454824 /nfs/dbraw/zinc/45/48/24/386454824.db2.gz BNWBCLOOZVWAIW-IJLUTSLNSA-N 2 1 239.363 0.665 10 0 BCAEMP Cc1c[nH]nc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000414799108 386577659 /nfs/dbraw/zinc/57/76/59/386577659.db2.gz JNSQCBTXWTXYHF-ZJUUUORDSA-N 2 1 208.309 0.935 10 0 BCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000250795158 387122136 /nfs/dbraw/zinc/12/21/36/387122136.db2.gz LKNQNJCHPZGGAS-WCQYABFASA-N 2 1 237.347 0.293 10 0 BCAEMP O=C(C[NH2+]C1CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812755 387442277 /nfs/dbraw/zinc/44/22/77/387442277.db2.gz WMMKQEMLWCCZFN-LBPRGKRZSA-N 2 1 237.347 0.435 10 0 BCAEMP O=C(C[NH2+]C1CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812755 387442284 /nfs/dbraw/zinc/44/22/84/387442284.db2.gz WMMKQEMLWCCZFN-LBPRGKRZSA-N 2 1 237.347 0.435 10 0 BCAEMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000127605457 387717861 /nfs/dbraw/zinc/71/78/61/387717861.db2.gz BSFBDHQQFNTXGZ-GFCCVEGCSA-N 2 1 222.336 0.842 10 0 BCAEMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000127605654 387718678 /nfs/dbraw/zinc/71/86/78/387718678.db2.gz BSFBDHQQFNTXGZ-LBPRGKRZSA-N 2 1 222.336 0.842 10 0 BCAEMP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000226398603 387950394 /nfs/dbraw/zinc/95/03/94/387950394.db2.gz CMQQMNGNRBYMJH-GMTAPVOTSA-N 2 1 239.363 0.713 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000082560126 388036797 /nfs/dbraw/zinc/03/67/97/388036797.db2.gz YEAQRHQDWHMSTH-MWLCHTKSSA-N 2 1 225.336 0.052 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300409348 388367334 /nfs/dbraw/zinc/36/73/34/388367334.db2.gz XTIRGYJAMOJPTL-TUAOUCFPSA-N 2 1 239.363 0.572 10 0 BCAEMP CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000334669906 388446014 /nfs/dbraw/zinc/44/60/14/388446014.db2.gz UMFPMCZFBAKEGD-CMPLNLGQSA-N 2 1 239.363 0.727 10 0 BCAEMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C)C1 ZINC000246323017 388630117 /nfs/dbraw/zinc/63/01/17/388630117.db2.gz FSTISTNFMUFNCW-GHMZBOCLSA-N 2 1 227.352 0.393 10 0 BCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C)C1 ZINC000246323017 388630119 /nfs/dbraw/zinc/63/01/19/388630119.db2.gz FSTISTNFMUFNCW-GHMZBOCLSA-N 2 1 227.352 0.393 10 0 BCAEMP C(CN1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000086933105 533359292 /nfs/dbraw/zinc/35/92/92/533359292.db2.gz GTBSRLFTFFVCLL-QWHCGFSZSA-N 2 1 223.364 0.766 10 0 BCAEMP C[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000036887729 132342974 /nfs/dbraw/zinc/34/29/74/132342974.db2.gz NVRZIFDCAFEQEH-UHFFFAOYSA-N 2 1 236.294 0.862 10 0 BCAEMP CC[C@H](CC[NH3+])[NH+]1CCN(c2cnccn2)CC1 ZINC000037039556 132343271 /nfs/dbraw/zinc/34/32/71/132343271.db2.gz JRUQSQLJBUFNJT-GFCCVEGCSA-N 2 1 249.362 0.726 10 0 BCAEMP Cc1ccc[nH+]c1N1CCO[C@H](C[NH3+])C1 ZINC000051040756 132359864 /nfs/dbraw/zinc/35/98/64/132359864.db2.gz QDGJORHKGKYCFB-SNVBAGLBSA-N 2 1 207.277 0.554 10 0 BCAEMP CN(C)c1nc(N2CCCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000068690140 132364905 /nfs/dbraw/zinc/36/49/05/132364905.db2.gz MLHTZGQHXFSEPC-SNVBAGLBSA-N 2 1 235.335 0.860 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253199843 133653996 /nfs/dbraw/zinc/65/39/96/133653996.db2.gz BNRMOZGLBOLNFX-VXGBXAGGSA-N 2 1 241.379 0.770 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253199843 133653997 /nfs/dbraw/zinc/65/39/97/133653997.db2.gz BNRMOZGLBOLNFX-VXGBXAGGSA-N 2 1 241.379 0.770 10 0 BCAEMP CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000226857781 134370069 /nfs/dbraw/zinc/37/00/69/134370069.db2.gz TYTKITZIXSJELE-RYUDHWBXSA-N 2 1 211.353 0.622 10 0 BCAEMP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000407986763 134806404 /nfs/dbraw/zinc/80/64/04/134806404.db2.gz HUHDAUQJXYGYPH-RKDXNWHRSA-N 2 1 239.298 0.418 10 0 BCAEMP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251161139 135065060 /nfs/dbraw/zinc/06/50/60/135065060.db2.gz CDKCYBQJFGFUTI-NEPJUHHUSA-N 2 1 239.363 0.811 10 0 BCAEMP C[N@@H+](CCOCC[NH3+])C[C@H]1CCCO1 ZINC000086435486 135084190 /nfs/dbraw/zinc/08/41/90/135084190.db2.gz FPCSNFNSLCETJF-SNVBAGLBSA-N 2 1 202.298 0.073 10 0 BCAEMP OCC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000252686897 135096571 /nfs/dbraw/zinc/09/65/71/135096571.db2.gz KNYRZUGNPOQOBZ-RYUDHWBXSA-N 2 1 212.337 0.690 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cnn1C ZINC000086884463 135099911 /nfs/dbraw/zinc/09/99/11/135099911.db2.gz SRNFJSGVXDESGQ-BXKDBHETSA-N 2 1 222.336 0.898 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cnn1C ZINC000086884463 135099912 /nfs/dbraw/zinc/09/99/12/135099912.db2.gz SRNFJSGVXDESGQ-BXKDBHETSA-N 2 1 222.336 0.898 10 0 BCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1C[NH2+]C1 ZINC000258611661 135132761 /nfs/dbraw/zinc/13/27/61/135132761.db2.gz BBOGMEUMWQFSQZ-JTQLQIEISA-N 2 1 225.336 0.006 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000257701175 135139750 /nfs/dbraw/zinc/13/97/50/135139750.db2.gz QBSMUQRKEPEYSB-CYBMUJFWSA-N 2 1 234.347 0.914 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000257701175 135139752 /nfs/dbraw/zinc/13/97/52/135139752.db2.gz QBSMUQRKEPEYSB-CYBMUJFWSA-N 2 1 234.347 0.914 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257769644 135142034 /nfs/dbraw/zinc/14/20/34/135142034.db2.gz BSBIAULVXDYXNV-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000257769644 135142035 /nfs/dbraw/zinc/14/20/35/135142035.db2.gz BSBIAULVXDYXNV-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP CC1(C)C[N@@H+](CCN2CCOCC2)CC[C@H]1[NH3+] ZINC000259396018 135142918 /nfs/dbraw/zinc/14/29/18/135142918.db2.gz XHCTVGUGVNGYAN-GFCCVEGCSA-N 2 1 241.379 0.378 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]12 ZINC000261532009 135161913 /nfs/dbraw/zinc/16/19/13/135161913.db2.gz ISNXHPUIOQQBPL-IRCOFANPSA-N 2 1 210.321 0.692 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCCN1CC[NH3+] ZINC000261534045 135165515 /nfs/dbraw/zinc/16/55/15/135165515.db2.gz LPVBIQNMUXZGCC-LLVKDONJSA-N 2 1 208.309 0.615 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261537990 135175650 /nfs/dbraw/zinc/17/56/50/135175650.db2.gz WZWMVDJHMPTEFK-AEJSXWLSSA-N 2 1 212.293 0.219 10 0 BCAEMP COCC(C)(C)C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261538495 135176696 /nfs/dbraw/zinc/17/66/96/135176696.db2.gz YHFLVAQUMTWXSK-UWVGGRQHSA-N 2 1 200.326 0.938 10 0 BCAEMP COCC(C)(C)C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261538495 135176697 /nfs/dbraw/zinc/17/66/97/135176697.db2.gz YHFLVAQUMTWXSK-UWVGGRQHSA-N 2 1 200.326 0.938 10 0 BCAEMP Cc1ncsc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000261542021 135182648 /nfs/dbraw/zinc/18/26/48/135182648.db2.gz GIPDUDMBNQMOMM-BDAKNGLRSA-N 2 1 227.333 0.121 10 0 BCAEMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544682 135186261 /nfs/dbraw/zinc/18/62/61/135186261.db2.gz FEAZMQSRWHXDEH-CYZMBNFOSA-N 2 1 234.347 0.898 10 0 BCAEMP Cn1cc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550227 135189203 /nfs/dbraw/zinc/18/92/03/135189203.db2.gz LANMXQHOQSIPSJ-RWMBFGLXSA-N 2 1 234.347 0.632 10 0 BCAEMP Cn1cc(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550229 135189551 /nfs/dbraw/zinc/18/95/51/135189551.db2.gz LANMXQHOQSIPSJ-YNEHKIRRSA-N 2 1 234.347 0.632 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551258 135190480 /nfs/dbraw/zinc/19/04/80/135190480.db2.gz LXWDYMKWDRRRIU-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551258 135190481 /nfs/dbraw/zinc/19/04/81/135190481.db2.gz LXWDYMKWDRRRIU-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@H]1[C@H](CO)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261554179 135193352 /nfs/dbraw/zinc/19/33/52/135193352.db2.gz UASQZMFNCKYHPX-JQWIXIFHSA-N 2 1 212.337 0.689 10 0 BCAEMP Cn1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261568931 135211683 /nfs/dbraw/zinc/21/16/83/135211683.db2.gz FZPPJRLUDJPIAU-MVWJERBFSA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261568931 135211684 /nfs/dbraw/zinc/21/16/84/135211684.db2.gz FZPPJRLUDJPIAU-MVWJERBFSA-N 2 1 220.320 0.589 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@@H]12 ZINC000261596345 135236062 /nfs/dbraw/zinc/23/60/62/135236062.db2.gz YSTCXAHQPZTVRL-QJPTWQEYSA-N 2 1 220.320 0.552 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261746155 135249088 /nfs/dbraw/zinc/24/90/88/135249088.db2.gz JCGRVUJUUQGFAZ-PWSUYJOCSA-N 2 1 225.336 0.196 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261746155 135249089 /nfs/dbraw/zinc/24/90/89/135249089.db2.gz JCGRVUJUUQGFAZ-PWSUYJOCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@H](CO)[N@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261747454 135249981 /nfs/dbraw/zinc/24/99/81/135249981.db2.gz BXBKUCDDRRBTNY-LLVKDONJSA-N 2 1 229.368 0.112 10 0 BCAEMP CC(=O)N[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261751280 135250150 /nfs/dbraw/zinc/25/01/50/135250150.db2.gz JVAAAVQUASTHNP-OLZOCXBDSA-N 2 1 239.363 0.587 10 0 BCAEMP CC(=O)N[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261751280 135250151 /nfs/dbraw/zinc/25/01/51/135250151.db2.gz JVAAAVQUASTHNP-OLZOCXBDSA-N 2 1 239.363 0.587 10 0 BCAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000261790453 135253210 /nfs/dbraw/zinc/25/32/10/135253210.db2.gz GEBHWTQKLRJDGI-OLZOCXBDSA-N 2 1 242.363 0.723 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](C)[NH3+] ZINC000261791859 135253302 /nfs/dbraw/zinc/25/33/02/135253302.db2.gz KIZZDRGEKWJHDH-IJLUTSLNSA-N 2 1 239.363 0.809 10 0 BCAEMP CC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261845088 135257044 /nfs/dbraw/zinc/25/70/44/135257044.db2.gz VHMYIPGVDDAHLQ-WDEREUQCSA-N 2 1 227.352 0.572 10 0 BCAEMP C[C@]1(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC[NH2+]C1 ZINC000261914104 135262813 /nfs/dbraw/zinc/26/28/13/135262813.db2.gz YXHIUOVTUPRXHI-YPMHNXCESA-N 2 1 249.362 0.984 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000261949885 135265552 /nfs/dbraw/zinc/26/55/52/135265552.db2.gz FVFGISMIKJCROX-CYDGBPFRSA-N 3 1 223.364 0.655 10 0 BCAEMP C[C@]1(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000261949885 135265553 /nfs/dbraw/zinc/26/55/53/135265553.db2.gz FVFGISMIKJCROX-CYDGBPFRSA-N 2 1 223.364 0.655 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)CCOC ZINC000262164171 135282704 /nfs/dbraw/zinc/28/27/04/135282704.db2.gz VNNIYQDHOVAEJE-LLVKDONJSA-N 2 1 245.367 0.198 10 0 BCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)C2C[NH2+]C2)[C@@H](C)C1 ZINC000262178759 135284132 /nfs/dbraw/zinc/28/41/32/135284132.db2.gz DIBFGQZIXWSSSF-JQWIXIFHSA-N 2 1 239.363 0.395 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263182085 135337878 /nfs/dbraw/zinc/33/78/78/135337878.db2.gz GWMKLNWEEYYIMI-VXGBXAGGSA-N 2 1 221.304 0.060 10 0 BCAEMP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263200600 135339038 /nfs/dbraw/zinc/33/90/38/135339038.db2.gz IYSVHBUHDVGXGM-IUCAKERBSA-N 2 1 242.344 0.427 10 0 BCAEMP COc1ccsc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263200598 135339529 /nfs/dbraw/zinc/33/95/29/135339529.db2.gz IYSVHBUHDVGXGM-BDAKNGLRSA-N 2 1 242.344 0.427 10 0 BCAEMP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263200599 135339591 /nfs/dbraw/zinc/33/95/91/135339591.db2.gz IYSVHBUHDVGXGM-DTWKUNHWSA-N 2 1 242.344 0.427 10 0 BCAEMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224164 135341201 /nfs/dbraw/zinc/34/12/01/135341201.db2.gz MNVLKWBBGGSPTO-YPMHNXCESA-N 2 1 236.315 0.365 10 0 BCAEMP Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263264774 135343355 /nfs/dbraw/zinc/34/33/55/135343355.db2.gz RLSQGYGAEXOEHJ-YPMHNXCESA-N 2 1 238.306 0.804 10 0 BCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263264733 135343404 /nfs/dbraw/zinc/34/34/04/135343404.db2.gz RKVQCSWSRZWVLF-DGCLKSJQSA-N 2 1 236.315 0.365 10 0 BCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCC[C@@H](C)C1 ZINC000263260206 135343545 /nfs/dbraw/zinc/34/35/45/135343545.db2.gz GFDGARKWMPDBSB-GHMZBOCLSA-N 2 1 239.363 0.442 10 0 BCAEMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263264732 135343556 /nfs/dbraw/zinc/34/35/56/135343556.db2.gz RKVQCSWSRZWVLF-AAEUAGOBSA-N 2 1 236.315 0.365 10 0 BCAEMP Cc1cc(F)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263313357 135345760 /nfs/dbraw/zinc/34/57/60/135345760.db2.gz ZCBPDCJGIXVBRR-AAEUAGOBSA-N 2 1 238.306 0.804 10 0 BCAEMP CN(C)c1nc(NC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000082924369 135442856 /nfs/dbraw/zinc/44/28/56/135442856.db2.gz DJWIWYHVRZNRKM-SECBINFHSA-N 2 1 221.308 0.707 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000088032520 135514589 /nfs/dbraw/zinc/51/45/89/135514589.db2.gz ZICKKKQUDXKDHB-MNOVXSKESA-N 2 1 225.336 0.054 10 0 BCAEMP C[N@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000383759330 398036381 /nfs/dbraw/zinc/03/63/81/398036381.db2.gz LECDEZXKLIMUDQ-STQMWFEESA-N 2 1 242.363 0.600 10 0 BCAEMP C[N@@H+](C[C@@H](O)C[NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000383759330 398036385 /nfs/dbraw/zinc/03/63/85/398036385.db2.gz LECDEZXKLIMUDQ-STQMWFEESA-N 2 1 242.363 0.600 10 0 BCAEMP C[C@H]1CCSCC[N@@H+]1[C@H](CN)CO ZINC000306636894 397970613 /nfs/dbraw/zinc/97/06/13/397970613.db2.gz MAQUOQWIJQFKPF-DTWKUNHWSA-N 2 1 204.339 0.133 10 0 BCAEMP C[C@H]1CCSCC[N@H+]1[C@H](CN)CO ZINC000306636894 397970616 /nfs/dbraw/zinc/97/06/16/397970616.db2.gz MAQUOQWIJQFKPF-DTWKUNHWSA-N 2 1 204.339 0.133 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000638088098 398071465 /nfs/dbraw/zinc/07/14/65/398071465.db2.gz YUZAZWQQMLVGEJ-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000638088098 398071472 /nfs/dbraw/zinc/07/14/72/398071472.db2.gz YUZAZWQQMLVGEJ-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000054048317 167044559 /nfs/dbraw/zinc/04/45/59/167044559.db2.gz VIIMIEBKSYLMLQ-LBPRGKRZSA-N 2 1 241.379 0.833 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000086932549 487588548 /nfs/dbraw/zinc/58/85/48/487588548.db2.gz MOEPPKWCFVVXNZ-JHJVBQTASA-N 2 1 223.364 0.764 10 0 BCAEMP O[C@@H]1CCC[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309755210 487590932 /nfs/dbraw/zinc/59/09/32/487590932.db2.gz LIIBAGUNIMOXGI-WUHRBBMRSA-N 2 1 224.348 0.689 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000662265789 409561479 /nfs/dbraw/zinc/56/14/79/409561479.db2.gz IOOSESDSIFEJSY-BJDJZHNGSA-N 2 1 237.347 0.276 10 0 BCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673680 410885167 /nfs/dbraw/zinc/88/51/67/410885167.db2.gz SLDDHWCVFFIMCI-HBNTYKKESA-N 2 1 227.352 0.570 10 0 BCAEMP CC(C)[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245199 167395140 /nfs/dbraw/zinc/39/51/40/167395140.db2.gz QEIPPBKZOVYRGJ-VXGBXAGGSA-N 2 1 241.379 0.770 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](O)C1 ZINC000401969621 411183759 /nfs/dbraw/zinc/18/37/59/411183759.db2.gz YEOCPPIBCNYRGN-SRVKXCTJSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](O)C1 ZINC000401969621 411183760 /nfs/dbraw/zinc/18/37/60/411183760.db2.gz YEOCPPIBCNYRGN-SRVKXCTJSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401969621 411183761 /nfs/dbraw/zinc/18/37/61/411183761.db2.gz YEOCPPIBCNYRGN-SRVKXCTJSA-N 2 1 230.352 0.002 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401969621 411183763 /nfs/dbraw/zinc/18/37/63/411183763.db2.gz YEOCPPIBCNYRGN-SRVKXCTJSA-N 2 1 230.352 0.002 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC000129039205 411212417 /nfs/dbraw/zinc/21/24/17/411212417.db2.gz FKGZFADSQNBODH-NSHDSACASA-N 2 1 229.368 0.816 10 0 BCAEMP Nc1cc([C@H]2CCN(CC[NH3+])C2)cc[nH+]1 ZINC000616611393 411287357 /nfs/dbraw/zinc/28/73/57/411287357.db2.gz CVAIBSTYNFCABZ-JTQLQIEISA-N 2 1 206.293 0.412 10 0 BCAEMP CC[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054290195 169983094 /nfs/dbraw/zinc/98/30/94/169983094.db2.gz GEHIHOZKQIDIIW-LBPRGKRZSA-N 2 1 239.363 0.540 10 0 BCAEMP CCN1CC[NH+](C[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000053860842 169993756 /nfs/dbraw/zinc/99/37/56/169993756.db2.gz YTLFNOIQDIXEFN-NEPJUHHUSA-N 2 1 211.353 0.751 10 0 BCAEMP CCNC(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000049726157 170054723 /nfs/dbraw/zinc/05/47/23/170054723.db2.gz YZLGFVXPAFJIOB-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000036780316 170064631 /nfs/dbraw/zinc/06/46/31/170064631.db2.gz WRHHPGNSXYPULV-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000036780316 170064632 /nfs/dbraw/zinc/06/46/32/170064632.db2.gz WRHHPGNSXYPULV-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602900 170086004 /nfs/dbraw/zinc/08/60/04/170086004.db2.gz CVNGEOBSTVMLAU-WAAKLRNESA-N 2 1 239.363 0.855 10 0 BCAEMP CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602900 170086006 /nfs/dbraw/zinc/08/60/06/170086006.db2.gz CVNGEOBSTVMLAU-WAAKLRNESA-N 2 1 239.363 0.855 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000061299015 170107410 /nfs/dbraw/zinc/10/74/10/170107410.db2.gz PMODGAUSMUCFOJ-SECBINFHSA-N 2 1 213.325 0.195 10 0 BCAEMP CC[NH2+]CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000061295352 170111848 /nfs/dbraw/zinc/11/18/48/170111848.db2.gz OIRSOVJNRCTHQY-GFCCVEGCSA-N 2 1 239.363 0.683 10 0 BCAEMP CC[NH2+]CCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942768 170112062 /nfs/dbraw/zinc/11/20/62/170112062.db2.gz JGSLDCXRNJIJTH-LBPRGKRZSA-N 2 1 239.363 0.683 10 0 BCAEMP CC[NH2+]C[C@@]1(C[N@H+]2CCC[C@@H]2CO)CCOC1 ZINC000051254977 170121057 /nfs/dbraw/zinc/12/10/57/170121057.db2.gz IJNJZOUWHWIQQJ-CHWSQXEVSA-N 2 1 242.363 0.459 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000061266913 170121551 /nfs/dbraw/zinc/12/15/51/170121551.db2.gz ZYBCBYQHTLIKHG-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)[C@@H](CC)C1 ZINC000104138657 170122050 /nfs/dbraw/zinc/12/20/50/170122050.db2.gz UVJRUSVVODFXMX-RYUDHWBXSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2COCCO2)[C@H](C)C1 ZINC000049713117 170151332 /nfs/dbraw/zinc/15/13/32/170151332.db2.gz BZKQVMMAELLIEP-JHJVBQTASA-N 2 1 242.363 0.864 10 0 BCAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2COCCO2)[C@H](C)C1 ZINC000049713117 170151334 /nfs/dbraw/zinc/15/13/34/170151334.db2.gz BZKQVMMAELLIEP-JHJVBQTASA-N 2 1 242.363 0.864 10 0 BCAEMP CC[NH2+][C@@H]1CCN(C[C@H]2CC[N@@H+](C)C2)C1=O ZINC000049648817 170151910 /nfs/dbraw/zinc/15/19/10/170151910.db2.gz OMGHGCVJJREQCS-WDEREUQCSA-N 2 1 225.336 0.149 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040715856 170152546 /nfs/dbraw/zinc/15/25/46/170152546.db2.gz DYKWAFPZQJVGDU-VXGBXAGGSA-N 2 1 211.353 0.764 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@@H]2CC[N@H+]3CCC[C@H]23)C1=O ZINC000049660482 170152773 /nfs/dbraw/zinc/15/27/73/170152773.db2.gz DWLLEBLXDUYOHL-IJLUTSLNSA-N 2 1 237.347 0.434 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000061274362 170156966 /nfs/dbraw/zinc/15/69/66/170156966.db2.gz APWXAVIZYXHQER-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCc1nc(N[C@@H](C)CC[NH3+])cc(C)[nH+]1 ZINC000336701386 411782454 /nfs/dbraw/zinc/78/24/54/411782454.db2.gz PRUIATLBIAJPHU-QMMMGPOBSA-N 2 1 208.309 1.497 10 0 BCAEMP C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248467 412045930 /nfs/dbraw/zinc/04/59/30/412045930.db2.gz CGQQAVDVMAKIRS-NEPJUHHUSA-N 2 1 240.347 0.618 10 0 BCAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CC(=O)NC)C1 ZINC000037270045 171040265 /nfs/dbraw/zinc/04/02/65/171040265.db2.gz BMDMMPQGKYEUNK-GRYCIOLGSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)CC(=O)NC)C1 ZINC000037270045 171040268 /nfs/dbraw/zinc/04/02/68/171040268.db2.gz BMDMMPQGKYEUNK-GRYCIOLGSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[C@H](C)N1CC[NH+](C[C@@H](O)CC[NH3+])CC1 ZINC000071534304 171319466 /nfs/dbraw/zinc/31/94/66/171319466.db2.gz UHMVEYVRMMAURJ-RYUDHWBXSA-N 2 1 229.368 0.112 10 0 BCAEMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000104128642 171394283 /nfs/dbraw/zinc/39/42/83/171394283.db2.gz UJPRACMAUQJHDG-QWRGUYRKSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104128642 171394284 /nfs/dbraw/zinc/39/42/84/171394284.db2.gz UJPRACMAUQJHDG-QWRGUYRKSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000662460087 412183432 /nfs/dbraw/zinc/18/34/32/412183432.db2.gz PSZASMAIFRHLAU-WOPDTQHZSA-N 2 1 239.363 0.680 10 0 BCAEMP CN(C)c1nc(NCCOCCC[NH3+])cc[nH+]1 ZINC000630537357 412201035 /nfs/dbraw/zinc/20/10/35/412201035.db2.gz MWIFZOQXUKXCCF-UHFFFAOYSA-N 2 1 239.323 0.320 10 0 BCAEMP CNc1nc(N(C)[C@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000584660320 412320332 /nfs/dbraw/zinc/32/03/32/412320332.db2.gz XMJWHVWPAATBIG-ZJUUUORDSA-N 2 1 235.335 0.953 10 0 BCAEMP CCc1[nH+]ccn1Cc1cc(C[NH3+])no1 ZINC000016943546 172028070 /nfs/dbraw/zinc/02/80/70/172028070.db2.gz UGDIAEJQRXEKKP-UHFFFAOYSA-N 2 1 206.249 0.941 10 0 BCAEMP CN(C)C(=O)CC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000304262831 172358145 /nfs/dbraw/zinc/35/81/45/172358145.db2.gz JKNUUCJMJXXTEE-SNVBAGLBSA-N 2 1 227.352 0.524 10 0 BCAEMP C[N@H+]1CCCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020597533 173011690 /nfs/dbraw/zinc/01/16/90/173011690.db2.gz CGLCRRJDUGTDEK-LBPRGKRZSA-N 2 1 239.363 0.683 10 0 BCAEMP C[N@H+]1CCCN(C(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000020597534 173012955 /nfs/dbraw/zinc/01/29/55/173012955.db2.gz CGLCRRJDUGTDEK-GFCCVEGCSA-N 2 1 239.363 0.683 10 0 BCAEMP C[N@H+]1CCCN(CC[NH2+]C2CCOCC2)CC1 ZINC000062767623 173013749 /nfs/dbraw/zinc/01/37/49/173013749.db2.gz VVVSKPMCNRRAQX-UHFFFAOYSA-N 2 1 241.379 0.393 10 0 BCAEMP C[N@H+]1CCCN(C2(C[NH3+])CCCC2)CC1 ZINC000020217732 173014759 /nfs/dbraw/zinc/01/47/59/173014759.db2.gz QUIJMWUCKSXZHY-UHFFFAOYSA-N 2 1 211.353 0.895 10 0 BCAEMP C[N@H+]1CCCN(C[C@@](C)([NH3+])C2CC2)CC1 ZINC000037479190 173016525 /nfs/dbraw/zinc/01/65/25/173016525.db2.gz OKQZTUVKYIANCD-GFCCVEGCSA-N 2 1 211.353 0.751 10 0 BCAEMP C[N@H+]1CCCN([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037158699 173016621 /nfs/dbraw/zinc/01/66/21/173016621.db2.gz UFPKSSXQTUZECY-VXGBXAGGSA-N 2 1 211.353 0.751 10 0 BCAEMP CN1CCC[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037158699 173016622 /nfs/dbraw/zinc/01/66/22/173016622.db2.gz UFPKSSXQTUZECY-VXGBXAGGSA-N 2 1 211.353 0.751 10 0 BCAEMP CN1CCC[N@H+]([C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037158699 173016625 /nfs/dbraw/zinc/01/66/25/173016625.db2.gz UFPKSSXQTUZECY-VXGBXAGGSA-N 2 1 211.353 0.751 10 0 BCAEMP C[N@H+]1CCCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052424283 173017650 /nfs/dbraw/zinc/01/76/50/173017650.db2.gz KUHPCRIWKHHMAV-UHFFFAOYSA-N 2 1 223.320 0.876 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055122116 173066322 /nfs/dbraw/zinc/06/63/22/173066322.db2.gz RBNRVHGFKGSNFS-RYUDHWBXSA-N 2 1 239.363 0.668 10 0 BCAEMP C[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000036720790 173070352 /nfs/dbraw/zinc/07/03/52/173070352.db2.gz JNFRFQOEHTZSKT-UHFFFAOYSA-N 2 1 248.330 0.925 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H](C[NH3+])CC2CC2)CC1 ZINC000051690927 173072052 /nfs/dbraw/zinc/07/20/52/173072052.db2.gz SLXAZKWXKPFABO-NSHDSACASA-N 2 1 225.336 0.135 10 0 BCAEMP CN1CC[NH+](CCNc2cc[nH+]cc2)CC1 ZINC000037760129 173083557 /nfs/dbraw/zinc/08/35/57/173083557.db2.gz DCQJPFFWSBGFAG-UHFFFAOYSA-N 2 1 220.320 0.741 10 0 BCAEMP C[NH+]1CCN(C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000058081594 173084302 /nfs/dbraw/zinc/08/43/02/173084302.db2.gz OECPXPZWNJEOIV-VXGBXAGGSA-N 2 1 211.353 0.751 10 0 BCAEMP C[NH+]1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052379440 173086821 /nfs/dbraw/zinc/08/68/21/173086821.db2.gz DSBXSBJUNABYBB-UHFFFAOYSA-N 2 1 209.293 0.486 10 0 BCAEMP C[NH+]1CCN(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000082698202 173091420 /nfs/dbraw/zinc/09/14/20/173091420.db2.gz FVQAJNGLGWKLFI-UHFFFAOYSA-N 2 1 248.330 0.038 10 0 BCAEMP CN(CC[C@@](C)([NH3+])C(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190944 173111694 /nfs/dbraw/zinc/11/16/94/173111694.db2.gz NOLDLRLYVOOXEG-ZYHUDNBSSA-N 2 1 243.351 0.062 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000070823405 173113615 /nfs/dbraw/zinc/11/36/15/173113615.db2.gz IKDZFJZFLFTRCL-OLZOCXBDSA-N 3 1 225.380 0.870 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC[C@H]2CCC[NH+](C)C2)C1 ZINC000054242804 173114516 /nfs/dbraw/zinc/11/45/16/173114516.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 2 1 225.380 0.870 10 0 BCAEMP C[NH+]1CC[C@@H](CNC[C@H]2CCC[N@H+](C)C2)C1 ZINC000054242804 173114517 /nfs/dbraw/zinc/11/45/17/173114517.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 2 1 225.380 0.870 10 0 BCAEMP C[NH+]1CC[C@@H](CNC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000054242804 173114518 /nfs/dbraw/zinc/11/45/18/173114518.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 2 1 225.380 0.870 10 0 BCAEMP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC[NH+](C)C2)C1 ZINC000054242804 173114520 /nfs/dbraw/zinc/11/45/20/173114520.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 3 1 225.380 0.870 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCC[NH+](C)C2)C1 ZINC000054242804 173114521 /nfs/dbraw/zinc/11/45/21/173114521.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH+]1CC[C@@H](C[NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000054242804 173114522 /nfs/dbraw/zinc/11/45/22/173114522.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH+]1CC[C@@H](C[NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000054242804 173114523 /nfs/dbraw/zinc/11/45/23/173114523.db2.gz SNDCRCCLIHNCTL-OLZOCXBDSA-N 3 1 225.380 0.870 10 0 BCAEMP CN(C1CCOCC1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990314 173136589 /nfs/dbraw/zinc/13/65/89/173136589.db2.gz KDIMWLPXYNZAST-LBPRGKRZSA-N 2 1 227.352 0.130 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000044501248 173141086 /nfs/dbraw/zinc/14/10/86/173141086.db2.gz XVABJAPBSIPPPP-MNOVXSKESA-N 2 1 225.336 0.054 10 0 BCAEMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH2+]CC1 ZINC000037758713 173141332 /nfs/dbraw/zinc/14/13/32/173141332.db2.gz QMFKSSHDTIOFKH-JTQLQIEISA-N 2 1 225.336 0.149 10 0 BCAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC1(O)CCC1 ZINC000336647688 173142399 /nfs/dbraw/zinc/14/23/99/173142399.db2.gz MYLASUGJYUOSBX-NSHDSACASA-N 2 1 212.337 0.785 10 0 BCAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1(O)CCC1 ZINC000336647688 173142402 /nfs/dbraw/zinc/14/24/02/173142402.db2.gz MYLASUGJYUOSBX-NSHDSACASA-N 2 1 212.337 0.785 10 0 BCAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1(O)CCC1 ZINC000336647688 173142404 /nfs/dbraw/zinc/14/24/04/173142404.db2.gz MYLASUGJYUOSBX-NSHDSACASA-N 2 1 212.337 0.785 10 0 BCAEMP CN(Cc1cc(C[NH3+])no1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191814 173142654 /nfs/dbraw/zinc/14/26/54/173142654.db2.gz GBGCLPXDPGPECA-JTQLQIEISA-N 2 1 238.335 0.517 10 0 BCAEMP CN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304178 173150169 /nfs/dbraw/zinc/15/01/69/173150169.db2.gz PJNFZMYQYCLSHB-VHSXEESVSA-N 2 1 225.336 0.276 10 0 BCAEMP CN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304178 173150172 /nfs/dbraw/zinc/15/01/72/173150172.db2.gz PJNFZMYQYCLSHB-VHSXEESVSA-N 2 1 225.336 0.276 10 0 BCAEMP CN(CC1CCOCC1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000104193707 173161896 /nfs/dbraw/zinc/16/18/96/173161896.db2.gz AYTOMBOJNFEWAV-CYBMUJFWSA-N 2 1 241.379 0.378 10 0 BCAEMP CN(CC1CCOCC1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000104193707 173161899 /nfs/dbraw/zinc/16/18/99/173161899.db2.gz AYTOMBOJNFEWAV-CYBMUJFWSA-N 2 1 241.379 0.378 10 0 BCAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCO[C@H]3CCC[C@@H]32)C1 ZINC000061990705 173163198 /nfs/dbraw/zinc/16/31/98/173163198.db2.gz YKGCPNGKHGISHR-RWMBFGLXSA-N 2 1 239.363 0.273 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042391760 173298698 /nfs/dbraw/zinc/29/86/98/173298698.db2.gz WGBGXQNEIWZIKW-UTUOFQBUSA-N 2 1 239.363 0.714 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000061319328 173317952 /nfs/dbraw/zinc/31/79/52/173317952.db2.gz XPUUFFVTYPJXIT-SNVBAGLBSA-N 2 1 227.352 0.537 10 0 BCAEMP C[NH2+][C@@H](C)[C@H](C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062979688 173416677 /nfs/dbraw/zinc/41/66/77/173416677.db2.gz ZBOWCLMQVHYMDP-AVGNSLFASA-N 2 1 241.379 0.389 10 0 BCAEMP COCCC[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000037753586 174228437 /nfs/dbraw/zinc/22/84/37/174228437.db2.gz SSSNRGYYFBKDMP-ZDUSSCGKSA-N 2 1 243.395 0.625 10 0 BCAEMP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455848 174243313 /nfs/dbraw/zinc/24/33/13/174243313.db2.gz HVJMHXPZYSWVIP-QWRGUYRKSA-N 2 1 245.367 0.054 10 0 BCAEMP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455848 174243314 /nfs/dbraw/zinc/24/33/14/174243314.db2.gz HVJMHXPZYSWVIP-QWRGUYRKSA-N 2 1 245.367 0.054 10 0 BCAEMP COCCN(C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000061377626 174277469 /nfs/dbraw/zinc/27/74/69/174277469.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 2 1 243.395 0.496 10 0 BCAEMP COCC[N@H+](C)CCNC[C@@H]1CCC[NH+](C)C1 ZINC000061377626 174277471 /nfs/dbraw/zinc/27/74/71/174277471.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 2 1 243.395 0.496 10 0 BCAEMP COCC[N@@H+](C)CCNC[C@@H]1CCC[NH+](C)C1 ZINC000061377626 174277472 /nfs/dbraw/zinc/27/74/72/174277472.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 2 1 243.395 0.496 10 0 BCAEMP COCC[NH+](C)CCNC[C@@H]1CCC[N@H+](C)C1 ZINC000061377626 174277474 /nfs/dbraw/zinc/27/74/74/174277474.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 2 1 243.395 0.496 10 0 BCAEMP COCC[NH+](C)CCNC[C@@H]1CCC[N@@H+](C)C1 ZINC000061377626 174277475 /nfs/dbraw/zinc/27/74/75/174277475.db2.gz QCJPTRPEKRRPGH-ZDUSSCGKSA-N 2 1 243.395 0.496 10 0 BCAEMP COCC[N@@H+](CC(C)C)C[C@@H](O)C[NH2+]C(C)C ZINC000042368662 174287749 /nfs/dbraw/zinc/28/77/49/174287749.db2.gz CTYDDLUXKIGGDR-ZDUSSCGKSA-N 2 1 246.395 0.950 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000225813736 487629724 /nfs/dbraw/zinc/62/97/24/487629724.db2.gz VORAGBHGQQCSET-ZYHUDNBSSA-N 2 1 241.379 0.959 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CCC(=O)NCC[NH3+])C1 ZINC000049478094 176096134 /nfs/dbraw/zinc/09/61/34/176096134.db2.gz YUCWEISYBZOPGT-SNVBAGLBSA-N 2 1 213.325 0.183 10 0 BCAEMP C[C@@H]1CC[N@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224842856 176169135 /nfs/dbraw/zinc/16/91/35/176169135.db2.gz YIOAISQEVXRNIV-GHMZBOCLSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224842856 176169136 /nfs/dbraw/zinc/16/91/36/176169136.db2.gz YIOAISQEVXRNIV-GHMZBOCLSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1[nH+]ccn1C ZINC000053704624 176202876 /nfs/dbraw/zinc/20/28/76/176202876.db2.gz QEJVADFRWYWYHC-ZJUUUORDSA-N 2 1 208.309 0.984 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])CN1c1[nH+]ccn1C ZINC000053704617 176224476 /nfs/dbraw/zinc/22/44/76/176224476.db2.gz QEJVADFRWYWYHC-NXEZZACHSA-N 2 1 208.309 0.984 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCn1cccn1 ZINC000042427515 176224674 /nfs/dbraw/zinc/22/46/74/176224674.db2.gz LCBAWUJQLIEBSO-VXGBXAGGSA-N 2 1 222.336 0.942 10 0 BCAEMP C[C@@H]1C[NH2+]CCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000044538691 176325376 /nfs/dbraw/zinc/32/53/76/176325376.db2.gz ZDCCJBLVYQSTAL-CHWSQXEVSA-N 2 1 225.380 0.870 10 0 BCAEMP C[C@@H]1COCCN1[C@]1(C[NH3+])CC[N@H+](C2CC2)C1 ZINC000061990256 176336963 /nfs/dbraw/zinc/33/69/63/176336963.db2.gz BSXBGMFGVJMSJB-YPMHNXCESA-N 2 1 239.363 0.273 10 0 BCAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C1CCN(C)CC1 ZINC000049710880 176370923 /nfs/dbraw/zinc/37/09/23/176370923.db2.gz UWWFDCGOARBUKB-MNOVXSKESA-N 2 1 211.353 0.892 10 0 BCAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCN(C)CC1 ZINC000049710880 176370925 /nfs/dbraw/zinc/37/09/25/176370925.db2.gz UWWFDCGOARBUKB-MNOVXSKESA-N 2 1 211.353 0.892 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354431 177073897 /nfs/dbraw/zinc/07/38/97/177073897.db2.gz RVISGEZHCNXGRM-LBPRGKRZSA-N 2 1 239.363 0.683 10 0 BCAEMP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000019433656 177079111 /nfs/dbraw/zinc/07/91/11/177079111.db2.gz DYPHEAFJCYRKKE-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCC[C@H](C)C1 ZINC000019488150 177103597 /nfs/dbraw/zinc/10/35/97/177103597.db2.gz CCTVAYDVGWGAOQ-RYUDHWBXSA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@H]1CCC[C@H](C)[NH+]1CCN[NH+]=C(N)N ZINC000039109358 177130909 /nfs/dbraw/zinc/13/09/09/177130909.db2.gz IAIFTMSURQBMNY-IUCAKERBSA-N 2 1 213.329 0.237 10 0 BCAEMP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CC[C@H](C)C1 ZINC000040718321 177169782 /nfs/dbraw/zinc/16/97/82/177169782.db2.gz MMEVJYSSPOFCEI-QWRGUYRKSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@H]1CC[C@H](C[NH3+])CN1c1[nH+]ccn1C ZINC000053704620 177201064 /nfs/dbraw/zinc/20/10/64/177201064.db2.gz QEJVADFRWYWYHC-VHSXEESVSA-N 2 1 208.309 0.984 10 0 BCAEMP C[C@H]1C[N@@H+](CCOCC[NH3+])CCS1 ZINC000123511921 177253131 /nfs/dbraw/zinc/25/31/31/177253131.db2.gz NNUBDRHUIUQLHG-VIFPVBQESA-N 2 1 204.339 0.399 10 0 BCAEMP C[C@H]1C[N@@H+](C[C@]2(C[NH3+])CCOC2)CCCO1 ZINC000061934210 177258863 /nfs/dbraw/zinc/25/88/63/177258863.db2.gz OJGDZOGWHLLSCA-NWDGAFQWSA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055139805 177354235 /nfs/dbraw/zinc/35/42/35/177354235.db2.gz BUTXQYYCSORYKO-QCNOEVLYSA-N 2 1 239.363 0.570 10 0 BCAEMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C1CCN(C)CC1 ZINC000049710878 177364570 /nfs/dbraw/zinc/36/45/70/177364570.db2.gz UWWFDCGOARBUKB-WDEREUQCSA-N 2 1 211.353 0.892 10 0 BCAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1CCN(C)CC1 ZINC000049710878 177364572 /nfs/dbraw/zinc/36/45/72/177364572.db2.gz UWWFDCGOARBUKB-WDEREUQCSA-N 2 1 211.353 0.892 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000228480019 487656731 /nfs/dbraw/zinc/65/67/31/487656731.db2.gz KOKKRJMRTFYMFO-NWDGAFQWSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000383773385 487672490 /nfs/dbraw/zinc/67/24/90/487672490.db2.gz NQZWFSFAINRBRW-FRRDWIJNSA-N 2 1 243.395 0.181 10 0 BCAEMP CN(C)C[C@@H]1C[N@H+]([C@@H]2CCCC[C@H]2O)CCO1 ZINC000245593249 487701788 /nfs/dbraw/zinc/70/17/88/487701788.db2.gz GVPOXUNSOPIDBE-JHJVBQTASA-N 2 1 242.363 0.552 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000250222430 487729489 /nfs/dbraw/zinc/72/94/89/487729489.db2.gz DZOXLFOCIKEUGP-VHSXEESVSA-N 2 1 213.325 0.195 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772218 487730372 /nfs/dbraw/zinc/73/03/72/487730372.db2.gz NMEGRHLRJBOUBY-JTQLQIEISA-N 2 1 227.352 0.714 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251267329 487752016 /nfs/dbraw/zinc/75/20/16/487752016.db2.gz BAYOOJPYOUYMFH-NWDGAFQWSA-N 2 1 239.363 0.666 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]12 ZINC000310381506 323131156 /nfs/dbraw/zinc/13/11/56/323131156.db2.gz GYJKDXVQZIGHRJ-GRYCIOLGSA-N 2 1 237.347 0.278 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]CC2CC(O)C2)CC[N@H+]1C ZINC000156137401 326219789 /nfs/dbraw/zinc/21/97/89/326219789.db2.gz IMDQSPQNGIAMSO-ZYGVAYEYSA-N 2 1 212.337 0.830 10 0 BCAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221166232 488021172 /nfs/dbraw/zinc/02/11/72/488021172.db2.gz JOJJYDGFPAEKIY-VXGBXAGGSA-N 2 1 241.379 0.818 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000389374163 488092577 /nfs/dbraw/zinc/09/25/77/488092577.db2.gz MBZDTJDZESVDBN-GFCCVEGCSA-N 2 1 211.353 0.812 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[NH2+]C(C)C ZINC000092630023 488099399 /nfs/dbraw/zinc/09/93/99/488099399.db2.gz RAUJWCVDCZKSAQ-LBPRGKRZSA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000389636187 488103744 /nfs/dbraw/zinc/10/37/44/488103744.db2.gz JJHPOVSQZTYNRM-TUAOUCFPSA-N 2 1 239.363 0.714 10 0 BCAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC[C@@H]1C ZINC000399504948 487488794 /nfs/dbraw/zinc/48/87/94/487488794.db2.gz XPVIIOLKMDIJPQ-XQQFMLRXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC[C@@H]1C ZINC000399504948 487488798 /nfs/dbraw/zinc/48/87/98/487488798.db2.gz XPVIIOLKMDIJPQ-XQQFMLRXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399504948 487488804 /nfs/dbraw/zinc/48/88/04/487488804.db2.gz XPVIIOLKMDIJPQ-XQQFMLRXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399504948 487488809 /nfs/dbraw/zinc/48/88/09/487488809.db2.gz XPVIIOLKMDIJPQ-XQQFMLRXSA-N 2 1 244.379 0.533 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1([NH3+])CC1 ZINC000398105689 488210412 /nfs/dbraw/zinc/21/04/12/488210412.db2.gz VMCVWOLZJSQBSB-WDEREUQCSA-N 2 1 237.347 0.563 10 0 BCAEMP C1C[C@]2(CO1)CC[NH2+]C1(CC[NH2+]CC1)O2 ZINC000757138940 582518530 /nfs/dbraw/zinc/51/85/30/582518530.db2.gz FHOWULPRMGLJHJ-JTQLQIEISA-N 2 1 212.293 0.235 10 0 BCAEMP C[C@H](NCC[N@H+]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400464282 533857064 /nfs/dbraw/zinc/85/70/64/533857064.db2.gz SLRYDIYLQXXCGW-QWHCGFSZSA-N 2 1 223.364 0.836 10 0 BCAEMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400464282 533857071 /nfs/dbraw/zinc/85/70/71/533857071.db2.gz SLRYDIYLQXXCGW-QWHCGFSZSA-N 2 1 223.364 0.836 10 0 BCAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400358965 533893208 /nfs/dbraw/zinc/89/32/08/533893208.db2.gz MZPOREVSJNYHBD-UTUOFQBUSA-N 3 1 213.369 0.914 10 0 BCAEMP 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BHUMVCMETGYWPG-QCNOEVLYSA-N 2 1 240.347 0.997 10 0 BCAEMP C[NH+](C)CCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000252675135 535833379 /nfs/dbraw/zinc/83/33/79/535833379.db2.gz XGAZDCNXFZXSGB-LBPRGKRZSA-N 2 1 211.353 0.718 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000261533935 536374257 /nfs/dbraw/zinc/37/42/57/536374257.db2.gz LULKURQZZRDSQR-GMTAPVOTSA-N 2 1 225.336 0.324 10 0 BCAEMP C[NH+]1CCN(c2ncc3c(n2)CC[C@@H]([NH3+])C3)CC1 ZINC000020286127 536426551 /nfs/dbraw/zinc/42/65/51/536426551.db2.gz QYAUUAPOMDVJGU-LLVKDONJSA-N 2 1 247.346 0.044 10 0 BCAEMP COCC(C)(C)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399116967 583170589 /nfs/dbraw/zinc/17/05/89/583170589.db2.gz GKFHAQSWRIHLJY-UHFFFAOYSA-N 2 1 244.379 0.705 10 0 BCAEMP NC(=O)[C@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000757151812 582536368 /nfs/dbraw/zinc/53/63/68/582536368.db2.gz XQJWIYUFXIRNKC-IVZWLZJFSA-N 2 1 211.309 0.064 10 0 BCAEMP NC(=O)[C@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000757151812 582536370 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[NH3+]Cc1ccc([C@@H]2CCNC[C@@H]2[NH3+])cc1 ZINC000757212954 586439536 /nfs/dbraw/zinc/43/95/36/586439536.db2.gz KKARVTSAVMPMDE-RYUDHWBXSA-N 2 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1ccc([C@H]2C[C@@H]([NH3+])CCN2)cc1 ZINC000757217055 586441128 /nfs/dbraw/zinc/44/11/28/586441128.db2.gz RFKHZKDTPNVOIN-NWDGAFQWSA-N 2 1 205.305 0.897 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2C[C@@H]([NH3+])CCN2)cc1 ZINC000757217056 586441380 /nfs/dbraw/zinc/44/13/80/586441380.db2.gz RFKHZKDTPNVOIN-RYUDHWBXSA-N 2 1 205.305 0.897 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000757219280 586442302 /nfs/dbraw/zinc/44/23/02/586442302.db2.gz WKVSJAKWZBRIHR-NEPJUHHUSA-N 3 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2CCNC[C@@H]2[NH3+])c1 ZINC000757219280 586442304 /nfs/dbraw/zinc/44/23/04/586442304.db2.gz WKVSJAKWZBRIHR-NEPJUHHUSA-N 2 1 205.305 0.550 10 0 BCAEMP C[C@@H]1C[C@H]([C@H]2CC[C@H](C[NH3+])[NH2+]C2)CC[NH2+]1 ZINC000757228461 586442615 /nfs/dbraw/zinc/44/26/15/586442615.db2.gz 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BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000126766264 636025441 /nfs/dbraw/zinc/02/54/41/636025441.db2.gz DJCHWINMGNDUGA-NEPJUHHUSA-N 2 1 230.352 0.441 10 0 BCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CC([NH3+])C1 ZINC000258818080 635205912 /nfs/dbraw/zinc/20/59/12/635205912.db2.gz XWEUEPRZMAAYHQ-VOMCLLRMSA-N 2 1 239.363 0.524 10 0 BCAEMP [NH3+]C1CC[NH+](CCNc2ccccn2)CC1 ZINC000321205893 636584492 /nfs/dbraw/zinc/58/44/92/636584492.db2.gz PPALFNJHDUQVHH-UHFFFAOYSA-N 2 1 220.320 0.917 10 0 BCAEMP C([C@@H]1CCCO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994488 640441947 /nfs/dbraw/zinc/44/19/47/640441947.db2.gz YMZQYZGJDWVYSN-NWDGAFQWSA-N 2 1 210.321 0.851 10 0 BCAEMP CCC[NH2+][C@H](Cn1cc[nH+]c1CC)C(N)=O ZINC000045460502 640566193 /nfs/dbraw/zinc/56/61/93/640566193.db2.gz DCPPRYPBJJICQX-SECBINFHSA-N 2 1 224.308 0.299 10 0 BCAEMP CCc1[nH+]ccn1CC[C@](C)([NH3+])C(=O)OC ZINC000045460661 640566369 /nfs/dbraw/zinc/56/63/69/640566369.db2.gz ZFHNBFFURFXUTJ-NSHDSACASA-N 2 1 225.292 0.726 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226329360 640748297 /nfs/dbraw/zinc/74/82/97/640748297.db2.gz GAGWNAZZAJXHJW-QWHCGFSZSA-N 2 1 244.379 0.833 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650139 640844073 /nfs/dbraw/zinc/84/40/73/640844073.db2.gz SROASJUHWMWNBK-YNEHKIRRSA-N 2 1 223.364 0.907 10 0 BCAEMP CC[NH2+][C@H](CCn1cc[nH+]c1C)C(N)=O ZINC000062535075 641057671 /nfs/dbraw/zinc/05/76/71/641057671.db2.gz UCQGSJAPTIJKHA-SECBINFHSA-N 2 1 210.281 0.045 10 0 BCAEMP Cc1[nH+]ccn1CC[C@H]([NH2+]C(C)C)C(N)=O ZINC000062535163 641058307 /nfs/dbraw/zinc/05/83/07/641058307.db2.gz ZCQHTCFYIBORAU-JTQLQIEISA-N 2 1 224.308 0.434 10 0 BCAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000324457752 641875118 /nfs/dbraw/zinc/87/51/18/641875118.db2.gz XHRRYCRDLXKJMH-VHSXEESVSA-N 2 1 200.326 0.735 10 0 BCAEMP CCS(=O)(=O)CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000233824646 642699915 /nfs/dbraw/zinc/69/99/15/642699915.db2.gz MYAOLAJOYDVRQG-JTQLQIEISA-N 2 1 234.365 0.010 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000069660960 642893527 /nfs/dbraw/zinc/89/35/27/642893527.db2.gz KKOWWNGBLGCSNA-MNOVXSKESA-N 2 1 216.325 0.053 10 0 BCAEMP CC(C)(C[NH3+])CCC[N@H+]1CC[C@H]1C(N)=O ZINC000757141949 643304078 /nfs/dbraw/zinc/30/40/78/643304078.db2.gz FADLYQQJDOWXKS-VIFPVBQESA-N 2 1 213.325 0.311 10 0 BCAEMP CCc1cc(N2CC[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000757144206 643314964 /nfs/dbraw/zinc/31/49/64/643314964.db2.gz IVZDAJPWQKJAHD-SNVBAGLBSA-N 2 1 206.293 0.885 10 0 BCAEMP COC[C@H]1CCOC2(CC[NH+](C)CC2)[NH2+]1 ZINC000757151995 643342697 /nfs/dbraw/zinc/34/26/97/643342697.db2.gz UNVODLZUTYFOKT-SNVBAGLBSA-N 2 1 214.309 0.433 10 0 BCAEMP Cc1[nH+]cn([C@@H](C)C[C@@](C)([NH3+])C(N)=O)c1C ZINC000082800573 643381959 /nfs/dbraw/zinc/38/19/59/643381959.db2.gz FRQBHTCMMAKIJY-WRWORJQWSA-N 2 1 224.308 0.654 10 0 BCAEMP C[NH2+][C@@](Cn1cc[nH+]c1C)(C(N)=O)C1CC1 ZINC000068943096 643432237 /nfs/dbraw/zinc/43/22/37/643432237.db2.gz 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ZINC000381409960 539000414 /nfs/dbraw/zinc/00/04/14/539000414.db2.gz UFJSNEUSQQWQKV-LLVKDONJSA-N 2 1 230.352 0.458 10 0 BCAEMP CCc1[nH+]ccn1[C@H](C)[C@@H]([NH2+]C)C(N)=O ZINC000710717106 539028238 /nfs/dbraw/zinc/02/82/38/539028238.db2.gz GFIUQXFEVZQYEI-VXNVDRBHSA-N 2 1 210.281 0.080 10 0 BCAEMP COC[C@@H](C)[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000219624616 342881238 /nfs/dbraw/zinc/88/12/38/342881238.db2.gz HUPGQZOUQWWFFH-GHMZBOCLSA-N 2 1 200.326 0.953 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322409549 488186225 /nfs/dbraw/zinc/18/62/25/488186225.db2.gz YKOLYSJVWUTLMK-FGNRJIRKSA-N 2 1 239.363 0.855 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484918 342938073 /nfs/dbraw/zinc/93/80/73/342938073.db2.gz HGNHTVFUUXBXAE-ZJUUUORDSA-N 2 1 213.325 0.182 10 0 BCAEMP CC(C)[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000037049224 187250734 /nfs/dbraw/zinc/25/07/34/187250734.db2.gz FCGHRVJGVXIYSX-LBPRGKRZSA-N 2 1 213.369 0.997 10 0 BCAEMP 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ZINC000308579285 347874897 /nfs/dbraw/zinc/87/48/97/347874897.db2.gz OHAKLTQQRSEOLT-UHFFFAOYSA-N 2 1 200.282 0.233 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](CC1CC1)CC[C@H]2O ZINC000725246213 538005003 /nfs/dbraw/zinc/00/50/03/538005003.db2.gz RKNNVQXQMNJFJY-RAIGVLPGSA-N 2 1 224.348 0.689 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000250552764 349174983 /nfs/dbraw/zinc/17/49/83/349174983.db2.gz ANOQWTQHSQDAED-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP Cc1nc(N2CC[NH+](C)CC2)sc1C[NH3+] ZINC000054995348 180002131 /nfs/dbraw/zinc/00/21/31/180002131.db2.gz INIOSYSKIIGWOW-UHFFFAOYSA-N 2 1 226.349 0.662 10 0 BCAEMP COC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309178255 350120866 /nfs/dbraw/zinc/12/08/66/350120866.db2.gz NIHHVJKVETTYJI-SNVBAGLBSA-N 2 1 216.325 0.068 10 0 BCAEMP C[C@H]1C[N@H+](C[C@@]2(N)CCOC2)CCS1 ZINC000220970305 350192282 /nfs/dbraw/zinc/19/22/82/350192282.db2.gz VOOUOJQZMYZMQE-UWVGGRQHSA-N 2 1 216.350 0.542 10 0 BCAEMP C[C@H]1C[N@@H+](C[C@@]2(N)CCOC2)CCS1 ZINC000220970305 350192284 /nfs/dbraw/zinc/19/22/84/350192284.db2.gz VOOUOJQZMYZMQE-UWVGGRQHSA-N 2 1 216.350 0.542 10 0 BCAEMP Cc1nccn1CC[N@H+](C)C1CC[NH2+]CC1 ZINC000049331235 180248371 /nfs/dbraw/zinc/24/83/71/180248371.db2.gz YVDFVQVDLHBLGM-UHFFFAOYSA-N 2 1 222.336 0.875 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=O ZINC000178333764 180265930 /nfs/dbraw/zinc/26/59/30/180265930.db2.gz JKKAESDHJJFTBK-ONGXEEELSA-N 2 1 236.319 0.530 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=O ZINC000178333764 180265933 /nfs/dbraw/zinc/26/59/33/180265933.db2.gz JKKAESDHJJFTBK-ONGXEEELSA-N 2 1 236.319 0.530 10 0 BCAEMP C[C@H]1CN(c2cc3c(nn2)CC[N@@H+](C)C3)CC[NH2+]1 ZINC000725264879 538092982 /nfs/dbraw/zinc/09/29/82/538092982.db2.gz PULVDQQICBZNSO-JTQLQIEISA-N 2 1 247.346 0.263 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226868970 350461766 /nfs/dbraw/zinc/46/17/66/350461766.db2.gz OXQFWAQTUDMMPG-WRWGMCAJSA-N 2 1 239.363 0.441 10 0 BCAEMP Cc1nn(C)cc1[C@H]1[C@H](C[NH3+])CC[N@H+]1C ZINC000082946470 180382251 /nfs/dbraw/zinc/38/22/51/180382251.db2.gz OUZLXPPOTDQXKL-GXSJLCMTSA-N 2 1 208.309 0.680 10 0 BCAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585110 350501941 /nfs/dbraw/zinc/50/19/41/350501941.db2.gz RYKBUFAFXWVOBT-VHSXEESVSA-N 2 1 243.351 0.933 10 0 BCAEMP [NH3+]CCN1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616604467 350793199 /nfs/dbraw/zinc/79/31/99/350793199.db2.gz PRAKFAKRTFAZEF-JTQLQIEISA-N 2 1 208.309 0.938 10 0 BCAEMP OC[C@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000306761912 350988540 /nfs/dbraw/zinc/98/85/40/350988540.db2.gz GHZDSTSBLWNSOD-ZIAGYGMSSA-N 2 1 232.327 0.700 10 0 BCAEMP OC[C@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000306761912 350988542 /nfs/dbraw/zinc/98/85/42/350988542.db2.gz GHZDSTSBLWNSOD-ZIAGYGMSSA-N 2 1 232.327 0.700 10 0 BCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000088050565 351541559 /nfs/dbraw/zinc/54/15/59/351541559.db2.gz YRJHRYJUCAIEFP-JTQLQIEISA-N 2 1 223.320 0.174 10 0 BCAEMP C[C@@H]1[C@@H](O)CCC[N@H+]1CCC(C)(C)[NH3+] ZINC000307253103 351784202 /nfs/dbraw/zinc/78/42/02/351784202.db2.gz UOKXGJFQULGEHT-ZJUUUORDSA-N 2 1 200.326 0.959 10 0 BCAEMP [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1CCC2(C1)OCCO2 ZINC000307278774 351835216 /nfs/dbraw/zinc/83/52/16/351835216.db2.gz VKIQIQLDWQASBH-QWRGUYRKSA-N 2 1 226.320 0.563 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638080814 351953778 /nfs/dbraw/zinc/95/37/78/351953778.db2.gz RBSQFSWVJFIMOA-RYUDHWBXSA-N 2 1 237.347 0.634 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000638088100 351965186 /nfs/dbraw/zinc/96/51/86/351965186.db2.gz YUZAZWQQMLVGEJ-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000638088100 351965189 /nfs/dbraw/zinc/96/51/89/351965189.db2.gz YUZAZWQQMLVGEJ-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@@H]1CNCC[N@H+]1C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270381 538102227 /nfs/dbraw/zinc/10/22/27/538102227.db2.gz LEGUCBCSWDSIKP-IGJPJIBNSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000725270381 538102228 /nfs/dbraw/zinc/10/22/28/538102228.db2.gz LEGUCBCSWDSIKP-IGJPJIBNSA-N 2 1 223.364 0.940 10 0 BCAEMP C1[C@H]2C[NH2+]C[C@@H]1[C@H]1C[C@@H]3[NH2+]CCN[C@@H]3C[C@@H]21 ZINC000725272479 538104210 /nfs/dbraw/zinc/10/42/10/538104210.db2.gz GRZHZITXWVZWSL-QOHPJAFVSA-N 2 1 221.348 0.182 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000040503488 352598394 /nfs/dbraw/zinc/59/83/94/352598394.db2.gz BZTDUBWZLJFUAX-QWRGUYRKSA-N 2 1 225.336 0.339 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300522802 352565651 /nfs/dbraw/zinc/56/56/51/352565651.db2.gz OXQFWAQTUDMMPG-DDHJBXDOSA-N 2 1 239.363 0.441 10 0 BCAEMP CCCC[N@H+](CCO)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273785 538104812 /nfs/dbraw/zinc/10/48/12/538104812.db2.gz GKJGGNXATLMTJR-OLZOCXBDSA-N 2 1 244.379 0.657 10 0 BCAEMP CCCC[N@@H+](CCO)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273785 538104813 /nfs/dbraw/zinc/10/48/13/538104813.db2.gz GKJGGNXATLMTJR-OLZOCXBDSA-N 2 1 244.379 0.657 10 0 BCAEMP C[C@H](C[NH3+])C[N@@H+]1CCC2(C1)OCCO2 ZINC000307645090 352737967 /nfs/dbraw/zinc/73/79/67/352737967.db2.gz WVUIBEAOCUJPLJ-SECBINFHSA-N 2 1 200.282 0.030 10 0 BCAEMP C[C@H](C[NH3+])C[N@H+]1CCC2(C1)OCCO2 ZINC000307645090 352737972 /nfs/dbraw/zinc/73/79/72/352737972.db2.gz WVUIBEAOCUJPLJ-SECBINFHSA-N 2 1 200.282 0.030 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126975350 188047575 /nfs/dbraw/zinc/04/75/75/188047575.db2.gz SAYIPUFGFZZASO-GHMZBOCLSA-N 2 1 227.352 0.522 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000126975350 188047577 /nfs/dbraw/zinc/04/75/77/188047577.db2.gz SAYIPUFGFZZASO-GHMZBOCLSA-N 2 1 227.352 0.522 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])CC[C@@H]1O ZINC000127219473 353265424 /nfs/dbraw/zinc/26/54/24/353265424.db2.gz YJOPRIAPXSQCIU-ZJUUUORDSA-N 2 1 200.326 0.674 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000054134636 188300596 /nfs/dbraw/zinc/30/05/96/188300596.db2.gz QEQFMECIIXMHLA-NWDGAFQWSA-N 2 1 241.379 0.831 10 0 BCAEMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000054243856 188300620 /nfs/dbraw/zinc/30/06/20/188300620.db2.gz YEFRPUMYDXBBLJ-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC000054243856 188300622 /nfs/dbraw/zinc/30/06/22/188300622.db2.gz YEFRPUMYDXBBLJ-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C(C1CC1)[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC000096226207 188321741 /nfs/dbraw/zinc/32/17/41/188321741.db2.gz MRQHDZIQHRNJBA-UHFFFAOYSA-N 2 1 210.321 0.851 10 0 BCAEMP C(C1CC1)[N@H+]1CCOCC12CC[NH2+]CC2 ZINC000096226207 188321743 /nfs/dbraw/zinc/32/17/43/188321743.db2.gz MRQHDZIQHRNJBA-UHFFFAOYSA-N 2 1 210.321 0.851 10 0 BCAEMP CC(C)[C@H]([NH3+])CN(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053247584 188338496 /nfs/dbraw/zinc/33/84/96/188338496.db2.gz BKYNOMLEBYEEPE-VXGBXAGGSA-N 2 1 213.369 0.996 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233482934 353823678 /nfs/dbraw/zinc/82/36/78/353823678.db2.gz PJQJVZOKUIDYHM-GRYCIOLGSA-N 2 1 239.363 0.442 10 0 BCAEMP CO[C@H]1C[C@@H](CN(C)Cc2cnc[nH]2)[N@H+](C)C1 ZINC000344497794 354288498 /nfs/dbraw/zinc/28/84/98/354288498.db2.gz RGGLRQDSOFFYBN-RYUDHWBXSA-N 2 1 238.335 0.561 10 0 BCAEMP CO[C@H]1C[C@@H](CN(C)Cc2cnc[nH]2)[N@@H+](C)C1 ZINC000344497794 354288501 /nfs/dbraw/zinc/28/85/01/354288501.db2.gz RGGLRQDSOFFYBN-RYUDHWBXSA-N 2 1 238.335 0.561 10 0 BCAEMP NC(=[NH2+])c1cccc(C[N@@H+](CCO)C2CC2)c1 ZINC000042479692 181196465 /nfs/dbraw/zinc/19/64/65/181196465.db2.gz URZWLCQKCXIKKI-UHFFFAOYSA-N 2 1 233.315 0.927 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@H]2CCC[C@H]2[NH3+])CC1 ZINC000042438605 181220357 /nfs/dbraw/zinc/22/03/57/181220357.db2.gz HNYKTPQVPFQBSZ-MNOVXSKESA-N 2 1 225.336 0.454 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042438609 181220369 /nfs/dbraw/zinc/22/03/69/181220369.db2.gz NSRVSEUKXSBQSG-NWDGAFQWSA-N 2 1 239.363 0.844 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000167194748 355968617 /nfs/dbraw/zinc/96/86/17/355968617.db2.gz BBNLTPVRYGFARK-WDEREUQCSA-N 2 1 229.368 0.960 10 0 BCAEMP Cc1[nH]ccc(=[NH+]C[C@H]2C[NH2+]C[C@@H]2O)c1Cl ZINC000420249999 192186649 /nfs/dbraw/zinc/18/66/49/192186649.db2.gz YRWKPCVBJISGSG-SCZZXKLOSA-N 2 1 241.722 0.458 10 0 BCAEMP Cc1[nH+]ccn1[C@@H]1CC[C@@]([NH3+])(C(N)=O)C1 ZINC000086626640 538557223 /nfs/dbraw/zinc/55/72/23/538557223.db2.gz XFZMBVXMNHXSET-SCZZXKLOSA-N 2 1 208.265 0.099 10 0 BCAEMP [NH3+]CC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000214973025 538628944 /nfs/dbraw/zinc/62/89/44/538628944.db2.gz LFZGRYQKJFEKSF-CYBMUJFWSA-N 2 1 220.316 0.972 10 0 BCAEMP O=C(NCC[N@H+]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000582605093 357348097 /nfs/dbraw/zinc/34/80/97/357348097.db2.gz YOAXSVUCSGBERV-WDEREUQCSA-N 2 1 241.310 0.065 10 0 BCAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000582605093 357348102 /nfs/dbraw/zinc/34/81/02/357348102.db2.gz YOAXSVUCSGBERV-WDEREUQCSA-N 2 1 241.310 0.065 10 0 BCAEMP CCN1CC[NH+](C2[C@H](C)C[NH2+]C[C@H]2C)CC1 ZINC000685951663 538895283 /nfs/dbraw/zinc/89/52/83/538895283.db2.gz VICUKPZMLAACTQ-VXGBXAGGSA-N 2 1 225.380 0.868 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1([NH3+])CC1 ZINC000086188849 357871770 /nfs/dbraw/zinc/87/17/70/357871770.db2.gz FGUXOAFHEBBJBP-JTQLQIEISA-N 2 1 225.336 0.420 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938728 357944766 /nfs/dbraw/zinc/94/47/66/357944766.db2.gz JYSWJCFHZVZJQS-JHJVBQTASA-N 2 1 244.379 0.533 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624511 358244275 /nfs/dbraw/zinc/24/42/75/358244275.db2.gz BWVKWBPMZUUGLP-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CCCCOC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000227888693 358365255 /nfs/dbraw/zinc/36/52/55/358365255.db2.gz FWSNHLXEDDFSTE-ZDUSSCGKSA-N 2 1 244.379 0.848 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531305 358389381 /nfs/dbraw/zinc/38/93/81/358389381.db2.gz MQFRTFRPYLNHBX-VIFPVBQESA-N 2 1 200.282 0.220 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070100280 359040978 /nfs/dbraw/zinc/04/09/78/359040978.db2.gz QJEKGRNXYZKLGN-OLZOCXBDSA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000070100280 359040980 /nfs/dbraw/zinc/04/09/80/359040980.db2.gz QJEKGRNXYZKLGN-OLZOCXBDSA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070100280 359040982 /nfs/dbraw/zinc/04/09/82/359040982.db2.gz QJEKGRNXYZKLGN-OLZOCXBDSA-N 2 1 244.379 0.656 10 0 BCAEMP COC1CC([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000309978061 491159266 /nfs/dbraw/zinc/15/92/66/491159266.db2.gz USSBLJFLOOQDAD-KPPDAEKUSA-N 2 1 221.304 0.965 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000052183337 181358604 /nfs/dbraw/zinc/35/86/04/181358604.db2.gz BTLMRVVSIRKHOV-LLVKDONJSA-N 2 1 228.336 0.199 10 0 BCAEMP [NH3+]CCCC[N@H+]1CCCC[C@@H]1CCO ZINC000019265008 181376833 /nfs/dbraw/zinc/37/68/33/181376833.db2.gz PFFBIRCRTSHODG-LLVKDONJSA-N 2 1 200.326 0.962 10 0 BCAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC000104320929 181385799 /nfs/dbraw/zinc/38/57/99/181385799.db2.gz FMASWXAROVWQKN-NSHDSACASA-N 2 1 240.351 0.215 10 0 BCAEMP [NH3+]CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000117066778 181396278 /nfs/dbraw/zinc/39/62/78/181396278.db2.gz AEPQIARJKCOBRE-UHFFFAOYSA-N 2 1 207.281 0.669 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CS1 ZINC000399082638 365395240 /nfs/dbraw/zinc/39/52/40/365395240.db2.gz SLUPWCNEJDOSEM-PWSUYJOCSA-N 2 1 244.404 0.927 10 0 BCAEMP C[C@H]1OCC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000382236780 367500891 /nfs/dbraw/zinc/50/08/91/367500891.db2.gz QQNUBSUUHICSOG-YUSALJHKSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000382236780 367500905 /nfs/dbraw/zinc/50/09/05/367500905.db2.gz QQNUBSUUHICSOG-YUSALJHKSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000382236780 367500912 /nfs/dbraw/zinc/50/09/12/367500912.db2.gz QQNUBSUUHICSOG-YUSALJHKSA-N 2 1 228.336 0.209 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587571 /nfs/dbraw/zinc/58/75/71/367587571.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587579 /nfs/dbraw/zinc/58/75/79/367587579.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587586 /nfs/dbraw/zinc/58/75/86/367587586.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587591 /nfs/dbraw/zinc/58/75/91/367587591.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587594 /nfs/dbraw/zinc/58/75/94/367587594.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587599 /nfs/dbraw/zinc/58/75/99/367587599.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000581555895 367587605 /nfs/dbraw/zinc/58/76/05/367587605.db2.gz AOIRLPBHJNTGAL-WOPDTQHZSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](O)[C@H]1C ZINC000385050231 367778377 /nfs/dbraw/zinc/77/83/77/367778377.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385050231 367778378 /nfs/dbraw/zinc/77/83/78/367778378.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000385050231 367778382 /nfs/dbraw/zinc/77/83/82/367778382.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)[C@H]1C ZINC000385050231 367778383 /nfs/dbraw/zinc/77/83/83/367778383.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](O)[C@H]1C ZINC000385050231 367778385 /nfs/dbraw/zinc/77/83/85/367778385.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000385050231 367778386 /nfs/dbraw/zinc/77/83/86/367778386.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](O)[C@H]1C ZINC000385050231 367778388 /nfs/dbraw/zinc/77/83/88/367778388.db2.gz SLDBBFATGZGYHJ-WOPDTQHZSA-N 2 1 230.352 0.144 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@@]1(C)C[NH3+] ZINC000385636421 367849741 /nfs/dbraw/zinc/84/97/41/367849741.db2.gz UCFUPWAIPALCMS-ZWNOBZJWSA-N 2 1 249.362 0.964 10 0 BCAEMP C[C@@H]1C[NH2+]CCC[N@H+](CC[S@](C)=O)C1 ZINC000252932837 368168579 /nfs/dbraw/zinc/16/85/79/368168579.db2.gz CJQUGCOSVXCBLG-YGRLFVJLSA-N 2 1 218.366 0.296 10 0 BCAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC[S@](C)=O)C1 ZINC000252932837 368168586 /nfs/dbraw/zinc/16/85/86/368168586.db2.gz CJQUGCOSVXCBLG-YGRLFVJLSA-N 2 1 218.366 0.296 10 0 BCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000631838984 369123381 /nfs/dbraw/zinc/12/33/81/369123381.db2.gz XZSSSQYDWUNANU-MNOVXSKESA-N 2 1 225.336 0.135 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000631838984 369123386 /nfs/dbraw/zinc/12/33/86/369123386.db2.gz XZSSSQYDWUNANU-MNOVXSKESA-N 2 1 225.336 0.135 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843364 369374254 /nfs/dbraw/zinc/37/42/54/369374254.db2.gz MVVCZWBBKKFDMO-DCAQKATOSA-N 2 1 227.352 0.428 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843364 369374256 /nfs/dbraw/zinc/37/42/56/369374256.db2.gz MVVCZWBBKKFDMO-DCAQKATOSA-N 2 1 227.352 0.428 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843367 369375160 /nfs/dbraw/zinc/37/51/60/369375160.db2.gz MVVCZWBBKKFDMO-VWYCJHECSA-N 2 1 227.352 0.428 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843367 369375164 /nfs/dbraw/zinc/37/51/64/369375164.db2.gz MVVCZWBBKKFDMO-VWYCJHECSA-N 2 1 227.352 0.428 10 0 BCAEMP O[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624239745 371428940 /nfs/dbraw/zinc/42/89/40/371428940.db2.gz SLVOLXJMCKGYBS-QWHCGFSZSA-N 2 1 240.347 0.353 10 0 BCAEMP CCN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837414 372619178 /nfs/dbraw/zinc/61/91/78/372619178.db2.gz BFMLDRHXJPSITJ-MNOVXSKESA-N 2 1 227.352 0.381 10 0 BCAEMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840233 372636946 /nfs/dbraw/zinc/63/69/46/372636946.db2.gz AYZJHZQQONHPHK-FIQHERPVSA-N 2 1 241.379 0.816 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000631840840 372637683 /nfs/dbraw/zinc/63/76/83/372637683.db2.gz FYWZKVBBVHYNOX-GXFFZTMASA-N 2 1 247.342 0.812 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000631840839 372638484 /nfs/dbraw/zinc/63/84/84/372638484.db2.gz FYWZKVBBVHYNOX-GWCFXTLKSA-N 2 1 247.342 0.812 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843205 372640173 /nfs/dbraw/zinc/64/01/73/372640173.db2.gz KKXWFUZUQRUMQM-VHSXEESVSA-N 2 1 213.325 0.038 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843205 372640178 /nfs/dbraw/zinc/64/01/78/372640178.db2.gz KKXWFUZUQRUMQM-VHSXEESVSA-N 2 1 213.325 0.038 10 0 BCAEMP C[C@@H]1CCC[N@H+](CC(C)(C)O)[C@@H]1C[NH3+] ZINC000069727316 373660674 /nfs/dbraw/zinc/66/06/74/373660674.db2.gz GZJCTSLYSHROOV-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CC(C)(C)O)[C@@H]1C[NH3+] ZINC000069727316 373660683 /nfs/dbraw/zinc/66/06/83/373660683.db2.gz GZJCTSLYSHROOV-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP CCC[NH+]1CCC([NH2+]CC2CC2)(C(N)=O)CC1 ZINC000038000870 169187800 /nfs/dbraw/zinc/18/78/00/169187800.db2.gz UMWSNRYVYSMHGZ-UHFFFAOYSA-N 2 1 239.363 0.716 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000019508915 169201924 /nfs/dbraw/zinc/20/19/24/169201924.db2.gz HTFSDFNGBIMUDK-GFCCVEGCSA-N 2 1 241.379 0.914 10 0 BCAEMP CCCNC(=O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020043135 169226062 /nfs/dbraw/zinc/22/60/62/169226062.db2.gz SKJFHTFRCUAHEV-UHFFFAOYSA-N 2 1 229.368 0.690 10 0 BCAEMP CCC[NH2+][C@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000049648948 169292031 /nfs/dbraw/zinc/29/20/31/169292031.db2.gz VAAMQCSRIRQNLT-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CCC[C@@H](CCC[NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000076624036 169381913 /nfs/dbraw/zinc/38/19/13/169381913.db2.gz CZICWYWVJUYACT-LBPRGKRZSA-N 2 1 241.379 0.916 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000037827023 169388438 /nfs/dbraw/zinc/38/84/38/169388438.db2.gz GKAYHISFZVFGLX-LLVKDONJSA-N 2 1 225.336 0.420 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070534453 383935667 /nfs/dbraw/zinc/93/56/67/383935667.db2.gz XJSHNLRNDCIBPB-ZJUUUORDSA-N 2 1 214.309 0.609 10 0 BCAEMP c1cc2c(nc[nH+]c2NC[C@H]2C[NH2+]CCOC2)[nH]1 ZINC000072171412 384198801 /nfs/dbraw/zinc/19/88/01/384198801.db2.gz YVYBPVHLDAFCIA-SECBINFHSA-N 2 1 247.302 0.606 10 0 BCAEMP C[N@@H+](CC(=O)c1cnccn1)CC1CC[NH2+]CC1 ZINC000095071331 384341382 /nfs/dbraw/zinc/34/13/82/384341382.db2.gz YHABTAAUBQRYNS-UHFFFAOYSA-N 2 1 248.330 0.591 10 0 BCAEMP C[N@H+](CC(=O)c1cnccn1)CC1CC[NH2+]CC1 ZINC000095071331 384341384 /nfs/dbraw/zinc/34/13/84/384341384.db2.gz YHABTAAUBQRYNS-UHFFFAOYSA-N 2 1 248.330 0.591 10 0 BCAEMP [NH3+][C@@H](CCO)C1C[NH+](Cc2ccccc2)C1 ZINC000095077248 384353896 /nfs/dbraw/zinc/35/38/96/384353896.db2.gz XQEDXOQECLOYJX-ZDUSSCGKSA-N 2 1 220.316 0.828 10 0 BCAEMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000335657999 384460028 /nfs/dbraw/zinc/46/00/28/384460028.db2.gz RDCJHWQVJFRSPN-ZYHUDNBSSA-N 2 1 237.347 0.434 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000236809350 384574297 /nfs/dbraw/zinc/57/42/97/384574297.db2.gz SDNZCQQHRMPHDH-NEPJUHHUSA-N 2 1 241.379 0.914 10 0 BCAEMP COC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000375876891 384825584 /nfs/dbraw/zinc/82/55/84/384825584.db2.gz REMXPJPDNBSESZ-UWVGGRQHSA-N 2 1 209.293 0.822 10 0 BCAEMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000310022745 384789547 /nfs/dbraw/zinc/78/95/47/384789547.db2.gz OCYHWLIGXGHNCT-BDAKNGLRSA-N 2 1 222.292 0.051 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccno3)C[C@@H]12 ZINC000309011639 385059971 /nfs/dbraw/zinc/05/99/71/385059971.db2.gz XHONWMVPTLQFTR-JMJZKYOTSA-N 2 1 207.277 0.844 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccno3)C[C@@H]12 ZINC000309011639 385059978 /nfs/dbraw/zinc/05/99/78/385059978.db2.gz XHONWMVPTLQFTR-JMJZKYOTSA-N 2 1 207.277 0.844 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157214054 385114209 /nfs/dbraw/zinc/11/42/09/385114209.db2.gz QKSVAGYOOWWSCE-NWDGAFQWSA-N 2 1 239.363 0.729 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000227801031 385245709 /nfs/dbraw/zinc/24/57/09/385245709.db2.gz OZRHZZTZRBUMRX-VHSXEESVSA-N 2 1 225.336 0.324 10 0 BCAEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000259336858 385283718 /nfs/dbraw/zinc/28/37/18/385283718.db2.gz XZKUOACKUOHNFE-WDEREUQCSA-N 2 1 225.336 0.054 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000054075167 385595209 /nfs/dbraw/zinc/59/52/09/385595209.db2.gz VSXQAZDAFREIJB-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000054075167 385595213 /nfs/dbraw/zinc/59/52/13/385595213.db2.gz VSXQAZDAFREIJB-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC[N@H+]1C ZINC000132932292 386260408 /nfs/dbraw/zinc/26/04/08/386260408.db2.gz LQRNZVNQSURALF-WISYIIOYSA-N 2 1 239.363 0.713 10 0 BCAEMP [NH3+][C@@H]1CCO[C@@H]1C[NH+]1CCSCC1 ZINC000575450359 386785513 /nfs/dbraw/zinc/78/55/13/386785513.db2.gz LFWIJAATZBPZBA-RKDXNWHRSA-N 2 1 202.323 0.151 10 0 BCAEMP C[C@H]([NH3+])[C@H]1CCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000127367574 387117089 /nfs/dbraw/zinc/11/70/89/387117089.db2.gz QHNDENSOYXTABU-UWVGGRQHSA-N 2 1 235.335 0.716 10 0 BCAEMP CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503637 387836240 /nfs/dbraw/zinc/83/62/40/387836240.db2.gz JFXCAGRZGXVKIM-UWVGGRQHSA-N 2 1 213.325 0.324 10 0 BCAEMP CC(C)[C@H]([NH3+])CNc1cc[nH+]c(N(C)C)n1 ZINC000082924395 388043104 /nfs/dbraw/zinc/04/31/04/388043104.db2.gz IIIGOWMHWJIONL-SECBINFHSA-N 2 1 223.324 0.938 10 0 BCAEMP C[NH2+]CC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000085432128 388088956 /nfs/dbraw/zinc/08/89/56/388088956.db2.gz UNGBDLVIGPCKOH-UHFFFAOYSA-N 2 1 249.362 0.978 10 0 BCAEMP C[C@@H]1COC[C@H](C)[N@H+]1CCN1CC[NH2+]CC1 ZINC000573001467 388404415 /nfs/dbraw/zinc/40/44/15/388404415.db2.gz QHYUTZWQJLKGQW-TXEJJXNPSA-N 2 1 227.352 0.001 10 0 BCAEMP C[C@@H]1COC[C@H](C)[N@@H+]1CCN1CC[NH2+]CC1 ZINC000573001467 388404417 /nfs/dbraw/zinc/40/44/17/388404417.db2.gz QHYUTZWQJLKGQW-TXEJJXNPSA-N 2 1 227.352 0.001 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000300409349 388367350 /nfs/dbraw/zinc/36/73/50/388367350.db2.gz XTIRGYJAMOJPTL-UTUOFQBUSA-N 2 1 239.363 0.572 10 0 BCAEMP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)[NH+](C)C ZINC000164061964 388373204 /nfs/dbraw/zinc/37/32/04/388373204.db2.gz AAYMFRQMVTVEJG-RYUDHWBXSA-N 2 1 241.379 0.927 10 0 BCAEMP CO[C@H]1C[C@@H](CO)[N@H+](CCn2cc[nH+]c2C)C1 ZINC000344725106 388509218 /nfs/dbraw/zinc/50/92/18/388509218.db2.gz SCJVNPLRFCWUHG-RYUDHWBXSA-N 2 1 239.319 0.273 10 0 BCAEMP CO[C@H]1C[C@@H](CO)[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000344725106 388509221 /nfs/dbraw/zinc/50/92/21/388509221.db2.gz SCJVNPLRFCWUHG-RYUDHWBXSA-N 2 1 239.319 0.273 10 0 BCAEMP Cc1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cnn1C ZINC000261551842 388643213 /nfs/dbraw/zinc/64/32/13/388643213.db2.gz MKQXIYHTZBWIQI-DRZSPHRISA-N 2 1 234.347 0.898 10 0 BCAEMP 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0.941 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000250196561 135050200 /nfs/dbraw/zinc/05/02/00/135050200.db2.gz AXWPSOHNQKUUOI-VHSXEESVSA-N 2 1 213.325 0.324 10 0 BCAEMP Oc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000086729176 135096086 /nfs/dbraw/zinc/09/60/86/135096086.db2.gz PNSSKDFFLNVQCF-NSHDSACASA-N 2 1 206.289 0.886 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000253195496 135124000 /nfs/dbraw/zinc/12/40/00/135124000.db2.gz QFPXZSZWQIAVIC-IJLUTSLNSA-N 2 1 212.337 0.689 10 0 BCAEMP CC(C)(O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261529492 135155483 /nfs/dbraw/zinc/15/54/83/135155483.db2.gz SPICBADPRIVDQL-SECBINFHSA-N 2 1 200.326 0.817 10 0 BCAEMP C[N@@H+](CC1CC(O)C1)C[C@@H]1CCC[NH2+]C1 ZINC000087647886 135160685 /nfs/dbraw/zinc/16/06/85/135160685.db2.gz NKYBONHDVHIYFO-VOMCLLRMSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000261531519 135161231 /nfs/dbraw/zinc/16/12/31/135161231.db2.gz GWOBZMNSDWPLQK-UTLUCORTSA-N 2 1 213.325 0.132 10 0 BCAEMP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000261531519 135161233 /nfs/dbraw/zinc/16/12/33/135161233.db2.gz GWOBZMNSDWPLQK-UTLUCORTSA-N 2 1 213.325 0.132 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]12 ZINC000261532010 135162105 /nfs/dbraw/zinc/16/21/05/135162105.db2.gz ISNXHPUIOQQBPL-WHOHXGKFSA-N 2 1 210.321 0.692 10 0 BCAEMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261540699 135179822 /nfs/dbraw/zinc/17/98/22/135179822.db2.gz AIXFKEBIGHAMGV-SDDRHHMPSA-N 2 1 239.363 0.524 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261541552 135181938 /nfs/dbraw/zinc/18/19/38/135181938.db2.gz BHQAISVPGMWZLQ-VXGBXAGGSA-N 2 1 239.363 0.729 10 0 BCAEMP Cc1ncsc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000261542023 135182545 /nfs/dbraw/zinc/18/25/45/135182545.db2.gz GIPDUDMBNQMOMM-IUCAKERBSA-N 2 1 227.333 0.121 10 0 BCAEMP Cc1ncsc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000261542022 135182705 /nfs/dbraw/zinc/18/27/05/135182705.db2.gz GIPDUDMBNQMOMM-DTWKUNHWSA-N 2 1 227.333 0.121 10 0 BCAEMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261543609 135184988 /nfs/dbraw/zinc/18/49/88/135184988.db2.gz DBXUXCPKPZNTFR-SRVKXCTJSA-N 2 1 239.363 0.428 10 0 BCAEMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261543609 135184989 /nfs/dbraw/zinc/18/49/89/135184989.db2.gz DBXUXCPKPZNTFR-SRVKXCTJSA-N 2 1 239.363 0.428 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544923 135185934 /nfs/dbraw/zinc/18/59/34/135185934.db2.gz FGOKOAJBPLLCDK-NNYUYHANSA-N 2 1 239.363 0.570 10 0 BCAEMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544684 135185964 /nfs/dbraw/zinc/18/59/64/135185964.db2.gz FEAZMQSRWHXDEH-UHTWSYAYSA-N 2 1 234.347 0.898 10 0 BCAEMP C[C@]1(C[N@H+]2CC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000261550569 135188915 /nfs/dbraw/zinc/18/89/15/135188915.db2.gz PNZATOBDICAGHZ-RYUDHWBXSA-N 2 1 212.337 0.690 10 0 BCAEMP 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/nfs/dbraw/zinc/21/16/40/135211640.db2.gz FZPPJRLUDJPIAU-WCQGTBRESA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1nccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261568932 135211642 /nfs/dbraw/zinc/21/16/42/135211642.db2.gz FZPPJRLUDJPIAU-WCQGTBRESA-N 2 1 220.320 0.589 10 0 BCAEMP CN(C)c1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc[nH+]1 ZINC000261569828 135212343 /nfs/dbraw/zinc/21/23/43/135212343.db2.gz KBKISVLNFSBBET-MNOVXSKESA-N 2 1 247.346 0.731 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261577069 135218780 /nfs/dbraw/zinc/21/87/80/135218780.db2.gz KVSNXSHLXPISNN-LBPRGKRZSA-N 2 1 227.352 0.524 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261577069 135218781 /nfs/dbraw/zinc/21/87/81/135218781.db2.gz KVSNXSHLXPISNN-LBPRGKRZSA-N 2 1 227.352 0.524 10 0 BCAEMP CN(C)c1nc(N2CC[C@@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC000261581267 135222411 /nfs/dbraw/zinc/22/24/11/135222411.db2.gz QMMWBPZYFFRSBC-CYBMUJFWSA-N 2 1 247.346 0.732 10 0 BCAEMP COCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261594801 135234776 /nfs/dbraw/zinc/23/47/76/135234776.db2.gz XSOBZODVRJDYHX-QJPTWQEYSA-N 2 1 228.336 0.319 10 0 BCAEMP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261656334 135243396 /nfs/dbraw/zinc/24/33/96/135243396.db2.gz HTVNFDHBRONIJU-YPMHNXCESA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261656334 135243398 /nfs/dbraw/zinc/24/33/98/135243398.db2.gz HTVNFDHBRONIJU-YPMHNXCESA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@]1(C[NH3+])CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261656328 135243603 /nfs/dbraw/zinc/24/36/03/135243603.db2.gz HTVNFDHBRONIJU-DGCLKSJQSA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@]1(C[NH3+])CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000261656328 135243604 /nfs/dbraw/zinc/24/36/04/135243604.db2.gz HTVNFDHBRONIJU-DGCLKSJQSA-N 2 1 237.347 0.420 10 0 BCAEMP c1nnc([C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000261766548 135251691 /nfs/dbraw/zinc/25/16/91/135251691.db2.gz DISXVAWYHSARCX-RYUDHWBXSA-N 2 1 249.362 0.984 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H](C)[NH3+] ZINC000261791864 135253485 /nfs/dbraw/zinc/25/34/85/135253485.db2.gz KIZZDRGEKWJHDH-QJPTWQEYSA-N 2 1 239.363 0.809 10 0 BCAEMP C[C@@]1(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)CC[NH2+]C1 ZINC000261914103 135262286 /nfs/dbraw/zinc/26/22/86/135262286.db2.gz YXHIUOVTUPRXHI-WCQYABFASA-N 2 1 249.362 0.984 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000261949889 135264888 /nfs/dbraw/zinc/26/48/88/135264888.db2.gz FVFGISMIKJCROX-RNJOBUHISA-N 3 1 223.364 0.655 10 0 BCAEMP C[C@]1(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC[NH2+]C1 ZINC000261949889 135264890 /nfs/dbraw/zinc/26/48/90/135264890.db2.gz FVFGISMIKJCROX-RNJOBUHISA-N 2 1 223.364 0.655 10 0 BCAEMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000261948635 135265522 /nfs/dbraw/zinc/26/55/22/135265522.db2.gz NPXQPWDPPJFLKZ-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000261948635 135265524 /nfs/dbraw/zinc/26/55/24/135265524.db2.gz NPXQPWDPPJFLKZ-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP OCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000261958658 135265942 /nfs/dbraw/zinc/26/59/42/135265942.db2.gz OXWLXIDWTPYJEB-GFCCVEGCSA-N 2 1 242.363 0.459 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262108863 135279613 /nfs/dbraw/zinc/27/96/13/135279613.db2.gz VNEVTVDTIYXOMZ-LLVKDONJSA-N 2 1 241.379 0.912 10 0 BCAEMP CCc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262150116 135282023 /nfs/dbraw/zinc/28/20/23/135282023.db2.gz RCEGXEFEDJKGNN-SCZZXKLOSA-N 2 1 241.360 0.375 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000262544788 135305388 /nfs/dbraw/zinc/30/53/88/135305388.db2.gz ZOCDQILURJUOOU-GHMZBOCLSA-N 2 1 227.352 0.714 10 0 BCAEMP Cc1ncccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263122463 135334260 /nfs/dbraw/zinc/33/42/60/135334260.db2.gz BAXVIHSFZMBHDC-NWDGAFQWSA-N 2 1 221.304 0.060 10 0 BCAEMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224161 135340980 /nfs/dbraw/zinc/34/09/80/135340980.db2.gz MNVLKWBBGGSPTO-DGCLKSJQSA-N 2 1 236.315 0.365 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000263270642 135343432 /nfs/dbraw/zinc/34/34/32/135343432.db2.gz SCNCVMOTAPMGJJ-WCQYABFASA-N 2 1 246.314 0.233 10 0 BCAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1C[NH2+]C1 ZINC000263331711 135347138 /nfs/dbraw/zinc/34/71/38/135347138.db2.gz VCGGZYHMPFKREF-LBPRGKRZSA-N 2 1 239.363 0.587 10 0 BCAEMP F[C@H]1COCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000146016898 398014403 /nfs/dbraw/zinc/01/44/03/398014403.db2.gz CQVABQWSZBOBLN-VHSXEESVSA-N 2 1 202.273 0.455 10 0 BCAEMP CC[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037623249 398023885 /nfs/dbraw/zinc/02/38/85/398023885.db2.gz FNZBKUXHAHJUPC-UHFFFAOYSA-N 2 1 239.363 0.668 10 0 BCAEMP O=C(CCC1C[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638107282 398076524 /nfs/dbraw/zinc/07/65/24/398076524.db2.gz GSRGFKJCCFETTE-GFCCVEGCSA-N 2 1 237.347 0.293 10 0 BCAEMP CN(C)c1nc(NCCC2CC[NH2+]CC2)cc[nH+]1 ZINC000650311185 398095493 /nfs/dbraw/zinc/09/54/93/398095493.db2.gz QSROVDKSUHBXAM-UHFFFAOYSA-N 2 1 249.362 0.766 10 0 BCAEMP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000054048580 167038630 /nfs/dbraw/zinc/03/86/30/167038630.db2.gz GRHVQXFFGBUMLR-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000054048580 167038633 /nfs/dbraw/zinc/03/86/33/167038633.db2.gz GRHVQXFFGBUMLR-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000054048581 167038824 /nfs/dbraw/zinc/03/88/24/167038824.db2.gz GRHVQXFFGBUMLR-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000054048581 167038828 /nfs/dbraw/zinc/03/88/28/167038828.db2.gz GRHVQXFFGBUMLR-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245777 167094517 /nfs/dbraw/zinc/09/45/17/167094517.db2.gz GIAGNKGZPHEBAG-LLVKDONJSA-N 2 1 227.352 0.537 10 0 BCAEMP COCC[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000049665419 174313603 /nfs/dbraw/zinc/31/36/03/174313603.db2.gz SFTHUMNDOQITPI-MNOVXSKESA-N 2 1 200.326 0.953 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000662265792 409561733 /nfs/dbraw/zinc/56/17/33/409561733.db2.gz IOOSESDSIFEJSY-QCNOEVLYSA-N 2 1 237.347 0.276 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000040673727 410886808 /nfs/dbraw/zinc/88/68/08/410886808.db2.gz DJRVIXDTXWMLPN-ZJUUUORDSA-N 2 1 213.325 0.324 10 0 BCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000246449458 167031292 /nfs/dbraw/zinc/03/12/92/167031292.db2.gz OOZGOFOQFNZKJU-IJLUTSLNSA-N 2 1 239.363 0.583 10 0 BCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000246449443 167031516 /nfs/dbraw/zinc/03/15/16/167031516.db2.gz OOZGOFOQFNZKJU-GRYCIOLGSA-N 2 1 239.363 0.583 10 0 BCAEMP CC(C)[NH2+]C1(CO)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000038115660 167094238 /nfs/dbraw/zinc/09/42/38/167094238.db2.gz NFYZRBHSUBXXTN-FOSCPWQOSA-N 2 1 212.337 0.972 10 0 BCAEMP CC(C)[NH2+]C1(CO)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038115660 167094241 /nfs/dbraw/zinc/09/42/41/167094241.db2.gz NFYZRBHSUBXXTN-FOSCPWQOSA-N 2 1 212.337 0.972 10 0 BCAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000053031489 167115717 /nfs/dbraw/zinc/11/57/17/167115717.db2.gz PANZLOHOYZUNMP-CHWSQXEVSA-N 2 1 242.363 0.722 10 0 BCAEMP CC(C)[NH2+][C@H](CCO)[C@@H]1CCCC[NH2+]1 ZINC000095088316 167138520 /nfs/dbraw/zinc/13/85/20/167138520.db2.gz UUASSAQXYVIEGB-WDEREUQCSA-N 2 1 200.326 0.878 10 0 BCAEMP CC(C)[C@@H](C[NH3+])N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053206257 167396557 /nfs/dbraw/zinc/39/65/57/167396557.db2.gz RQIDAFRTIRXCAD-VXGBXAGGSA-N 2 1 213.369 0.996 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538898 411137139 /nfs/dbraw/zinc/13/71/39/411137139.db2.gz RWYFXNVGNQFAJG-NWDGAFQWSA-N 2 1 241.379 0.818 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000128946852 411194289 /nfs/dbraw/zinc/19/42/89/411194289.db2.gz ZJYJWSWPQHMMME-QWRGUYRKSA-N 2 1 227.352 0.428 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000040503670 411328413 /nfs/dbraw/zinc/32/84/13/411328413.db2.gz QHFFWCPKTPKGFT-NSHDSACASA-N 2 1 239.363 0.858 10 0 BCAEMP CN(C)c1nc(N(C)CC(C)(C)[NH3+])cc[nH+]1 ZINC000656609234 411307730 /nfs/dbraw/zinc/30/77/30/411307730.db2.gz UDIYQMXOLNICJX-UHFFFAOYSA-N 2 1 223.324 0.716 10 0 BCAEMP CC[N@H+]1CC[C@H](CN2CC[C@H]([NH2+]C)C2=O)C1 ZINC000049648811 170015589 /nfs/dbraw/zinc/01/55/89/170015589.db2.gz XUXPXBSUTWMYJJ-QWRGUYRKSA-N 2 1 225.336 0.149 10 0 BCAEMP CCNC(=O)C[N@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037758040 170055039 /nfs/dbraw/zinc/05/50/39/170055039.db2.gz MGKDTUFYHFAEQE-UHFFFAOYSA-N 2 1 235.331 0.713 10 0 BCAEMP CCNC(=O)C[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037758040 170055040 /nfs/dbraw/zinc/05/50/40/170055040.db2.gz MGKDTUFYHFAEQE-UHFFFAOYSA-N 2 1 235.331 0.713 10 0 BCAEMP CCNC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000049726156 170055856 /nfs/dbraw/zinc/05/58/56/170055856.db2.gz YZLGFVXPAFJIOB-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071997 170087769 /nfs/dbraw/zinc/08/77/69/170087769.db2.gz RNIAQRVHSLANTR-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000062071999 170095049 /nfs/dbraw/zinc/09/50/49/170095049.db2.gz RNIAQRVHSLANTR-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000061298265 170107254 /nfs/dbraw/zinc/10/72/54/170107254.db2.gz HAHGGUYAJWKEMR-SNVBAGLBSA-N 2 1 227.352 0.585 10 0 BCAEMP CC[NH2+]CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000044650278 170109338 /nfs/dbraw/zinc/10/93/38/170109338.db2.gz NSVDKHZQGLOQOC-NSHDSACASA-N 2 1 225.336 0.293 10 0 BCAEMP CC[NH2+]CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000044650278 170109340 /nfs/dbraw/zinc/10/93/40/170109340.db2.gz NSVDKHZQGLOQOC-NSHDSACASA-N 2 1 225.336 0.293 10 0 BCAEMP CC[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000061266912 170118779 /nfs/dbraw/zinc/11/87/79/170118779.db2.gz ZYBCBYQHTLIKHG-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C[C@@H](O)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615924 170119387 /nfs/dbraw/zinc/11/93/87/170119387.db2.gz NXMHNEQMKJTRJL-WCQYABFASA-N 2 1 244.379 0.704 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189537 170138886 /nfs/dbraw/zinc/13/88/86/170138886.db2.gz HIKGMUSMJYZZND-RYUDHWBXSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061274405 170156890 /nfs/dbraw/zinc/15/68/90/170156890.db2.gz TWJZHBRRVYFPRG-GHMZBOCLSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000104414858 170159388 /nfs/dbraw/zinc/15/93/88/170159388.db2.gz PXVCVRLABNZLJH-OLZOCXBDSA-N 2 1 244.379 0.705 10 0 BCAEMP CC[NH2+][C@H](CC[NH+]1C[C@@H](C)C[C@H](C)C1)C(N)=O ZINC000062439401 170161649 /nfs/dbraw/zinc/16/16/49/170161649.db2.gz JTUXEBBWONDJIG-SDDRHHMPSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000049648944 170167975 /nfs/dbraw/zinc/16/79/75/170167975.db2.gz XSDAOKGSQIFBNM-QWRGUYRKSA-N 2 1 225.336 0.291 10 0 BCAEMP CCOCCC[N@@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886679 170374616 /nfs/dbraw/zinc/37/46/16/170374616.db2.gz FCXBVFOTDAWDCR-LLVKDONJSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@H+]1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000011886679 170374618 /nfs/dbraw/zinc/37/46/18/170374618.db2.gz FCXBVFOTDAWDCR-LLVKDONJSA-N 2 1 230.352 0.851 10 0 BCAEMP CC[C@@H](C[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000076608140 170821783 /nfs/dbraw/zinc/82/17/83/170821783.db2.gz QLHWCOBLAWPTBZ-SNVBAGLBSA-N 2 1 213.325 0.135 10 0 BCAEMP CC[C@@H]1CN(C(=O)C2CC[NH2+]CC2)CC[N@H+]1C ZINC000104134948 171062273 /nfs/dbraw/zinc/06/22/73/171062273.db2.gz PZQDAIMEGSWWGK-GFCCVEGCSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC[N@H+]1C ZINC000104140201 171069682 /nfs/dbraw/zinc/06/96/82/171069682.db2.gz WNUYLVCGWFUBFM-DGCLKSJQSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[C@@H]1C[N@H+](C[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000104321344 171085593 /nfs/dbraw/zinc/08/55/93/171085593.db2.gz JKPROBHTOJZEPN-CHWSQXEVSA-N 2 1 242.363 0.853 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@]2(C[NH3+])CCCOC2)CCO1 ZINC000104321344 171085595 /nfs/dbraw/zinc/08/55/95/171085595.db2.gz JKPROBHTOJZEPN-CHWSQXEVSA-N 2 1 242.363 0.853 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261551627 171085710 /nfs/dbraw/zinc/08/57/10/171085710.db2.gz QPYSHSSYWAPYDG-IJLUTSLNSA-N 2 1 212.337 0.689 10 0 BCAEMP CC[C@@H]1COCC[N@@H+]1C[C@]1(C[NH3+])CCOC1 ZINC000051248518 171105101 /nfs/dbraw/zinc/10/51/01/171105101.db2.gz INMCFHIMUSPNFQ-VXGBXAGGSA-N 2 1 228.336 0.463 10 0 BCAEMP CC[C@@H]1COCC[N@H+]1C[C@]1(C[NH3+])CCOC1 ZINC000051248518 171105103 /nfs/dbraw/zinc/10/51/03/171105103.db2.gz INMCFHIMUSPNFQ-VXGBXAGGSA-N 2 1 228.336 0.463 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226396497 171306596 /nfs/dbraw/zinc/30/65/96/171306596.db2.gz XVWKYZZCNUDTHW-QJPTWQEYSA-N 2 1 241.379 0.960 10 0 BCAEMP CC[C@H](C)[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643482 171339091 /nfs/dbraw/zinc/33/90/91/171339091.db2.gz XTHVMRVOEJUAOT-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000662460083 412182547 /nfs/dbraw/zinc/18/25/47/412182547.db2.gz PSZASMAIFRHLAU-SRVKXCTJSA-N 2 1 239.363 0.680 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000662486349 412189176 /nfs/dbraw/zinc/18/91/76/412189176.db2.gz AMSUUHUGLQHQMG-VXGBXAGGSA-N 2 1 241.379 0.927 10 0 BCAEMP CN(C)c1nc(N[C@H]2CC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000382408879 412201517 /nfs/dbraw/zinc/20/15/17/412201517.db2.gz CNSBVZUKQDLONI-UWVGGRQHSA-N 2 1 235.335 1.082 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000662418767 412160462 /nfs/dbraw/zinc/16/04/62/412160462.db2.gz TZHRZIBVHOHCBQ-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000662418767 412160467 /nfs/dbraw/zinc/16/04/67/412160467.db2.gz TZHRZIBVHOHCBQ-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP [NH3+][C@H]1C[C@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000662723461 412284075 /nfs/dbraw/zinc/28/40/75/412284075.db2.gz FTWOWQKZICZVIG-GMTAPVOTSA-N 2 1 223.320 0.030 10 0 BCAEMP CN(C)C(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000037270190 172362664 /nfs/dbraw/zinc/36/26/64/172362664.db2.gz WASXILPTBLSUES-VXGBXAGGSA-N 2 1 241.379 0.914 10 0 BCAEMP CN(C)C(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601951 172367086 /nfs/dbraw/zinc/36/70/86/172367086.db2.gz UDRJALFWUKLQQP-FGWVZKOKSA-N 2 1 225.336 0.419 10 0 BCAEMP CN(C)C(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601951 172367087 /nfs/dbraw/zinc/36/70/87/172367087.db2.gz UDRJALFWUKLQQP-FGWVZKOKSA-N 2 1 225.336 0.419 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000044560640 173004375 /nfs/dbraw/zinc/00/43/75/173004375.db2.gz XDWZUNRQQOAGMO-GFCCVEGCSA-N 2 1 211.353 0.812 10 0 BCAEMP CN1CCCC[C@@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000044560640 173004377 /nfs/dbraw/zinc/00/43/77/173004377.db2.gz XDWZUNRQQOAGMO-GFCCVEGCSA-N 2 1 211.353 0.812 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000044564402 173005342 /nfs/dbraw/zinc/00/53/42/173005342.db2.gz PXMYEZLQJNZJKK-MNOVXSKESA-N 2 1 225.336 0.339 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000044564528 173005855 /nfs/dbraw/zinc/00/58/55/173005855.db2.gz ICTGDMFUHUPANB-SECBINFHSA-N 2 1 213.325 0.324 10 0 BCAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000020217639 173016970 /nfs/dbraw/zinc/01/69/70/173016970.db2.gz VTNBQJJORVEMFF-NSHDSACASA-N 2 1 223.320 0.917 10 0 BCAEMP C[N@H+]1CCCN([C@@H]2CCCC[NH2+]C2)CC1 ZINC000054134889 173017526 /nfs/dbraw/zinc/01/75/26/173017526.db2.gz ASDCHBNMKDWIQY-GFCCVEGCSA-N 2 1 211.353 0.766 10 0 BCAEMP C[N@H+]1CCCN(c2cc(N)cc[nH+]2)CC1 ZINC000043568087 173018300 /nfs/dbraw/zinc/01/83/00/173018300.db2.gz BZCOFBSRGJGSMR-UHFFFAOYSA-N 2 1 206.293 0.806 10 0 BCAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000044534614 173042789 /nfs/dbraw/zinc/04/27/89/173042789.db2.gz KHAZAVHPRQAEFO-NEPJUHHUSA-N 2 1 212.337 0.954 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055122118 173066791 /nfs/dbraw/zinc/06/67/91/173066791.db2.gz RBNRVHGFKGSNFS-NWDGAFQWSA-N 2 1 239.363 0.668 10 0 BCAEMP C[NH+]1CCN(C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000058081579 173085966 /nfs/dbraw/zinc/08/59/66/173085966.db2.gz OECPXPZWNJEOIV-NEPJUHHUSA-N 2 1 211.353 0.751 10 0 BCAEMP C[NH+]1CCN([C@@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000019397304 173091676 /nfs/dbraw/zinc/09/16/76/173091676.db2.gz MOSFDOZXOZJNTA-TZMCWYRMSA-N 2 1 247.342 0.695 10 0 BCAEMP C[NH+]1CCN([C@H]2COc3ccccc3[C@@H]2[NH3+])CC1 ZINC000019397302 173093864 /nfs/dbraw/zinc/09/38/64/173093864.db2.gz MOSFDOZXOZJNTA-JSGCOSHPSA-N 2 1 247.342 0.695 10 0 BCAEMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000038049579 173110643 /nfs/dbraw/zinc/11/06/43/173110643.db2.gz RDPQBNYNFXSUOH-OUAUKWLOSA-N 2 1 225.336 0.324 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C1(C[NH3+])CCOCC1 ZINC000071188339 173111599 /nfs/dbraw/zinc/11/15/99/173111599.db2.gz JHAZGSYWBSMPJP-GFCCVEGCSA-N 2 1 241.379 0.378 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000042549122 173121538 /nfs/dbraw/zinc/12/15/38/173121538.db2.gz DMAVTOSTYANINQ-OLZOCXBDSA-N 2 1 247.342 0.377 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042549116 173122169 /nfs/dbraw/zinc/12/21/69/173122169.db2.gz UKKLVLQGVXPIKL-LLVKDONJSA-N 2 1 225.336 0.196 10 0 BCAEMP CN([C@@H]1CCSC1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990222 173135701 /nfs/dbraw/zinc/13/57/01/173135701.db2.gz CMNRSZFJEDMQAG-MNOVXSKESA-N 2 1 229.393 0.457 10 0 BCAEMP CN([C@@H]1CCSC1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990222 173135703 /nfs/dbraw/zinc/13/57/03/173135703.db2.gz CMNRSZFJEDMQAG-MNOVXSKESA-N 2 1 229.393 0.457 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000044503424 173141408 /nfs/dbraw/zinc/14/14/08/173141408.db2.gz SFXNRSMZNOYFDZ-NSHDSACASA-N 2 1 225.336 0.054 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000071189627 173142422 /nfs/dbraw/zinc/14/24/22/173142422.db2.gz LDGIFKADRRVJEG-RYUDHWBXSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227805220 173144539 /nfs/dbraw/zinc/14/45/39/173144539.db2.gz VTSAXJRITXTPEV-GMTAPVOTSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000037484872 173145327 /nfs/dbraw/zinc/14/53/27/173145327.db2.gz HLVMPVDXMPIUSP-BXKDBHETSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH2+]CC1)C2 ZINC000034568121 173205982 /nfs/dbraw/zinc/20/59/82/173205982.db2.gz YLFHQBMNICBNMP-FOSCPWQOSA-N 2 1 209.337 0.517 10 0 BCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)CC[NH3+])C2 ZINC000038019350 173207031 /nfs/dbraw/zinc/20/70/31/173207031.db2.gz ZUWBUPKATGJSLU-FGWVZKOKSA-N 2 1 225.336 0.324 10 0 BCAEMP CNC(=O)C1CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042489246 173223750 /nfs/dbraw/zinc/22/37/50/173223750.db2.gz IFBFKMVITOJJLK-QWRGUYRKSA-N 2 1 225.336 0.324 10 0 BCAEMP CNC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051761686 173254157 /nfs/dbraw/zinc/25/41/57/173254157.db2.gz NBRWBMXMVBWOSJ-QWRGUYRKSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)CC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051761686 173254158 /nfs/dbraw/zinc/25/41/58/173254158.db2.gz NBRWBMXMVBWOSJ-QWRGUYRKSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C[NH3+] ZINC000037757710 173294029 /nfs/dbraw/zinc/29/40/29/173294029.db2.gz UYSGTQOKEFPRIE-SNVBAGLBSA-N 2 1 235.331 0.712 10 0 BCAEMP CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000037757710 173294030 /nfs/dbraw/zinc/29/40/30/173294030.db2.gz UYSGTQOKEFPRIE-SNVBAGLBSA-N 2 1 235.331 0.712 10 0 BCAEMP CNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757985 173301658 /nfs/dbraw/zinc/30/16/58/173301658.db2.gz UOTNADIHNFLBJK-JTQLQIEISA-N 2 1 235.331 0.712 10 0 BCAEMP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000042220905 173302542 /nfs/dbraw/zinc/30/25/42/173302542.db2.gz WZYFQQIFCCQMLS-JTQLQIEISA-N 2 1 227.352 0.583 10 0 BCAEMP C[NH2+]CC(=O)NCC[N@@H+](C)C1CCCCCC1 ZINC000077388840 173328411 /nfs/dbraw/zinc/32/84/11/173328411.db2.gz ZMPOBEJKLXCKCP-UHFFFAOYSA-N 2 1 241.379 0.977 10 0 BCAEMP C[NH2+]CC[C@H](O)C[N@@H+](C)C1CCCC1 ZINC000077296924 173359141 /nfs/dbraw/zinc/35/91/41/173359141.db2.gz VTORPYSXNGIKJL-NSHDSACASA-N 2 1 200.326 0.831 10 0 BCAEMP C[NH2+]C[C@@H]1CCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053033654 173370347 /nfs/dbraw/zinc/37/03/47/173370347.db2.gz PILFZJLJYVERMH-QWHCGFSZSA-N 2 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC000053033654 173370349 /nfs/dbraw/zinc/37/03/49/173370349.db2.gz PILFZJLJYVERMH-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC000053033654 173370351 /nfs/dbraw/zinc/37/03/51/173370351.db2.gz PILFZJLJYVERMH-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000053033654 173370353 /nfs/dbraw/zinc/37/03/53/173370353.db2.gz PILFZJLJYVERMH-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000053033654 173370354 /nfs/dbraw/zinc/37/03/54/173370354.db2.gz PILFZJLJYVERMH-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@H](C[N@H+]2CCCOCC2)O1 ZINC000061935852 173371788 /nfs/dbraw/zinc/37/17/88/173371788.db2.gz BJTCLERBXIGFGL-NWDGAFQWSA-N 2 1 228.336 0.476 10 0 BCAEMP C[NH2+]C[C@H]1CCCCN1c1[nH+]ccn1C ZINC000053706777 173377829 /nfs/dbraw/zinc/37/78/29/173377829.db2.gz YVFODQZKHIWGKK-SNVBAGLBSA-N 2 1 208.309 0.998 10 0 BCAEMP C[NH2+][C@H](C)[C@@H](C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062979687 173447963 /nfs/dbraw/zinc/44/79/63/173447963.db2.gz ZBOWCLMQVHYMDP-UPJWGTAASA-N 2 1 241.379 0.389 10 0 BCAEMP COC1CC[NH+]([C@@]2(C[NH3+])CCSC2)CC1 ZINC000037265944 174030290 /nfs/dbraw/zinc/03/02/90/174030290.db2.gz QRWCEMCXTZJORS-LLVKDONJSA-N 2 1 230.377 0.932 10 0 BCAEMP COCC[N@@H+](CC(C)C)C[C@H](O)C[NH2+]C1CC1 ZINC000042368665 174287310 /nfs/dbraw/zinc/28/73/10/174287310.db2.gz YLUQHPISPUWUEK-CYBMUJFWSA-N 2 1 244.379 0.704 10 0 BCAEMP COCC[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000053660951 174332880 /nfs/dbraw/zinc/33/28/80/174332880.db2.gz SIIQNVGEKCTPSL-UHFFFAOYSA-N 2 1 243.395 0.496 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000225813719 487629656 /nfs/dbraw/zinc/62/96/56/487629656.db2.gz VORAGBHGQQCSET-PWSUYJOCSA-N 2 1 241.379 0.959 10 0 BCAEMP Cc1cc[nH+]c(N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000228374420 487630575 /nfs/dbraw/zinc/63/05/75/487630575.db2.gz IGIOJCWEOUVRGP-QWRGUYRKSA-N 2 1 221.304 0.942 10 0 BCAEMP Cc1cccc(N2CCO[C@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000228374989 487630621 /nfs/dbraw/zinc/63/06/21/487630621.db2.gz CUMQBWRNSZCMMZ-QWRGUYRKSA-N 2 1 221.304 0.942 10 0 BCAEMP C[C@@H](C[NH3+])C[N@H+](C)CC(=O)NC1CCCCC1 ZINC000042455950 175706817 /nfs/dbraw/zinc/70/68/17/175706817.db2.gz KVQCMVAMZIFXOG-NSHDSACASA-N 2 1 241.379 0.962 10 0 BCAEMP C[C@@H](C[NH3+])C[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000042455950 175706818 /nfs/dbraw/zinc/70/68/18/175706818.db2.gz KVQCMVAMZIFXOG-NSHDSACASA-N 2 1 241.379 0.962 10 0 BCAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1C[NH2+]C1 ZINC000090035450 176070446 /nfs/dbraw/zinc/07/04/46/176070446.db2.gz NVUUGJIIKIKJHT-LLVKDONJSA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@@H]1CCCC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052378884 176071509 /nfs/dbraw/zinc/07/15/09/176071509.db2.gz WWNJUVCGOXPJMZ-SNVBAGLBSA-N 2 1 223.324 0.611 10 0 BCAEMP C[C@@H]1CCCC[C@@]1(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000037943780 176083208 /nfs/dbraw/zinc/08/32/08/176083208.db2.gz BUCKMPOGYKADTN-DGCLKSJQSA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@@H]1CCCC[C@@]1(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000037943780 176083209 /nfs/dbraw/zinc/08/32/09/176083209.db2.gz BUCKMPOGYKADTN-DGCLKSJQSA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@@H]1CC[N@@H+](CCn2cc(C[NH3+])nn2)C1 ZINC000052484522 176169428 /nfs/dbraw/zinc/16/94/28/176169428.db2.gz XTORTOFTOBGJHM-SECBINFHSA-N 2 1 209.297 0.079 10 0 BCAEMP C[C@@H]1CN(Cc2cccnc2C(N)=[NH2+])CC[N@H+]1C ZINC000104137100 176308019 /nfs/dbraw/zinc/30/80/19/176308019.db2.gz FHJVICARXMNKFJ-SNVBAGLBSA-N 2 1 247.346 0.502 10 0 BCAEMP C[C@@H]1CN([C@@H](C[NH3+])c2cccnc2)CC[N@H+]1C ZINC000107913731 176315175 /nfs/dbraw/zinc/31/51/75/176315175.db2.gz DETXWOUKHNOVAM-YPMHNXCESA-N 2 1 234.347 0.717 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1([NH3+])CCC1 ZINC000148442298 176322507 /nfs/dbraw/zinc/32/25/07/176322507.db2.gz MKDZYPXIWPSGCL-GHMZBOCLSA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000226082744 176330248 /nfs/dbraw/zinc/33/02/48/176330248.db2.gz KTLJUBFSQJANOW-GMTAPVOTSA-N 2 1 225.336 0.052 10 0 BCAEMP C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055139806 176359389 /nfs/dbraw/zinc/35/93/89/176359389.db2.gz BUTXQYYCSORYKO-KXNHARMFSA-N 2 1 239.363 0.570 10 0 BCAEMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC(=O)N(C)C ZINC000020047841 177076007 /nfs/dbraw/zinc/07/60/07/177076007.db2.gz KTNRPLFQGIVFIU-LBPRGKRZSA-N 2 1 241.379 0.929 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC(=O)N(C)C ZINC000020047841 177076009 /nfs/dbraw/zinc/07/60/09/177076009.db2.gz KTNRPLFQGIVFIU-LBPRGKRZSA-N 2 1 241.379 0.929 10 0 BCAEMP C[C@H]1CCC[N@@H+](CCC(=O)NCC[NH3+])C1 ZINC000049478096 177097297 /nfs/dbraw/zinc/09/72/97/177097297.db2.gz YUCWEISYBZOPGT-JTQLQIEISA-N 2 1 213.325 0.183 10 0 BCAEMP C[C@H]1CCC[N@@H+](CCn2cc(C[NH3+])nn2)CC1 ZINC000104362219 177100570 /nfs/dbraw/zinc/10/05/70/177100570.db2.gz ODUAIYNDPPAWJB-NSHDSACASA-N 2 1 237.351 0.859 10 0 BCAEMP C[C@H]1CC[N@H+](CCCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000104418240 177158073 /nfs/dbraw/zinc/15/80/73/177158073.db2.gz UJTFXQRCYJJNAH-RYUDHWBXSA-N 2 1 241.379 0.914 10 0 BCAEMP C[C@H]1CC[N@@H+](CCCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000104418240 177158074 /nfs/dbraw/zinc/15/80/74/177158074.db2.gz UJTFXQRCYJJNAH-RYUDHWBXSA-N 2 1 241.379 0.914 10 0 BCAEMP C[C@H]1CC[N@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224842902 177159119 /nfs/dbraw/zinc/15/91/19/177159119.db2.gz YIOAISQEVXRNIV-WDEREUQCSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000224842902 177159120 /nfs/dbraw/zinc/15/91/20/177159120.db2.gz YIOAISQEVXRNIV-WDEREUQCSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000147682094 177246917 /nfs/dbraw/zinc/24/69/17/177246917.db2.gz CVOYFADXKHVZAL-AAEUAGOBSA-N 2 1 225.380 0.868 10 0 BCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCOCC[NH3+] ZINC000094440737 177280645 /nfs/dbraw/zinc/28/06/45/177280645.db2.gz ZZTBCNKLYUWYFJ-QWHCGFSZSA-N 2 1 241.379 0.520 10 0 BCAEMP C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOCC[NH3+] ZINC000094440737 177280646 /nfs/dbraw/zinc/28/06/46/177280646.db2.gz ZZTBCNKLYUWYFJ-QWHCGFSZSA-N 2 1 241.379 0.520 10 0 BCAEMP C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCOCC[NH3+] ZINC000094440737 177280648 /nfs/dbraw/zinc/28/06/48/177280648.db2.gz ZZTBCNKLYUWYFJ-QWHCGFSZSA-N 2 1 241.379 0.520 10 0 BCAEMP C[C@H]1C[NH2+]CCN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049662095 177283044 /nfs/dbraw/zinc/28/30/44/177283044.db2.gz REFPMUPIPDBIHX-NWDGAFQWSA-N 2 1 211.353 0.479 10 0 BCAEMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000094647130 177395317 /nfs/dbraw/zinc/39/53/17/177395317.db2.gz QYDDSVYMUUHCKV-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000400483600 226344518 /nfs/dbraw/zinc/34/45/18/226344518.db2.gz CRGBVLARAHNMJU-RYUDHWBXSA-N 2 1 222.336 0.922 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000383773381 487672436 /nfs/dbraw/zinc/67/24/36/487672436.db2.gz NQZWFSFAINRBRW-AGIUHOORSA-N 2 1 243.395 0.181 10 0 BCAEMP C([C@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250834802 487742159 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GREBRAXKBAXTBP-SJQPAMGKSA-N 2 1 223.324 0.449 10 0 BCAEMP [NH3+]Cc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH3+])cc1 ZINC000757212951 586439388 /nfs/dbraw/zinc/43/93/88/586439388.db2.gz KKARVTSAVMPMDE-NEPJUHHUSA-N 3 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1ccc([C@H]2CCNC[C@@H]2[NH3+])cc1 ZINC000757212951 586439390 /nfs/dbraw/zinc/43/93/90/586439390.db2.gz KKARVTSAVMPMDE-NEPJUHHUSA-N 2 1 205.305 0.550 10 0 BCAEMP N[C@@H]1C[NH2+]C[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000757219260 586442221 /nfs/dbraw/zinc/44/22/21/586442221.db2.gz WGYUNTKYIKLAIY-RYUDHWBXSA-N 2 1 205.305 0.550 10 0 BCAEMP C[N@H+]1CCC[C@]2(CC(=O)O[C@@H]2C[NH3+])CC1 ZINC000757225235 586442705 /nfs/dbraw/zinc/44/27/05/586442705.db2.gz RJJDORPPWVQFDJ-MWLCHTKSSA-N 2 1 212.293 0.363 10 0 BCAEMP C[N@H+]1CCC[C@]2(CC(=O)O[C@H]2C[NH3+])CC1 ZINC000757225233 586442724 /nfs/dbraw/zinc/44/27/24/586442724.db2.gz RJJDORPPWVQFDJ-GXSJLCMTSA-N 2 1 212.293 0.363 10 0 BCAEMP C[C@@H](C[NH3+])N(C)c1cc[nH+]c(N(C)C)n1 ZINC000125498668 590166586 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C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCC[C@H]3O)C[C@@H]2C1 ZINC000309320240 632005986 /nfs/dbraw/zinc/00/59/86/632005986.db2.gz HAIZIYURMVJNFE-YVECIDJPSA-N 2 1 224.348 0.783 10 0 BCAEMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCC[C@H]3O)C[C@@H]2C1 ZINC000309320240 632005991 /nfs/dbraw/zinc/00/59/91/632005991.db2.gz HAIZIYURMVJNFE-YVECIDJPSA-N 2 1 224.348 0.783 10 0 BCAEMP COc1c(C[N@@H+]2CC[C@H](C[NH3+])C2)c(C)nn1C ZINC000158493095 632474798 /nfs/dbraw/zinc/47/47/98/632474798.db2.gz PZFOXZZGBPBFLQ-SNVBAGLBSA-N 2 1 238.335 0.518 10 0 BCAEMP COc1c(C[N@H+]2CC[C@H](C[NH3+])C2)c(C)nn1C ZINC000158493095 632474799 /nfs/dbraw/zinc/47/47/99/632474799.db2.gz PZFOXZZGBPBFLQ-SNVBAGLBSA-N 2 1 238.335 0.518 10 0 BCAEMP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309115503 632641458 /nfs/dbraw/zinc/64/14/58/632641458.db2.gz LJBIXSHJDYDDQH-PWSUYJOCSA-N 2 1 212.337 0.831 10 0 BCAEMP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309115502 632642297 /nfs/dbraw/zinc/64/22/97/632642297.db2.gz 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0.641 10 0 BCAEMP CC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822825 343341340 /nfs/dbraw/zinc/34/13/40/343341340.db2.gz GAHNXBKLQJUTEV-MNOVXSKESA-N 2 1 200.326 0.641 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000040503485 343405393 /nfs/dbraw/zinc/40/53/93/343405393.db2.gz XXOAJFFHLCDXKS-QWRGUYRKSA-N 2 1 227.352 0.570 10 0 BCAEMP COC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000379800918 343629193 /nfs/dbraw/zinc/62/91/93/343629193.db2.gz MEHMSFDINSWKKK-NXEZZACHSA-N 2 1 212.293 0.233 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000379800918 343629194 /nfs/dbraw/zinc/62/91/94/343629194.db2.gz MEHMSFDINSWKKK-NXEZZACHSA-N 2 1 212.293 0.233 10 0 BCAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178793 537799094 /nfs/dbraw/zinc/79/90/94/537799094.db2.gz JOJJYDGFPAEKIY-RYUDHWBXSA-N 2 1 241.379 0.818 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397298994 537823528 /nfs/dbraw/zinc/82/35/28/537823528.db2.gz 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COC[C@H](C)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998414 345198305 /nfs/dbraw/zinc/19/83/05/345198305.db2.gz FKUJQKFNCOZWIW-VWYCJHECSA-N 2 1 200.326 0.796 10 0 BCAEMP COC[C@H](C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998413 345198457 /nfs/dbraw/zinc/19/84/57/345198457.db2.gz FKUJQKFNCOZWIW-OUAUKWLOSA-N 2 1 200.326 0.796 10 0 BCAEMP CCn1nccc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999822 345201395 /nfs/dbraw/zinc/20/13/95/345201395.db2.gz ZXUUCMSGIDYDQO-MNOVXSKESA-N 2 1 222.336 0.930 10 0 BCAEMP CCn1nccc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999822 345201397 /nfs/dbraw/zinc/20/13/97/345201397.db2.gz ZXUUCMSGIDYDQO-MNOVXSKESA-N 2 1 222.336 0.930 10 0 BCAEMP CN(C)c1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000212721549 345740467 /nfs/dbraw/zinc/74/04/67/345740467.db2.gz KOGRDDCRJHDTFS-ZJUUUORDSA-N 2 1 233.319 0.341 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](C)[NH3+] ZINC000252580631 346318151 /nfs/dbraw/zinc/31/81/51/346318151.db2.gz QROPHIXZJIHXKA-WDEREUQCSA-N 2 1 227.352 0.666 10 0 BCAEMP CN(C)[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000641800877 362753232 /nfs/dbraw/zinc/75/32/32/362753232.db2.gz HQTITYNUXGBJND-NEPJUHHUSA-N 2 1 239.363 0.143 10 0 BCAEMP CN(C)[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000641800877 362753239 /nfs/dbraw/zinc/75/32/39/362753239.db2.gz HQTITYNUXGBJND-NEPJUHHUSA-N 2 1 239.363 0.143 10 0 BCAEMP Cc1cccc(NC[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000227787025 179148837 /nfs/dbraw/zinc/14/88/37/179148837.db2.gz AZXDLYKZIMJNFK-SNVBAGLBSA-N 2 1 207.277 0.790 10 0 BCAEMP COc1cc([C@@H]2CC[NH2+]C[C@H]2[NH3+])ccn1 ZINC000725242463 537986646 /nfs/dbraw/zinc/98/66/46/537986646.db2.gz HUCJNUDMIUAUFR-VHSXEESVSA-N 2 1 207.277 0.494 10 0 BCAEMP COC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325473 347207054 /nfs/dbraw/zinc/20/70/54/347207054.db2.gz CTXYITVUWVUQHN-RKDXNWHRSA-N 2 1 200.282 0.076 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326115 347207645 /nfs/dbraw/zinc/20/76/45/347207645.db2.gz KDKLZVLIDZNOOZ-DCAQKATOSA-N 2 1 228.336 0.855 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326115 347207646 /nfs/dbraw/zinc/20/76/46/347207646.db2.gz KDKLZVLIDZNOOZ-DCAQKATOSA-N 2 1 228.336 0.855 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326114 347208323 /nfs/dbraw/zinc/20/83/23/347208323.db2.gz KDKLZVLIDZNOOZ-AXFHLTTASA-N 2 1 228.336 0.855 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326114 347208326 /nfs/dbraw/zinc/20/83/26/347208326.db2.gz KDKLZVLIDZNOOZ-AXFHLTTASA-N 2 1 228.336 0.855 10 0 BCAEMP COC(=O)CCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326451 347209262 /nfs/dbraw/zinc/20/92/62/347209262.db2.gz MYQHNMDAEKBCCJ-UWVGGRQHSA-N 2 1 214.309 0.466 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335212 347228528 /nfs/dbraw/zinc/22/85/28/347228528.db2.gz ROJLYMPAYVUYAB-MNOVXSKESA-N 2 1 226.320 0.623 10 0 BCAEMP CS[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000591835646 347703268 /nfs/dbraw/zinc/70/32/68/347703268.db2.gz ZHLRAUZUVWSGRE-RYUDHWBXSA-N 2 1 244.404 0.927 10 0 BCAEMP [NH3+]CCCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000070202563 349976918 /nfs/dbraw/zinc/97/69/18/349976918.db2.gz AHFUKAIPPNOGEZ-GFCCVEGCSA-N 2 1 239.363 0.812 10 0 BCAEMP CC(C)[C@H]1CN([C@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000251450158 362877433 /nfs/dbraw/zinc/87/74/33/362877433.db2.gz WYMRAFXCVVUKKI-NWDGAFQWSA-N 2 1 211.353 0.620 10 0 BCAEMP C[C@@H](C[N@H+]1CCSC[C@H]1C)C(N)=[NH2+] ZINC000251704248 362900008 /nfs/dbraw/zinc/90/00/08/362900008.db2.gz JBPGQCCKYLLMBL-JGVFFNPUSA-N 2 1 201.339 0.996 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250512261 187396673 /nfs/dbraw/zinc/39/66/73/187396673.db2.gz PFJMIBDPFVGVCC-RYUDHWBXSA-N 2 1 241.379 0.912 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250512261 187396674 /nfs/dbraw/zinc/39/66/74/187396674.db2.gz PFJMIBDPFVGVCC-RYUDHWBXSA-N 2 1 241.379 0.912 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000250649867 349177793 /nfs/dbraw/zinc/17/77/93/349177793.db2.gz WKEHFVHQZJQBSH-VXGBXAGGSA-N 2 1 239.363 0.444 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000250234549 349168506 /nfs/dbraw/zinc/16/85/06/349168506.db2.gz HBXIQPSTUIZWQX-OUAUKWLOSA-N 2 1 225.336 0.419 10 0 BCAEMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252613372 349206986 /nfs/dbraw/zinc/20/69/86/349206986.db2.gz XFGISJYEOYOXKW-SRVKXCTJSA-N 2 1 237.347 0.291 10 0 BCAEMP Cc1nccc([C@@H]2[C@H](C[NH3+])CC[N@H+]2C)n1 ZINC000082933169 180208546 /nfs/dbraw/zinc/20/85/46/180208546.db2.gz UYFRNYQCSGTKKZ-ONGXEEELSA-N 2 1 206.293 0.737 10 0 BCAEMP Cc1nccc([C@@H]2[C@H](C[NH3+])CC[N@@H+]2C)n1 ZINC000082933169 180208549 /nfs/dbraw/zinc/20/85/49/180208549.db2.gz UYFRNYQCSGTKKZ-ONGXEEELSA-N 2 1 206.293 0.737 10 0 BCAEMP [NH3+]CC(F)(F)CNc1ccnn1C1C[NH2+]C1 ZINC000725258622 538075781 /nfs/dbraw/zinc/07/57/81/538075781.db2.gz VHZYWNCWQFFEBA-UHFFFAOYSA-N 2 1 231.250 0.033 10 0 BCAEMP CCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000309269455 350247057 /nfs/dbraw/zinc/24/70/57/350247057.db2.gz QULVOHJDDCMYGQ-NWDGAFQWSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000309269455 350247066 /nfs/dbraw/zinc/24/70/66/350247066.db2.gz QULVOHJDDCMYGQ-NWDGAFQWSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CCO)C1 ZINC000309269455 350247068 /nfs/dbraw/zinc/24/70/68/350247068.db2.gz QULVOHJDDCMYGQ-NWDGAFQWSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000309269455 350247070 /nfs/dbraw/zinc/24/70/70/350247070.db2.gz QULVOHJDDCMYGQ-NWDGAFQWSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CCO)C1 ZINC000309269455 350247071 /nfs/dbraw/zinc/24/70/71/350247071.db2.gz QULVOHJDDCMYGQ-NWDGAFQWSA-N 2 1 230.352 0.003 10 0 BCAEMP Cc1[nH+]ccn1CCO[C@H]1CCC[NH2+]C1 ZINC000049330816 180262934 /nfs/dbraw/zinc/26/29/34/180262934.db2.gz KHROLNOCLQYYOB-NSHDSACASA-N 2 1 209.293 0.960 10 0 BCAEMP Cc1[nH+]ccn1[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019429383 180270758 /nfs/dbraw/zinc/27/07/58/180270758.db2.gz CNVKRQKSMMMQSK-VIFPVBQESA-N 2 1 222.292 0.184 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803361 191094263 /nfs/dbraw/zinc/09/42/63/191094263.db2.gz ARRVTXZJZAPTPU-GHMZBOCLSA-N 2 1 227.352 0.570 10 0 BCAEMP C[C@H]1C[NH2+]CCN1c1cc2c(nn1)CC[N@@H+](C)C2 ZINC000725264863 538091810 /nfs/dbraw/zinc/09/18/10/538091810.db2.gz NDERRHXITNCGQV-JTQLQIEISA-N 2 1 247.346 0.263 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)[NH2+]C ZINC000252583919 350912867 /nfs/dbraw/zinc/91/28/67/350912867.db2.gz YXKVOCIHHPFKTM-QWRGUYRKSA-N 2 1 227.352 0.537 10 0 BCAEMP C[C@H]1[C@@H](O)CCC[N@H+]1CCC(C)(C)[NH3+] ZINC000307253101 351783984 /nfs/dbraw/zinc/78/39/84/351783984.db2.gz UOKXGJFQULGEHT-UWVGGRQHSA-N 2 1 200.326 0.959 10 0 BCAEMP [NH3+]C[C@@H](O)CNc1cc[nH+]cc1Br ZINC000307255536 351790150 /nfs/dbraw/zinc/79/01/50/351790150.db2.gz ZODIKMHRWYUXSN-ZCFIWIBFSA-N 2 1 246.108 0.576 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638117417 351993269 /nfs/dbraw/zinc/99/32/69/351993269.db2.gz UMPKMPNYSWSFHJ-KGYLQXTDSA-N 2 1 249.358 0.729 10 0 BCAEMP [NH3+][C@@H]1CC12CCC([N@H+]1CC[C@H](CO)C1)CC2 ZINC000725270397 538101925 /nfs/dbraw/zinc/10/19/25/538101925.db2.gz LVLIGBHQGPBITN-GMKTYKIGSA-N 2 1 224.348 0.961 10 0 BCAEMP C[C@@H]1CNCC[N@H+]1C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270378 538102008 /nfs/dbraw/zinc/10/20/08/538102008.db2.gz LEGUCBCSWDSIKP-CQLXCSJHSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1C1CCC2(C[C@H]2[NH3+])CC1 ZINC000725270378 538102009 /nfs/dbraw/zinc/10/20/09/538102009.db2.gz LEGUCBCSWDSIKP-CQLXCSJHSA-N 2 1 223.364 0.940 10 0 BCAEMP CC(C)C[N@H+](C)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000300931475 363169801 /nfs/dbraw/zinc/16/98/01/363169801.db2.gz WECIHWIHERDINM-QWRGUYRKSA-N 2 1 200.326 0.687 10 0 BCAEMP CC(C)C[N@@H+](C)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000300931475 363169805 /nfs/dbraw/zinc/16/98/05/363169805.db2.gz WECIHWIHERDINM-QWRGUYRKSA-N 2 1 200.326 0.687 10 0 BCAEMP C[C@@H]1C[N@H+](C2CCC3(C[C@H]3[NH3+])CC2)CCN1 ZINC000725270245 538102546 /nfs/dbraw/zinc/10/25/46/538102546.db2.gz JQHAZEUBACDQIM-CQLXCSJHSA-N 2 1 223.364 0.940 10 0 BCAEMP C[C@@H]1CN(C2CCC3(C[C@H]3[NH3+])CC2)CC[NH2+]1 ZINC000725270245 538102548 /nfs/dbraw/zinc/10/25/48/538102548.db2.gz JQHAZEUBACDQIM-CQLXCSJHSA-N 2 1 223.364 0.940 10 0 BCAEMP CC(C)[C@@H](C)C(=O)N1CC[NH+]=C1CC[NH3+] ZINC000725272604 538104335 /nfs/dbraw/zinc/10/43/35/538104335.db2.gz QRHNPKMQFYZZPG-SECBINFHSA-N 2 1 211.309 0.868 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171141 352615079 /nfs/dbraw/zinc/61/50/79/352615079.db2.gz LZVICXGZDIYOKQ-RYUDHWBXSA-N 2 1 239.363 0.729 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH3+])C1 ZINC000229383799 353143208 /nfs/dbraw/zinc/14/32/08/353143208.db2.gz ZGSYWZNKDHCCAU-YTWAJWBKSA-N 2 1 200.326 0.672 10 0 BCAEMP C(CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 ZINC000049568384 188124805 /nfs/dbraw/zinc/12/48/05/188124805.db2.gz WZOQOVSYPPPEDB-OLZOCXBDSA-N 2 1 239.363 0.145 10 0 BCAEMP C(CN1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 ZINC000049568384 188124807 /nfs/dbraw/zinc/12/48/07/188124807.db2.gz WZOQOVSYPPPEDB-OLZOCXBDSA-N 2 1 239.363 0.145 10 0 BCAEMP CC(C)[N@H+]1CC[C@@](C[NH3+])(N2CCCC2)C1 ZINC000045658326 188152193 /nfs/dbraw/zinc/15/21/93/188152193.db2.gz WKCCLSQEPUZYBH-LBPRGKRZSA-N 2 1 211.353 0.894 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000250320561 353269452 /nfs/dbraw/zinc/26/94/52/353269452.db2.gz NBXAIZHTYVEYSW-SDDRHHMPSA-N 2 1 239.363 0.714 10 0 BCAEMP Cc1cc(C[NH2+]C2CCN(CCO)CC2)on1 ZINC000398949910 353375934 /nfs/dbraw/zinc/37/59/34/353375934.db2.gz CYRQIPFVSYPPDT-UHFFFAOYSA-N 2 1 239.319 0.529 10 0 BCAEMP CN(CC(F)(F)C[NH3+])[C@@H]1CC[N@H+](C)C1 ZINC000308571922 538116951 /nfs/dbraw/zinc/11/69/51/538116951.db2.gz KSTNJLDGZCFARO-MRVPVSSYSA-N 2 1 207.268 0.216 10 0 BCAEMP CN(CC(F)(F)C[NH3+])[C@@H]1CC[N@@H+](C)C1 ZINC000308571922 538116952 /nfs/dbraw/zinc/11/69/52/538116952.db2.gz KSTNJLDGZCFARO-MRVPVSSYSA-N 2 1 207.268 0.216 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115831 353551348 /nfs/dbraw/zinc/55/13/48/353551348.db2.gz UETQVLXZCHWPDN-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062898886 353572905 /nfs/dbraw/zinc/57/29/05/353572905.db2.gz CVTXZLYHMCHHKH-DGCLKSJQSA-N 2 1 239.363 0.587 10 0 BCAEMP NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000042404487 188476606 /nfs/dbraw/zinc/47/66/06/188476606.db2.gz JOXZDWQYXKPDTA-CYBMUJFWSA-N 2 1 247.342 0.985 10 0 BCAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000113444721 354999442 /nfs/dbraw/zinc/99/94/42/354999442.db2.gz ISUMYGRNWRFHAU-WDEREUQCSA-N 2 1 225.336 0.243 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000113444721 354999443 /nfs/dbraw/zinc/99/94/43/354999443.db2.gz ISUMYGRNWRFHAU-WDEREUQCSA-N 2 1 225.336 0.243 10 0 BCAEMP NC(=O)C1CC[NH+]([C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040431149 181217363 /nfs/dbraw/zinc/21/73/63/181217363.db2.gz MHPQGWMFHPHOEA-UWVGGRQHSA-N 2 1 211.309 0.064 10 0 BCAEMP COc1nscc1[C@@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000675058968 538481983 /nfs/dbraw/zinc/48/19/83/538481983.db2.gz DWKSARVQXRJJJC-POYBYMJQSA-N 2 1 213.306 0.556 10 0 BCAEMP C[N@H+](C[C@@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000675058889 538482467 /nfs/dbraw/zinc/48/24/67/538482467.db2.gz BDQIFLAXBADJJK-QWHCGFSZSA-N 2 1 242.363 0.552 10 0 BCAEMP C[N@@H+](C[C@@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000675058889 538482468 /nfs/dbraw/zinc/48/24/68/538482468.db2.gz BDQIFLAXBADJJK-QWHCGFSZSA-N 2 1 242.363 0.552 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCCOCC1 ZINC000685950475 538893974 /nfs/dbraw/zinc/89/39/74/538893974.db2.gz AACLQRIMKWHEEC-GHMZBOCLSA-N 2 1 212.337 0.953 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086067781 357802381 /nfs/dbraw/zinc/80/23/81/357802381.db2.gz XHGNUQGKZWXOPJ-QWRGUYRKSA-N 2 1 227.352 0.442 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000168520059 134225425 /nfs/dbraw/zinc/22/54/25/134225425.db2.gz WJGPEKXSWFKYJX-MWLCHTKSSA-N 2 1 222.336 0.898 10 0 BCAEMP CCc1nnc(C[NH+]2CCC(C[NH3+])CC2)n1C ZINC000584780598 358175964 /nfs/dbraw/zinc/17/59/64/358175964.db2.gz FNJKYAGCQTVNLM-UHFFFAOYSA-N 2 1 237.351 0.548 10 0 BCAEMP CN(CCC[NH+](C)C)C[C@@H]1CCC[N@H+]1C ZINC000584658631 358310482 /nfs/dbraw/zinc/31/04/82/358310482.db2.gz CNELPJUIGSKZGV-LBPRGKRZSA-N 2 1 213.369 0.964 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227081006 358347969 /nfs/dbraw/zinc/34/79/69/358347969.db2.gz BTBGHFPGLBMUSQ-DGCLKSJQSA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@@H]1C[N@@H+](CCC(C)(C)[NH3+])CC[C@@H]1O ZINC000306187758 359003336 /nfs/dbraw/zinc/00/33/36/359003336.db2.gz FFOQMGUMAJBGSQ-ZJUUUORDSA-N 2 1 200.326 0.817 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(N)=O ZINC000246975469 359178901 /nfs/dbraw/zinc/17/89/01/359178901.db2.gz JKKAESDHJJFTBK-MWLCHTKSSA-N 2 1 236.319 0.530 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(N)=O ZINC000246975469 359178902 /nfs/dbraw/zinc/17/89/02/359178902.db2.gz JKKAESDHJJFTBK-MWLCHTKSSA-N 2 1 236.319 0.530 10 0 BCAEMP C[N@H+]1CC[C@H](Oc2ncc(C[NH3+])s2)C1 ZINC000306500363 360268456 /nfs/dbraw/zinc/26/84/56/360268456.db2.gz NFCKIAUSEAHOKX-ZETCQYMHSA-N 2 1 213.306 0.685 10 0 BCAEMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300834369 360530834 /nfs/dbraw/zinc/53/08/34/360530834.db2.gz CYZKOGGWDDOCDV-GMTAPVOTSA-N 2 1 200.326 0.672 10 0 BCAEMP CC(C)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000300834376 360531425 /nfs/dbraw/zinc/53/14/25/360531425.db2.gz CYZKOGGWDDOCDV-HBNTYKKESA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[N@H+](C[C@H](O)C[NH3+])C[C@H](C)S1 ZINC000069908427 361001350 /nfs/dbraw/zinc/00/13/50/361001350.db2.gz SEHDKMXCHCXOED-HRDYMLBCSA-N 2 1 204.339 0.132 10 0 BCAEMP [NH3+]C1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC1 ZINC000147917115 181323746 /nfs/dbraw/zinc/32/37/46/181323746.db2.gz CLEJJSWYEMLGPX-NSHDSACASA-N 2 1 237.347 0.565 10 0 BCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC1 ZINC000147917115 181323748 /nfs/dbraw/zinc/32/37/48/181323748.db2.gz CLEJJSWYEMLGPX-NSHDSACASA-N 2 1 237.347 0.565 10 0 BCAEMP COCCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630357206 364078595 /nfs/dbraw/zinc/07/85/95/364078595.db2.gz CPHZRQBPORIQQC-VXGBXAGGSA-N 2 1 230.352 0.851 10 0 BCAEMP COCCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630357206 364078598 /nfs/dbraw/zinc/07/85/98/364078598.db2.gz CPHZRQBPORIQQC-VXGBXAGGSA-N 2 1 230.352 0.851 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@@H]2CO)CCCC1 ZINC000051254868 181359187 /nfs/dbraw/zinc/35/91/87/181359187.db2.gz MDRFDPOJXCGRIC-LLVKDONJSA-N 2 1 212.337 0.962 10 0 BCAEMP [NH3+]CC1CC[NH+](Cc2ncccn2)CC1 ZINC000054460272 181364749 /nfs/dbraw/zinc/36/47/49/181364749.db2.gz SWRWJYDKRIAGRW-UHFFFAOYSA-N 2 1 206.293 0.647 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864402 364543919 /nfs/dbraw/zinc/54/39/19/364543919.db2.gz XEGFFZAZSXAJOE-NSHDSACASA-N 2 1 227.352 0.489 10 0 BCAEMP [NH3+]CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000037001722 181372705 /nfs/dbraw/zinc/37/27/05/181372705.db2.gz MIBZXXJYLLRKQB-NXEZZACHSA-N 2 1 211.309 0.078 10 0 BCAEMP CCN1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052422398 541514517 /nfs/dbraw/zinc/51/45/17/541514517.db2.gz CRMGOTWCEWFYDY-NEPJUHHUSA-N 2 1 227.352 0.130 10 0 BCAEMP C[C@@H]([NH3+])CCNC(=O)c1csc(C[NH3+])n1 ZINC000381746363 367453978 /nfs/dbraw/zinc/45/39/78/367453978.db2.gz QBBILPSIWIUZOB-ZCFIWIBFSA-N 2 1 228.321 0.069 10 0 BCAEMP COC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000382378320 367512447 /nfs/dbraw/zinc/51/24/47/367512447.db2.gz DYAFPJFSRVMYIQ-RHYQMDGZSA-N 2 1 212.337 0.938 10 0 BCAEMP C[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386179591 367925463 /nfs/dbraw/zinc/92/54/63/367925463.db2.gz XXEOGSLNVWVZLA-GARJFASQSA-N 2 1 200.326 0.878 10 0 BCAEMP COCCOCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838745 369122640 /nfs/dbraw/zinc/12/26/40/369122640.db2.gz UNSOWAVXWYRZMZ-MNOVXSKESA-N 2 1 216.325 0.176 10 0 BCAEMP C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631840876 369311524 /nfs/dbraw/zinc/31/15/24/369311524.db2.gz VSCOAATYTSFOGK-FRRDWIJNSA-N 2 1 242.363 0.709 10 0 BCAEMP CC[C@H](C[NH3+])[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 ZINC000226854958 371752229 /nfs/dbraw/zinc/75/22/29/371752229.db2.gz WELBDZNRTLDYSS-AXFHLTTASA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH3+])C[C@@H]1C ZINC000132194450 371762857 /nfs/dbraw/zinc/76/28/57/371762857.db2.gz QKJZKQGNKUISMN-OUAUKWLOSA-N 2 1 200.326 0.674 10 0 BCAEMP C[C@@H](C[NH3+])[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585118 371899964 /nfs/dbraw/zinc/89/99/64/371899964.db2.gz RYKBUFAFXWVOBT-UWVGGRQHSA-N 2 1 243.351 0.933 10 0 BCAEMP [NH3+]C[C@@H]1C[N@@H+](C2CSC2)CCCO1 ZINC000306562252 372037546 /nfs/dbraw/zinc/03/75/46/372037546.db2.gz CFJFVKMVXHJION-SECBINFHSA-N 2 1 202.323 0.151 10 0 BCAEMP [NH3+]C[C@@H]1C[N@H+](C2CSC2)CCCO1 ZINC000306562252 372037553 /nfs/dbraw/zinc/03/75/53/372037553.db2.gz CFJFVKMVXHJION-SECBINFHSA-N 2 1 202.323 0.151 10 0 BCAEMP C[C@@H](CC[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000133713288 372089091 /nfs/dbraw/zinc/08/90/91/372089091.db2.gz ZXTKMJSIKJRYSW-JTQLQIEISA-N 2 1 214.309 0.563 10 0 BCAEMP C[C@@H](CC[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000133713288 372089097 /nfs/dbraw/zinc/08/90/97/372089097.db2.gz ZXTKMJSIKJRYSW-JTQLQIEISA-N 2 1 214.309 0.563 10 0 BCAEMP C[C@H](CC[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000133713495 372094679 /nfs/dbraw/zinc/09/46/79/372094679.db2.gz ZXTKMJSIKJRYSW-SNVBAGLBSA-N 2 1 214.309 0.563 10 0 BCAEMP C[C@H](CC[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000133713495 372094684 /nfs/dbraw/zinc/09/46/84/372094684.db2.gz ZXTKMJSIKJRYSW-SNVBAGLBSA-N 2 1 214.309 0.563 10 0 BCAEMP CC[C@@](C)(C[NH3+])[C@]1(O)CCC[N@@H+](C)C1 ZINC000134369615 372200050 /nfs/dbraw/zinc/20/00/50/372200050.db2.gz URPFHKKGLCXCBT-QWRGUYRKSA-N 2 1 200.326 0.818 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000631837599 372629573 /nfs/dbraw/zinc/62/95/73/372629573.db2.gz DBNJILZRRVXBDG-ONGXEEELSA-N 2 1 225.336 0.039 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000631837599 372629589 /nfs/dbraw/zinc/62/95/89/372629589.db2.gz DBNJILZRRVXBDG-ONGXEEELSA-N 2 1 225.336 0.039 10 0 BCAEMP COCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839219 372633057 /nfs/dbraw/zinc/63/30/57/372633057.db2.gz BZTCCDBVFMCMRV-DCAQKATOSA-N 2 1 200.326 0.938 10 0 BCAEMP CCOCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839194 372633836 /nfs/dbraw/zinc/63/38/36/372633836.db2.gz BQOKTBCBSJQOAW-WDEREUQCSA-N 2 1 200.326 0.940 10 0 BCAEMP C[C@H]1C[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000631839778 372634521 /nfs/dbraw/zinc/63/45/21/372634521.db2.gz KSGDMLNTHWHVQS-CMPLNLGQSA-N 2 1 212.337 0.940 10 0 BCAEMP COCCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840037 372635983 /nfs/dbraw/zinc/63/59/83/372635983.db2.gz OUYJDRLELVIVHW-MNOVXSKESA-N 2 1 200.326 0.940 10 0 BCAEMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631840235 372636103 /nfs/dbraw/zinc/63/61/03/372636103.db2.gz AYZJHZQQONHPHK-RHYQMDGZSA-N 2 1 241.379 0.816 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840309 372636139 /nfs/dbraw/zinc/63/61/39/372636139.db2.gz BOOOOYWJCWCYNK-GARJFASQSA-N 2 1 227.352 0.428 10 0 BCAEMP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840389 372636458 /nfs/dbraw/zinc/63/64/58/372636458.db2.gz BVACNBHYYYBLEB-SDDRHHMPSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631840389 372636463 /nfs/dbraw/zinc/63/64/63/372636463.db2.gz BVACNBHYYYBLEB-SDDRHHMPSA-N 2 1 241.379 0.674 10 0 BCAEMP C[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631839705 372636912 /nfs/dbraw/zinc/63/69/12/372636912.db2.gz JTWNXBQRIPXPCI-JQWIXIFHSA-N 2 1 212.337 0.940 10 0 BCAEMP CC(C)OCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844405 372642611 /nfs/dbraw/zinc/64/26/11/372642611.db2.gz XCUCKIVBIPXZDK-WDEREUQCSA-N 2 1 200.326 0.938 10 0 BCAEMP OC1(C[N@H+]2CCO[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000051016353 183018858 /nfs/dbraw/zinc/01/88/58/183018858.db2.gz SKPCDHBVKIZULE-NEPJUHHUSA-N 2 1 240.347 0.354 10 0 BCAEMP OCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037917710 183053852 /nfs/dbraw/zinc/05/38/52/183053852.db2.gz YPBFTFSJSRGUNH-NWDGAFQWSA-N 2 1 212.337 0.833 10 0 BCAEMP OCC[NH+]1CCN(CCC[C@H]2CCC[NH2+]2)CC1 ZINC000058267126 183074501 /nfs/dbraw/zinc/07/45/01/183074501.db2.gz IXGLOHNVNKAJQY-CYBMUJFWSA-N 2 1 241.379 0.129 10 0 BCAEMP OC[C@@]1([N@@H+]2CCC[NH2+]CC2)CCSC1 ZINC000038117146 183134361 /nfs/dbraw/zinc/13/43/61/183134361.db2.gz GRPKNPKFWXTOIU-JTQLQIEISA-N 2 1 216.350 0.150 10 0 BCAEMP OC[C@@]1([N@H+]2CCC[NH2+]CC2)CCSC1 ZINC000038117146 183134364 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1 241.379 0.785 10 0 BCAEMP CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000137568056 388563712 /nfs/dbraw/zinc/56/37/12/388563712.db2.gz LFQOZXZIMDTQGN-RYUDHWBXSA-N 2 1 241.379 0.785 10 0 BCAEMP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000137568141 388563749 /nfs/dbraw/zinc/56/37/49/388563749.db2.gz LFQOZXZIMDTQGN-NWDGAFQWSA-N 2 1 241.379 0.785 10 0 BCAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C[NH+](C)C)C1 ZINC000246323028 388630150 /nfs/dbraw/zinc/63/01/50/388630150.db2.gz FSTISTNFMUFNCW-WDEREUQCSA-N 2 1 227.352 0.393 10 0 BCAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C[NH+](C)C)C1 ZINC000246323028 388630152 /nfs/dbraw/zinc/63/01/52/388630152.db2.gz FSTISTNFMUFNCW-WDEREUQCSA-N 2 1 227.352 0.393 10 0 BCAEMP NC(=[NH2+])c1nccnc1N1CC[NH+](C2CC2)CC1 ZINC000054379878 132364585 /nfs/dbraw/zinc/36/45/85/132364585.db2.gz WYOCUHNFZOZTKY-UHFFFAOYSA-N 2 1 246.318 0.045 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000085009383 134220607 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C[C@H]([NH3+])CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000251855746 135078720 /nfs/dbraw/zinc/07/87/20/135078720.db2.gz RYRGPLUZRAKPGS-QJPTWQEYSA-N 2 1 239.363 0.809 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC[N@H+]1C ZINC000252175892 135086093 /nfs/dbraw/zinc/08/60/93/135086093.db2.gz RZJIMMLDNPRCAC-DDHJBXDOSA-N 2 1 239.363 0.713 10 0 BCAEMP Cc1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000261541093 135181302 /nfs/dbraw/zinc/18/13/02/135181302.db2.gz FMXXRPQWRSGNHC-WPRPVWTQSA-N 2 1 227.333 0.121 10 0 BCAEMP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261541314 135181313 /nfs/dbraw/zinc/18/13/13/135181313.db2.gz JSDYCLKLWISTJC-WCQYABFASA-N 2 1 239.363 0.444 10 0 BCAEMP C[C@@]1(C[N@H+]2CC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000261550566 135189284 /nfs/dbraw/zinc/18/92/84/135189284.db2.gz PNZATOBDICAGHZ-NWDGAFQWSA-N 2 1 212.337 0.690 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261551022 135189781 /nfs/dbraw/zinc/18/97/81/135189781.db2.gz LUEPWKHTMQUCPR-BJDJZHNGSA-N 2 1 239.363 0.570 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261551022 135189782 /nfs/dbraw/zinc/18/97/82/135189782.db2.gz LUEPWKHTMQUCPR-BJDJZHNGSA-N 2 1 239.363 0.570 10 0 BCAEMP CN(C)c1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc[nH+]1 ZINC000261553998 135193633 /nfs/dbraw/zinc/19/36/33/135193633.db2.gz ANURYRXIUKRAGK-DCAQKATOSA-N 2 1 247.346 0.716 10 0 BCAEMP C[C@H]1[C@@H](CO)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261554177 135193835 /nfs/dbraw/zinc/19/38/35/135193835.db2.gz UASQZMFNCKYHPX-CMPLNLGQSA-N 2 1 212.337 0.689 10 0 BCAEMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261571631 135214230 /nfs/dbraw/zinc/21/42/30/135214230.db2.gz HQDKIZCEERFYFY-XQQFMLRXSA-N 2 1 224.348 0.954 10 0 BCAEMP CC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261576346 135217807 /nfs/dbraw/zinc/21/78/07/135217807.db2.gz KHMNXCFMBXGGMZ-LLVKDONJSA-N 2 1 227.352 0.587 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]12 ZINC000261583365 135224334 /nfs/dbraw/zinc/22/43/34/135224334.db2.gz OYJSFOZLWHZISI-FBIMIBRVSA-N 2 1 206.293 0.579 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]12 ZINC000261583365 135224337 /nfs/dbraw/zinc/22/43/37/135224337.db2.gz OYJSFOZLWHZISI-FBIMIBRVSA-N 2 1 206.293 0.579 10 0 BCAEMP C[C@H]1C[N@H+](C2CCN(CC[NH3+])CC2)CCO1 ZINC000261585505 135226998 /nfs/dbraw/zinc/22/69/98/135226998.db2.gz QMRPOHPSAFTMPH-NSHDSACASA-N 2 1 227.352 0.130 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261596147 135235606 /nfs/dbraw/zinc/23/56/06/135235606.db2.gz YNXGIQMLHPGWIZ-GARJFASQSA-N 2 1 225.336 0.180 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261596147 135235607 /nfs/dbraw/zinc/23/56/07/135235607.db2.gz YNXGIQMLHPGWIZ-GARJFASQSA-N 2 1 225.336 0.180 10 0 BCAEMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000261638359 135242339 /nfs/dbraw/zinc/24/23/39/135242339.db2.gz DBBFOCAQQUYQBK-QJPTWQEYSA-N 2 1 240.347 0.869 10 0 BCAEMP C[NH2+][C@@H](C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000261702577 135246708 /nfs/dbraw/zinc/24/67/08/135246708.db2.gz JIEOKFSCOMJNCE-GARJFASQSA-N 2 1 227.352 0.583 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC[NH2+]C1 ZINC000261712948 135247868 /nfs/dbraw/zinc/24/78/68/135247868.db2.gz DWLFDSKMNVTPJT-CYDGBPFRSA-N 2 1 224.348 0.689 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261746152 135248842 /nfs/dbraw/zinc/24/88/42/135248842.db2.gz JCGRVUJUUQGFAZ-JQWIXIFHSA-N 2 1 225.336 0.196 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261746152 135248843 /nfs/dbraw/zinc/24/88/43/135248843.db2.gz JCGRVUJUUQGFAZ-JQWIXIFHSA-N 2 1 225.336 0.196 10 0 BCAEMP O=C1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758799 135250977 /nfs/dbraw/zinc/25/09/77/135250977.db2.gz CSQPXQXQOZWOPW-WCQYABFASA-N 2 1 237.347 0.198 10 0 BCAEMP c1nnc([C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000261766547 135251878 /nfs/dbraw/zinc/25/18/78/135251878.db2.gz DISXVAWYHSARCX-NWDGAFQWSA-N 2 1 249.362 0.984 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000261926505 135263890 /nfs/dbraw/zinc/26/38/90/135263890.db2.gz ZNEJQISGOHXJMT-MNOVXSKESA-N 2 1 239.363 0.857 10 0 BCAEMP COCCO[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261930635 135264113 /nfs/dbraw/zinc/26/41/13/135264113.db2.gz LNHVPHQELPKBKI-QWHCGFSZSA-N 2 1 242.363 0.723 10 0 BCAEMP C[N@@H+]1C[C@H]2CN(C[C@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000261951917 135266456 /nfs/dbraw/zinc/26/64/56/135266456.db2.gz OBRMTUXNFQPIHN-RWMBFGLXSA-N 2 1 223.364 0.479 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262110426 135279887 /nfs/dbraw/zinc/27/98/87/135279887.db2.gz GXKSXNBTHMELBS-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP Cc1ccncc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263219347 135340270 /nfs/dbraw/zinc/34/02/70/135340270.db2.gz LNIVJASKCUHBEM-NEPJUHHUSA-N 2 1 221.304 0.060 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000263224754 135340871 /nfs/dbraw/zinc/34/08/71/135340871.db2.gz MQAYMPPGMXEZHU-ZYHUDNBSSA-N 2 1 224.279 0.496 10 0 BCAEMP COc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224162 135341021 /nfs/dbraw/zinc/34/10/21/135341021.db2.gz MNVLKWBBGGSPTO-WCQYABFASA-N 2 1 236.315 0.365 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000263270641 135343423 /nfs/dbraw/zinc/34/34/23/135343423.db2.gz SCNCVMOTAPMGJJ-DGCLKSJQSA-N 2 1 246.314 0.233 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000263315477 135345880 /nfs/dbraw/zinc/34/58/80/135345880.db2.gz ZJIMBJDLRBYXNE-BXKDBHETSA-N 2 1 242.269 0.635 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263306143 135346163 /nfs/dbraw/zinc/34/61/63/135346163.db2.gz XWZQZVYPAUHCPB-YPMHNXCESA-N 2 1 238.306 0.804 10 0 BCAEMP CC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000389214689 398050665 /nfs/dbraw/zinc/05/06/65/398050665.db2.gz CMAJTGCAMHDQQW-CHWSQXEVSA-N 2 1 241.379 0.127 10 0 BCAEMP F[C@H]1COCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000146016520 398014332 /nfs/dbraw/zinc/01/43/32/398014332.db2.gz CQVABQWSZBOBLN-UWVGGRQHSA-N 2 1 202.273 0.455 10 0 BCAEMP CC[N@H+](C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000249906153 398021477 /nfs/dbraw/zinc/02/14/77/398021477.db2.gz HMJMXCPDWSXRRC-ZJUUUORDSA-N 2 1 214.309 0.561 10 0 BCAEMP CC[N@@H+](C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000249906153 398021479 /nfs/dbraw/zinc/02/14/79/398021479.db2.gz HMJMXCPDWSXRRC-ZJUUUORDSA-N 2 1 214.309 0.561 10 0 BCAEMP CC(C)NC(=O)CC[N@@H+]1CCC[NH2+]CC1 ZINC000054047540 167039295 /nfs/dbraw/zinc/03/92/95/167039295.db2.gz DDSLGEDAUXKYCL-UHFFFAOYSA-N 2 1 213.325 0.196 10 0 BCAEMP CC(C)NC(=O)CC[N@H+]1CCC[NH2+]CC1 ZINC000054047540 167039298 /nfs/dbraw/zinc/03/92/98/167039298.db2.gz DDSLGEDAUXKYCL-UHFFFAOYSA-N 2 1 213.325 0.196 10 0 BCAEMP CC(C)[NH2+]CCN(C)CC[NH+]1CCOCC1 ZINC000042691154 167102116 /nfs/dbraw/zinc/10/21/16/167102116.db2.gz FTWJEAROPYTZIB-UHFFFAOYSA-N 2 1 229.368 0.248 10 0 BCAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)OC ZINC000662267111 409570425 /nfs/dbraw/zinc/57/04/25/409570425.db2.gz SBHIAULEBZEABD-YFKTTZPYSA-N 2 1 228.336 0.317 10 0 BCAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)OC ZINC000662267107 409569094 /nfs/dbraw/zinc/56/90/94/409569094.db2.gz SBHIAULEBZEABD-FIQHERPVSA-N 2 1 228.336 0.317 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000665235801 410725880 /nfs/dbraw/zinc/72/58/80/410725880.db2.gz AMLUOQOFPZVOQO-MNOVXSKESA-N 2 1 211.353 0.811 10 0 BCAEMP CC(C)[N@H+]1CC[C@](C[NH3+])(N2CCCC2)C1 ZINC000045658328 167028819 /nfs/dbraw/zinc/02/88/19/167028819.db2.gz WKCCLSQEPUZYBH-GFCCVEGCSA-N 2 1 211.353 0.894 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000036781497 167059658 /nfs/dbraw/zinc/05/96/58/167059658.db2.gz BJJFANGMLXAJSD-RYUDHWBXSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000036781497 167059663 /nfs/dbraw/zinc/05/96/63/167059663.db2.gz BJJFANGMLXAJSD-RYUDHWBXSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)[NH2+]CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812656 167099021 /nfs/dbraw/zinc/09/90/21/167099021.db2.gz WNDVTMPTGREGKD-LBPRGKRZSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)[NH2+]CCCC(=O)NCC[N@@H+](C)C1CC1 ZINC000062010185 167100319 /nfs/dbraw/zinc/10/03/19/167100319.db2.gz OHZRJXMHFGWLIF-UHFFFAOYSA-N 2 1 241.379 0.975 10 0 BCAEMP CC(C)[NH2+]CCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438668 167102379 /nfs/dbraw/zinc/10/23/79/167102379.db2.gz IPSADXPWYSSIII-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)[NH2+]C[C@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000104124437 167114462 /nfs/dbraw/zinc/11/44/62/167114462.db2.gz ODMHMZCLAFXMMI-LBPRGKRZSA-N 2 1 243.395 0.371 10 0 BCAEMP CO[C@@H](C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000399039821 411008235 /nfs/dbraw/zinc/00/82/35/411008235.db2.gz QRWQNLPYMUTXDS-ZDUSSCGKSA-N 2 1 242.363 0.458 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](O)C1 ZINC000401969622 411183989 /nfs/dbraw/zinc/18/39/89/411183989.db2.gz YEOCPPIBCNYRGN-UTUOFQBUSA-N 2 1 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CC[NH2+]C(C)(C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000061288324 170106667 /nfs/dbraw/zinc/10/66/67/170106667.db2.gz AXYQREOGFNZWPM-UHFFFAOYSA-N 2 1 227.352 0.539 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000061298266 170107526 /nfs/dbraw/zinc/10/75/26/170107526.db2.gz HAHGGUYAJWKEMR-JTQLQIEISA-N 2 1 227.352 0.585 10 0 BCAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NC ZINC000054629058 170109249 /nfs/dbraw/zinc/10/92/49/170109249.db2.gz RYABOVUIMHJHAN-YOGCLGLASA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+]CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000053245664 170109826 /nfs/dbraw/zinc/10/98/26/170109826.db2.gz QWEJGTYCMCIEEE-JTQLQIEISA-N 2 1 213.325 0.149 10 0 BCAEMP CC[NH2+]CCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000061298219 170111417 /nfs/dbraw/zinc/11/14/17/170111417.db2.gz YZDORONCBIJYID-LBPRGKRZSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392597 170118734 /nfs/dbraw/zinc/11/87/34/170118734.db2.gz RANCBBHDYXWHRA-CYBMUJFWSA-N 3 1 243.395 0.230 10 0 BCAEMP CC[NH2+]C[C@H](O)C[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000042615922 170122297 /nfs/dbraw/zinc/12/22/97/170122297.db2.gz NXMHNEQMKJTRJL-AAEUAGOBSA-N 2 1 244.379 0.704 10 0 BCAEMP CC[NH2+]C[C@H]1CCCN1c1[nH+]ccn1C ZINC000053696888 170122450 /nfs/dbraw/zinc/12/24/50/170122450.db2.gz NRGOCULOPWPDOT-SNVBAGLBSA-N 2 1 208.309 0.998 10 0 BCAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000104414848 170140966 /nfs/dbraw/zinc/14/09/66/170140966.db2.gz PXVCVRLABNZLJH-QWHCGFSZSA-N 2 1 244.379 0.705 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000049648943 170152676 /nfs/dbraw/zinc/15/26/76/170152676.db2.gz XSDAOKGSQIFBNM-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP CC[NH2+][C@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000040715857 170167658 /nfs/dbraw/zinc/16/76/58/170167658.db2.gz DYKWAFPZQJVGDU-NWDGAFQWSA-N 2 1 211.353 0.764 10 0 BCAEMP CC[NH2+][C@H]1CCN(C[C@H]2CC[N@@H+](C)C2)C1=O ZINC000049648818 170167850 /nfs/dbraw/zinc/16/78/50/170167850.db2.gz OMGHGCVJJREQCS-QWRGUYRKSA-N 2 1 225.336 0.149 10 0 BCAEMP CCOC(=O)CC[N@H+](C)CC[C@H](C[NH3+])OCC ZINC000103917733 170203524 /nfs/dbraw/zinc/20/35/24/170203524.db2.gz IMZRIIJBWSAEQF-LLVKDONJSA-N 2 1 246.351 0.625 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946173 411563025 /nfs/dbraw/zinc/56/30/25/411563025.db2.gz XTDSIEYKPXKMNE-SNVBAGLBSA-N 2 1 227.352 0.585 10 0 BCAEMP Nc1ccc(C2CCN(CC[NH3+])CC2)c[nH+]1 ZINC000616619637 411976218 /nfs/dbraw/zinc/97/62/18/411976218.db2.gz PQWSYGZPPFJEQA-UHFFFAOYSA-N 2 1 220.320 0.802 10 0 BCAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)CCC[NH2+]1 ZINC000049666972 171011201 /nfs/dbraw/zinc/01/12/01/171011201.db2.gz LWWGRCJXJHMJCU-CHWSQXEVSA-N 2 1 242.363 0.866 10 0 BCAEMP CC[C@@H]1CN(C(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000104145393 171065158 /nfs/dbraw/zinc/06/51/58/171065158.db2.gz DBFZZEDSTJCUDN-LLVKDONJSA-N 2 1 240.351 0.038 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261551629 171085730 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CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000662418768 412159651 /nfs/dbraw/zinc/15/96/51/412159651.db2.gz TZHRZIBVHOHCBQ-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000662418768 412159653 /nfs/dbraw/zinc/15/96/53/412159653.db2.gz TZHRZIBVHOHCBQ-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP C[NH2+]CCOCCNc1[nH+]cnc2[nH]ccc21 ZINC000630529669 412291320 /nfs/dbraw/zinc/29/13/20/412291320.db2.gz BURHZSYAHKNVBC-UHFFFAOYSA-N 2 1 235.291 0.606 10 0 BCAEMP C[NH2+]CCOCCNc1cc[nH+]c(N(C)C)n1 ZINC000630530868 412292169 /nfs/dbraw/zinc/29/21/69/412292169.db2.gz SCPBLBPVUSRQFA-UHFFFAOYSA-N 2 1 239.323 0.191 10 0 BCAEMP C[NH2+]C[C@@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000663278378 412407322 /nfs/dbraw/zinc/40/73/22/412407322.db2.gz HNLGCJVZEHVADZ-MRVPVSSYSA-N 2 1 209.297 0.562 10 0 BCAEMP CCc1[nH+]ccn1[C@H]1COCC[C@@H]1[NH2+]C ZINC000044036627 172029462 /nfs/dbraw/zinc/02/94/62/172029462.db2.gz LCCYDTLZUMRTNY-UWVGGRQHSA-N 2 1 209.293 0.995 10 0 BCAEMP 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BCAEMP Cn1nccc1[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C ZINC000164782869 173041466 /nfs/dbraw/zinc/04/14/66/173041466.db2.gz FLZFBJPUNPHGCU-MWLCHTKSSA-N 2 1 208.309 0.762 10 0 BCAEMP C[N@H+]1CCC[C@H](N2CCC[NH2+]CCC2)C1 ZINC000049667052 173044474 /nfs/dbraw/zinc/04/44/74/173044474.db2.gz RLDCCQNDZHJCAA-LBPRGKRZSA-N 2 1 211.353 0.766 10 0 BCAEMP CN1CC[NH+](CC2(C[NH3+])CCCC2)CC1 ZINC000049815053 173080559 /nfs/dbraw/zinc/08/05/59/173080559.db2.gz UAOJYCXPFSEAGZ-UHFFFAOYSA-N 2 1 211.353 0.753 10 0 BCAEMP C[NH+]1CCN([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000019385149 173092852 /nfs/dbraw/zinc/09/28/52/173092852.db2.gz DYBQAAHRLMQXJU-LBPRGKRZSA-N 2 1 220.320 0.329 10 0 BCAEMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000044542066 173109641 /nfs/dbraw/zinc/10/96/41/173109641.db2.gz RXOVRVVJHCBRCL-GHMZBOCLSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000044501250 173111030 /nfs/dbraw/zinc/11/10/30/173111030.db2.gz XVABJAPBSIPPPP-GHMZBOCLSA-N 2 1 225.336 0.054 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1nccnc1C[NH3+] ZINC000071187573 173112932 /nfs/dbraw/zinc/11/29/32/173112932.db2.gz BSOVBNHNUVVKJQ-SNVBAGLBSA-N 2 1 235.335 0.323 10 0 BCAEMP CN1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000304303482 173120582 /nfs/dbraw/zinc/12/05/82/173120582.db2.gz PJNFZMYQYCLSHB-NXEZZACHSA-N 2 1 225.336 0.276 10 0 BCAEMP CN1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000304303482 173120584 /nfs/dbraw/zinc/12/05/84/173120584.db2.gz PJNFZMYQYCLSHB-NXEZZACHSA-N 2 1 225.336 0.276 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000042548915 173121547 /nfs/dbraw/zinc/12/15/47/173121547.db2.gz OHIZPTKHCAFDLP-RKDXNWHRSA-N 2 1 213.325 0.180 10 0 BCAEMP C[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000042548928 173122055 /nfs/dbraw/zinc/12/20/55/173122055.db2.gz MHQPFQIZLXPWGJ-VXGBXAGGSA-N 2 1 233.315 0.507 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000042548928 173122058 /nfs/dbraw/zinc/12/20/58/173122058.db2.gz MHQPFQIZLXPWGJ-VXGBXAGGSA-N 2 1 233.315 0.507 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C(C)(C)C)C1 ZINC000077558853 173144857 /nfs/dbraw/zinc/14/48/57/173144857.db2.gz PBBMBDVLQNOLNX-ZJUUUORDSA-N 2 1 227.352 0.428 10 0 BCAEMP C[N@@H+]1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC000037485082 173146463 /nfs/dbraw/zinc/14/64/63/173146463.db2.gz GUQGLRIPNVYVCP-LLVKDONJSA-N 2 1 225.336 0.150 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC000037485082 173146466 /nfs/dbraw/zinc/14/64/66/173146466.db2.gz GUQGLRIPNVYVCP-LLVKDONJSA-N 2 1 225.336 0.150 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COC(C)(C)C)C1 ZINC000037894108 173147160 /nfs/dbraw/zinc/14/71/60/173147160.db2.gz DYDAWUGIQFYDRI-VXGBXAGGSA-N 2 1 244.379 0.704 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000042549416 173150349 /nfs/dbraw/zinc/15/03/49/173150349.db2.gz YNTPCXSPUTZPTP-QWRGUYRKSA-N 2 1 225.336 0.339 10 0 BCAEMP CN(Cc1cscn1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990701 173162173 /nfs/dbraw/zinc/16/21/73/173162173.db2.gz ZLLSJQPSYCXJOG-LLVKDONJSA-N 2 1 240.376 0.608 10 0 BCAEMP CN(Cc1cscn1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990701 173162176 /nfs/dbraw/zinc/16/21/76/173162176.db2.gz ZLLSJQPSYCXJOG-LLVKDONJSA-N 2 1 240.376 0.608 10 0 BCAEMP CN(Cc1ccoc1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990453 173162382 /nfs/dbraw/zinc/16/23/82/173162382.db2.gz QVCGFYLKZVOFLI-GFCCVEGCSA-N 2 1 223.320 0.744 10 0 BCAEMP C[N@@H+]1CCc2nc([C@H](O)C[NH3+])sc2C1 ZINC000076166558 173174185 /nfs/dbraw/zinc/17/41/85/173174185.db2.gz XXXKSWCJEQXQDD-SSDOTTSWSA-N 2 1 213.306 0.123 10 0 BCAEMP C[N@H+]1CCc2nc([C@H](O)C[NH3+])sc2C1 ZINC000076166558 173174187 /nfs/dbraw/zinc/17/41/87/173174187.db2.gz XXXKSWCJEQXQDD-SSDOTTSWSA-N 2 1 213.306 0.123 10 0 BCAEMP CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC000037757986 173294132 /nfs/dbraw/zinc/29/41/32/173294132.db2.gz UOTNADIHNFLBJK-SNVBAGLBSA-N 2 1 235.331 0.712 10 0 BCAEMP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](C)C[NH3+] ZINC000042408606 173305948 /nfs/dbraw/zinc/30/59/48/173305948.db2.gz PJPBDJXSNUDIPU-VHSXEESVSA-N 2 1 213.325 0.182 10 0 BCAEMP CNC(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040614 173310615 /nfs/dbraw/zinc/31/06/15/173310615.db2.gz DPCOFUHERNKADW-UHFFFAOYSA-N 2 1 247.342 0.888 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000061316570 173318265 /nfs/dbraw/zinc/31/82/65/173318265.db2.gz JTTXKWBOXSUEDU-SECBINFHSA-N 2 1 213.325 0.052 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000061319010 173318572 /nfs/dbraw/zinc/31/85/72/173318572.db2.gz FCOQYANBAHVQEU-JTQLQIEISA-N 2 1 227.352 0.585 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000061319005 173318659 /nfs/dbraw/zinc/31/86/59/173318659.db2.gz NAUQYTPRWBJZBW-JTQLQIEISA-N 2 1 227.352 0.442 10 0 BCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC(N)=O ZINC000054602147 173324276 /nfs/dbraw/zinc/32/42/76/173324276.db2.gz UYBKTWIXSJVWEN-YOGCLGLASA-N 2 1 239.363 0.857 10 0 BCAEMP C[NH2+]CC1CC[NH+](Cc2nnc(C)n2C)CC1 ZINC000063166078 173338814 /nfs/dbraw/zinc/33/88/14/173338814.db2.gz CJQJNACOFCQZDS-UHFFFAOYSA-N 2 1 237.351 0.555 10 0 BCAEMP C[NH2+]CCCCCC(=O)N1CC[NH+](C)CC1 ZINC000077341751 173345038 /nfs/dbraw/zinc/34/50/38/173345038.db2.gz WGDCURRRMAGPDT-UHFFFAOYSA-N 2 1 227.352 0.540 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000019864028 173365016 /nfs/dbraw/zinc/36/50/16/173365016.db2.gz DPMIODYQLXRLPL-OUAUKWLOSA-N 2 1 200.326 0.830 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@H](Cn2cc[nH+]c2C)O1 ZINC000052576179 173372068 /nfs/dbraw/zinc/37/20/68/173372068.db2.gz PRPKSSOFHFBZNH-WDEREUQCSA-N 2 1 209.293 0.959 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000052377916 173382927 /nfs/dbraw/zinc/38/29/27/173382927.db2.gz ATRRECAGFPPINA-GHMZBOCLSA-N 2 1 214.309 0.086 10 0 BCAEMP C[NH2+]C[C@]1(C[N@H+]2CCC[C@H](O)C2)CCOC1 ZINC000051257185 173384165 /nfs/dbraw/zinc/38/41/65/173384165.db2.gz CNKDZARULUTBBJ-RYUDHWBXSA-N 2 1 228.336 0.069 10 0 BCAEMP COC1CCN([C@]2(C[NH3+])CC[N@@H+](C)C2)CC1 ZINC000061990226 174032396 /nfs/dbraw/zinc/03/23/96/174032396.db2.gz UDCSTWALPYFXBA-LBPRGKRZSA-N 2 1 227.352 0.130 10 0 BCAEMP COCCN(C)CC[NH2+]CCn1cc[nH+]c1C ZINC000061378313 174277655 /nfs/dbraw/zinc/27/76/55/174277655.db2.gz ZRXNYDNXNPYEEF-UHFFFAOYSA-N 2 1 240.351 0.359 10 0 BCAEMP COCC[NH+](CCOC)CC[C@@H]1CCC[NH2+]1 ZINC000042443016 174296383 /nfs/dbraw/zinc/29/63/83/174296383.db2.gz TUGBBSKLSDMTFW-LBPRGKRZSA-N 2 1 230.352 0.723 10 0 BCAEMP COCC[NH2+]Cc1csc(CC[NH+](C)C)n1 ZINC000082688179 174335698 /nfs/dbraw/zinc/33/56/98/174335698.db2.gz POXINDVSSYTUHD-UHFFFAOYSA-N 2 1 243.376 0.983 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000225813556 487629674 /nfs/dbraw/zinc/62/96/74/487629674.db2.gz BNLPHFAWFRSSFM-QWRGUYRKSA-N 2 1 227.352 0.570 10 0 BCAEMP CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C(C)C)C1CC1 ZINC000225813676 487630026 /nfs/dbraw/zinc/63/00/26/487630026.db2.gz LGTQLHOLNBXAHZ-GFCCVEGCSA-N 2 1 241.379 0.960 10 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0.293 10 0 BCAEMP C[C@@H]1CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000051793078 176111566 /nfs/dbraw/zinc/11/15/66/176111566.db2.gz XSIMOEJDTCJRQF-WOPDTQHZSA-N 2 1 239.363 0.442 10 0 BCAEMP C[C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)CC[NH2+]1 ZINC000049662311 176179901 /nfs/dbraw/zinc/17/99/01/176179901.db2.gz QWPKVWSVGLIYFM-VXGBXAGGSA-N 2 1 211.353 0.764 10 0 BCAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cnn(C)c1 ZINC000050540135 176202421 /nfs/dbraw/zinc/20/24/21/176202421.db2.gz DSCLETNBHSMZDY-MNOVXSKESA-N 2 1 222.336 0.979 10 0 BCAEMP C[C@@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)CCCO1 ZINC000061918627 176285439 /nfs/dbraw/zinc/28/54/39/176285439.db2.gz YFDAEOQNGKHIQN-LLVKDONJSA-N 2 1 228.336 0.212 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1[NH3+] ZINC000235380115 176319842 /nfs/dbraw/zinc/31/98/42/176319842.db2.gz PGEZWPUVLWOURT-BDAKNGLRSA-N 2 1 221.308 0.326 10 0 BCAEMP C[C@@H]1COCC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052181621 176336012 /nfs/dbraw/zinc/33/60/12/176336012.db2.gz UVGUKLXWXMYILA-LLVKDONJSA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@@H]1COCC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052181621 176336013 /nfs/dbraw/zinc/33/60/13/176336013.db2.gz UVGUKLXWXMYILA-LLVKDONJSA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CC[N@H+]1C ZINC000336679054 176376946 /nfs/dbraw/zinc/37/69/46/176376946.db2.gz WZLKVXLPENRHHM-MNOVXSKESA-N 2 1 223.324 0.350 10 0 BCAEMP C[C@H](c1cnn(C)c1)[NH+]1CCC([NH3+])CC1 ZINC000044500871 177052085 /nfs/dbraw/zinc/05/20/85/177052085.db2.gz AQIGIXAPTQIFSY-SECBINFHSA-N 2 1 208.309 0.904 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000019685512 177075800 /nfs/dbraw/zinc/07/58/00/177075800.db2.gz JYSFVDJQVZUSOT-NSHDSACASA-N 2 1 212.337 0.975 10 0 BCAEMP C[C@H]1CC[N@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000082643387 177159585 /nfs/dbraw/zinc/15/95/85/177159585.db2.gz YIOAISQEVXRNIV-QWRGUYRKSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@H]1CC[N@@H+](CCC(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000082643387 177159587 /nfs/dbraw/zinc/15/95/87/177159587.db2.gz YIOAISQEVXRNIV-QWRGUYRKSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@@H]1CC[N@H+](C[C@@H]2COCCO2)CC[C@H](C)[NH2+]1 ZINC000049666983 177161530 /nfs/dbraw/zinc/16/15/30/177161530.db2.gz VCQTVCRCOOFYNY-FRRDWIJNSA-N 2 1 242.363 0.864 10 0 BCAEMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1[C@@H]1CCCC[C@@H]1N ZINC000042438595 177198031 /nfs/dbraw/zinc/19/80/31/177198031.db2.gz NCYUOIGLPBZHNU-FIQHERPVSA-N 2 1 239.363 0.842 10 0 BCAEMP C[C@H]1CC[C@H](C(N)=O)CN1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042438595 177198032 /nfs/dbraw/zinc/19/80/32/177198032.db2.gz NCYUOIGLPBZHNU-FIQHERPVSA-N 2 1 239.363 0.842 10 0 BCAEMP Cc1cnn(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400483602 226344565 /nfs/dbraw/zinc/34/45/65/226344565.db2.gz CRGBVLARAHNMJU-VXGBXAGGSA-N 2 1 222.336 0.922 10 0 BCAEMP C[C@H]1CN(CCCc2c[nH+]cn2C)C[C@H]1[NH3+] ZINC000314925464 487669675 /nfs/dbraw/zinc/66/96/75/487669675.db2.gz QBBBQMYRKUNPEO-CMPLNLGQSA-N 2 1 222.336 0.632 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250563717 487735540 /nfs/dbraw/zinc/73/55/40/487735540.db2.gz CWYICFPSMVCHAN-WOPDTQHZSA-N 2 1 239.363 0.429 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000250630305 487736567 /nfs/dbraw/zinc/73/65/67/487736567.db2.gz QYNJQLWOEXWUDI-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000089461989 487823935 /nfs/dbraw/zinc/82/39/35/487823935.db2.gz YBDKCFYANLFRPI-ZYHUDNBSSA-N 2 1 239.363 0.572 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H]1C[NH2+]CCO1 ZINC000252570687 487827063 /nfs/dbraw/zinc/82/70/63/487827063.db2.gz AITUYAOZUWXENY-CHWSQXEVSA-N 2 1 241.379 0.391 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410656 487859122 /nfs/dbraw/zinc/85/91/22/487859122.db2.gz QFVFJEUSZMZVSU-SRVKXCTJSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227454100 487909452 /nfs/dbraw/zinc/90/94/52/487909452.db2.gz SSMHAABMDSFMBX-DCAQKATOSA-N 2 1 225.336 0.419 10 0 BCAEMP CC(C)[NH2+]CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455511 487909537 /nfs/dbraw/zinc/90/95/37/487909537.db2.gz VJBJLBIWPWQUSD-RYUDHWBXSA-N 2 1 239.363 0.680 10 0 BCAEMP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000220564421 487990293 /nfs/dbraw/zinc/99/02/93/487990293.db2.gz QRAJFPKFXSCQCT-QWHCGFSZSA-N 2 1 239.363 0.002 10 0 BCAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221166277 488021532 /nfs/dbraw/zinc/02/15/32/488021532.db2.gz JOJJYDGFPAEKIY-NWDGAFQWSA-N 2 1 241.379 0.818 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000389170449 488079672 /nfs/dbraw/zinc/07/96/72/488079672.db2.gz NSMFRQOPHROKJI-GHMZBOCLSA-N 2 1 227.352 0.714 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000136408985 488101501 /nfs/dbraw/zinc/10/15/01/488101501.db2.gz ZLFYQCZZVJNOTH-GFCCVEGCSA-N 2 1 239.363 0.666 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000136445082 488103479 /nfs/dbraw/zinc/10/34/79/488103479.db2.gz NXCUJVTUGOFHLJ-NEPJUHHUSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC1([NH3+])CC1 ZINC000398048216 488190996 /nfs/dbraw/zinc/19/09/96/488190996.db2.gz CEWVIBHHYQEVFQ-NSHDSACASA-N 2 1 239.363 0.811 10 0 BCAEMP O=C(C[NH2+]C1CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812645 490168528 /nfs/dbraw/zinc/16/85/28/490168528.db2.gz SNYPRRDQTHTGEO-LLVKDONJSA-N 2 1 223.320 0.045 10 0 BCAEMP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309131195 491145410 /nfs/dbraw/zinc/14/54/10/491145410.db2.gz RAKKRBWORDSUIM-MNOVXSKESA-N 2 1 212.337 0.689 10 0 BCAEMP COC[C@@H]1CCO[C@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146252 582529604 /nfs/dbraw/zinc/52/96/04/582529604.db2.gz JVLRKECTNZYZBX-RYUDHWBXSA-N 2 1 228.336 0.823 10 0 BCAEMP COC[C@@H]1CCO[C@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146252 582529606 /nfs/dbraw/zinc/52/96/06/582529606.db2.gz JVLRKECTNZYZBX-RYUDHWBXSA-N 2 1 228.336 0.823 10 0 BCAEMP NC(=O)[C@@H]1CC[N@@H+]1[C@H]1CCCC[C@H]1C[NH3+] ZINC000757151804 582536331 /nfs/dbraw/zinc/53/63/31/582536331.db2.gz XQJWIYUFXIRNKC-GUBZILKMSA-N 2 1 211.309 0.064 10 0 BCAEMP NC(=O)[C@@H]1CC[N@H+]1[C@H]1CCCC[C@H]1C[NH3+] ZINC000757151804 582536332 /nfs/dbraw/zinc/53/63/32/582536332.db2.gz XQJWIYUFXIRNKC-GUBZILKMSA-N 2 1 211.309 0.064 10 0 BCAEMP C[C@H](NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400434913 533910465 /nfs/dbraw/zinc/91/04/65/533910465.db2.gz LAXBCZKIEAMENT-SRVKXCTJSA-N 2 1 227.352 0.047 10 0 BCAEMP C[C@H](NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]1 ZINC000400434913 533910473 /nfs/dbraw/zinc/91/04/73/533910473.db2.gz LAXBCZKIEAMENT-SRVKXCTJSA-N 2 1 227.352 0.047 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]([NH2+]C(C)C)C(N)=O ZINC000045432862 582879565 /nfs/dbraw/zinc/87/95/65/582879565.db2.gz KKRAXUJBTKBTFJ-VIFPVBQESA-N 2 1 210.281 0.043 10 0 BCAEMP CC(C)[N@@H+](C)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400347800 528824199 /nfs/dbraw/zinc/82/41/99/528824199.db2.gz IISFDNAJHHQZMD-NEPJUHHUSA-N 2 1 213.369 0.914 10 0 BCAEMP C[NH2+][C@H](C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000261702582 536391944 /nfs/dbraw/zinc/39/19/44/536391944.db2.gz JIEOKFSCOMJNCE-MXWKQRLJSA-N 2 1 227.352 0.583 10 0 BCAEMP C[C@@H]([C@H]([NH3+])C(N)=O)n1cc[nH+]c1C1CC1 ZINC000704164045 582938503 /nfs/dbraw/zinc/93/85/03/582938503.db2.gz CVXCBBCQWREJOZ-XPUUQOCRSA-N 2 1 208.265 0.134 10 0 BCAEMP CC[NH+]1CCC2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757146205 582529464 /nfs/dbraw/zinc/52/94/64/582529464.db2.gz RFZXAUFESSVBEC-UHFFFAOYSA-N 2 1 226.320 0.435 10 0 BCAEMP COC[C@@H]1CCO[C@@]2(CCC[N@H+](C)CC2)[NH2+]1 ZINC000757146248 582529809 /nfs/dbraw/zinc/52/98/09/582529809.db2.gz JVLRKECTNZYZBX-NWDGAFQWSA-N 2 1 228.336 0.823 10 0 BCAEMP COC[C@@H]1CCO[C@@]2(CCC[N@@H+](C)CC2)[NH2+]1 ZINC000757146248 582529811 /nfs/dbraw/zinc/52/98/11/582529811.db2.gz JVLRKECTNZYZBX-NWDGAFQWSA-N 2 1 228.336 0.823 10 0 BCAEMP C1CC1[NH+]1CCC2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757147085 582530344 /nfs/dbraw/zinc/53/03/44/582530344.db2.gz RXPJKCVYAIYHOA-UHFFFAOYSA-N 2 1 238.331 0.577 10 0 BCAEMP CC(C)(C)[C@H](C[NH3+])C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757148902 582532640 /nfs/dbraw/zinc/53/26/40/582532640.db2.gz UIDXSDUACRAFJO-RKDXNWHRSA-N 2 1 213.325 0.167 10 0 BCAEMP CC(C)(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H]1C(N)=O ZINC000757148902 582532642 /nfs/dbraw/zinc/53/26/42/582532642.db2.gz UIDXSDUACRAFJO-RKDXNWHRSA-N 2 1 213.325 0.167 10 0 BCAEMP C[NH+]1CCC2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757150149 582533602 /nfs/dbraw/zinc/53/36/02/582533602.db2.gz XPIIMYNREYYNGE-UHFFFAOYSA-N 2 1 212.293 0.045 10 0 BCAEMP CCOC(=O)[C@H]1C[NH2+]C[C@@]12CCC[N@@H+](C)CC2 ZINC000757184934 582554712 /nfs/dbraw/zinc/55/47/12/582554712.db2.gz PEKLYHMKDQZKTQ-YPMHNXCESA-N 2 1 240.347 0.871 10 0 BCAEMP CC(C)c1[nH+]ccn1C[C@@](C)([NH3+])C(N)=O ZINC000045430524 582815013 /nfs/dbraw/zinc/81/50/13/582815013.db2.gz OVGMAAJHLYSFSV-SNVBAGLBSA-N 2 1 210.281 0.209 10 0 BCAEMP C[C@H](CCCCO)[NH2+]C1CC[NH+](CCO)CC1 ZINC000399099106 583170284 /nfs/dbraw/zinc/17/02/84/583170284.db2.gz ZNYOBWNLONORGC-GFCCVEGCSA-N 2 1 244.379 0.584 10 0 BCAEMP C[C@@H]1CNCC[N@H+]1[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675054387 583929895 /nfs/dbraw/zinc/92/98/95/583929895.db2.gz VQGYJNNCZNONFR-GRYCIOLGSA-N 2 1 211.353 0.798 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675054387 583929897 /nfs/dbraw/zinc/92/98/97/583929897.db2.gz VQGYJNNCZNONFR-GRYCIOLGSA-N 2 1 211.353 0.798 10 0 BCAEMP C[N@@H+]1CC[C@@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757184014 586434182 /nfs/dbraw/zinc/43/41/82/586434182.db2.gz GVTSZJWNMQXYAH-GXFFZTMASA-N 2 1 240.347 0.869 10 0 BCAEMP C[N@H+]1CC[C@@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757184014 586434183 /nfs/dbraw/zinc/43/41/83/586434183.db2.gz GVTSZJWNMQXYAH-GXFFZTMASA-N 2 1 240.347 0.869 10 0 BCAEMP C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)C1 ZINC000757184016 586434217 /nfs/dbraw/zinc/43/42/17/586434217.db2.gz GVTSZJWNMQXYAH-ZWNOBZJWSA-N 2 1 240.347 0.869 10 0 BCAEMP C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)C1 ZINC000757184016 586434218 /nfs/dbraw/zinc/43/42/18/586434218.db2.gz GVTSZJWNMQXYAH-ZWNOBZJWSA-N 2 1 240.347 0.869 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)cc1 ZINC000757207767 586437795 /nfs/dbraw/zinc/43/77/95/586437795.db2.gz BUVVCPGJQOGJHT-OLZOCXBDSA-N 3 1 219.332 0.940 10 0 BCAEMP N[C@H]1C[NH2+]C[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000757219261 586442325 /nfs/dbraw/zinc/44/23/25/586442325.db2.gz WGYUNTKYIKLAIY-VXGBXAGGSA-N 2 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2CC[NH2+]C[C@H]2[NH3+])c1 ZINC000757219284 586442344 /nfs/dbraw/zinc/44/23/44/586442344.db2.gz WKVSJAKWZBRIHR-VXGBXAGGSA-N 3 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2CCNC[C@H]2[NH3+])c1 ZINC000757219284 586442346 /nfs/dbraw/zinc/44/23/46/586442346.db2.gz WKVSJAKWZBRIHR-VXGBXAGGSA-N 2 1 205.305 0.550 10 0 BCAEMP CCn1cc([C@H]2CC[C@H](C[NH3+])[NH2+]C2)cn1 ZINC000757227313 586442596 /nfs/dbraw/zinc/44/25/96/586442596.db2.gz 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ZINC000250581326 635700065 /nfs/dbraw/zinc/70/00/65/635700065.db2.gz JMILMWISPAMRHD-UPJWGTAASA-N 2 1 244.379 0.974 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000250581326 635700091 /nfs/dbraw/zinc/70/00/91/635700091.db2.gz JMILMWISPAMRHD-UPJWGTAASA-N 2 1 244.379 0.974 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310450188 636054345 /nfs/dbraw/zinc/05/43/45/636054345.db2.gz VJMOEAXFCWUKTN-QNWHQSFQSA-N 2 1 242.363 0.441 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310375211 634135202 /nfs/dbraw/zinc/13/52/02/634135202.db2.gz ZLUFMNGAYBAYOT-UPJWGTAASA-N 2 1 242.363 0.456 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000310375211 634135206 /nfs/dbraw/zinc/13/52/06/634135206.db2.gz ZLUFMNGAYBAYOT-UPJWGTAASA-N 2 1 242.363 0.456 10 0 BCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1CC([NH3+])C1 ZINC000258818075 635207226 /nfs/dbraw/zinc/20/72/26/635207226.db2.gz XWEUEPRZMAAYHQ-UNXYVOJBSA-N 2 1 239.363 0.524 10 0 BCAEMP C[NH2+][C@@](C)(CCCn1cc[nH+]c1C)C(N)=O ZINC000045432578 640556438 /nfs/dbraw/zinc/55/64/38/640556438.db2.gz JLQVMKBZGWINNU-NSHDSACASA-N 2 1 224.308 0.435 10 0 BCAEMP C[NH2+][C@](C)(Cn1cc[nH+]c1C(C)C)C(N)=O ZINC000045430603 640557840 /nfs/dbraw/zinc/55/78/40/640557840.db2.gz UTUPGQWEXIWGAH-LLVKDONJSA-N 2 1 224.308 0.470 10 0 BCAEMP Cc1[nH+]ccn1C[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045433023 640558016 /nfs/dbraw/zinc/55/80/16/640558016.db2.gz FORDLHTVCRNNAQ-NSHDSACASA-N 2 1 224.308 0.434 10 0 BCAEMP C[NH+]1CCC(C)(CN[C@H]2CC[NH2+]C2)CC1 ZINC000226346329 640752691 /nfs/dbraw/zinc/75/26/91/640752691.db2.gz GHMAZHBGVQCBLG-NSHDSACASA-N 2 1 211.353 0.670 10 0 BCAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000324457751 641874990 /nfs/dbraw/zinc/87/49/90/641874990.db2.gz XHRRYCRDLXKJMH-UWVGGRQHSA-N 2 1 200.326 0.735 10 0 BCAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1cccc(C=O)c1 ZINC000757211185 643371422 /nfs/dbraw/zinc/37/14/22/643371422.db2.gz GSKPYXQNVWLJOE-NWDGAFQWSA-N 2 1 204.273 0.903 10 0 BCAEMP C[C@H]([NH3+])CN(C)c1cc[nH+]c(N(C)C)n1 ZINC000082924645 643388059 /nfs/dbraw/zinc/38/80/59/643388059.db2.gz WTMNALBMTQQWHX-QMMMGPOBSA-N 2 1 209.297 0.326 10 0 BCAEMP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C1)c1ccco1 ZINC000086725097 644469722 /nfs/dbraw/zinc/46/97/22/644469722.db2.gz VJDYEUTXNJSGBE-QWRGUYRKSA-N 2 1 223.320 0.834 10 0 BCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000094647131 644723168 /nfs/dbraw/zinc/72/31/68/644723168.db2.gz QYDDSVYMUUHCKV-RYUDHWBXSA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000094647129 644723953 /nfs/dbraw/zinc/72/39/53/644723953.db2.gz QYDDSVYMUUHCKV-NWDGAFQWSA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1CO ZINC000708560368 712212919 /nfs/dbraw/zinc/21/29/19/712212919.db2.gz ZCQLPZFKSUEZHZ-FRRDWIJNSA-N 2 1 242.363 0.003 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOC3CC3)C[C@@H]12 ZINC000711754386 712325177 /nfs/dbraw/zinc/32/51/77/712325177.db2.gz VIPVFAZZRSKLGV-MVWJERBFSA-N 2 1 210.321 0.835 10 0 BCAEMP COC1CC(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000708851857 712373845 /nfs/dbraw/zinc/37/38/45/712373845.db2.gz DHVCJGQMNRYDOQ-UZEXVOJHSA-N 2 1 212.337 0.938 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000715104842 712508809 /nfs/dbraw/zinc/50/88/09/712508809.db2.gz RYRGPLUZRAKPGS-UTUOFQBUSA-N 2 1 239.363 0.809 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720905309 712876826 /nfs/dbraw/zinc/87/68/26/712876826.db2.gz ZGWIJQZXEMGTNN-SRVKXCTJSA-N 2 1 239.363 0.809 10 0 BCAEMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000723962453 711548282 /nfs/dbraw/zinc/54/82/82/711548282.db2.gz HVVSRFYOVMPUOZ-QJPTWQEYSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000723962453 711548285 /nfs/dbraw/zinc/54/82/85/711548285.db2.gz HVVSRFYOVMPUOZ-QJPTWQEYSA-N 2 1 234.347 0.898 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@@H]3CCOC3)C[C@H]12 ZINC000724919771 711627949 /nfs/dbraw/zinc/62/79/49/711627949.db2.gz AGYOJVPDEKJSGF-FVCCEPFGSA-N 2 1 240.347 0.461 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227709121 711832596 /nfs/dbraw/zinc/83/25/96/711832596.db2.gz YJDFYXVLVXBONU-QJPTWQEYSA-N 2 1 230.352 0.584 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000708847656 712200743 /nfs/dbraw/zinc/20/07/43/712200743.db2.gz DBWXPQICAKVENR-HRDYMLBCSA-N 2 1 240.269 0.826 10 0 BCAEMP COCC1CC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000714008924 712477319 /nfs/dbraw/zinc/47/73/19/712477319.db2.gz USLWOHHYHWXZGE-GCZXYKMCSA-N 2 1 242.363 0.456 10 0 BCAEMP COCC1CC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000714008924 712477320 /nfs/dbraw/zinc/47/73/20/712477320.db2.gz USLWOHHYHWXZGE-GCZXYKMCSA-N 2 1 242.363 0.456 10 0 BCAEMP CN(C)c1nc(NC[C@H]2C[C@@H]([NH3+])C2)cc[nH+]1 ZINC000715147057 712512553 /nfs/dbraw/zinc/51/25/53/712512553.db2.gz SRLITYJFAVWUML-DTORHVGOSA-N 2 1 221.308 0.692 10 0 BCAEMP NC(=O)C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000716682724 712569756 /nfs/dbraw/zinc/56/97/56/712569756.db2.gz DRVICHOOIYLWGY-RSJDFQLWSA-N 2 1 237.347 0.467 10 0 BCAEMP NC(=O)C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000716682726 712570103 /nfs/dbraw/zinc/57/01/03/712570103.db2.gz DRVICHOOIYLWGY-RUJICJSRSA-N 2 1 237.347 0.467 10 0 BCAEMP NC(=O)C1CC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000716721220 712570753 /nfs/dbraw/zinc/57/07/53/712570753.db2.gz AIYVHAQDHMZJAR-KGXPXNLBSA-N 2 1 245.326 0.985 10 0 BCAEMP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955212 538900494 /nfs/dbraw/zinc/90/04/94/538900494.db2.gz WITDNCHBQACLQS-CHWSQXEVSA-N 2 1 223.364 0.892 10 0 BCAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685955212 538900496 /nfs/dbraw/zinc/90/04/96/538900496.db2.gz WITDNCHBQACLQS-CHWSQXEVSA-N 2 1 223.364 0.892 10 0 BCAEMP C[N@@H+](CCOCC(F)(F)C[NH3+])C1CC1 ZINC000685956254 538902294 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OC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378766889 538974149 /nfs/dbraw/zinc/97/41/49/538974149.db2.gz DAPBATXQMDIYCL-WHOHXGKFSA-N 2 1 210.321 0.584 10 0 BCAEMP OC[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378766885 538974225 /nfs/dbraw/zinc/97/42/25/538974225.db2.gz DAPBATXQMDIYCL-FIQHERPVSA-N 2 1 210.321 0.584 10 0 BCAEMP Nc1cc[nH+]cc1C(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000226561042 342829153 /nfs/dbraw/zinc/82/91/53/342829153.db2.gz KFZXFKJXJQWVMM-YUMQZZPRSA-N 2 1 203.245 0.750 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233496898 342905743 /nfs/dbraw/zinc/90/57/43/342905743.db2.gz VFBGFOKTEHXGNX-GRYCIOLGSA-N 2 1 239.363 0.300 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094447105 343156115 /nfs/dbraw/zinc/15/61/15/343156115.db2.gz MYKPOFHKNQWAPD-QJPTWQEYSA-N 2 1 239.363 0.809 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH3+] ZINC000094460106 343156200 /nfs/dbraw/zinc/15/62/00/343156200.db2.gz 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1 213.325 0.149 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000250386545 363278958 /nfs/dbraw/zinc/27/89/58/363278958.db2.gz XQSFFKOTJFIFNF-ZJUUUORDSA-N 2 1 213.325 0.182 10 0 BCAEMP CCOC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C(C)C ZINC000233756504 363407431 /nfs/dbraw/zinc/40/74/31/363407431.db2.gz NRDXDGWEGLPNNV-WDEREUQCSA-N 2 1 200.326 0.999 10 0 BCAEMP CCOC[C@H]([NH2+][C@@H]1CC[NH2+]C1)C(C)C ZINC000233788539 363408301 /nfs/dbraw/zinc/40/83/01/363408301.db2.gz NRDXDGWEGLPNNV-MNOVXSKESA-N 2 1 200.326 0.999 10 0 BCAEMP C[C@H](C[NH+](C)C)OC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000584658878 491070656 /nfs/dbraw/zinc/07/06/56/491070656.db2.gz NHMTZOYNATXMIC-MNOVXSKESA-N 2 1 228.336 0.822 10 0 BCAEMP CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515414 355252272 /nfs/dbraw/zinc/25/22/72/355252272.db2.gz DNWCTQPCQOOXCP-LLVKDONJSA-N 2 1 227.352 0.396 10 0 BCAEMP NC(=O)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000043326957 181216925 /nfs/dbraw/zinc/21/69/25/181216925.db2.gz 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/nfs/dbraw/zinc/55/74/95/538557495.db2.gz XFZMBVXMNHXSET-WPRPVWTQSA-N 2 1 208.265 0.099 10 0 BCAEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000120808951 357065777 /nfs/dbraw/zinc/06/57/77/357065777.db2.gz MWKHFRRDDVEVKP-GFCCVEGCSA-N 2 1 241.379 0.785 10 0 BCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000120808951 357065779 /nfs/dbraw/zinc/06/57/79/357065779.db2.gz MWKHFRRDDVEVKP-GFCCVEGCSA-N 2 1 241.379 0.785 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392962308 357266208 /nfs/dbraw/zinc/26/62/08/357266208.db2.gz POQQDXXWVRNVNV-LLVKDONJSA-N 2 1 225.336 0.492 10 0 BCAEMP N[C@@H]1C[NH2+]CC[C@@H]1C1CCC2(C[C@H]2[NH3+])CC1 ZINC000685950543 538894092 /nfs/dbraw/zinc/89/40/92/538894092.db2.gz SSHFMEIJUCKSBW-UVXZLIQYSA-N 2 1 223.364 0.831 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975916 358001239 /nfs/dbraw/zinc/00/12/39/358001239.db2.gz UFVGVLUDSAAQAS-MXWKQRLJSA-N 2 1 225.336 0.289 10 0 BCAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(C)(C)O ZINC000168967044 358001731 /nfs/dbraw/zinc/00/17/31/358001731.db2.gz NJHNTAXHQHQNKX-VHSXEESVSA-N 2 1 200.326 0.959 10 0 BCAEMP C[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCCC1)OCCO2 ZINC000039384619 358225859 /nfs/dbraw/zinc/22/58/59/358225859.db2.gz CERNGLBORHTCEL-RYUDHWBXSA-N 2 1 240.347 0.966 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070100279 359041315 /nfs/dbraw/zinc/04/13/15/359041315.db2.gz QJEKGRNXYZKLGN-CHWSQXEVSA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000070100279 359041317 /nfs/dbraw/zinc/04/13/17/359041317.db2.gz QJEKGRNXYZKLGN-CHWSQXEVSA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070100279 359041321 /nfs/dbraw/zinc/04/13/21/359041321.db2.gz QJEKGRNXYZKLGN-CHWSQXEVSA-N 2 1 244.379 0.656 10 0 BCAEMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000246836797 359169317 /nfs/dbraw/zinc/16/93/17/359169317.db2.gz BKQVJSOLMVUUIQ-RYUDHWBXSA-N 2 1 239.363 0.633 10 0 BCAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000246836797 359169321 /nfs/dbraw/zinc/16/93/21/359169321.db2.gz BKQVJSOLMVUUIQ-RYUDHWBXSA-N 2 1 239.363 0.633 10 0 BCAEMP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000247111971 359214602 /nfs/dbraw/zinc/21/46/02/359214602.db2.gz ISUMYGRNWRFHAU-QWRGUYRKSA-N 2 1 225.336 0.243 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000247111971 359214607 /nfs/dbraw/zinc/21/46/07/359214607.db2.gz ISUMYGRNWRFHAU-QWRGUYRKSA-N 2 1 225.336 0.243 10 0 BCAEMP C[C@H]1C[C@](N)(C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000306304605 359583880 /nfs/dbraw/zinc/58/38/80/359583880.db2.gz BSHAGUJEZDPTKC-AAEUAGOBSA-N 2 1 219.332 0.937 10 0 BCAEMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000026897265 359591678 /nfs/dbraw/zinc/59/16/78/359591678.db2.gz FSWGELBQIPNBFM-NEPJUHHUSA-N 2 1 206.289 0.581 10 0 BCAEMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000026897265 359591680 /nfs/dbraw/zinc/59/16/80/359591680.db2.gz FSWGELBQIPNBFM-NEPJUHHUSA-N 2 1 206.289 0.581 10 0 BCAEMP C[N@@H+](CC[C@](C)(N)C(N)=O)Cc1ccccc1 ZINC000306523759 360360194 /nfs/dbraw/zinc/36/01/94/360360194.db2.gz UXQDETIODPNHKD-ZDUSSCGKSA-N 2 1 235.331 0.711 10 0 BCAEMP COC(=O)CCCC[N@@H+]1CCC[C@H]1CN ZINC000238327031 360875875 /nfs/dbraw/zinc/87/58/75/360875875.db2.gz GGGKJTVCXJECKV-JTQLQIEISA-N 2 1 214.309 0.753 10 0 BCAEMP COC(=O)CCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000238327031 360875884 /nfs/dbraw/zinc/87/58/84/360875884.db2.gz GGGKJTVCXJECKV-JTQLQIEISA-N 2 1 214.309 0.753 10 0 BCAEMP COC(=O)CCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000238327031 360875888 /nfs/dbraw/zinc/87/58/88/360875888.db2.gz GGGKJTVCXJECKV-JTQLQIEISA-N 2 1 214.309 0.753 10 0 BCAEMP COCC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309612138 491152495 /nfs/dbraw/zinc/15/24/95/491152495.db2.gz BRHLQRMZAMFPQO-LLVKDONJSA-N 2 1 230.352 0.458 10 0 BCAEMP CCOCCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630361270 364081118 /nfs/dbraw/zinc/08/11/18/364081118.db2.gz IMASVPYNUWXRAV-VXGBXAGGSA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630361270 364081122 /nfs/dbraw/zinc/08/11/22/364081122.db2.gz IMASVPYNUWXRAV-VXGBXAGGSA-N 2 1 230.352 0.851 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711830 181358521 /nfs/dbraw/zinc/35/85/21/181358521.db2.gz YFDQFUUKZJFNLW-LLVKDONJSA-N 2 1 212.337 0.962 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@H]2CO)CCOCC1 ZINC000052183341 181358563 /nfs/dbraw/zinc/35/85/63/181358563.db2.gz BTLMRVVSIRKHOV-NSHDSACASA-N 2 1 228.336 0.199 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C[NH3+] ZINC000630552193 364246622 /nfs/dbraw/zinc/24/66/22/364246622.db2.gz CEVBLTMRPKZWBN-NXEZZACHSA-N 2 1 235.335 0.574 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@H](O)C2)CCOCC1 ZINC000052197507 181359511 /nfs/dbraw/zinc/35/95/11/181359511.db2.gz FBZYKTNEMJSOET-NSHDSACASA-N 2 1 228.336 0.199 10 0 BCAEMP C[C@H](CC[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000134273903 364396715 /nfs/dbraw/zinc/39/67/15/364396715.db2.gz ZYZPLLKLXSLHIL-MRVPVSSYSA-N 2 1 209.297 0.692 10 0 BCAEMP [NH3+]CCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000037038097 181380938 /nfs/dbraw/zinc/38/09/38/181380938.db2.gz GZICKUSPRMZDTE-ZDUSSCGKSA-N 2 1 241.379 0.522 10 0 BCAEMP [NH3+]CCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC000037038065 181381331 /nfs/dbraw/zinc/38/13/31/181381331.db2.gz ATLXRDGYSKNBTC-UHFFFAOYSA-N 2 1 235.335 0.338 10 0 BCAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCN1CCOCC1 ZINC000104320900 181385832 /nfs/dbraw/zinc/38/58/32/181385832.db2.gz SSWQRIYSUXBOAT-CYBMUJFWSA-N 2 1 241.379 0.522 10 0 BCAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCN1CCOCC1 ZINC000104320896 181385960 /nfs/dbraw/zinc/38/59/60/181385960.db2.gz SSWQRIYSUXBOAT-ZDUSSCGKSA-N 2 1 241.379 0.522 10 0 BCAEMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000574758973 365136258 /nfs/dbraw/zinc/13/62/58/365136258.db2.gz FTWOWQKZICZVIG-OUAUKWLOSA-N 2 1 223.320 0.030 10 0 BCAEMP NC(=O)c1c[nH+]c2ccccc2c1NCC[NH3+] ZINC000037902528 181397273 /nfs/dbraw/zinc/39/72/73/181397273.db2.gz MWQQUWPOMWXAAA-UHFFFAOYSA-N 2 1 230.271 0.704 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000383569385 367641081 /nfs/dbraw/zinc/64/10/81/367641081.db2.gz JTPVAIXGQUAZNP-CHWSQXEVSA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000383569385 367641085 /nfs/dbraw/zinc/64/10/85/367641085.db2.gz JTPVAIXGQUAZNP-CHWSQXEVSA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCO ZINC000383569385 367641088 /nfs/dbraw/zinc/64/10/88/367641088.db2.gz JTPVAIXGQUAZNP-CHWSQXEVSA-N 2 1 244.379 0.536 10 0 BCAEMP OC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280562 367945140 /nfs/dbraw/zinc/94/51/40/367945140.db2.gz QWAHYABEWRMALP-VXGBXAGGSA-N 2 1 212.337 0.879 10 0 BCAEMP Cn1nccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000087647201 367948032 /nfs/dbraw/zinc/94/80/32/367948032.db2.gz GROZYHISTFZKMJ-SNVBAGLBSA-N 2 1 208.309 0.509 10 0 BCAEMP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000083887485 368834573 /nfs/dbraw/zinc/83/45/73/368834573.db2.gz ZJAQZJOHFWHBIZ-LLVKDONJSA-N 2 1 223.320 0.117 10 0 BCAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CCC[NH2+]1 ZINC000083887485 368834576 /nfs/dbraw/zinc/83/45/76/368834576.db2.gz ZJAQZJOHFWHBIZ-LLVKDONJSA-N 2 1 223.320 0.117 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000111272059 368853781 /nfs/dbraw/zinc/85/37/81/368853781.db2.gz IIOFOQJYNZOMLM-GRYCIOLGSA-N 2 1 239.363 0.300 10 0 BCAEMP C[C@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1C[NH3+] ZINC000631836997 369091544 /nfs/dbraw/zinc/09/15/44/369091544.db2.gz LINQNLLGQDHIJF-NWDGAFQWSA-N 2 1 236.363 0.879 10 0 BCAEMP COCCOCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838747 369121903 /nfs/dbraw/zinc/12/19/03/369121903.db2.gz UNSOWAVXWYRZMZ-WDEREUQCSA-N 2 1 216.325 0.176 10 0 BCAEMP COCCOCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838746 369122759 /nfs/dbraw/zinc/12/27/59/369122759.db2.gz UNSOWAVXWYRZMZ-QWRGUYRKSA-N 2 1 216.325 0.176 10 0 BCAEMP CC(C)[N@@H+](C)[C@@H]1CCC[C@@](N)(C(N)=O)C1 ZINC000225505579 370957847 /nfs/dbraw/zinc/95/78/47/370957847.db2.gz LXFHXDAPJNBMGD-KOLCDFICSA-N 2 1 213.325 0.452 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889810 326277073 /nfs/dbraw/zinc/27/70/73/326277073.db2.gz WRDILNMWUWHFPC-LBPRGKRZSA-N 2 1 226.320 0.625 10 0 BCAEMP C[C@H](C[NH3+])[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585121 371899994 /nfs/dbraw/zinc/89/99/94/371899994.db2.gz RYKBUFAFXWVOBT-ZJUUUORDSA-N 2 1 243.351 0.933 10 0 BCAEMP CN[C@]1(CC(N)=O)CC[N@H+]2CCCC[C@H]21 ZINC000228275230 372010526 /nfs/dbraw/zinc/01/05/26/372010526.db2.gz YLXQMVJYASFSSG-ONGXEEELSA-N 2 1 211.309 0.078 10 0 BCAEMP C[NH2+][C@]1(CC(N)=O)CC[N@@H+]2CCCC[C@H]21 ZINC000228275230 372010531 /nfs/dbraw/zinc/01/05/31/372010531.db2.gz YLXQMVJYASFSSG-ONGXEEELSA-N 2 1 211.309 0.078 10 0 BCAEMP C[N@H+]1CCCN(CC(F)(F)CN)CC1 ZINC000307364189 372113765 /nfs/dbraw/zinc/11/37/65/372113765.db2.gz KOQAJPUDQBFSAN-UHFFFAOYSA-N 2 1 207.268 0.218 10 0 BCAEMP C[N@H+]1CCCN(CC(F)(F)C[NH3+])CC1 ZINC000307364189 372113772 /nfs/dbraw/zinc/11/37/72/372113772.db2.gz KOQAJPUDQBFSAN-UHFFFAOYSA-N 2 1 207.268 0.218 10 0 BCAEMP Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000631823727 372601738 /nfs/dbraw/zinc/60/17/38/372601738.db2.gz MNBIRPMPMLKKFQ-SDDRHHMPSA-N 2 1 232.331 0.954 10 0 BCAEMP Cc1nccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000631823727 372601744 /nfs/dbraw/zinc/60/17/44/372601744.db2.gz MNBIRPMPMLKKFQ-SDDRHHMPSA-N 2 1 232.331 0.954 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000631836776 372625861 /nfs/dbraw/zinc/62/58/61/372625861.db2.gz GQABFKPXGLKIEZ-DCAQKATOSA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000631837595 372629632 /nfs/dbraw/zinc/62/96/32/372629632.db2.gz DBNJILZRRVXBDG-KOLCDFICSA-N 2 1 225.336 0.039 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@@H]1C[NH3+] ZINC000631837595 372629638 /nfs/dbraw/zinc/62/96/38/372629638.db2.gz DBNJILZRRVXBDG-KOLCDFICSA-N 2 1 225.336 0.039 10 0 BCAEMP Cc1nnsc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837549 372630339 /nfs/dbraw/zinc/63/03/39/372630339.db2.gz TWYJVNHXEAALCW-CBAPKCEASA-N 2 1 226.349 0.873 10 0 BCAEMP Cc1nnsc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837549 372630342 /nfs/dbraw/zinc/63/03/42/372630342.db2.gz TWYJVNHXEAALCW-CBAPKCEASA-N 2 1 226.349 0.873 10 0 BCAEMP COCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839222 372633381 /nfs/dbraw/zinc/63/33/81/372633381.db2.gz BZTCCDBVFMCMRV-VWYCJHECSA-N 2 1 200.326 0.938 10 0 BCAEMP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000631840841 372638262 /nfs/dbraw/zinc/63/82/62/372638262.db2.gz FYWZKVBBVHYNOX-MFKMUULPSA-N 2 1 247.342 0.812 10 0 BCAEMP C[C@H](C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840931 372638832 /nfs/dbraw/zinc/63/88/32/372638832.db2.gz WLJAPOPKXDLGOX-VWYCJHECSA-N 2 1 248.392 0.194 10 0 BCAEMP C[C@H](C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1)CS(C)(=O)=O ZINC000631840931 372638838 /nfs/dbraw/zinc/63/88/38/372638838.db2.gz WLJAPOPKXDLGOX-VWYCJHECSA-N 2 1 248.392 0.194 10 0 BCAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cn[nH]c1)C2 ZINC000381505543 374126483 /nfs/dbraw/zinc/12/64/83/374126483.db2.gz PWCWJFIAGFNTOC-JTQLQIEISA-N 2 1 217.276 0.711 10 0 BCAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000044726733 182302627 /nfs/dbraw/zinc/30/26/27/182302627.db2.gz LAFKLUBSYFAUAH-WDEREUQCSA-N 2 1 237.347 0.339 10 0 BCAEMP OCC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000162335282 183099381 /nfs/dbraw/zinc/09/93/81/183099381.db2.gz KNYRZUGNPOQOBZ-VXGBXAGGSA-N 2 1 212.337 0.690 10 0 BCAEMP CCC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037098437 169087119 /nfs/dbraw/zinc/08/71/19/169087119.db2.gz SFTAVIVJSAQSBF-JTQLQIEISA-N 2 1 213.325 0.149 10 0 BCAEMP CCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000037098438 169087357 /nfs/dbraw/zinc/08/73/57/169087357.db2.gz SFTAVIVJSAQSBF-SNVBAGLBSA-N 2 1 213.325 0.149 10 0 BCAEMP CCC[N@@H+](CC(=O)NC)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042404352 169096212 /nfs/dbraw/zinc/09/62/12/169096212.db2.gz INIFNQHIMMWGOJ-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP O[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000034122513 183245338 /nfs/dbraw/zinc/24/53/38/183245338.db2.gz AHEIGAOSXRVHSH-RYUDHWBXSA-N 2 1 206.289 0.499 10 0 BCAEMP CCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC000042220971 169189538 /nfs/dbraw/zinc/18/95/38/169189538.db2.gz LQJVYDFHWNPIEA-SNVBAGLBSA-N 2 1 227.352 0.585 10 0 BCAEMP CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2)C1 ZINC000073652251 169194500 /nfs/dbraw/zinc/19/45/00/169194500.db2.gz SSXGNJQAOHZKOG-GFCCVEGCSA-N 2 1 211.353 0.766 10 0 BCAEMP CCC[NH2+]C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000038062676 169256115 /nfs/dbraw/zinc/25/61/15/169256115.db2.gz IEAOLAWFGUSPTQ-ZDUSSCGKSA-N 2 1 242.363 0.866 10 0 BCAEMP CCC[NH2+]CCNCCC[NH+]1CCOCC1 ZINC000049474794 169259010 /nfs/dbraw/zinc/25/90/10/169259010.db2.gz APWNJSGFISVSDB-UHFFFAOYSA-N 2 1 229.368 0.298 10 0 BCAEMP CCC[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](C)C(N)=O ZINC000104427983 169264543 /nfs/dbraw/zinc/26/45/43/169264543.db2.gz AEHWSDPZYWATQY-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](C)C(N)=O ZINC000104427983 169264544 /nfs/dbraw/zinc/26/45/44/169264544.db2.gz AEHWSDPZYWATQY-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[C@@H](C)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354603 169364174 /nfs/dbraw/zinc/36/41/74/169364174.db2.gz DPPDFHWFYUMTOO-GFCCVEGCSA-N 2 1 241.379 0.929 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000036872931 169388904 /nfs/dbraw/zinc/38/89/04/169388904.db2.gz XNOLNNSSXDBVBD-GHMZBOCLSA-N 2 1 227.352 0.714 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484919 169390738 /nfs/dbraw/zinc/39/07/38/169390738.db2.gz HGNHTVFUUXBXAE-NXEZZACHSA-N 2 1 213.325 0.182 10 0 BCAEMP CCC[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062979701 169392959 /nfs/dbraw/zinc/39/29/59/169392959.db2.gz BTPUUUDYCOLRST-OLZOCXBDSA-N 2 1 241.379 0.520 10 0 BCAEMP Cc1cccc(N(C)CCOCC[NH3+])[nH+]1 ZINC000301053585 383879592 /nfs/dbraw/zinc/87/95/92/383879592.db2.gz YNOTYJFLCQIQQN-UHFFFAOYSA-N 2 1 209.293 0.802 10 0 BCAEMP CC(C)N1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1=O ZINC000569455978 384062282 /nfs/dbraw/zinc/06/22/82/384062282.db2.gz FRBCNMDBRJBVEB-VXGBXAGGSA-N 2 1 239.363 0.585 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812642 384535341 /nfs/dbraw/zinc/53/53/41/384535341.db2.gz CNKRAZMOGFPGIB-NXEZZACHSA-N 2 1 211.309 0.030 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CO1 ZINC000402200735 384570356 /nfs/dbraw/zinc/57/03/56/384570356.db2.gz GUUAFCFVKMXYLZ-JHJVBQTASA-N 2 1 242.363 0.600 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000236854785 384656371 /nfs/dbraw/zinc/65/63/71/384656371.db2.gz FVSVUTGGDDKPNI-NSHDSACASA-N 2 1 245.367 0.198 10 0 BCAEMP [NH3+][C@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335919105 384706624 /nfs/dbraw/zinc/70/66/24/384706624.db2.gz HJXJOSAXJQFDLF-DTWKUNHWSA-N 2 1 247.289 0.276 10 0 BCAEMP CC(C)([NH3+])CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000086930151 384720944 /nfs/dbraw/zinc/72/09/44/384720944.db2.gz QTCWJRPGTWDMHA-LLVKDONJSA-N 2 1 211.353 0.894 10 0 BCAEMP COC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375876892 384827089 /nfs/dbraw/zinc/82/70/89/384827089.db2.gz REMXPJPDNBSESZ-VHSXEESVSA-N 2 1 209.293 0.822 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000126917167 384827843 /nfs/dbraw/zinc/82/78/43/384827843.db2.gz MKLMWHYCKQSZJE-IUCAKERBSA-N 2 1 200.282 0.219 10 0 BCAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162119351 384798255 /nfs/dbraw/zinc/79/82/55/384798255.db2.gz UXEMOPCRHTUVJA-RYUDHWBXSA-N 2 1 239.363 0.444 10 0 BCAEMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000259336854 385283808 /nfs/dbraw/zinc/28/38/08/385283808.db2.gz XZKUOACKUOHNFE-MNOVXSKESA-N 2 1 225.336 0.054 10 0 BCAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@](C)(O)C[NH3+] ZINC000156700893 385465983 /nfs/dbraw/zinc/46/59/83/385465983.db2.gz QYDLJRKTNVIINB-AXFHLTTASA-N 2 1 200.326 0.959 10 0 BCAEMP COC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063196044 385611511 /nfs/dbraw/zinc/61/15/11/385611511.db2.gz KLCXGOYCBMFACY-VHSXEESVSA-N 2 1 214.309 0.751 10 0 BCAEMP COC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000063196044 385611515 /nfs/dbraw/zinc/61/15/15/385611515.db2.gz KLCXGOYCBMFACY-VHSXEESVSA-N 2 1 214.309 0.751 10 0 BCAEMP [NH3+][C@H]1CC[C@@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612431 385867718 /nfs/dbraw/zinc/86/77/18/385867718.db2.gz TZBZWWGOFGVDLA-AXFHLTTASA-N 2 1 223.320 0.173 10 0 BCAEMP [NH3+][C@H]1CC[C@@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612431 385867721 /nfs/dbraw/zinc/86/77/21/385867721.db2.gz TZBZWWGOFGVDLA-AXFHLTTASA-N 2 1 223.320 0.173 10 0 BCAEMP C[NH+](C)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310340092 386174861 /nfs/dbraw/zinc/17/48/61/386174861.db2.gz MKELPSQWCIVWNZ-STQMWFEESA-N 2 1 241.379 0.077 10 0 BCAEMP C[NH+](C)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000310339774 386175337 /nfs/dbraw/zinc/17/53/37/386175337.db2.gz MKELPSQWCIVWNZ-CHWSQXEVSA-N 2 1 241.379 0.077 10 0 BCAEMP Cn1nccc1CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310403585 386179065 /nfs/dbraw/zinc/17/90/65/386179065.db2.gz LELRWTNDILWMMS-UHTWSYAYSA-N 2 1 234.347 0.632 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000040503638 386211107 /nfs/dbraw/zinc/21/11/07/386211107.db2.gz JFXCAGRZGXVKIM-VHSXEESVSA-N 2 1 213.325 0.324 10 0 BCAEMP CC(C)[C@@](C)(CO)[N@H+]1CCC[NH2+]CC1 ZINC000052883989 386277622 /nfs/dbraw/zinc/27/76/22/386277622.db2.gz KNQUPTJIOIFCGI-LLVKDONJSA-N 2 1 200.326 0.689 10 0 BCAEMP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094459744 386454026 /nfs/dbraw/zinc/45/40/26/386454026.db2.gz BNWBCLOOZVWAIW-QJPTWQEYSA-N 2 1 239.363 0.665 10 0 BCAEMP C[C@@H]([NH3+])[C@@H]1CCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000127367347 387116870 /nfs/dbraw/zinc/11/68/70/387116870.db2.gz QHNDENSOYXTABU-NXEZZACHSA-N 2 1 235.335 0.716 10 0 BCAEMP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251558345 387203343 /nfs/dbraw/zinc/20/33/43/387203343.db2.gz BNWBCLOOZVWAIW-GRYCIOLGSA-N 2 1 239.363 0.665 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@@H+]1C ZINC000392942944 387303219 /nfs/dbraw/zinc/30/32/19/387303219.db2.gz QRBDWZXZFHWXFC-BJDJZHNGSA-N 2 1 239.363 0.726 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@H+]1C ZINC000392942944 387303225 /nfs/dbraw/zinc/30/32/25/387303225.db2.gz QRBDWZXZFHWXFC-BJDJZHNGSA-N 2 1 239.363 0.726 10 0 BCAEMP CN(C)c1nc(N2CC[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC000234273188 387307648 /nfs/dbraw/zinc/30/76/48/387307648.db2.gz XSZXVXKJZHCETD-GFCCVEGCSA-N 2 1 235.335 0.718 10 0 BCAEMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000643454663 387386036 /nfs/dbraw/zinc/38/60/36/387386036.db2.gz LRHUIKTZOINDRN-SDDRHHMPSA-N 2 1 213.369 0.914 10 0 BCAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000305776415 387649855 /nfs/dbraw/zinc/64/98/55/387649855.db2.gz KRCXUJGAFZSWEQ-WRWGMCAJSA-N 2 1 242.363 0.312 10 0 BCAEMP Cc1cccc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000169211679 387794194 /nfs/dbraw/zinc/79/41/94/387794194.db2.gz CUMQBWRNSZCMMZ-GHMZBOCLSA-N 2 1 221.304 0.942 10 0 BCAEMP Cc1cc[nH+]c(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000169207754 387794636 /nfs/dbraw/zinc/79/46/36/387794636.db2.gz IGIOJCWEOUVRGP-GHMZBOCLSA-N 2 1 221.304 0.942 10 0 BCAEMP CC[C@@H](COC)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151335487 387822460 /nfs/dbraw/zinc/82/24/60/387822460.db2.gz ZMYHYVBNEGHQTD-QWHCGFSZSA-N 2 1 244.379 0.848 10 0 BCAEMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C12CCC2 ZINC000423167228 387952273 /nfs/dbraw/zinc/95/22/73/387952273.db2.gz DVQSIEIAWHLGKF-GARJFASQSA-N 2 1 210.321 0.896 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1c1cc[nH+]c(N(C)C)n1 ZINC000082924375 388043160 /nfs/dbraw/zinc/04/31/60/388043160.db2.gz KGGCKKQXBJSESC-SECBINFHSA-N 2 1 221.308 0.341 10 0 BCAEMP CN(C)c1nc(N2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000082924448 388043393 /nfs/dbraw/zinc/04/33/93/388043393.db2.gz VAXWTOYGBVBUEW-SECBINFHSA-N 2 1 221.308 0.470 10 0 BCAEMP c1cn2c(n1)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000084385808 388077762 /nfs/dbraw/zinc/07/77/62/388077762.db2.gz BTDDVUQREBLIFO-NSHDSACASA-N 2 1 220.320 0.698 10 0 BCAEMP C([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932565 388110824 /nfs/dbraw/zinc/11/08/24/388110824.db2.gz BFECNACKCOJEJT-CHWSQXEVSA-N 2 1 223.364 0.766 10 0 BCAEMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)[NH+](C)C ZINC000164061847 388373767 /nfs/dbraw/zinc/37/37/67/388373767.db2.gz AAYMFRQMVTVEJG-VXGBXAGGSA-N 2 1 241.379 0.927 10 0 BCAEMP C([NH2+]C[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000238023231 388400271 /nfs/dbraw/zinc/40/02/71/388400271.db2.gz BFHPUFIKTFQEIP-RYUDHWBXSA-N 3 1 211.353 0.575 10 0 BCAEMP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000334669909 388446537 /nfs/dbraw/zinc/44/65/37/388446537.db2.gz UMFPMCZFBAKEGD-JQWIXIFHSA-N 2 1 239.363 0.727 10 0 BCAEMP CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000393613237 388435028 /nfs/dbraw/zinc/43/50/28/388435028.db2.gz DELPRWNGIHOWHI-SECBINFHSA-N 2 1 200.326 0.735 10 0 BCAEMP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248392786 388677872 /nfs/dbraw/zinc/67/78/72/388677872.db2.gz FYIWXBHSBCTQCJ-JTQLQIEISA-N 2 1 246.314 0.465 10 0 BCAEMP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000248392786 388677875 /nfs/dbraw/zinc/67/78/75/388677875.db2.gz FYIWXBHSBCTQCJ-JTQLQIEISA-N 2 1 246.314 0.465 10 0 BCAEMP Cc1cc(N2CCN(CCC[NH3+])CC2)nc(C)[nH+]1 ZINC000037756772 132345424 /nfs/dbraw/zinc/34/54/24/132345424.db2.gz ZPQXYQNXMBRIML-UHFFFAOYSA-N 2 1 249.362 0.564 10 0 BCAEMP C[C@H](CC(N)=[NH2+])[NH+]1CCN(c2ccccn2)CC1 ZINC000048249784 132355367 /nfs/dbraw/zinc/35/53/67/132355367.db2.gz ZXZNODPWWKFYCC-LLVKDONJSA-N 2 1 247.346 0.918 10 0 BCAEMP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH]cn2)C[C@@H]1C ZINC000179506339 134321158 /nfs/dbraw/zinc/32/11/58/134321158.db2.gz IUORZBYFERPDJU-WDEREUQCSA-N 2 1 238.335 0.297 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000249840813 135046611 /nfs/dbraw/zinc/04/66/11/135046611.db2.gz WPYSQOWCMUCNQT-LBPRGKRZSA-N 2 1 239.363 0.633 10 0 BCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249840813 135046613 /nfs/dbraw/zinc/04/66/13/135046613.db2.gz WPYSQOWCMUCNQT-LBPRGKRZSA-N 2 1 239.363 0.633 10 0 BCAEMP CC(C)[NH+](C)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249840813 135046615 /nfs/dbraw/zinc/04/66/15/135046615.db2.gz WPYSQOWCMUCNQT-LBPRGKRZSA-N 2 1 239.363 0.633 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000250589496 135055655 /nfs/dbraw/zinc/05/56/55/135055655.db2.gz QJEKGRNXYZKLGN-QWHCGFSZSA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000250589496 135055657 /nfs/dbraw/zinc/05/56/57/135055657.db2.gz QJEKGRNXYZKLGN-QWHCGFSZSA-N 2 1 244.379 0.656 10 0 BCAEMP CC(C)OC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000250589496 135055659 /nfs/dbraw/zinc/05/56/59/135055659.db2.gz QJEKGRNXYZKLGN-QWHCGFSZSA-N 2 1 244.379 0.656 10 0 BCAEMP C[C@@]1(CN2CC[N@H+]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000086933100 135102739 /nfs/dbraw/zinc/10/27/39/135102739.db2.gz GAVXKCVPVXOCGS-CHWSQXEVSA-N 2 1 223.364 0.766 10 0 BCAEMP CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000087122840 135106877 /nfs/dbraw/zinc/10/68/77/135106877.db2.gz OKPHKCMGMURQFE-MNOVXSKESA-N 2 1 227.352 0.442 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253183478 135122832 /nfs/dbraw/zinc/12/28/32/135122832.db2.gz GNXUJJRGRMOLOV-VHSXEESVSA-N 2 1 214.309 0.466 10 0 BCAEMP C[C@H]1C[N@@H+](CCC[NH+](C)C)CC[C@H]1O ZINC000253312972 135126295 /nfs/dbraw/zinc/12/62/95/135126295.db2.gz WLPCMIFRGRMPBS-WDEREUQCSA-N 2 1 200.326 0.641 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[NH3+] ZINC000261534046 135165461 /nfs/dbraw/zinc/16/54/61/135165461.db2.gz LPVBIQNMUXZGCC-NSHDSACASA-N 2 1 208.309 0.615 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261537993 135175523 /nfs/dbraw/zinc/17/55/23/135175523.db2.gz WZWMVDJHMPTEFK-LPEHRKFASA-N 2 1 212.293 0.219 10 0 BCAEMP OC[C@H]1C[C@@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261542061 135182586 /nfs/dbraw/zinc/18/25/86/135182586.db2.gz GLUUTHWRLKSJGJ-GHMZBOCLSA-N 2 1 216.300 0.391 10 0 BCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[NH3+] ZINC000261548385 135186513 /nfs/dbraw/zinc/18/65/13/135186513.db2.gz NQNJDSUMBBERQI-NSHDSACASA-N 2 1 235.331 0.582 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261551225 135190094 /nfs/dbraw/zinc/19/00/94/135190094.db2.gz LUEPWKHTMQUCPR-YFKTTZPYSA-N 2 1 239.363 0.570 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261551225 135190095 /nfs/dbraw/zinc/19/00/95/135190095.db2.gz LUEPWKHTMQUCPR-YFKTTZPYSA-N 2 1 239.363 0.570 10 0 BCAEMP C1CC1[NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261556529 135196748 /nfs/dbraw/zinc/19/67/48/135196748.db2.gz WADYHBJIOSGKEJ-WOPDTQHZSA-N 2 1 210.321 0.896 10 0 BCAEMP C[C@@H]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000163965555 135209593 /nfs/dbraw/zinc/20/95/93/135209593.db2.gz WWGWXLUIJMERQE-MNOVXSKESA-N 2 1 249.362 0.964 10 0 BCAEMP CN(C)c1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc[nH+]1 ZINC000261569830 135212678 /nfs/dbraw/zinc/21/26/78/135212678.db2.gz KBKISVLNFSBBET-QWRGUYRKSA-N 2 1 247.346 0.731 10 0 BCAEMP CC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261576347 135217282 /nfs/dbraw/zinc/21/72/82/135217282.db2.gz KHMNXCFMBXGGMZ-NSHDSACASA-N 2 1 227.352 0.587 10 0 BCAEMP Cn1cncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261585181 135226038 /nfs/dbraw/zinc/22/60/38/135226038.db2.gz QHWOPCPFAKIOGV-MVWJERBFSA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261596399 135236180 /nfs/dbraw/zinc/23/61/80/135236180.db2.gz YVCXSOIFGINFPE-SRVKXCTJSA-N 2 1 220.320 0.589 10 0 BCAEMP O=C1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758798 135250523 /nfs/dbraw/zinc/25/05/23/135250523.db2.gz CSQPXQXQOZWOPW-DGCLKSJQSA-N 2 1 237.347 0.198 10 0 BCAEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000261766350 135251553 /nfs/dbraw/zinc/25/15/53/135251553.db2.gz OVMHZTOHPUXGLB-MNOVXSKESA-N 2 1 227.352 0.585 10 0 BCAEMP CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261871818 135259203 /nfs/dbraw/zinc/25/92/03/135259203.db2.gz DFRNYHFWLAYWSR-JHJVBQTASA-N 2 1 242.363 0.770 10 0 BCAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000261900144 135260759 /nfs/dbraw/zinc/26/07/59/135260759.db2.gz WEPIPHYOXGSBOX-HTQZYQBOSA-N 2 1 235.278 0.072 10 0 BCAEMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC[NH2+]C1 ZINC000261914102 135262695 /nfs/dbraw/zinc/26/26/95/135262695.db2.gz YXHIUOVTUPRXHI-DGCLKSJQSA-N 2 1 249.362 0.984 10 0 BCAEMP C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000261948629 135265459 /nfs/dbraw/zinc/26/54/59/135265459.db2.gz NPXQPWDPPJFLKZ-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](C(N)=O)C1 ZINC000261948629 135265461 /nfs/dbraw/zinc/26/54/61/135265461.db2.gz NPXQPWDPPJFLKZ-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP CCn1c(C)nnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000262002101 135271294 /nfs/dbraw/zinc/27/12/94/135271294.db2.gz QDZWCPFJNNSROQ-UHFFFAOYSA-N 2 1 237.351 0.777 10 0 BCAEMP CN(C)c1ccccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262113491 135279991 /nfs/dbraw/zinc/27/99/91/135279991.db2.gz KUOWPKMVNUYTBB-JSGCOSHPSA-N 2 1 249.358 0.423 10 0 BCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2C[NH2+]C2)[C@@H](C)C1 ZINC000262178757 135283770 /nfs/dbraw/zinc/28/37/70/135283770.db2.gz DIBFGQZIXWSSSF-CMPLNLGQSA-N 2 1 239.363 0.395 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263182084 135337869 /nfs/dbraw/zinc/33/78/69/135337869.db2.gz GWMKLNWEEYYIMI-RYUDHWBXSA-N 2 1 221.304 0.060 10 0 BCAEMP Cc1ccncc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263219348 135339959 /nfs/dbraw/zinc/33/99/59/135339959.db2.gz LNIVJASKCUHBEM-NWDGAFQWSA-N 2 1 221.304 0.060 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236823 135341937 /nfs/dbraw/zinc/34/19/37/135341937.db2.gz BSTOAUPPVGYIAG-KOLCDFICSA-N 2 1 225.336 0.004 10 0 BCAEMP Cc1[nH+]ccn1CCCCNC(=O)C1C[NH2+]C1 ZINC000263265353 135343382 /nfs/dbraw/zinc/34/33/82/135343382.db2.gz HEBIZYPNLHIHFV-UHFFFAOYSA-N 2 1 236.319 0.307 10 0 BCAEMP C[N@@H+](CCNC(=O)C1C[NH2+]C1)Cc1ccccc1 ZINC000263274134 135343387 /nfs/dbraw/zinc/34/33/87/135343387.db2.gz IPZYGDMBDKSMDI-UHFFFAOYSA-N 2 1 247.342 0.454 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000263270645 135343559 /nfs/dbraw/zinc/34/35/59/135343559.db2.gz SCNCVMOTAPMGJJ-YPMHNXCESA-N 2 1 246.314 0.233 10 0 BCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263264735 135343828 /nfs/dbraw/zinc/34/38/28/135343828.db2.gz RKVQCSWSRZWVLF-YPMHNXCESA-N 2 1 236.315 0.365 10 0 BCAEMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335388058 136089613 /nfs/dbraw/zinc/08/96/13/136089613.db2.gz BFHSYECAPLNCEQ-NEPJUHHUSA-N 2 1 239.363 0.809 10 0 BCAEMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000257729147 397828620 /nfs/dbraw/zinc/82/86/20/397828620.db2.gz UVOKNFSUSABJTK-MNOVXSKESA-N 2 1 225.336 0.278 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000036781498 167060343 /nfs/dbraw/zinc/06/03/43/167060343.db2.gz BJJFANGMLXAJSD-NEPJUHHUSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000036781498 167060344 /nfs/dbraw/zinc/06/03/44/167060344.db2.gz BJJFANGMLXAJSD-NEPJUHHUSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)[NH2+]C[C@@H](O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000104124442 167112069 /nfs/dbraw/zinc/11/20/69/167112069.db2.gz ODMHMZCLAFXMMI-GFCCVEGCSA-N 2 1 243.395 0.371 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000070192055 167258452 /nfs/dbraw/zinc/25/84/52/167258452.db2.gz KFWXNCUPHYMHPT-ZDUSSCGKSA-N 2 1 244.379 0.798 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000070192055 167258456 /nfs/dbraw/zinc/25/84/56/167258456.db2.gz KFWXNCUPHYMHPT-ZDUSSCGKSA-N 2 1 244.379 0.798 10 0 BCAEMP COC[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)OC ZINC000662267611 409568731 /nfs/dbraw/zinc/56/87/31/409568731.db2.gz WEPRMGCSBWYIHA-NWDGAFQWSA-N 2 1 230.352 0.722 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000040673729 410887078 /nfs/dbraw/zinc/88/70/78/410887078.db2.gz DJRVIXDTXWMLPN-UWVGGRQHSA-N 2 1 213.325 0.324 10 0 BCAEMP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](CCC(N)=O)C1 ZINC000070977049 167007134 /nfs/dbraw/zinc/00/71/34/167007134.db2.gz UTCXRCYEFPZFEN-LBPRGKRZSA-N 2 1 241.379 0.819 10 0 BCAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000245881196 167033532 /nfs/dbraw/zinc/03/35/32/167033532.db2.gz BEFMHXYZRJHHET-LPEHRKFASA-N 2 1 213.325 0.179 10 0 BCAEMP CC(C)NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602127 167048644 /nfs/dbraw/zinc/04/86/44/167048644.db2.gz RIHTWPFLYAAAIY-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000042602127 167048646 /nfs/dbraw/zinc/04/86/46/167048646.db2.gz RIHTWPFLYAAAIY-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042811 167084041 /nfs/dbraw/zinc/08/40/41/167084041.db2.gz ZWAGVMFOGMHUDF-GFCCVEGCSA-N 2 1 239.363 0.727 10 0 BCAEMP CC(C)NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042811 167084044 /nfs/dbraw/zinc/08/40/44/167084044.db2.gz ZWAGVMFOGMHUDF-GFCCVEGCSA-N 2 1 239.363 0.727 10 0 BCAEMP CC(C)[NH2+][C@H](CC[N@@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000062449493 167138609 /nfs/dbraw/zinc/13/86/09/167138609.db2.gz QYZTWMDOIIMSRT-CMPLNLGQSA-N 2 1 241.379 0.959 10 0 BCAEMP CC(C)[NH2+][C@H](CC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000062449493 167138607 /nfs/dbraw/zinc/13/86/07/167138607.db2.gz QYZTWMDOIIMSRT-CMPLNLGQSA-N 2 1 241.379 0.959 10 0 BCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538886 411137114 /nfs/dbraw/zinc/13/71/14/411137114.db2.gz OPSVMRKQUWZLCQ-SDDRHHMPSA-N 2 1 241.379 0.818 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538902 411137146 /nfs/dbraw/zinc/13/71/46/411137146.db2.gz RWYFXNVGNQFAJG-VXGBXAGGSA-N 2 1 241.379 0.818 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000128984911 411195374 /nfs/dbraw/zinc/19/53/74/411195374.db2.gz XOCJEJYRMVIMEB-GHMZBOCLSA-N 2 1 227.352 0.570 10 0 BCAEMP Cc1[nH+]ccn1CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000310398440 411234817 /nfs/dbraw/zinc/23/48/17/411234817.db2.gz IJOPZRFTWXFBDJ-NSHDSACASA-N 2 1 238.335 0.681 10 0 BCAEMP CC1CCC(CO)([NH2+]C[C@H](O)C[NH+](C)C)CC1 ZINC000053118275 168157243 /nfs/dbraw/zinc/15/72/43/168157243.db2.gz RIQRNTZJBDQJFL-CPCZMJQVSA-N 2 1 244.379 0.440 10 0 BCAEMP CC1CCN([C@]2(C[NH3+])CC[N@@H+](C)C2)CC1 ZINC000061989988 168187942 /nfs/dbraw/zinc/18/79/42/168187942.db2.gz LJWKIBQQCMUVMA-LBPRGKRZSA-N 2 1 211.353 0.751 10 0 BCAEMP CCC(=O)N1CCC[N@@H+](C[C@H](C)C[NH3+])CC1 ZINC000037038723 168216265 /nfs/dbraw/zinc/21/62/65/168216265.db2.gz RABIBZUTSLJDAO-LLVKDONJSA-N 2 1 227.352 0.526 10 0 BCAEMP Nc1cc([C@H]2COCCN(CC[NH3+])C2)cc[nH+]1 ZINC000616663663 411412816 /nfs/dbraw/zinc/41/28/16/411412816.db2.gz MQZKNJRGUNNSOM-LLVKDONJSA-N 2 1 236.319 0.038 10 0 BCAEMP CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750359 170061361 /nfs/dbraw/zinc/06/13/61/170061361.db2.gz KLVJBJOOPVPXFA-PBINXNQUSA-N 2 1 211.309 0.077 10 0 BCAEMP CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750359 170061364 /nfs/dbraw/zinc/06/13/64/170061364.db2.gz KLVJBJOOPVPXFA-PBINXNQUSA-N 2 1 211.309 0.077 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000061299514 170106171 /nfs/dbraw/zinc/10/61/71/170106171.db2.gz OPHAABSBCRDJNF-NSHDSACASA-N 2 1 241.379 0.927 10 0 BCAEMP CC[NH2+]CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000044650277 170109837 /nfs/dbraw/zinc/10/98/37/170109837.db2.gz NSVDKHZQGLOQOC-LLVKDONJSA-N 2 1 225.336 0.293 10 0 BCAEMP CC[NH2+]CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000044650277 170109838 /nfs/dbraw/zinc/10/98/38/170109838.db2.gz NSVDKHZQGLOQOC-LLVKDONJSA-N 2 1 225.336 0.293 10 0 BCAEMP CC[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000061266910 170119298 /nfs/dbraw/zinc/11/92/98/170119298.db2.gz ZYBCBYQHTLIKHG-VXGBXAGGSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C)CC2)O1 ZINC000052379520 170119954 /nfs/dbraw/zinc/11/99/54/170119954.db2.gz BIYXDDMXMANTNY-STQMWFEESA-N 2 1 241.379 0.391 10 0 BCAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)[C@@H](C)COC)CCOC1 ZINC000051251432 170121009 /nfs/dbraw/zinc/12/10/09/170121009.db2.gz DXNGPXIYTTWSDD-QWHCGFSZSA-N 2 1 244.379 0.969 10 0 BCAEMP CC[NH2+]C[C@]1(C[N@@H+](C)CCCOC)CCOC1 ZINC000062035329 170123461 /nfs/dbraw/zinc/12/34/61/170123461.db2.gz CSKTZKOOPYNBHJ-ZDUSSCGKSA-N 2 1 244.379 0.971 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000061269284 170138898 /nfs/dbraw/zinc/13/88/98/170138898.db2.gz LIXBBDODSRNJJX-NSHDSACASA-N 2 1 227.352 0.539 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000061274359 170139447 /nfs/dbraw/zinc/13/94/47/170139447.db2.gz APWXAVIZYXHQER-RYUDHWBXSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+][C@@H](CC[NH+]1CCCCC1)C(N)=O ZINC000062441883 170145652 /nfs/dbraw/zinc/14/56/52/170145652.db2.gz GJHZRBCKZCRQDR-JTQLQIEISA-N 2 1 213.325 0.326 10 0 BCAEMP CC[NH2+][C@@H]1CCOC[C@H]1N1CC[NH+](C)CC1 ZINC000043810898 170152810 /nfs/dbraw/zinc/15/28/10/170152810.db2.gz WXQRKOACXDAWHF-VXGBXAGGSA-N 2 1 227.352 0.001 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](CC)C2)C1=O ZINC000049649194 170153226 /nfs/dbraw/zinc/15/32/26/170153226.db2.gz JJPRQPAQEHAEGV-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000061269285 170156991 /nfs/dbraw/zinc/15/69/91/170156991.db2.gz LIXBBDODSRNJJX-LLVKDONJSA-N 2 1 227.352 0.539 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)N1CC[NH+](C)CC1 ZINC000061268696 170157106 /nfs/dbraw/zinc/15/71/06/170157106.db2.gz VKPSNGCSGSACTL-SNVBAGLBSA-N 2 1 213.325 0.149 10 0 BCAEMP CC[NH2+][C@H]1CCN([C@H]2CCC[N@@H+](CC)C2)C1=O ZINC000049649197 170167499 /nfs/dbraw/zinc/16/74/99/170167499.db2.gz JJPRQPAQEHAEGV-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248470 412046321 /nfs/dbraw/zinc/04/63/21/412046321.db2.gz CGQQAVDVMAKIRS-VXGBXAGGSA-N 2 1 240.347 0.618 10 0 BCAEMP CN(C)c1nc(N[C@H]2CC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000382408882 412200537 /nfs/dbraw/zinc/20/05/37/412200537.db2.gz CNSBVZUKQDLONI-ZJUUUORDSA-N 2 1 235.335 1.082 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000662418769 412160406 /nfs/dbraw/zinc/16/04/06/412160406.db2.gz TZHRZIBVHOHCBQ-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000662418769 412160411 /nfs/dbraw/zinc/16/04/11/412160411.db2.gz TZHRZIBVHOHCBQ-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662735704 412288919 /nfs/dbraw/zinc/28/89/19/412288919.db2.gz XBMRPGGGLNLYCI-BJDJZHNGSA-N 2 1 237.347 0.419 10 0 BCAEMP CN(C)C(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904466 172360553 /nfs/dbraw/zinc/36/05/53/172360553.db2.gz LJQJBFQYSDJLDG-NSHDSACASA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]([NH3+])C1 ZINC000050243706 173004721 /nfs/dbraw/zinc/00/47/21/173004721.db2.gz SFHWSJOVHRZKJV-NWDGAFQWSA-N 2 1 211.353 0.894 10 0 BCAEMP C[N@H+]1CCCN([C@@](C)(C[NH3+])C2CC2)CC1 ZINC000035659511 173017794 /nfs/dbraw/zinc/01/77/94/173017794.db2.gz WIGIRIZXHYBKMM-LBPRGKRZSA-N 2 1 211.353 0.751 10 0 BCAEMP C[N@H+]1CCCN(c2cccc(C[NH3+])n2)CC1 ZINC000051396521 173019779 /nfs/dbraw/zinc/01/97/79/173019779.db2.gz WIRURXRQXYUYKZ-UHFFFAOYSA-N 2 1 220.320 0.682 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432794 173030561 /nfs/dbraw/zinc/03/05/61/173030561.db2.gz XTIRGYJAMOJPTL-IJLUTSLNSA-N 2 1 239.363 0.572 10 0 BCAEMP Cn1nccc1[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C ZINC000164782785 173040737 /nfs/dbraw/zinc/04/07/37/173040737.db2.gz FLZFBJPUNPHGCU-KOLCDFICSA-N 2 1 208.309 0.762 10 0 BCAEMP Cn1nccc1[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C ZINC000164782785 173040741 /nfs/dbraw/zinc/04/07/41/173040741.db2.gz FLZFBJPUNPHGCU-KOLCDFICSA-N 2 1 208.309 0.762 10 0 BCAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2COCCO2)C1 ZINC000054243351 173042430 /nfs/dbraw/zinc/04/24/30/173042430.db2.gz VPOHGWAGYVBAPJ-VXGBXAGGSA-N 2 1 228.336 0.333 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116602 173042558 /nfs/dbraw/zinc/04/25/58/173042558.db2.gz KRVCTLAAKNPCHP-GHMZBOCLSA-N 2 1 225.336 0.054 10 0 BCAEMP CN([C@H]1CCC[N@@H+](C)C1)[C@]1(C[NH3+])CCSC1 ZINC000053244677 173044145 /nfs/dbraw/zinc/04/41/45/173044145.db2.gz UBOYGMNZKIHWLD-RYUDHWBXSA-N 2 1 243.420 0.847 10 0 BCAEMP CN(C1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245405 173044944 /nfs/dbraw/zinc/04/49/44/173044944.db2.gz KVQAEIXDYZAVEB-LBPRGKRZSA-N 2 1 211.353 0.764 10 0 BCAEMP CN(C(=O)CCC[NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000053245703 173045000 /nfs/dbraw/zinc/04/50/00/173045000.db2.gz QCSIQJXMMWLXNX-JTQLQIEISA-N 2 1 213.325 0.278 10 0 BCAEMP C[NH+]1CCN([C@H]2COc3ccccc3[C@H]2[NH3+])CC1 ZINC000019397307 173094484 /nfs/dbraw/zinc/09/44/84/173094484.db2.gz MOSFDOZXOZJNTA-GXTWGEPZSA-N 2 1 247.342 0.695 10 0 BCAEMP C[N@H+]1CC[C@@H](CN2CCC[NH2+]CCC2)C1 ZINC000049666503 173111270 /nfs/dbraw/zinc/11/12/70/173111270.db2.gz DUURGJUDJRKVRF-GFCCVEGCSA-N 2 1 211.353 0.624 10 0 BCAEMP CN1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304182 173118878 /nfs/dbraw/zinc/11/88/78/173118878.db2.gz PJNFZMYQYCLSHB-ZJUUUORDSA-N 2 1 225.336 0.276 10 0 BCAEMP CN1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000304304182 173118880 /nfs/dbraw/zinc/11/88/80/173118880.db2.gz PJNFZMYQYCLSHB-ZJUUUORDSA-N 2 1 225.336 0.276 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)c1nccnc1C[NH3+] ZINC000071187572 173142816 /nfs/dbraw/zinc/14/28/16/173142816.db2.gz BSOVBNHNUVVKJQ-JTQLQIEISA-N 2 1 235.335 0.323 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250617514 173145375 /nfs/dbraw/zinc/14/53/75/173145375.db2.gz OIVYPAYHUPETOO-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000037484873 173145416 /nfs/dbraw/zinc/14/54/16/173145416.db2.gz HLVMPVDXMPIUSP-SKDRFNHKSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@@H+]1CC[C@H](C[NH2+]CC(=O)N2CCCCC2)C1 ZINC000037647439 173146541 /nfs/dbraw/zinc/14/65/41/173146541.db2.gz NUCOUSAZVBSEHI-GFCCVEGCSA-N 2 1 239.363 0.540 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+]CC(=O)N2CCCCC2)C1 ZINC000037647439 173146543 /nfs/dbraw/zinc/14/65/43/173146543.db2.gz NUCOUSAZVBSEHI-GFCCVEGCSA-N 2 1 239.363 0.540 10 0 BCAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCOCC2(C)C)C1 ZINC000061990477 173162609 /nfs/dbraw/zinc/16/26/09/173162609.db2.gz JJVPONJPKZENIU-GFCCVEGCSA-N 2 1 227.352 0.130 10 0 BCAEMP CN(C[C@@H]1CCCO1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990485 173162772 /nfs/dbraw/zinc/16/27/72/173162772.db2.gz LZRGXBVCOFRPEB-NWDGAFQWSA-N 2 1 227.352 0.130 10 0 BCAEMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2C[NH2+]C2)C1 ZINC000336598809 173163222 /nfs/dbraw/zinc/16/32/22/173163222.db2.gz RKWWPAMTUAOZAP-JQWIXIFHSA-N 2 1 237.347 0.149 10 0 BCAEMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1CC1)(C(N)=O)C2 ZINC000038000863 173207623 /nfs/dbraw/zinc/20/76/23/173207623.db2.gz QKDTVSMFUVNLDM-QYJAPNMZSA-N 2 1 237.347 0.467 10 0 BCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC1CC1)(C(N)=O)C2 ZINC000038000863 173207625 /nfs/dbraw/zinc/20/76/25/173207625.db2.gz QKDTVSMFUVNLDM-QYJAPNMZSA-N 2 1 237.347 0.467 10 0 BCAEMP CNC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000051761625 173247881 /nfs/dbraw/zinc/24/78/81/173247881.db2.gz AMRBCZSEEWFJIC-ZACCUICWSA-N 2 1 225.336 0.337 10 0 BCAEMP CNC(=O)CC[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602557 173255991 /nfs/dbraw/zinc/25/59/91/173255991.db2.gz POLSIAAVDCXICI-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CNC(=O)CC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602557 173255992 /nfs/dbraw/zinc/25/59/92/173255992.db2.gz POLSIAAVDCXICI-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178297786 173273908 /nfs/dbraw/zinc/27/39/08/173273908.db2.gz FBUKQGNWZNTXKP-NSHDSACASA-N 2 1 236.319 0.402 10 0 BCAEMP CNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178297786 173273909 /nfs/dbraw/zinc/27/39/09/173273909.db2.gz FBUKQGNWZNTXKP-NSHDSACASA-N 2 1 236.319 0.402 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000061319012 173318721 /nfs/dbraw/zinc/31/87/21/173318721.db2.gz FCOQYANBAHVQEU-SNVBAGLBSA-N 2 1 227.352 0.585 10 0 BCAEMP C[NH2+]CC1CCN(c2[nH+]ccn2C)CC1 ZINC000053664137 173338689 /nfs/dbraw/zinc/33/86/89/173338689.db2.gz FVBILGBWYNLECQ-UHFFFAOYSA-N 2 1 208.309 0.856 10 0 BCAEMP C[NH2+]CCNc1c(C(N)=O)c[nH+]c2ccccc21 ZINC000054244871 173356860 /nfs/dbraw/zinc/35/68/60/173356860.db2.gz CVXAGSOZWHFXAK-UHFFFAOYSA-N 2 1 244.298 0.965 10 0 BCAEMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973843 173358141 /nfs/dbraw/zinc/35/81/41/173358141.db2.gz PCUUXDXRUKVGSR-STQMWFEESA-N 2 1 241.379 0.391 10 0 BCAEMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000040601246 173367739 /nfs/dbraw/zinc/36/77/39/173367739.db2.gz AAONJXIGJRXMGV-UWVGGRQHSA-N 2 1 227.308 0.026 10 0 BCAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000040601246 173367740 /nfs/dbraw/zinc/36/77/40/173367740.db2.gz AAONJXIGJRXMGV-UWVGGRQHSA-N 2 1 227.308 0.026 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000053031030 173369917 /nfs/dbraw/zinc/36/99/17/173369917.db2.gz BUSIORGFWUTGIP-NSHDSACASA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000053031030 173369918 /nfs/dbraw/zinc/36/99/18/173369918.db2.gz BUSIORGFWUTGIP-NSHDSACASA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2CCCOCC2)O1 ZINC000061935854 173371904 /nfs/dbraw/zinc/37/19/04/173371904.db2.gz BJTCLERBXIGFGL-RYUDHWBXSA-N 2 1 228.336 0.476 10 0 BCAEMP C[NH2+]C[C@H]1CCCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000061991737 173378826 /nfs/dbraw/zinc/37/88/26/173378826.db2.gz QLTNILSNEFBYIC-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@H](C[N@H+]2CCOC(C)(C)C2)O1 ZINC000052481881 173382536 /nfs/dbraw/zinc/38/25/36/173382536.db2.gz OIDVUDJFGWTPQV-VXGBXAGGSA-N 2 1 242.363 0.864 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C)CC2)O1 ZINC000052379514 173382602 /nfs/dbraw/zinc/38/26/02/173382602.db2.gz MCBKJUVMDVHBDI-NEPJUHHUSA-N 2 1 227.352 0.001 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCCO[C@@H](C)C2)O1 ZINC000061935504 173382635 /nfs/dbraw/zinc/38/26/35/173382635.db2.gz IGAWDEJAQASMGH-XQQFMLRXSA-N 2 1 242.363 0.864 10 0 BCAEMP COC1CCN([C@@]2(C[NH3+])CC[N@@H+](C)C2)CC1 ZINC000061990227 174030317 /nfs/dbraw/zinc/03/03/17/174030317.db2.gz UDCSTWALPYFXBA-GFCCVEGCSA-N 2 1 227.352 0.130 10 0 BCAEMP COCCC[NH2+]C[C@@H](C)N1CCC[N@@H+](C)CC1 ZINC000053487789 174247666 /nfs/dbraw/zinc/24/76/66/174247666.db2.gz IBMWOCOPNMAPER-CYBMUJFWSA-N 2 1 243.395 0.639 10 0 BCAEMP COCC[N@H+]([C@@H](C[NH3+])[C@@H]1CCCOC1)C1CC1 ZINC000104307310 174285071 /nfs/dbraw/zinc/28/50/71/174285071.db2.gz KAJRRALHAOCLOV-YPMHNXCESA-N 2 1 242.363 0.851 10 0 BCAEMP COCC[N@@H+]([C@@H](C[NH3+])[C@@H]1CCCOC1)C1CC1 ZINC000104307310 174285072 /nfs/dbraw/zinc/28/50/72/174285072.db2.gz KAJRRALHAOCLOV-YPMHNXCESA-N 2 1 242.363 0.851 10 0 BCAEMP COCC[N@@H+](CC(C)C)C[C@@H](O)C[NH2+]C1CC1 ZINC000042368668 174287227 /nfs/dbraw/zinc/28/72/27/174287227.db2.gz YLUQHPISPUWUEK-ZDUSSCGKSA-N 2 1 244.379 0.704 10 0 BCAEMP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042368157 174287430 /nfs/dbraw/zinc/28/74/30/174287430.db2.gz YEQDJGNIGWYRSJ-OLZOCXBDSA-N 2 1 244.379 0.955 10 0 BCAEMP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])[C@@H]1CCOC1 ZINC000042368157 174287432 /nfs/dbraw/zinc/28/74/32/174287432.db2.gz YEQDJGNIGWYRSJ-OLZOCXBDSA-N 2 1 244.379 0.955 10 0 BCAEMP COCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)COC ZINC000042610847 174289468 /nfs/dbraw/zinc/28/94/68/174289468.db2.gz NZDCERUKSZUUFH-LBPRGKRZSA-N 2 1 244.379 0.969 10 0 BCAEMP COCCOCC[N@@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053033894 174354652 /nfs/dbraw/zinc/35/46/52/174354652.db2.gz GUYGMAADTZPKRA-CYBMUJFWSA-N 2 1 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UESQRIXKSNNLMX-SNVBAGLBSA-N 2 1 213.325 0.326 10 0 BCAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC(N)=O ZINC000020047803 176070660 /nfs/dbraw/zinc/07/06/60/176070660.db2.gz UESQRIXKSNNLMX-SNVBAGLBSA-N 2 1 213.325 0.326 10 0 BCAEMP C[C@@H]1CCC[NH2+][C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000051793081 176112389 /nfs/dbraw/zinc/11/23/89/176112389.db2.gz XSIMOEJDTCJRQF-GRYCIOLGSA-N 2 1 239.363 0.442 10 0 BCAEMP C[C@@H]1CC[N@H+](CCC(=O)NC2CC2)[C@H](C[NH3+])C1 ZINC000104419632 176168536 /nfs/dbraw/zinc/16/85/36/176168536.db2.gz FKXKVLHNYQMDHP-PWSUYJOCSA-N 2 1 239.363 0.714 10 0 BCAEMP C[C@@H]1CC[N@@H+](CCC(=O)NC2CC2)[C@H](C[NH3+])C1 ZINC000104419632 176168538 /nfs/dbraw/zinc/16/85/38/176168538.db2.gz FKXKVLHNYQMDHP-PWSUYJOCSA-N 2 1 239.363 0.714 10 0 BCAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC000037270186 176202982 /nfs/dbraw/zinc/20/29/82/176202982.db2.gz FESGJKDAPOGDRC-GRYCIOLGSA-N 2 1 241.379 0.770 10 0 BCAEMP C[C@@H]1CC[C@H](C(=O)N2CC[NH+](C)CC2)C[C@@H]1[NH3+] 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C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCOCC[NH3+] ZINC000094440736 176323307 /nfs/dbraw/zinc/32/33/07/176323307.db2.gz ZZTBCNKLYUWYFJ-CHWSQXEVSA-N 2 1 241.379 0.520 10 0 BCAEMP C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOCC[NH3+] ZINC000094440736 176323308 /nfs/dbraw/zinc/32/33/08/176323308.db2.gz ZZTBCNKLYUWYFJ-CHWSQXEVSA-N 2 1 241.379 0.520 10 0 BCAEMP C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCOCC[NH3+] ZINC000094440736 176323309 /nfs/dbraw/zinc/32/33/09/176323309.db2.gz ZZTBCNKLYUWYFJ-CHWSQXEVSA-N 2 1 241.379 0.520 10 0 BCAEMP C[C@@H]1C[NH2+]CCN([C@@H]2CCC[N@@H+](C)C2)C1 ZINC000049662308 176325322 /nfs/dbraw/zinc/32/53/22/176325322.db2.gz LELDRSYUOBNAIU-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP C[C@@H]1CNCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526811 176326056 /nfs/dbraw/zinc/32/60/56/176326056.db2.gz DWFNXABMEVGRAE-GFCCVEGCSA-N 2 1 225.380 0.870 10 0 BCAEMP C[C@@H]1CNCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526811 176326057 /nfs/dbraw/zinc/32/60/57/176326057.db2.gz DWFNXABMEVGRAE-GFCCVEGCSA-N 2 1 225.380 0.870 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000235286521 176329790 /nfs/dbraw/zinc/32/97/90/176329790.db2.gz XNMSSLQOFDNCLW-GRYCIOLGSA-N 2 1 237.347 0.149 10 0 BCAEMP C[C@@H]1COCC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061275016 176335357 /nfs/dbraw/zinc/33/53/57/176335357.db2.gz ACPWVTKKDFUGJZ-GFCCVEGCSA-N 2 1 227.352 0.002 10 0 BCAEMP C[C@@H]1COCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275016 176335359 /nfs/dbraw/zinc/33/53/59/176335359.db2.gz ACPWVTKKDFUGJZ-GFCCVEGCSA-N 2 1 227.352 0.002 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)CO ZINC000037877391 177075599 /nfs/dbraw/zinc/07/55/99/177075599.db2.gz MSQHTBFTVDAFAW-RYUDHWBXSA-N 2 1 230.352 0.194 10 0 BCAEMP C[C@H]1CCCC[C@@]1(C(N)=O)[N@@H+]1CCCNCC1 ZINC000037943781 177084530 /nfs/dbraw/zinc/08/45/30/177084530.db2.gz BUCKMPOGYKADTN-WCQYABFASA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@H]1CCCC[C@@]1(C(N)=O)[N@H+]1CCCNCC1 ZINC000037943781 177084531 /nfs/dbraw/zinc/08/45/31/177084531.db2.gz BUCKMPOGYKADTN-WCQYABFASA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@H]1CCCC[C@@]1(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000037943781 177084533 /nfs/dbraw/zinc/08/45/33/177084533.db2.gz BUCKMPOGYKADTN-WCQYABFASA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@H]1CCCC[C@@]1(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000037943781 177084535 /nfs/dbraw/zinc/08/45/35/177084535.db2.gz BUCKMPOGYKADTN-WCQYABFASA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH2+]CC1 ZINC000042354663 177109357 /nfs/dbraw/zinc/10/93/57/177109357.db2.gz AZELXUIMBQHKLQ-NSHDSACASA-N 2 1 225.336 0.293 10 0 BCAEMP C[C@@H]1C[C@@H](C)CC[N@H+]1CCn1cc(C[NH3+])nn1 ZINC000052510122 177162284 /nfs/dbraw/zinc/16/22/84/177162284.db2.gz FULNTIVIGTUQJV-WDEREUQCSA-N 2 1 237.351 0.857 10 0 BCAEMP C[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH2+]CC1 ZINC000226401465 177232443 /nfs/dbraw/zinc/23/24/43/177232443.db2.gz HDHMGFPHNJFPNP-JTQLQIEISA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH2+]CC1 ZINC000226401465 177232444 /nfs/dbraw/zinc/23/24/44/177232444.db2.gz HDHMGFPHNJFPNP-JTQLQIEISA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@H]1C[N@@H+](C2(C[NH3+])CCOCC2)CCCO1 ZINC000061915190 177240522 /nfs/dbraw/zinc/24/05/22/177240522.db2.gz KLLCELZCVGCFDA-NSHDSACASA-N 2 1 228.336 0.605 10 0 BCAEMP C[C@H]1C[N@H+](C2(C[NH3+])CCOCC2)CCCO1 ZINC000061915190 177240523 /nfs/dbraw/zinc/24/05/23/177240523.db2.gz KLLCELZCVGCFDA-NSHDSACASA-N 2 1 228.336 0.605 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CC[N@H+]1C ZINC000336679055 177331619 /nfs/dbraw/zinc/33/16/19/177331619.db2.gz WZLKVXLPENRHHM-QWRGUYRKSA-N 2 1 223.324 0.350 10 0 BCAEMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000250589091 487735218 /nfs/dbraw/zinc/73/52/18/487735218.db2.gz HDZZZUXWNDFHAO-NWDGAFQWSA-N 2 1 239.363 0.526 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250630301 487736765 /nfs/dbraw/zinc/73/67/65/487736765.db2.gz QYNJQLWOEXWUDI-SDDRHHMPSA-N 2 1 239.363 0.572 10 0 BCAEMP C([C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251272014 487752078 /nfs/dbraw/zinc/75/20/78/487752078.db2.gz LZUOTGORXFQLBB-RYUDHWBXSA-N 2 1 209.337 0.376 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NCC(F)(F)C[NH3+] ZINC000309248020 487805759 /nfs/dbraw/zinc/80/57/59/487805759.db2.gz CZROCHUYDUCYKA-SSDOTTSWSA-N 2 1 223.267 0.070 10 0 BCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000251940628 487807200 /nfs/dbraw/zinc/80/72/00/487807200.db2.gz SLDDHWCVFFIMCI-GARJFASQSA-N 2 1 227.352 0.570 10 0 BCAEMP CC1(C)C[NH2+][C@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000645943529 487853987 /nfs/dbraw/zinc/85/39/87/487853987.db2.gz QWLSLNTVPAXGOE-MNOVXSKESA-N 2 1 237.347 0.291 10 0 BCAEMP Cc1cc(N)[nH+]cc1N1CCC[N@@H+](C)CC1 ZINC000584628905 487965687 /nfs/dbraw/zinc/96/56/87/487965687.db2.gz YUBCXMDEBRRQJR-UHFFFAOYSA-N 2 1 220.320 1.114 10 0 BCAEMP Cc1cc(N)[nH+]cc1N1CCC[N@H+](C)CC1 ZINC000584628905 487965689 /nfs/dbraw/zinc/96/56/89/487965689.db2.gz YUBCXMDEBRRQJR-UHFFFAOYSA-N 2 1 220.320 1.114 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889809 326276946 /nfs/dbraw/zinc/27/69/46/326276946.db2.gz WRDILNMWUWHFPC-GFCCVEGCSA-N 2 1 226.320 0.625 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000309482782 487973978 /nfs/dbraw/zinc/97/39/78/487973978.db2.gz ZZJUGIAPPRAIBZ-VWYCJHECSA-N 2 1 225.336 0.289 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000389248797 488084039 /nfs/dbraw/zinc/08/40/39/488084039.db2.gz BDBSZMXMHAQVMD-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000136392332 488101364 /nfs/dbraw/zinc/10/13/64/488101364.db2.gz BAYOOJPYOUYMFH-NEPJUHHUSA-N 2 1 239.363 0.666 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])[C@@H](C)CC)C1 ZINC000389568952 488102438 /nfs/dbraw/zinc/10/24/38/488102438.db2.gz AGSMDHWRIWUOCL-SDDRHHMPSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000389664980 488105685 /nfs/dbraw/zinc/10/56/85/488105685.db2.gz SVTUSMVGTSHXGT-NWDGAFQWSA-N 2 1 239.363 0.587 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227153329 487556028 /nfs/dbraw/zinc/55/60/28/487556028.db2.gz VTGTYPJGAXWSJR-VWYCJHECSA-N 2 1 225.336 0.337 10 0 BCAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC[C@H]1C ZINC000399504946 487488693 /nfs/dbraw/zinc/48/86/93/487488693.db2.gz XPVIIOLKMDIJPQ-UPJWGTAASA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC[C@H]1C ZINC000399504946 487488697 /nfs/dbraw/zinc/48/86/97/487488697.db2.gz XPVIIOLKMDIJPQ-UPJWGTAASA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399504946 487488702 /nfs/dbraw/zinc/48/87/02/487488702.db2.gz XPVIIOLKMDIJPQ-UPJWGTAASA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000399504946 487488707 /nfs/dbraw/zinc/48/87/07/487488707.db2.gz XPVIIOLKMDIJPQ-UPJWGTAASA-N 2 1 244.379 0.533 10 0 BCAEMP COC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000308791188 487494200 /nfs/dbraw/zinc/49/42/00/487494200.db2.gz BBRGUJAIRFWXAD-WDEREUQCSA-N 2 1 218.341 0.312 10 0 BCAEMP COC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308791188 487494201 /nfs/dbraw/zinc/49/42/01/487494201.db2.gz BBRGUJAIRFWXAD-WDEREUQCSA-N 2 1 218.341 0.312 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000250020232 487726659 /nfs/dbraw/zinc/72/66/59/487726659.db2.gz YBDKCFYANLFRPI-CMPLNLGQSA-N 2 1 239.363 0.572 10 0 BCAEMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000398955012 488173221 /nfs/dbraw/zinc/17/32/21/488173221.db2.gz HBGJDLCZVLYTMU-CHWSQXEVSA-N 2 1 242.363 0.336 10 0 BCAEMP C[C@H]([NH2+]CCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400345642 533856395 /nfs/dbraw/zinc/85/63/95/533856395.db2.gz ITKOMPIOWDFHQS-RYUDHWBXSA-N 2 1 211.353 0.670 10 0 BCAEMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400358964 533892239 /nfs/dbraw/zinc/89/22/39/533892239.db2.gz MZPOREVSJNYHBD-IJLUTSLNSA-N 3 1 213.369 0.914 10 0 BCAEMP Cc1[nH+]ccn1CCC[C@](C)([NH3+])C(N)=O ZINC000045432563 582879098 /nfs/dbraw/zinc/87/90/98/582879098.db2.gz DYXXDFVLHPUHJL-JTQLQIEISA-N 2 1 210.281 0.174 10 0 BCAEMP COC(=O)[C@@](C)([NH3+])CCn1cc[nH+]c1C ZINC000045433076 582879538 /nfs/dbraw/zinc/87/95/38/582879538.db2.gz QUOSTUWKOROTJB-JTQLQIEISA-N 2 1 211.265 0.472 10 0 BCAEMP CCOC(=O)C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000260392159 582880086 /nfs/dbraw/zinc/88/00/86/582880086.db2.gz KJIKZLHMGWPNNM-VHSXEESVSA-N 2 1 214.309 0.609 10 0 BCAEMP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000261541183 535992441 /nfs/dbraw/zinc/99/24/41/535992441.db2.gz AUHOWSLLWSDGIL-DLOVCJGASA-N 2 1 237.347 0.276 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000261533926 536374050 /nfs/dbraw/zinc/37/40/50/536374050.db2.gz LMXPUBXYQKQWEK-GARJFASQSA-N 2 1 225.336 0.324 10 0 BCAEMP COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263296017 537047629 /nfs/dbraw/zinc/04/76/29/537047629.db2.gz WHNVUMCTRCBAKV-VXGBXAGGSA-N 2 1 236.315 0.365 10 0 BCAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757147665 582531361 /nfs/dbraw/zinc/53/13/61/582531361.db2.gz SOFMPPFUVCEING-LBPRGKRZSA-N 2 1 226.320 0.435 10 0 BCAEMP [NH3+][C@@H]1C[NH2+]C[C@@H](c2cccc(C=O)c2)C1 ZINC000757217860 582562667 /nfs/dbraw/zinc/56/26/67/582562667.db2.gz SXRGNYSMKJACMN-RYUDHWBXSA-N 2 1 204.273 0.903 10 0 BCAEMP Nc1[nH+]ccn1CCC[NH+]1CCOCC1 ZINC000236347101 582653064 /nfs/dbraw/zinc/65/30/64/582653064.db2.gz IWYAQUOSRWOKRN-UHFFFAOYSA-N 2 1 210.281 0.188 10 0 BCAEMP CC(C)c1[nH+]ccn1C[C@](C)([NH3+])C(N)=O ZINC000045430522 582878328 /nfs/dbraw/zinc/87/83/28/582878328.db2.gz OVGMAAJHLYSFSV-JTQLQIEISA-N 2 1 210.281 0.209 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000393813071 583113344 /nfs/dbraw/zinc/11/33/44/583113344.db2.gz ZEBVEZDANGOFDA-CMPLNLGQSA-N 2 1 228.336 0.210 10 0 BCAEMP COC(=O)[C@@H]1C[NH2+]C[C@@]12CCC[N@@H+](C)CC2 ZINC000757183645 586434189 /nfs/dbraw/zinc/43/41/89/586434189.db2.gz DRFPKAXKGZEIFV-JQWIXIFHSA-N 2 1 226.320 0.481 10 0 BCAEMP CCOC(=O)[C@H]1C[NH2+]C[C@@]12CC[N@H+](C)C2 ZINC000757186062 586434685 /nfs/dbraw/zinc/43/46/85/586434685.db2.gz VMXWYPMGLCLVLY-MWLCHTKSSA-N 2 1 212.293 0.091 10 0 BCAEMP CCOC(=O)[C@H]1C[NH2+]C[C@@]12CC[N@@H+](C)C2 ZINC000757186062 586434686 /nfs/dbraw/zinc/43/46/86/586434686.db2.gz VMXWYPMGLCLVLY-MWLCHTKSSA-N 2 1 212.293 0.091 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757216499 586441152 /nfs/dbraw/zinc/44/11/52/586441152.db2.gz PVYMVGUWTKBBSH-KKOKHZNYSA-N 3 1 211.353 0.701 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757216500 586441212 /nfs/dbraw/zinc/44/12/12/586441212.db2.gz PVYMVGUWTKBBSH-WISYIIOYSA-N 3 1 211.353 0.701 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2C[C@H]([NH3+])CCN2)cc1 ZINC000757217051 586441292 /nfs/dbraw/zinc/44/12/92/586441292.db2.gz RFKHZKDTPNVOIN-NEPJUHHUSA-N 2 1 205.305 0.897 10 0 BCAEMP [NH3+]Cc1cccc([C@@H]2C[C@H]([NH3+])CCN2)c1 ZINC000757220786 586442381 /nfs/dbraw/zinc/44/23/81/586442381.db2.gz ZNMBEPAUNRTIPY-NEPJUHHUSA-N 2 1 205.305 0.897 10 0 BCAEMP [NH3+]Cc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH3+])c1 ZINC000757219282 586442456 /nfs/dbraw/zinc/44/24/56/586442456.db2.gz WKVSJAKWZBRIHR-RYUDHWBXSA-N 3 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1cccc([C@@H]2CCNC[C@@H]2[NH3+])c1 ZINC000757219282 586442457 /nfs/dbraw/zinc/44/24/57/586442457.db2.gz WKVSJAKWZBRIHR-RYUDHWBXSA-N 2 1 205.305 0.550 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[C@@H](N)[C@@H](C)[NH2+]2)CC[NH2+]1 ZINC000757237197 586443623 /nfs/dbraw/zinc/44/36/23/586443623.db2.gz POKTYQJFRBNMSO-OOCWMUITSA-N 2 1 211.353 0.842 10 0 BCAEMP Cc1ccc(N)cc1[C@H]1C[NH2+]C[C@@H]([NH3+])C1 ZINC000757237572 586443766 /nfs/dbraw/zinc/44/37/66/586443766.db2.gz QGEZXEFANQUHAQ-KOLCDFICSA-N 2 1 205.305 0.981 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[C@H](N)[C@H](C)[NH2+]2)CC[NH2+]1 ZINC000757237189 586443891 /nfs/dbraw/zinc/44/38/91/586443891.db2.gz POKTYQJFRBNMSO-LVEVGFFFSA-N 2 1 211.353 0.842 10 0 BCAEMP Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@H]([NH3+])C1 ZINC000757237570 586443902 /nfs/dbraw/zinc/44/39/02/586443902.db2.gz QGEZXEFANQUHAQ-GXSJLCMTSA-N 2 1 205.305 0.981 10 0 BCAEMP CCc1cc(NC[C@@H]2C[NH2+]CCO2)nc(C)[nH+]1 ZINC000134275135 591908695 /nfs/dbraw/zinc/90/86/95/591908695.db2.gz JSGSJQMOTZRKMP-NSHDSACASA-N 2 1 236.319 0.748 10 0 BCAEMP C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[N@@H+](C)C1CC1 ZINC000227433026 634542795 /nfs/dbraw/zinc/54/27/95/634542795.db2.gz DAQADASJTLAFNZ-GXFFZTMASA-N 2 1 239.363 0.727 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000226127144 635422900 /nfs/dbraw/zinc/42/29/00/635422900.db2.gz VKNLBHBHKWFSAP-NWDGAFQWSA-N 2 1 230.352 0.314 10 0 BCAEMP CN(C)c1nc(NCC2CC([NH3+])C2)cc[nH+]1 ZINC000084448037 631440044 /nfs/dbraw/zinc/44/00/44/631440044.db2.gz SRLITYJFAVWUML-UHFFFAOYSA-N 2 1 221.308 0.692 10 0 BCAEMP C[C@@H](CCO)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000308845934 631691257 /nfs/dbraw/zinc/69/12/57/631691257.db2.gz METGIJKBAJFQES-UWVGGRQHSA-N 2 1 209.293 0.558 10 0 BCAEMP C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250807802 635701887 /nfs/dbraw/zinc/70/18/87/635701887.db2.gz CVJAJLZHVKBSSC-OLZOCXBDSA-N 2 1 223.364 0.909 10 0 BCAEMP C[NH2+][C@](C)(CCn1c[nH+]c(C)c1C)C(N)=O ZINC000051928288 632764936 /nfs/dbraw/zinc/76/49/36/632764936.db2.gz GBSBIEYTUOGYLP-LLVKDONJSA-N 2 1 224.308 0.353 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000040503665 633816382 /nfs/dbraw/zinc/81/63/82/633816382.db2.gz MOCQGPDJJXOMGZ-LBPRGKRZSA-N 2 1 239.363 0.587 10 0 BCAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000310276442 634104949 /nfs/dbraw/zinc/10/49/49/634104949.db2.gz JUMOCKLTOKTSGW-STQMWFEESA-N 2 1 244.379 0.835 10 0 BCAEMP [NH3+]C1CC(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000259231059 635257862 /nfs/dbraw/zinc/25/78/62/635257862.db2.gz PCYPIXHJJVKOHH-HTAVTVPLSA-N 2 1 237.347 0.420 10 0 BCAEMP [NH3+]C1CC(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000259231067 635258983 /nfs/dbraw/zinc/25/89/83/635258983.db2.gz PCYPIXHJJVKOHH-MCIGGMRASA-N 2 1 237.347 0.420 10 0 BCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)[NH3+] ZINC000237406764 636767509 /nfs/dbraw/zinc/76/75/09/636767509.db2.gz DFSKYIZCDRDGMB-NEPJUHHUSA-N 2 1 249.358 0.970 10 0 BCAEMP CCC[NH2+][C@@H](Cn1cc[nH+]c1CC)C(N)=O ZINC000045460500 640567688 /nfs/dbraw/zinc/56/76/88/640567688.db2.gz DCPPRYPBJJICQX-VIFPVBQESA-N 2 1 224.308 0.299 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157202947 640638810 /nfs/dbraw/zinc/63/88/10/640638810.db2.gz VDKMULDBZGUXMP-NWDGAFQWSA-N 2 1 239.363 0.729 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000226126966 640733496 /nfs/dbraw/zinc/73/34/96/640733496.db2.gz CKVSPNKZYMMXIP-RYUDHWBXSA-N 2 1 230.352 0.443 10 0 BCAEMP [NH3+][C@@H]1CC[C@H](CN2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000227469117 640835499 /nfs/dbraw/zinc/83/54/99/640835499.db2.gz HZFJDSBJZWILQT-YNEHKIRRSA-N 2 1 223.364 0.894 10 0 BCAEMP CCCCOC[C@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000227910021 640854243 /nfs/dbraw/zinc/85/42/43/640854243.db2.gz VOPWZHVPPVPOSG-CYBMUJFWSA-N 2 1 244.379 0.848 10 0 BCAEMP CC[NH2+][C@@H](CCn1cc[nH+]c1CC)C(N)=O ZINC000062537312 641059295 /nfs/dbraw/zinc/05/92/95/641059295.db2.gz PBRSWBKSSQPTNA-VIFPVBQESA-N 2 1 224.308 0.299 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000069660913 642893044 /nfs/dbraw/zinc/89/30/44/642893044.db2.gz HZBIDNCYECQNRM-LBPRGKRZSA-N 2 1 230.352 0.456 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000069660938 642893118 /nfs/dbraw/zinc/89/31/18/642893118.db2.gz CKVSPNKZYMMXIP-NEPJUHHUSA-N 2 1 230.352 0.443 10 0 BCAEMP CCCc1[nH+]ccn1C[C@H]([NH2+]CC)C(N)=O ZINC000069964642 642946997 /nfs/dbraw/zinc/94/69/97/642946997.db2.gz YVDJTGYJZBZBHE-VIFPVBQESA-N 2 1 224.308 0.299 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070099139 642969251 /nfs/dbraw/zinc/96/92/51/642969251.db2.gz NFJKWQVYGJBYNU-FRRDWIJNSA-N 2 1 244.379 0.832 10 0 BCAEMP [NH3+][C@H]1C[NH2+]CC[C@H]1c1cccc(C=O)c1 ZINC000757211186 643371609 /nfs/dbraw/zinc/37/16/09/643371609.db2.gz GSKPYXQNVWLJOE-RYUDHWBXSA-N 2 1 204.273 0.903 10 0 BCAEMP [NH3+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(C=O)c1 ZINC000757211187 643371849 /nfs/dbraw/zinc/37/18/49/643371849.db2.gz GSKPYXQNVWLJOE-VXGBXAGGSA-N 2 1 204.273 0.903 10 0 BCAEMP C[NH2+]CCN(C)c1cc[nH+]c(N(C)C)n1 ZINC000082924207 643389686 /nfs/dbraw/zinc/38/96/86/643389686.db2.gz CRLYXVGQJCISCU-UHFFFAOYSA-N 2 1 209.297 0.198 10 0 BCAEMP Cc1[nH+]cn(C[C@]([NH3+])(C(N)=O)C2CC2)c1C ZINC000068943281 643435473 /nfs/dbraw/zinc/43/54/73/643435473.db2.gz XWZSFBZMKRWHGM-LLVKDONJSA-N 2 1 222.292 0.093 10 0 BCAEMP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)nc1C ZINC000321528865 644135479 /nfs/dbraw/zinc/13/54/79/644135479.db2.gz IRYGYBNMOZUYKN-UHFFFAOYSA-N 2 1 249.362 0.928 10 0 BCAEMP Cc1[nH+]ccn1[C@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000086604656 644155022 /nfs/dbraw/zinc/15/50/22/644155022.db2.gz SXOBAOBNFRRTPN-ONGXEEELSA-N 2 1 222.292 0.489 10 0 BCAEMP COC(=O)[C@]1([NH3+])CC[C@H](n2cc[nH+]c2C)C1 ZINC000086626667 644156620 /nfs/dbraw/zinc/15/66/20/644156620.db2.gz PBNNCXJXHZMBSN-ONGXEEELSA-N 2 1 223.276 0.787 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250586411 644768283 /nfs/dbraw/zinc/76/82/83/644768283.db2.gz NFJKWQVYGJBYNU-YNEHKIRRSA-N 2 1 244.379 0.832 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(N(C)C)n1 ZINC000721973542 711854872 /nfs/dbraw/zinc/85/48/72/711854872.db2.gz RPNXRLSMMMOBFT-RKDXNWHRSA-N 2 1 221.308 0.562 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712668376 712439583 /nfs/dbraw/zinc/43/95/83/712439583.db2.gz JJPUNQDMCDRJBB-SNVBAGLBSA-N 2 1 227.352 0.537 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000715124903 712510745 /nfs/dbraw/zinc/51/07/45/712510745.db2.gz SSMHAABMDSFMBX-MXWKQRLJSA-N 2 1 225.336 0.419 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812762 712762544 /nfs/dbraw/zinc/76/25/44/712762544.db2.gz ADCRLPHFBSLLCF-GHMZBOCLSA-N 2 1 225.336 0.420 10 0 BCAEMP Cc1cn(C)nc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000723980225 711551249 /nfs/dbraw/zinc/55/12/49/711551249.db2.gz HRKZNLBJAPRAFB-GXSJLCMTSA-N 2 1 222.336 0.755 10 0 BCAEMP Cc1cn(C)nc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000723980225 711551253 /nfs/dbraw/zinc/55/12/53/711551253.db2.gz HRKZNLBJAPRAFB-GXSJLCMTSA-N 2 1 222.336 0.755 10 0 BCAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CCCO1 ZINC000313333585 711718636 /nfs/dbraw/zinc/71/86/36/711718636.db2.gz FKJPKKKGARFCIZ-GHMZBOCLSA-N 2 1 214.309 0.215 10 0 BCAEMP CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)C(=O)OC ZINC000669384771 711790222 /nfs/dbraw/zinc/79/02/22/711790222.db2.gz FIRUODJMTYPPRQ-UTLUCORTSA-N 2 1 214.309 0.655 10 0 BCAEMP C[N@@H+]1CC[C@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000702552602 712055049 /nfs/dbraw/zinc/05/50/49/712055049.db2.gz VOPHREXCXMWHMS-AWEZNQCLSA-N 2 1 234.343 0.885 10 0 BCAEMP C[N@H+]1CC[C@](O)(C[NH2+]CCc2ccccc2)C1 ZINC000702552602 712055050 /nfs/dbraw/zinc/05/50/50/712055050.db2.gz VOPHREXCXMWHMS-AWEZNQCLSA-N 2 1 234.343 0.885 10 0 BCAEMP C[NH2+]CCOCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000706686973 712152504 /nfs/dbraw/zinc/15/25/04/712152504.db2.gz DXYSPLFAHPUNOS-NSHDSACASA-N 2 1 216.325 0.333 10 0 BCAEMP COC1CC(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000708851859 712201219 /nfs/dbraw/zinc/20/12/19/712201219.db2.gz DHVCJGQMNRYDOQ-ZYGVAYEYSA-N 2 1 212.337 0.938 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708893249 712202796 /nfs/dbraw/zinc/20/27/96/712202796.db2.gz JNNKIZSLIPNYKR-IJLUTSLNSA-N 2 1 230.352 0.299 10 0 BCAEMP CO[C@@H]1C[N@@H+](CCCCCCO)[C@](C)(C[NH3+])C1 ZINC000708963929 712204430 /nfs/dbraw/zinc/20/44/30/712204430.db2.gz LGKQZAZUIMWSGW-STQMWFEESA-N 2 1 244.379 0.977 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000708575102 712213272 /nfs/dbraw/zinc/21/32/72/712213272.db2.gz GRMMAFULCNZIBB-AGIUHOORSA-N 2 1 244.379 0.248 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708575102 712213274 /nfs/dbraw/zinc/21/32/74/712213274.db2.gz GRMMAFULCNZIBB-AGIUHOORSA-N 2 1 244.379 0.248 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708575102 712213275 /nfs/dbraw/zinc/21/32/75/712213275.db2.gz GRMMAFULCNZIBB-AGIUHOORSA-N 2 1 244.379 0.248 10 0 BCAEMP COC(=O)CC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712525191 712441247 /nfs/dbraw/zinc/44/12/47/712441247.db2.gz UPMGFTUZYFQPCM-UHFFFAOYSA-N 2 1 214.309 0.623 10 0 BCAEMP COC(=O)CC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712525191 712441249 /nfs/dbraw/zinc/44/12/49/712441249.db2.gz UPMGFTUZYFQPCM-UHFFFAOYSA-N 2 1 214.309 0.623 10 0 BCAEMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885185 712874148 /nfs/dbraw/zinc/87/41/48/712874148.db2.gz CWUDJIJBNBSRPB-SDDRHHMPSA-N 2 1 237.347 0.291 10 0 BCAEMP C[NH2+]CC(F)(F)CO[C@H]1CC[N@H+](C)C1 ZINC000685956942 538900562 /nfs/dbraw/zinc/90/05/62/538900562.db2.gz MYLJIDSTIHRJOB-QMMMGPOBSA-N 2 1 208.252 0.562 10 0 BCAEMP C[NH2+]CC(F)(F)CO[C@H]1CC[N@@H+](C)C1 ZINC000685956942 538900563 /nfs/dbraw/zinc/90/05/63/538900563.db2.gz MYLJIDSTIHRJOB-QMMMGPOBSA-N 2 1 208.252 0.562 10 0 BCAEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115839 349438153 /nfs/dbraw/zinc/43/81/53/349438153.db2.gz QYMNVZNVZHJXCE-NWDGAFQWSA-N 2 1 239.363 0.442 10 0 BCAEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115838 349438387 /nfs/dbraw/zinc/43/83/87/349438387.db2.gz QYMNVZNVZHJXCE-VXGBXAGGSA-N 2 1 239.363 0.442 10 0 BCAEMP C[C@@H](O)C1CC[NH+]([C@H](C)[C@H](C)[NH3+])CC1 ZINC000307511898 398173970 /nfs/dbraw/zinc/17/39/70/398173970.db2.gz LXEQDSOWDMSERX-IVZWLZJFSA-N 2 1 200.326 0.815 10 0 BCAEMP Cc1cc(NC[C@H]2C[NH2+]CCO2)nc(C)[nH+]1 ZINC000227786924 178169884 /nfs/dbraw/zinc/16/98/84/178169884.db2.gz ZUFBEMVTNQFXJS-SNVBAGLBSA-N 2 1 222.292 0.494 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3cn[nH]c3)C[C@@H]12 ZINC000381495398 398257828 /nfs/dbraw/zinc/25/78/28/398257828.db2.gz BOKFVPAQBXEJFP-IJLUTSLNSA-N 2 1 220.320 0.621 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCc3cn[nH]c3)C[C@H]12 ZINC000381495391 398257866 /nfs/dbraw/zinc/25/78/66/398257866.db2.gz BOKFVPAQBXEJFP-GRYCIOLGSA-N 2 1 220.320 0.621 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000227057585 323007827 /nfs/dbraw/zinc/00/78/27/323007827.db2.gz SRNFJSGVXDESGQ-JOYOIKCWSA-N 2 1 222.336 0.898 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000227057585 323007828 /nfs/dbraw/zinc/00/78/28/323007828.db2.gz SRNFJSGVXDESGQ-JOYOIKCWSA-N 2 1 222.336 0.898 10 0 BCAEMP C[NH+](C)C[C@@H]1COC[C@@H]1[NH+]1CCC(CO)CC1 ZINC000725273977 539026849 /nfs/dbraw/zinc/02/68/49/539026849.db2.gz ZVEUBSAZMHRTCB-OLZOCXBDSA-N 2 1 242.363 0.267 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCC[NH3+] ZINC000094460107 343156294 /nfs/dbraw/zinc/15/62/94/343156294.db2.gz GFPVRBVFMHPOGP-NWDGAFQWSA-N 2 1 239.363 0.811 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094446959 343156299 /nfs/dbraw/zinc/15/62/99/343156299.db2.gz QFVFJEUSZMZVSU-QJPTWQEYSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@H](C[NH3+])CNc1cc[nH+]c(N(C)C)n1 ZINC000083387519 343480116 /nfs/dbraw/zinc/48/01/16/343480116.db2.gz SHOJCXHMGOWONV-MRVPVSSYSA-N 2 1 209.297 0.549 10 0 BCAEMP C[C@H]([NH3+])CCNc1cc[nH+]c(N(C)C)n1 ZINC000082924379 343471871 /nfs/dbraw/zinc/47/18/71/343471871.db2.gz AEBWINPKINXOQA-QMMMGPOBSA-N 2 1 209.297 0.692 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000040924890 344410762 /nfs/dbraw/zinc/41/07/62/344410762.db2.gz LAPXUKATZSDRGT-VIFPVBQESA-N 2 1 213.325 0.324 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000309437845 347062233 /nfs/dbraw/zinc/06/22/33/347062233.db2.gz KXVQUMCMCIWIAZ-JQWIXIFHSA-N 2 1 226.320 0.610 10 0 BCAEMP CN(C)[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 ZINC000675053235 537864885 /nfs/dbraw/zinc/86/48/85/537864885.db2.gz GHNXKPBMEUJPBM-IJLUTSLNSA-N 2 1 211.353 0.750 10 0 BCAEMP CCc1[nH+]c(C)cn1[C@H](C)[C@@H]([NH3+])C(N)=O ZINC000715144529 537865283 /nfs/dbraw/zinc/86/52/83/537865283.db2.gz JSWMHWAPZFYOSG-VXNVDRBHSA-N 2 1 210.281 0.128 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)C[NH2+]C ZINC000245442175 345227979 /nfs/dbraw/zinc/22/79/79/345227979.db2.gz WBLLQMVUMVYPCV-NEPJUHHUSA-N 2 1 241.379 0.785 10 0 BCAEMP Cc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cnn1C ZINC000634999496 345200409 /nfs/dbraw/zinc/20/04/09/345200409.db2.gz VJUWEGJLEIYUHB-MWLCHTKSSA-N 2 1 222.336 0.755 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241441 537979340 /nfs/dbraw/zinc/97/93/40/537979340.db2.gz FLHQBORWELORDF-FRRDWIJNSA-N 2 1 223.364 0.907 10 0 BCAEMP C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC[NH2+]1 ZINC000725241730 537981015 /nfs/dbraw/zinc/98/10/15/537981015.db2.gz NZYDPYRLCPMSMG-FRRDWIJNSA-N 2 1 223.364 0.907 10 0 BCAEMP COc1cc([C@H]2CC[NH2+]C[C@@H]2[NH3+])ccn1 ZINC000725242464 537986553 /nfs/dbraw/zinc/98/65/53/537986553.db2.gz HUCJNUDMIUAUFR-ZJUUUORDSA-N 2 1 207.277 0.494 10 0 BCAEMP CO[C@H](C)C[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000299893033 347151200 /nfs/dbraw/zinc/15/12/00/347151200.db2.gz GXTQWJCHSMTNPB-WDEREUQCSA-N 2 1 200.326 0.953 10 0 BCAEMP C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000382236777 347242575 /nfs/dbraw/zinc/24/25/75/347242575.db2.gz QQNUBSUUHICSOG-ADEWGFFLSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000382236777 347242579 /nfs/dbraw/zinc/24/25/79/347242579.db2.gz QQNUBSUUHICSOG-ADEWGFFLSA-N 2 1 228.336 0.209 10 0 BCAEMP CN(C)[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000250338224 362799667 /nfs/dbraw/zinc/79/96/67/362799667.db2.gz AVEHEQOGFLIYCX-NEPJUHHUSA-N 2 1 211.353 0.622 10 0 BCAEMP CCC[N@H+]1CC[C@H](O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725246462 538006846 /nfs/dbraw/zinc/00/68/46/538006846.db2.gz WZLTVXQFLSGDFW-GRYCIOLGSA-N 2 1 212.337 0.689 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054074461 348889642 /nfs/dbraw/zinc/88/96/42/348889642.db2.gz DAKCGJDQNXMKIX-ZJUUUORDSA-N 2 1 225.336 0.195 10 0 BCAEMP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251879809 349192585 /nfs/dbraw/zinc/19/25/85/349192585.db2.gz URRDCOOUUWGDML-QWRGUYRKSA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1([NH3+])CC1 ZINC000251879809 349192587 /nfs/dbraw/zinc/19/25/87/349192587.db2.gz URRDCOOUUWGDML-QWRGUYRKSA-N 2 1 237.347 0.563 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251945757 349194241 /nfs/dbraw/zinc/19/42/41/349194241.db2.gz ZZJUGIAPPRAIBZ-MXWKQRLJSA-N 2 1 225.336 0.289 10 0 BCAEMP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252613371 349206896 /nfs/dbraw/zinc/20/68/96/349206896.db2.gz XFGISJYEOYOXKW-SDDRHHMPSA-N 2 1 237.347 0.291 10 0 BCAEMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH3+])C[C@H]1O ZINC000299901182 349314307 /nfs/dbraw/zinc/31/43/07/349314307.db2.gz AUYAJHDKGARFLF-VHSXEESVSA-N 2 1 200.326 0.674 10 0 BCAEMP COC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309178252 350120783 /nfs/dbraw/zinc/12/07/83/350120783.db2.gz NIHHVJKVETTYJI-JTQLQIEISA-N 2 1 216.325 0.068 10 0 BCAEMP C([NH2+]C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000238023751 191072649 /nfs/dbraw/zinc/07/26/49/191072649.db2.gz BFHPUFIKTFQEIP-VXGBXAGGSA-N 3 1 211.353 0.575 10 0 BCAEMP Cc1[nH+]ccn1CCN1CCC[C@@H]([NH3+])C1 ZINC000049331267 180252242 /nfs/dbraw/zinc/25/22/42/180252242.db2.gz CGEYIZMIRKDZGN-LLVKDONJSA-N 2 1 208.309 0.615 10 0 BCAEMP Cc1[nH+]ccn1CCN1CCC[C@H]1C[NH3+] ZINC000049330740 180252641 /nfs/dbraw/zinc/25/26/41/180252641.db2.gz KVYXSMUXWCDLTM-NSHDSACASA-N 2 1 208.309 0.615 10 0 BCAEMP CN(C)C(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309409260 350371752 /nfs/dbraw/zinc/37/17/52/350371752.db2.gz WKHZFCYGRVHXCT-AXFHLTTASA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@](O)(C[NH3+])C[N@H+]1CCCSCC1 ZINC000306683608 350841422 /nfs/dbraw/zinc/84/14/22/350841422.db2.gz WNOQRYSBBZRLCL-VIFPVBQESA-N 2 1 204.339 0.135 10 0 BCAEMP CCOCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000087977718 351446336 /nfs/dbraw/zinc/44/63/36/351446336.db2.gz SJMZXMGEEBLLQP-NSHDSACASA-N 2 1 200.326 0.954 10 0 BCAEMP [NH3+][C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000307436955 352596177 /nfs/dbraw/zinc/59/61/77/352596177.db2.gz UGZGRYIJBMRENQ-STQMWFEESA-N 2 1 245.326 0.430 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000040503522 352598095 /nfs/dbraw/zinc/59/80/95/352598095.db2.gz QKSVAGYOOWWSCE-RYUDHWBXSA-N 2 1 239.363 0.729 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000040503523 352598134 /nfs/dbraw/zinc/59/81/34/352598134.db2.gz QKSVAGYOOWWSCE-NEPJUHHUSA-N 2 1 239.363 0.729 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000040503494 352598457 /nfs/dbraw/zinc/59/84/57/352598457.db2.gz QQKJRLUYJAXTQJ-WDEREUQCSA-N 2 1 241.379 0.960 10 0 BCAEMP Nc1c[nH+]cc(Cl)c1N1CC[NH2+]CC1 ZINC000307448181 352603178 /nfs/dbraw/zinc/60/31/78/352603178.db2.gz YMVZXTSJYPZQPV-UHFFFAOYSA-N 2 1 212.684 0.727 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H]1CC[NH2+]C1 ZINC000251773772 487535838 /nfs/dbraw/zinc/53/58/38/487535838.db2.gz MOEPPKWCFVVXNZ-UPJWGTAASA-N 2 1 223.364 0.764 10 0 BCAEMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC000038040750 188116708 /nfs/dbraw/zinc/11/67/08/188116708.db2.gz YVQHJUZFKISNQJ-UHFFFAOYSA-N 2 1 221.304 0.932 10 0 BCAEMP CC(C)=CC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031398 188117105 /nfs/dbraw/zinc/11/71/05/188117105.db2.gz QMSAIOWFRVCYDI-UHFFFAOYSA-N 2 1 225.336 0.316 10 0 BCAEMP CC(C)=CC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031398 188117107 /nfs/dbraw/zinc/11/71/07/188117107.db2.gz QMSAIOWFRVCYDI-UHFFFAOYSA-N 2 1 225.336 0.316 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055086484 353346251 /nfs/dbraw/zinc/34/62/51/353346251.db2.gz NKMWOPPKMHIOCY-RYUDHWBXSA-N 2 1 239.363 0.668 10 0 BCAEMP CN(CC(F)(F)C[NH3+])[C@H]1CC[N@H+](C)C1 ZINC000308571923 538116898 /nfs/dbraw/zinc/11/68/98/538116898.db2.gz KSTNJLDGZCFARO-QMMMGPOBSA-N 2 1 207.268 0.216 10 0 BCAEMP CN(CC(F)(F)C[NH3+])[C@H]1CC[N@@H+](C)C1 ZINC000308571923 538116899 /nfs/dbraw/zinc/11/68/99/538116899.db2.gz KSTNJLDGZCFARO-QMMMGPOBSA-N 2 1 207.268 0.216 10 0 BCAEMP COCCOCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670655 353642362 /nfs/dbraw/zinc/64/23/62/353642362.db2.gz WVFGRMDJJMBFBQ-GFCCVEGCSA-N 2 1 230.352 0.723 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000097092514 353708910 /nfs/dbraw/zinc/70/89/10/353708910.db2.gz NBXAIZHTYVEYSW-GRYCIOLGSA-N 2 1 239.363 0.714 10 0 BCAEMP CO[C@@H]1C[C@H](CO)[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000344726033 354345665 /nfs/dbraw/zinc/34/56/65/354345665.db2.gz STULMSJARSNFJO-JHJVBQTASA-N 2 1 242.363 0.552 10 0 BCAEMP CO[C@@H]1C[C@H](CO)[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000344726033 354345666 /nfs/dbraw/zinc/34/56/66/354345666.db2.gz STULMSJARSNFJO-JHJVBQTASA-N 2 1 242.363 0.552 10 0 BCAEMP C[C@H]([NH3+])[C@H](CO)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817693 363442880 /nfs/dbraw/zinc/44/28/80/363442880.db2.gz OIJPSJNQQURUCU-VLEAKVRGSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@H]([NH3+])[C@H](CO)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817693 363442881 /nfs/dbraw/zinc/44/28/81/363442881.db2.gz OIJPSJNQQURUCU-VLEAKVRGSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000113444719 354999210 /nfs/dbraw/zinc/99/92/10/354999210.db2.gz ISUMYGRNWRFHAU-GHMZBOCLSA-N 2 1 225.336 0.243 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH+](C)C ZINC000113444719 354999214 /nfs/dbraw/zinc/99/92/14/354999214.db2.gz ISUMYGRNWRFHAU-GHMZBOCLSA-N 2 1 225.336 0.243 10 0 BCAEMP C[C@H]([NH3+])[C@@H](CO)[N@@H+]1CCCCC[C@@H]1C ZINC000224823174 363495774 /nfs/dbraw/zinc/49/57/74/363495774.db2.gz HPEUYGIYTZFQQF-GARJFASQSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H]([NH3+])[C@@H](CO)[N@H+]1CCCCC[C@@H]1C ZINC000224823174 363495780 /nfs/dbraw/zinc/49/57/80/363495780.db2.gz HPEUYGIYTZFQQF-GARJFASQSA-N 2 1 200.326 0.959 10 0 BCAEMP CC[N@H+]1CC[C@@H](NC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000389477318 356684654 /nfs/dbraw/zinc/68/46/54/356684654.db2.gz WNGNKQXXNLQQFF-DGCLKSJQSA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000389477318 356684658 /nfs/dbraw/zinc/68/46/58/356684658.db2.gz WNGNKQXXNLQQFF-DGCLKSJQSA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000389477318 356684662 /nfs/dbraw/zinc/68/46/62/356684662.db2.gz WNGNKQXXNLQQFF-DGCLKSJQSA-N 2 1 241.379 0.125 10 0 BCAEMP C[N@@H+](CC(C)(C)O)[C@@H]1CCC[NH2+]CC1 ZINC000160718846 357320423 /nfs/dbraw/zinc/32/04/23/357320423.db2.gz TURUVBQBKUCQFM-SNVBAGLBSA-N 2 1 200.326 0.831 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1N1CC[NH+](C)CC1 ZINC000685950539 538893821 /nfs/dbraw/zinc/89/38/21/538893821.db2.gz AWYRKTDPNSTWEB-GHMZBOCLSA-N 2 1 211.353 0.478 10 0 BCAEMP N[C@@H]1C[NH2+]CC[C@@H]1C1=CC[C@@]2(C[C@@H]2[NH3+])CC1 ZINC000685950317 538893983 /nfs/dbraw/zinc/89/39/83/538893983.db2.gz NBIWFKWMTVKRRH-NDBYEHHHSA-N 2 1 221.348 0.751 10 0 BCAEMP C[C@@H]1C[N@@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951181 538894506 /nfs/dbraw/zinc/89/45/06/538894506.db2.gz OXWBRGWVLZQSIS-KXNHARMFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[N@H+]([C@H]2[C@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951181 538894507 /nfs/dbraw/zinc/89/45/07/538894507.db2.gz OXWBRGWVLZQSIS-KXNHARMFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@@H+]1CCOC[C@H]1C ZINC000685951431 538895356 /nfs/dbraw/zinc/89/53/56/538895356.db2.gz UHFROZQLOFAVNB-KXNHARMFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)[C@H]1[N@H+]1CCOC[C@H]1C ZINC000685951431 538895357 /nfs/dbraw/zinc/89/53/57/538895357.db2.gz UHFROZQLOFAVNB-KXNHARMFSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@@H+]1CCOC[C@H]1C ZINC000685951430 538895571 /nfs/dbraw/zinc/89/55/71/538895571.db2.gz UHFROZQLOFAVNB-GMTAPVOTSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H](C)C1[N@H+]1CCOC[C@H]1C ZINC000685951430 538895572 /nfs/dbraw/zinc/89/55/72/538895572.db2.gz UHFROZQLOFAVNB-GMTAPVOTSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(C)(C)O ZINC000168966955 358001744 /nfs/dbraw/zinc/00/17/44/358001744.db2.gz NJHNTAXHQHQNKX-NXEZZACHSA-N 2 1 200.326 0.959 10 0 BCAEMP CCNC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000168806549 134247067 /nfs/dbraw/zinc/24/70/67/134247067.db2.gz KDQSLAQMJJTMRW-NSHDSACASA-N 2 1 227.352 0.587 10 0 BCAEMP CCNC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000168806549 134247068 /nfs/dbraw/zinc/24/70/68/134247068.db2.gz KDQSLAQMJJTMRW-NSHDSACASA-N 2 1 227.352 0.587 10 0 BCAEMP COCC[N@H+](C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168749042 134247636 /nfs/dbraw/zinc/24/76/36/134247636.db2.gz GOFUWXQOZZUCOD-GFCCVEGCSA-N 2 1 229.368 0.296 10 0 BCAEMP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)O ZINC000584585488 358099509 /nfs/dbraw/zinc/09/95/09/358099509.db2.gz HHNSJIJQHBWQMU-UHFFFAOYSA-N 2 1 211.309 0.942 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040503663 358237460 /nfs/dbraw/zinc/23/74/60/358237460.db2.gz ZAAXYIAPFUBDKB-GFCCVEGCSA-N 2 1 239.363 0.729 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040503661 358237606 /nfs/dbraw/zinc/23/76/06/358237606.db2.gz ZAAXYIAPFUBDKB-LBPRGKRZSA-N 2 1 239.363 0.729 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624505 358243893 /nfs/dbraw/zinc/24/38/93/358243893.db2.gz BWVKWBPMZUUGLP-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP CN(C)C(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226467191 358339832 /nfs/dbraw/zinc/33/98/32/358339832.db2.gz KYULZQXHWMAPKH-LLVKDONJSA-N 2 1 227.352 0.539 10 0 BCAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CC[C@@](C)(O)C1 ZINC000306151217 358914449 /nfs/dbraw/zinc/91/44/49/358914449.db2.gz HFFIDVKMOVUOAE-HBNTYKKESA-N 2 1 200.326 0.959 10 0 BCAEMP c1ccc(C[N@@H+]2CC[C@H](NC3=[NH+]CCN3)C2)cc1 ZINC000306223894 359347834 /nfs/dbraw/zinc/34/78/34/359347834.db2.gz CHHYAKSHAOPLMR-ZDUSSCGKSA-N 2 1 244.342 0.810 10 0 BCAEMP c1ccc(C[N@H+]2CC[C@H](NC3=[NH+]CCN3)C2)cc1 ZINC000306223894 359347838 /nfs/dbraw/zinc/34/78/38/359347838.db2.gz CHHYAKSHAOPLMR-ZDUSSCGKSA-N 2 1 244.342 0.810 10 0 BCAEMP C[C@@H]1C[C@@](N)(C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000306304606 359583733 /nfs/dbraw/zinc/58/37/33/359583733.db2.gz BSHAGUJEZDPTKC-DGCLKSJQSA-N 2 1 219.332 0.937 10 0 BCAEMP CCc1nc(N2CC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000045954716 359747079 /nfs/dbraw/zinc/74/70/79/359747079.db2.gz DDQUNGOWVXTNSY-VIFPVBQESA-N 2 1 206.293 0.885 10 0 BCAEMP NC(=O)c1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038040880 181302983 /nfs/dbraw/zinc/30/29/83/181302983.db2.gz VDSBLMYWCLCNLE-UHFFFAOYSA-N 2 1 233.315 0.627 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](C)[NH3+] ZINC000252580630 363894168 /nfs/dbraw/zinc/89/41/68/363894168.db2.gz QROPHIXZJIHXKA-QWRGUYRKSA-N 2 1 227.352 0.666 10 0 BCAEMP C[N@@H+](CC(C)(C)O)[C@H]1CCCC[C@H]1[NH3+] ZINC000252612106 364054655 /nfs/dbraw/zinc/05/46/55/364054655.db2.gz WCNPVENHABTHPC-ZJUUUORDSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000630552199 364246973 /nfs/dbraw/zinc/24/69/73/364246973.db2.gz CEVBLTMRPKZWBN-ZJUUUORDSA-N 2 1 235.335 0.574 10 0 BCAEMP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1C[NH3+] ZINC000630570955 364265736 /nfs/dbraw/zinc/26/57/36/364265736.db2.gz NFCKWNCIBJIDJF-IUCAKERBSA-N 2 1 231.303 0.989 10 0 BCAEMP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000630570954 364266415 /nfs/dbraw/zinc/26/64/15/364266415.db2.gz NFCKWNCIBJIDJF-DTWKUNHWSA-N 2 1 231.303 0.989 10 0 BCAEMP CCC[C@H](C[NH2+]C1CC[NH+](CCO)CC1)OC ZINC000399022108 364727151 /nfs/dbraw/zinc/72/71/51/364727151.db2.gz HQZJYLZUNSODDC-CYBMUJFWSA-N 2 1 244.379 0.848 10 0 BCAEMP COC(=O)[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000669384998 541438259 /nfs/dbraw/zinc/43/82/59/541438259.db2.gz RTUDUEHPFGTNCA-YIZRAAEISA-N 2 1 200.282 0.265 10 0 BCAEMP C[C@@H]([NH2+]CC[C@H](C)O)[C@@H]1CCCC[NH2+]1 ZINC000386179589 367925865 /nfs/dbraw/zinc/92/58/65/367925865.db2.gz XXEOGSLNVWVZLA-AXFHLTTASA-N 2 1 200.326 0.878 10 0 BCAEMP OC[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280561 367944562 /nfs/dbraw/zinc/94/45/62/367944562.db2.gz QWAHYABEWRMALP-RYUDHWBXSA-N 2 1 212.337 0.879 10 0 BCAEMP OC[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000386280560 367945052 /nfs/dbraw/zinc/94/50/52/367945052.db2.gz QWAHYABEWRMALP-NWDGAFQWSA-N 2 1 212.337 0.879 10 0 BCAEMP C[C@H](NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492995 367981473 /nfs/dbraw/zinc/98/14/73/367981473.db2.gz URLAFSQEUDZZST-YNEHKIRRSA-N 2 1 241.379 0.437 10 0 BCAEMP C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492995 367981475 /nfs/dbraw/zinc/98/14/75/367981475.db2.gz URLAFSQEUDZZST-YNEHKIRRSA-N 2 1 241.379 0.437 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH3+])C1 ZINC000253114057 368507431 /nfs/dbraw/zinc/50/74/31/368507431.db2.gz ZGSYWZNKDHCCAU-RCWTZXSCSA-N 2 1 200.326 0.672 10 0 BCAEMP CC[NH+]1CCC(CN[C@H]2CC[NH2+]C2)CC1 ZINC000086729495 368884068 /nfs/dbraw/zinc/88/40/68/368884068.db2.gz KDZNYKOWUQJOGH-LBPRGKRZSA-N 2 1 211.353 0.670 10 0 BCAEMP O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623766631 369030050 /nfs/dbraw/zinc/03/00/50/369030050.db2.gz JLUAMZFODFUSIP-MROQNXINSA-N 2 1 240.347 0.353 10 0 BCAEMP C[C@H]1C[N@@H+](CCCc2cncn2C)C[C@@H]1C[NH3+] ZINC000631836998 369091842 /nfs/dbraw/zinc/09/18/42/369091842.db2.gz LINQNLLGQDHIJF-RYUDHWBXSA-N 2 1 236.363 0.879 10 0 BCAEMP CCCCNC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843094 369373208 /nfs/dbraw/zinc/37/32/08/369373208.db2.gz JFYGWRKMVIXDPI-QWRGUYRKSA-N 2 1 227.352 0.429 10 0 BCAEMP CCCCNC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843094 369373210 /nfs/dbraw/zinc/37/32/10/369373210.db2.gz JFYGWRKMVIXDPI-QWRGUYRKSA-N 2 1 227.352 0.429 10 0 BCAEMP CCCNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843861 369376286 /nfs/dbraw/zinc/37/62/86/369376286.db2.gz SKLNEPIUVDZIPH-ZJUUUORDSA-N 2 1 213.325 0.039 10 0 BCAEMP CCCNC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843861 369376291 /nfs/dbraw/zinc/37/62/91/369376291.db2.gz SKLNEPIUVDZIPH-ZJUUUORDSA-N 2 1 213.325 0.039 10 0 BCAEMP CCCNC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843860 369376351 /nfs/dbraw/zinc/37/63/51/369376351.db2.gz SKLNEPIUVDZIPH-VHSXEESVSA-N 2 1 213.325 0.039 10 0 BCAEMP CCCNC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843860 369376356 /nfs/dbraw/zinc/37/63/56/369376356.db2.gz SKLNEPIUVDZIPH-VHSXEESVSA-N 2 1 213.325 0.039 10 0 BCAEMP CC(C)[N@@H+](C)[C@H]1CCC[C@@](N)(C(N)=O)C1 ZINC000225505613 370958082 /nfs/dbraw/zinc/95/80/82/370958082.db2.gz LXFHXDAPJNBMGD-ONGXEEELSA-N 2 1 213.325 0.452 10 0 BCAEMP CC[C@H]1C[N@@H+](CCC(=O)OC)CC[C@H]1[NH3+] ZINC000251682797 369897391 /nfs/dbraw/zinc/89/73/91/369897391.db2.gz HZPFONREHPBIBQ-VHSXEESVSA-N 2 1 214.309 0.609 10 0 BCAEMP CC[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000624234968 371421611 /nfs/dbraw/zinc/42/16/11/371421611.db2.gz AFMPWSIVBWDWCA-NWDGAFQWSA-N 2 1 228.336 0.210 10 0 BCAEMP CC[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000624234969 371422585 /nfs/dbraw/zinc/42/25/85/371422585.db2.gz AFMPWSIVBWDWCA-RYUDHWBXSA-N 2 1 228.336 0.210 10 0 BCAEMP CC[C@H](C[NH3+])[C@@]1(O)CC[N@@H+](C)[C@@H](C)C1 ZINC000226854945 371752349 /nfs/dbraw/zinc/75/23/49/371752349.db2.gz WELBDZNRTLDYSS-HBNTYKKESA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@H]1SCC[N@@H+](C[C@H](O)C[NH3+])[C@@H]1C ZINC000132332589 371793268 /nfs/dbraw/zinc/79/32/68/371793268.db2.gz QPAZHGXTIRVRKB-IWSPIJDZSA-N 2 1 204.339 0.132 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+]([C@@H](CN)CO)C1 ZINC000229372632 372148097 /nfs/dbraw/zinc/14/80/97/372148097.db2.gz TUSXKCJBANABEX-YTWAJWBKSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+]([C@@H](C[NH3+])CO)C1 ZINC000229372632 372148101 /nfs/dbraw/zinc/14/81/01/372148101.db2.gz TUSXKCJBANABEX-YTWAJWBKSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+]([C@@H](C[NH3+])CO)C1 ZINC000229372632 372148107 /nfs/dbraw/zinc/14/81/07/372148107.db2.gz TUSXKCJBANABEX-YTWAJWBKSA-N 2 1 200.326 0.672 10 0 BCAEMP CCN(CC)C(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837415 372617825 /nfs/dbraw/zinc/61/78/25/372617825.db2.gz BFMLDRHXJPSITJ-QWRGUYRKSA-N 2 1 227.352 0.381 10 0 BCAEMP C[C@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000631837738 372629011 /nfs/dbraw/zinc/62/90/11/372629011.db2.gz DSMXOYCIZOHLEP-JQWIXIFHSA-N 2 1 222.336 0.489 10 0 BCAEMP CCOCCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839193 372633809 /nfs/dbraw/zinc/63/38/09/372633809.db2.gz BQOKTBCBSJQOAW-QWRGUYRKSA-N 2 1 200.326 0.940 10 0 BCAEMP C[C@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000631839779 372634642 /nfs/dbraw/zinc/63/46/42/372634642.db2.gz KSGDMLNTHWHVQS-JQWIXIFHSA-N 2 1 212.337 0.940 10 0 BCAEMP C[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843199 372641688 /nfs/dbraw/zinc/64/16/88/372641688.db2.gz KITHDGANFOFODR-NEPJUHHUSA-N 2 1 239.363 0.526 10 0 BCAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843199 372641692 /nfs/dbraw/zinc/64/16/92/372641692.db2.gz 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CCC[NH2+][C@@H](CC[N@H+]1CCC[C@H](C)C1)C(N)=O ZINC000062441048 169278486 /nfs/dbraw/zinc/27/84/86/169278486.db2.gz KJDFSHDODFFPSP-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH2+]CC)C1 ZINC000042421752 169311856 /nfs/dbraw/zinc/31/18/56/169311856.db2.gz KBIMVBKAHNCXFV-CHWSQXEVSA-N 2 1 244.379 0.848 10 0 BCAEMP CCCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH2+]CC)C1 ZINC000042421752 169311857 /nfs/dbraw/zinc/31/18/57/169311857.db2.gz KBIMVBKAHNCXFV-CHWSQXEVSA-N 2 1 244.379 0.848 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000236911130 169387772 /nfs/dbraw/zinc/38/77/72/169387772.db2.gz SDNZCQQHRMPHDH-VXGBXAGGSA-N 2 1 241.379 0.914 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000236917075 169502044 /nfs/dbraw/zinc/50/20/44/169502044.db2.gz UIKLOXWRYFBRQR-FOGDFJRCSA-N 2 1 239.363 0.855 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000401986248 384373392 /nfs/dbraw/zinc/37/33/92/384373392.db2.gz BZEMZVFYDDCBNN-ZYHUDNBSSA-N 2 1 228.336 0.210 10 0 BCAEMP COc1nccnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000095071607 384341839 /nfs/dbraw/zinc/34/18/39/384341839.db2.gz XAIDHBMCUWTPRO-UHFFFAOYSA-N 2 1 236.319 0.656 10 0 BCAEMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000335919106 384703555 /nfs/dbraw/zinc/70/35/55/384703555.db2.gz HJXJOSAXJQFDLF-IUCAKERBSA-N 2 1 247.289 0.276 10 0 BCAEMP C[N@H+]1CCC[C@H](CCN[C@@H]2CC[NH2+]C2)C1 ZINC000259210541 384958701 /nfs/dbraw/zinc/95/87/01/384958701.db2.gz XCZVWPZVKJMBHF-VXGBXAGGSA-N 2 1 211.353 0.670 10 0 BCAEMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000259210541 384958711 /nfs/dbraw/zinc/95/87/11/384958711.db2.gz XCZVWPZVKJMBHF-VXGBXAGGSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000259210541 384958717 /nfs/dbraw/zinc/95/87/17/384958717.db2.gz XCZVWPZVKJMBHF-VXGBXAGGSA-N 3 1 211.353 0.670 10 0 BCAEMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000407986762 385109820 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COC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063196045 385613005 /nfs/dbraw/zinc/61/30/05/385613005.db2.gz KLCXGOYCBMFACY-NXEZZACHSA-N 2 1 214.309 0.751 10 0 BCAEMP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000336776655 386406361 /nfs/dbraw/zinc/40/63/61/386406361.db2.gz GGADCLPXMYEGNS-GXSJLCMTSA-N 2 1 225.336 0.337 10 0 BCAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000306887988 386479425 /nfs/dbraw/zinc/47/94/25/386479425.db2.gz VIRONICAQQBTBP-KXUCPTDWSA-N 2 1 200.326 0.672 10 0 BCAEMP CC(C)(C[NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094439476 386454589 /nfs/dbraw/zinc/45/45/89/386454589.db2.gz ZEMUONDRJHTEBP-NSHDSACASA-N 2 1 239.363 0.668 10 0 BCAEMP CC(C)(C[NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000094439476 386454596 /nfs/dbraw/zinc/45/45/96/386454596.db2.gz ZEMUONDRJHTEBP-NSHDSACASA-N 2 1 239.363 0.668 10 0 BCAEMP C[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH3+])CC1 ZINC000223277325 386562954 /nfs/dbraw/zinc/56/29/54/386562954.db2.gz QFDFJKMUUCBZGM-QWRGUYRKSA-N 2 1 200.326 0.818 10 0 BCAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)N2 ZINC000307582476 386737026 /nfs/dbraw/zinc/73/70/26/386737026.db2.gz VEAQIRNLMVPVIR-RISCZKNCSA-N 2 1 244.342 0.938 10 0 BCAEMP C[C@H]([NH3+])CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251660365 387209988 /nfs/dbraw/zinc/20/99/88/387209988.db2.gz GVLQFSAJSFQBJI-TUAOUCFPSA-N 2 1 239.363 0.809 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423396611 387231234 /nfs/dbraw/zinc/23/12/34/387231234.db2.gz UIGVRVWJLONNLF-RHYQMDGZSA-N 2 1 211.353 0.667 10 0 BCAEMP CN(C)c1nc(N2CC[C@@](C)(C[NH3+])C2)cc[nH+]1 ZINC000234273101 387307904 /nfs/dbraw/zinc/30/79/04/387307904.db2.gz XSZXVXKJZHCETD-LBPRGKRZSA-N 2 1 235.335 0.718 10 0 BCAEMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000422985755 387796454 /nfs/dbraw/zinc/79/64/54/387796454.db2.gz ADZODCRGVYMLLE-RHYQMDGZSA-N 2 1 211.353 0.654 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000422985755 387796459 /nfs/dbraw/zinc/79/64/59/387796459.db2.gz ADZODCRGVYMLLE-RHYQMDGZSA-N 2 1 211.353 0.654 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085009380 388082852 /nfs/dbraw/zinc/08/28/52/388082852.db2.gz IMNYNRMUARPHCW-QWRGUYRKSA-N 2 1 225.336 0.278 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000085009376 388082912 /nfs/dbraw/zinc/08/29/12/388082912.db2.gz IMNYNRMUARPHCW-MNOVXSKESA-N 2 1 225.336 0.278 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccsc1 ZINC000261528300 135153572 /nfs/dbraw/zinc/15/35/72/135153572.db2.gz MLFYOQWXTAZFJH-NXEZZACHSA-N 2 1 212.318 0.418 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516930670 388526769 /nfs/dbraw/zinc/52/67/69/388526769.db2.gz XBMRPGGGLNLYCI-YFKTTZPYSA-N 2 1 237.347 0.419 10 0 BCAEMP Cc1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cnn1C ZINC000261551841 388643271 /nfs/dbraw/zinc/64/32/71/388643271.db2.gz MKQXIYHTZBWIQI-CYZMBNFOSA-N 2 1 234.347 0.898 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227433611 388750900 /nfs/dbraw/zinc/75/09/00/388750900.db2.gz JXUNNJVAHQHWJQ-CYBMUJFWSA-N 2 1 241.379 0.977 10 0 BCAEMP C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400345640 533395286 /nfs/dbraw/zinc/39/52/86/533395286.db2.gz ITKOMPIOWDFHQS-NEPJUHHUSA-N 2 1 211.353 0.670 10 0 BCAEMP Cc1ccc[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC000051040757 132359843 /nfs/dbraw/zinc/35/98/43/132359843.db2.gz QDGJORHKGKYCFB-JTQLQIEISA-N 2 1 207.277 0.554 10 0 BCAEMP [NH3+]Cc1ccc(N2CC[NH+](C3CC3)CC2)nn1 ZINC000051398181 132360305 /nfs/dbraw/zinc/36/03/05/132360305.db2.gz YEZQUMDXBDQBCK-UHFFFAOYSA-N 2 1 233.319 0.220 10 0 BCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000220122253 134301340 /nfs/dbraw/zinc/30/13/40/134301340.db2.gz GRZAHYYNAQCDOO-IJLUTSLNSA-N 2 1 241.379 0.688 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000178835985 134315542 /nfs/dbraw/zinc/31/55/42/134315542.db2.gz PNZKJLUVCNWHDG-LBPRGKRZSA-N 2 1 241.379 0.834 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261549311 135109183 /nfs/dbraw/zinc/10/91/83/135109183.db2.gz KJZKDFAWPUMZCG-GFCCVEGCSA-N 2 1 241.379 0.975 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000253195497 135124041 /nfs/dbraw/zinc/12/40/41/135124041.db2.gz QFPXZSZWQIAVIC-WOPDTQHZSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261545724 135150145 /nfs/dbraw/zinc/15/01/45/135150145.db2.gz KFDXJIKIGBWLPL-WOPDTQHZSA-N 2 1 212.337 0.689 10 0 BCAEMP C[N@@H+](CC1CC(O)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261541680 135181874 /nfs/dbraw/zinc/18/18/74/135181874.db2.gz GAWPHSNRDLVHAU-MCIGGMRASA-N 2 1 212.337 0.689 10 0 BCAEMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544685 135186160 /nfs/dbraw/zinc/18/61/60/135186160.db2.gz FEAZMQSRWHXDEH-WCFLWFBJSA-N 2 1 234.347 0.898 10 0 BCAEMP CCc1nc(NC[C@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000261548549 135187343 /nfs/dbraw/zinc/18/73/43/135187343.db2.gz JOYPNTMDBWRYTE-SNVBAGLBSA-N 2 1 236.319 0.748 10 0 BCAEMP Cn1cc(CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550228 135189140 /nfs/dbraw/zinc/18/91/40/135189140.db2.gz LANMXQHOQSIPSJ-XQQFMLRXSA-N 2 1 234.347 0.632 10 0 BCAEMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551256 135190123 /nfs/dbraw/zinc/19/01/23/135190123.db2.gz LXWDYMKWDRRRIU-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261551256 135190124 /nfs/dbraw/zinc/19/01/24/135190124.db2.gz LXWDYMKWDRRRIU-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261557541 135198136 /nfs/dbraw/zinc/19/81/36/135198136.db2.gz XJFXXGJMZSPKPE-IJLUTSLNSA-N 2 1 212.337 0.689 10 0 BCAEMP CN(C)c1nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc[nH+]1 ZINC000261569826 135212224 /nfs/dbraw/zinc/21/22/24/135212224.db2.gz KBKISVLNFSBBET-GHMZBOCLSA-N 2 1 247.346 0.731 10 0 BCAEMP Cn1cncc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261585183 135226361 /nfs/dbraw/zinc/22/63/61/135226361.db2.gz QHWOPCPFAKIOGV-ZMLRMANQSA-N 2 1 220.320 0.589 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cnn1C ZINC000261589102 135229818 /nfs/dbraw/zinc/22/98/18/135229818.db2.gz SYWBNCAGXJRNCJ-GFCCVEGCSA-N 2 1 222.336 0.899 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)cnn1C ZINC000261589102 135229820 /nfs/dbraw/zinc/22/98/20/135229820.db2.gz SYWBNCAGXJRNCJ-GFCCVEGCSA-N 2 1 222.336 0.899 10 0 BCAEMP NC[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261591772 135232787 /nfs/dbraw/zinc/23/27/87/135232787.db2.gz VPJFDIFFUSVZIA-LBPRGKRZSA-N 2 1 211.353 0.799 10 0 BCAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261591772 135232788 /nfs/dbraw/zinc/23/27/88/135232788.db2.gz VPJFDIFFUSVZIA-LBPRGKRZSA-N 3 1 211.353 0.799 10 0 BCAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261591772 135232789 /nfs/dbraw/zinc/23/27/89/135232789.db2.gz VPJFDIFFUSVZIA-LBPRGKRZSA-N 3 1 211.353 0.799 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261596145 135235712 /nfs/dbraw/zinc/23/57/12/135235712.db2.gz YNXGIQMLHPGWIZ-DCAQKATOSA-N 2 1 225.336 0.180 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261596145 135235713 /nfs/dbraw/zinc/23/57/13/135235713.db2.gz YNXGIQMLHPGWIZ-DCAQKATOSA-N 2 1 225.336 0.180 10 0 BCAEMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000261638355 135242645 /nfs/dbraw/zinc/24/26/45/135242645.db2.gz DBBFOCAQQUYQBK-GRYCIOLGSA-N 2 1 240.347 0.869 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC[NH2+]C1 ZINC000261712957 135247516 /nfs/dbraw/zinc/24/75/16/135247516.db2.gz DWLFDSKMNVTPJT-RVMXOQNASA-N 2 1 224.348 0.689 10 0 BCAEMP COCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000261790447 135253821 /nfs/dbraw/zinc/25/38/21/135253821.db2.gz GEBHWTQKLRJDGI-CHWSQXEVSA-N 2 1 242.363 0.723 10 0 BCAEMP COC(=O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261887174 135259648 /nfs/dbraw/zinc/25/96/48/135259648.db2.gz SDQKUAVJQIPMDX-YPMHNXCESA-N 2 1 240.347 0.871 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261919918 135262419 /nfs/dbraw/zinc/26/24/19/135262419.db2.gz YSKBTRXAVGQSMV-VXGBXAGGSA-N 2 1 241.379 0.912 10 0 BCAEMP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262113495 135279940 /nfs/dbraw/zinc/27/99/40/135279940.db2.gz KUOWPKMVNUYTBB-TZMCWYRMSA-N 2 1 249.358 0.423 10 0 BCAEMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000262143604 135281495 /nfs/dbraw/zinc/28/14/95/135281495.db2.gz PYZLNLAJWQRINO-AAEUAGOBSA-N 2 1 238.306 0.804 10 0 BCAEMP Cn1ccnc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262151593 135282259 /nfs/dbraw/zinc/28/22/59/135282259.db2.gz ZXVIXYJFJHCHPU-UHFFFAOYSA-N 2 1 234.347 0.996 10 0 BCAEMP Oc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263174469 135336966 /nfs/dbraw/zinc/33/69/66/135336966.db2.gz GARWVZBPYGMWOH-PWSUYJOCSA-N 2 1 222.288 0.062 10 0 BCAEMP Cc1ccc(F)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263230656 135341034 /nfs/dbraw/zinc/34/10/34/135341034.db2.gz NIALJYMRLHUUAO-YPMHNXCESA-N 2 1 238.306 0.804 10 0 BCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263274135 135343793 /nfs/dbraw/zinc/34/37/93/135343793.db2.gz IQBRROPBTJUIPO-GFCCVEGCSA-N 2 1 239.363 0.442 10 0 BCAEMP CC(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263312597 135345980 /nfs/dbraw/zinc/34/59/80/135345980.db2.gz YZHBQUIHZPGWES-VXGBXAGGSA-N 2 1 238.335 0.134 10 0 BCAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1C[NH2+]C1 ZINC000263331710 135347116 /nfs/dbraw/zinc/34/71/16/135347116.db2.gz VCGGZYHMPFKREF-GFCCVEGCSA-N 2 1 239.363 0.587 10 0 BCAEMP CC[N@H+](C)CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166119193 136075535 /nfs/dbraw/zinc/07/55/35/136075535.db2.gz VYYRMYUFFUCYNY-VXGBXAGGSA-N 2 1 229.368 0.295 10 0 BCAEMP CC[N@@H+](C)CCN[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166119193 136075536 /nfs/dbraw/zinc/07/55/36/136075536.db2.gz VYYRMYUFFUCYNY-VXGBXAGGSA-N 2 1 229.368 0.295 10 0 BCAEMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000257729151 397828577 /nfs/dbraw/zinc/82/85/77/397828577.db2.gz UVOKNFSUSABJTK-QWRGUYRKSA-N 2 1 225.336 0.278 10 0 BCAEMP CC[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000389214691 398050890 /nfs/dbraw/zinc/05/08/90/398050890.db2.gz CMAJTGCAMHDQQW-QWHCGFSZSA-N 2 1 241.379 0.127 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036781495 167058948 /nfs/dbraw/zinc/05/89/48/167058948.db2.gz BJJFANGMLXAJSD-NWDGAFQWSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036781495 167058951 /nfs/dbraw/zinc/05/89/51/167058951.db2.gz BJJFANGMLXAJSD-NWDGAFQWSA-N 2 1 241.379 0.831 10 0 BCAEMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238153 487562406 /nfs/dbraw/zinc/56/24/06/487562406.db2.gz AKLREDSGRMPJAL-NWDGAFQWSA-N 2 1 244.379 0.438 10 0 BCAEMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324238153 487562401 /nfs/dbraw/zinc/56/24/01/487562401.db2.gz AKLREDSGRMPJAL-NWDGAFQWSA-N 2 1 244.379 0.438 10 0 BCAEMP C([C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932587 487588463 /nfs/dbraw/zinc/58/84/63/487588463.db2.gz LZUOTGORXFQLBB-VXGBXAGGSA-N 2 1 209.337 0.376 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000662400999 487598523 /nfs/dbraw/zinc/59/85/23/487598523.db2.gz HOTUATCGEDLIFU-GHMZBOCLSA-N 2 1 227.352 0.585 10 0 BCAEMP CC(C)([NH3+])CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000070087630 410590528 /nfs/dbraw/zinc/59/05/28/410590528.db2.gz NOEXXXQZQZASFR-NSHDSACASA-N 2 1 239.363 0.811 10 0 BCAEMP CC(C)NC(=O)C[N@@H+](C)CCC[C@H]1CCC[NH2+]1 ZINC000052764527 167048705 /nfs/dbraw/zinc/04/87/05/167048705.db2.gz HEFIIMDTPQSXSC-GFCCVEGCSA-N 2 1 241.379 0.975 10 0 BCAEMP CC(C)NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020043053 167058924 /nfs/dbraw/zinc/05/89/24/167058924.db2.gz OSNGHXBDKHFXAD-UHFFFAOYSA-N 2 1 229.368 0.688 10 0 BCAEMP CC(C)[NH2+][C@@H](CC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000062449490 167132332 /nfs/dbraw/zinc/13/23/32/167132332.db2.gz QYZTWMDOIIMSRT-JQWIXIFHSA-N 2 1 241.379 0.959 10 0 BCAEMP CC(C)[NH2+][C@@H](CC[N@@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000062449490 167132333 /nfs/dbraw/zinc/13/23/33/167132333.db2.gz QYZTWMDOIIMSRT-JQWIXIFHSA-N 2 1 241.379 0.959 10 0 BCAEMP C[C@H]1CC[C@@H](O)C[N@H+]1CC1CC[NH2+]CC1 ZINC000398951578 411001671 /nfs/dbraw/zinc/00/16/71/411001671.db2.gz DRIUKSLEHTWQRN-CMPLNLGQSA-N 2 1 212.337 0.831 10 0 BCAEMP CO[C@H](C[NH2+]C1CC[NH+](CCO)CC1)C1CC1 ZINC000399039820 411228620 /nfs/dbraw/zinc/22/86/20/411228620.db2.gz QRWQNLPYMUTXDS-CYBMUJFWSA-N 2 1 242.363 0.458 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1C ZINC000658352918 411356804 /nfs/dbraw/zinc/35/68/04/411356804.db2.gz BYFRNULKXVIDHN-ZYGVAYEYSA-N 2 1 212.337 0.830 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)CC[N@H+]1C ZINC000658352918 411356807 /nfs/dbraw/zinc/35/68/07/411356807.db2.gz BYFRNULKXVIDHN-ZYGVAYEYSA-N 2 1 212.337 0.830 10 0 BCAEMP CN(C)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000062965807 411335183 /nfs/dbraw/zinc/33/51/83/411335183.db2.gz ROLFXWSDLCDFGH-GFCCVEGCSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000657352977 411474045 /nfs/dbraw/zinc/47/40/45/411474045.db2.gz XOYQYLLKZCTOGE-CHWSQXEVSA-N 2 1 242.363 0.600 10 0 BCAEMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000657352980 411474124 /nfs/dbraw/zinc/47/41/24/411474124.db2.gz XOYQYLLKZCTOGE-STQMWFEESA-N 2 1 242.363 0.600 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC2CC[NH2+]CC2)C1 ZINC000038041451 170007459 /nfs/dbraw/zinc/00/74/59/170007459.db2.gz OZBGYCILNZNQJM-NSHDSACASA-N 2 1 211.353 0.670 10 0 BCAEMP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000038041451 170007460 /nfs/dbraw/zinc/00/74/60/170007460.db2.gz OZBGYCILNZNQJM-NSHDSACASA-N 3 1 211.353 0.670 10 0 BCAEMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000038041451 170007461 /nfs/dbraw/zinc/00/74/61/170007461.db2.gz OZBGYCILNZNQJM-NSHDSACASA-N 3 1 211.353 0.670 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000246933184 170014938 /nfs/dbraw/zinc/01/49/38/170014938.db2.gz NRNQIYXRAOIHOW-IJLUTSLNSA-N 2 1 239.363 0.572 10 0 BCAEMP CC[N@H+]1CC[C@H](CNCCC[NH+](C)C)C1 ZINC000076458254 170015850 /nfs/dbraw/zinc/01/58/50/170015850.db2.gz FRULVPRIGMKPIZ-GFCCVEGCSA-N 2 1 213.369 0.870 10 0 BCAEMP CC[N@@H+]1CC[C@H](C[NH2+]CCC[NH+](C)C)C1 ZINC000076458254 170015851 /nfs/dbraw/zinc/01/58/51/170015851.db2.gz FRULVPRIGMKPIZ-GFCCVEGCSA-N 3 1 213.369 0.870 10 0 BCAEMP CC[N@H+]1CC[C@H](C[NH2+]CCC[NH+](C)C)C1 ZINC000076458254 170015852 /nfs/dbraw/zinc/01/58/52/170015852.db2.gz FRULVPRIGMKPIZ-GFCCVEGCSA-N 3 1 213.369 0.870 10 0 BCAEMP CC[NH2+]C1(CO)CC[NH+](C(C)C)CC1 ZINC000038120098 170108252 /nfs/dbraw/zinc/10/82/52/170108252.db2.gz XVBKYDORSCUIIA-UHFFFAOYSA-N 2 1 200.326 0.831 10 0 BCAEMP CC[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037869547 170108267 /nfs/dbraw/zinc/10/82/67/170108267.db2.gz WLTMFEISHZGCBC-SLHIUPAKSA-N 2 1 211.309 0.077 10 0 BCAEMP CC[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037869547 170108268 /nfs/dbraw/zinc/10/82/68/170108268.db2.gz WLTMFEISHZGCBC-SLHIUPAKSA-N 2 1 211.309 0.077 10 0 BCAEMP CC[NH2+]CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000061295342 170111736 /nfs/dbraw/zinc/11/17/36/170111736.db2.gz UEBOKZSEAWDJAJ-LLVKDONJSA-N 2 1 225.336 0.293 10 0 BCAEMP CC[NH2+]C[C@@H]1CC[C@H](CN2CC[NH+](C)CC2)O1 ZINC000052379516 170120955 /nfs/dbraw/zinc/12/09/55/170120955.db2.gz BIYXDDMXMANTNY-QWHCGFSZSA-N 2 1 241.379 0.391 10 0 BCAEMP CC[NH2+]C[C@]1(C[N@@H+](C)[C@@H](C)COC)CCOC1 ZINC000051251431 170123579 /nfs/dbraw/zinc/12/35/79/170123579.db2.gz DXNGPXIYTTWSDD-STQMWFEESA-N 2 1 244.379 0.969 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)N1CC[NH+](C)CC1 ZINC000061268695 170139498 /nfs/dbraw/zinc/13/94/98/170139498.db2.gz VKPSNGCSGSACTL-JTQLQIEISA-N 2 1 213.325 0.149 10 0 BCAEMP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](CC)C2)C1=O ZINC000049648803 170151638 /nfs/dbraw/zinc/15/16/38/170151638.db2.gz YSFXLYPCHYUQNG-VXGBXAGGSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[NH2+][C@@H]1CCN(C[C@H]2CC[N@@H+](CC)C2)C1=O ZINC000049648805 170151698 /nfs/dbraw/zinc/15/16/98/170151698.db2.gz YSFXLYPCHYUQNG-NWDGAFQWSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@H]2CCC[N@@H+](CC)C2)C1=O ZINC000049649196 170152890 /nfs/dbraw/zinc/15/28/90/170152890.db2.gz JJPRQPAQEHAEGV-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000061274360 170156790 /nfs/dbraw/zinc/15/67/90/170156790.db2.gz APWXAVIZYXHQER-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189538 170157192 /nfs/dbraw/zinc/15/71/92/170157192.db2.gz HIKGMUSMJYZZND-NEPJUHHUSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC000049648816 170167907 /nfs/dbraw/zinc/16/79/07/170167907.db2.gz OMGHGCVJJREQCS-MNOVXSKESA-N 2 1 225.336 0.149 10 0 BCAEMP c1cc2c(nc[nH+]c2NC[C@H]2CC[NH2+]C2)[nH]1 ZINC000643025344 411702454 /nfs/dbraw/zinc/70/24/54/411702454.db2.gz 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/nfs/dbraw/zinc/19/09/39/412190939.db2.gz AMSUUHUGLQHQMG-NWDGAFQWSA-N 2 1 241.379 0.927 10 0 BCAEMP C[NH2+]C[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000663278386 412407697 /nfs/dbraw/zinc/40/76/97/412407697.db2.gz HNLGCJVZEHVADZ-QMMMGPOBSA-N 2 1 209.297 0.562 10 0 BCAEMP CCc1nn(C)cc1[C@@H]1[C@H](C[NH3+])CC[N@H+]1C ZINC000083040061 172044282 /nfs/dbraw/zinc/04/42/82/172044282.db2.gz JWTQRFVPBQQKOK-CABZTGNLSA-N 2 1 222.336 0.934 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CCN1CC[C@H]([NH3+])C1 ZINC000050243707 173007616 /nfs/dbraw/zinc/00/76/16/173007616.db2.gz SFHWSJOVHRZKJV-RYUDHWBXSA-N 2 1 211.353 0.894 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CNC1CC[NH2+]CC1 ZINC000044560641 173010303 /nfs/dbraw/zinc/01/03/03/173010303.db2.gz XDWZUNRQQOAGMO-LBPRGKRZSA-N 2 1 211.353 0.812 10 0 BCAEMP CN1CCCC[C@H]1C[NH2+]C1CC[NH2+]CC1 ZINC000044560641 173010305 /nfs/dbraw/zinc/01/03/05/173010305.db2.gz XDWZUNRQQOAGMO-LBPRGKRZSA-N 2 1 211.353 0.812 10 0 BCAEMP C[N@H+]1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000037478853 173012448 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/nfs/dbraw/zinc/04/17/10/173041710.db2.gz MSXLQEDRBUKCOB-LLVKDONJSA-N 2 1 211.353 0.670 10 0 BCAEMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000044532520 173041712 /nfs/dbraw/zinc/04/17/12/173041712.db2.gz MSXLQEDRBUKCOB-LLVKDONJSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000044532520 173041715 /nfs/dbraw/zinc/04/17/15/173041715.db2.gz MSXLQEDRBUKCOB-LLVKDONJSA-N 3 1 211.353 0.670 10 0 BCAEMP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245629 173043318 /nfs/dbraw/zinc/04/33/18/173043318.db2.gz DBJHDWKNFYTMBZ-QWRGUYRKSA-N 2 1 225.336 0.291 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291126 173044150 /nfs/dbraw/zinc/04/41/50/173044150.db2.gz MMGHLOMIDDJUKY-RYUDHWBXSA-N 2 1 239.363 0.587 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@@H](C[NH3+])CC2CC2)CC1 ZINC000051690929 173069112 /nfs/dbraw/zinc/06/91/12/173069112.db2.gz SLXAZKWXKPFABO-LLVKDONJSA-N 2 1 225.336 0.135 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055085913 173069181 /nfs/dbraw/zinc/06/91/81/173069181.db2.gz FOUUSIWQWHGEGE-GHMZBOCLSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@H+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000104129839 173070623 /nfs/dbraw/zinc/07/06/23/173070623.db2.gz KHDDOMLLCOJTLJ-ZDUSSCGKSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@@H+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000104129839 173070621 /nfs/dbraw/zinc/07/06/21/173070621.db2.gz KHDDOMLLCOJTLJ-ZDUSSCGKSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CCN(C[C@]2(C[NH3+])CCOC2)CC1(C)C ZINC000104140243 173085511 /nfs/dbraw/zinc/08/55/11/173085511.db2.gz VABFCWRHKYPQME-CYBMUJFWSA-N 2 1 241.379 0.378 10 0 BCAEMP CN1CC[N@H+](C[C@]2(C[NH3+])CCOC2)CC1(C)C ZINC000104140243 173085512 /nfs/dbraw/zinc/08/55/12/173085512.db2.gz VABFCWRHKYPQME-CYBMUJFWSA-N 2 1 241.379 0.378 10 0 BCAEMP CN1CC[N@@H+](C[C@]2(C[NH3+])CCOC2)CC1(C)C ZINC000104140243 173085515 /nfs/dbraw/zinc/08/55/15/173085515.db2.gz VABFCWRHKYPQME-CYBMUJFWSA-N 2 1 241.379 0.378 10 0 BCAEMP C[N@@H+]1CC[C@@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353647 173115240 /nfs/dbraw/zinc/11/52/40/173115240.db2.gz DVOONZXAQMASAC-NLTNOIMHSA-N 2 1 230.377 0.439 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353647 173115241 /nfs/dbraw/zinc/11/52/41/173115241.db2.gz DVOONZXAQMASAC-NLTNOIMHSA-N 2 1 230.377 0.439 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CCCC2)C1 ZINC000042549085 173122569 /nfs/dbraw/zinc/12/25/69/173122569.db2.gz LAUAWQDLZQEWTK-LLVKDONJSA-N 2 1 225.336 0.339 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000042549005 173122838 /nfs/dbraw/zinc/12/28/38/173122838.db2.gz DMAVTOSTYANINQ-CHWSQXEVSA-N 2 1 247.342 0.377 10 0 BCAEMP CN(Cc1ccoc1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990452 173134896 /nfs/dbraw/zinc/13/48/96/173134896.db2.gz QVCGFYLKZVOFLI-LBPRGKRZSA-N 2 1 223.320 0.744 10 0 BCAEMP CN(C1CCCC1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990178 173137097 /nfs/dbraw/zinc/13/70/97/173137097.db2.gz GTVBZKBSICTFDH-LBPRGKRZSA-N 2 1 211.353 0.894 10 0 BCAEMP CN(C1CCCC1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990178 173137098 /nfs/dbraw/zinc/13/70/98/173137098.db2.gz GTVBZKBSICTFDH-LBPRGKRZSA-N 2 1 211.353 0.894 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250647437 173145602 /nfs/dbraw/zinc/14/56/02/173145602.db2.gz VTSAXJRITXTPEV-OUAUKWLOSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C2CCC([NH3+])CC2)C1 ZINC000042549076 173150596 /nfs/dbraw/zinc/15/05/96/173150596.db2.gz QGHIIJVOTFPRAH-ILDUYXDCSA-N 2 1 225.336 0.324 10 0 BCAEMP CNC(=O)C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020047934 173277085 /nfs/dbraw/zinc/27/70/85/173277085.db2.gz QNDNXAVEHTYFFL-NSHDSACASA-N 2 1 227.352 0.587 10 0 BCAEMP CNC(=O)C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020047934 173277086 /nfs/dbraw/zinc/27/70/86/173277086.db2.gz QNDNXAVEHTYFFL-NSHDSACASA-N 2 1 227.352 0.587 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000042391577 173306898 /nfs/dbraw/zinc/30/68/98/173306898.db2.gz SKVYTULOQNGLCP-CYBMUJFWSA-N 2 1 247.342 0.856 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061300863 173318381 /nfs/dbraw/zinc/31/83/81/173318381.db2.gz GXWSLIRNPYJSFU-WDEREUQCSA-N 2 1 239.363 0.727 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000061300534 173318533 /nfs/dbraw/zinc/31/85/33/173318533.db2.gz IMJYEYVBUHAZFT-UHFFFAOYSA-N 2 1 227.352 0.537 10 0 BCAEMP C[NH2+]CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000040805729 173330191 /nfs/dbraw/zinc/33/01/91/173330191.db2.gz HYKOXBNBYMSZQY-SECBINFHSA-N 2 1 225.292 0.218 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000019864003 173365144 /nfs/dbraw/zinc/36/51/44/173365144.db2.gz BWMLPYLXZUKYTN-OUAUKWLOSA-N 2 1 200.326 0.545 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@@H](CN2CC[NH+](C)CC2)O1 ZINC000052379512 173371604 /nfs/dbraw/zinc/37/16/04/173371604.db2.gz MCBKJUVMDVHBDI-RYUDHWBXSA-N 2 1 227.352 0.001 10 0 BCAEMP C[NH2+]C[C@H](C)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973985 173375746 /nfs/dbraw/zinc/37/57/46/173375746.db2.gz 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205.305 0.550 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)CC[NH2+]1 ZINC000757228458 586442591 /nfs/dbraw/zinc/44/25/91/586442591.db2.gz CTHXHCKISWDWSK-KKOKHZNYSA-N 3 1 211.353 0.701 10 0 BCAEMP C[C@@H]1C[C@H]([C@H]2[NH2+]C[C@@H](C)C[C@@H]2N)CC[NH2+]1 ZINC000757234619 586443077 /nfs/dbraw/zinc/44/30/77/586443077.db2.gz KRVFVTLXTFSUMA-MTVMDMGHSA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)CC[NH2+]1 ZINC000757234498 586443185 /nfs/dbraw/zinc/44/31/85/586443185.db2.gz KOJUSOPQKKSVLO-DDHJBXDOSA-N 3 1 211.353 0.701 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2[NH2+]CC[C@@H](C)[C@H]2N)CC[NH2+]1 ZINC000757231179 586443331 /nfs/dbraw/zinc/44/33/31/586443331.db2.gz GMGCMCIHFSDBFI-OOCWMUITSA-N 2 1 211.353 0.700 10 0 BCAEMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000302641476 592549962 /nfs/dbraw/zinc/54/99/62/592549962.db2.gz FZVWFYCIAZXCAJ-NEPJUHHUSA-N 2 1 237.347 0.420 10 0 BCAEMP [NH3+][C@@H](CC1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000302641478 592550513 /nfs/dbraw/zinc/55/05/13/592550513.db2.gz FZVWFYCIAZXCAJ-RYUDHWBXSA-N 2 1 237.347 0.420 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000226329355 635432050 /nfs/dbraw/zinc/43/20/50/635432050.db2.gz GAGWNAZZAJXHJW-STQMWFEESA-N 2 1 244.379 0.833 10 0 BCAEMP CC[NH2+][C@@](C)(Cn1cc[nH+]c1CC)C(N)=O ZINC000045460599 631837779 /nfs/dbraw/zinc/83/77/79/631837779.db2.gz KVIDPTISQWGXIA-NSHDSACASA-N 2 1 224.308 0.299 10 0 BCAEMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309324028 632003393 /nfs/dbraw/zinc/00/33/93/632003393.db2.gz HQBLLLCPNMVHSQ-QCNOEVLYSA-N 2 1 228.336 0.053 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310375212 635764791 /nfs/dbraw/zinc/76/47/91/635764791.db2.gz ZLUFMNGAYBAYOT-XQQFMLRXSA-N 2 1 242.363 0.456 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000310375212 635764794 /nfs/dbraw/zinc/76/47/94/635764794.db2.gz ZLUFMNGAYBAYOT-XQQFMLRXSA-N 2 1 242.363 0.456 10 0 BCAEMP COC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000168807970 632502096 /nfs/dbraw/zinc/50/20/96/632502096.db2.gz QBYRXJNONYNHRI-GHMZBOCLSA-N 2 1 216.325 0.068 10 0 BCAEMP CCC[NH2+][C@H](Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928172 632765099 /nfs/dbraw/zinc/76/50/99/632765099.db2.gz LHKXURKKEUDVTE-SNVBAGLBSA-N 2 1 224.308 0.353 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803364 632928630 /nfs/dbraw/zinc/92/86/30/632928630.db2.gz ARRVTXZJZAPTPU-WDEREUQCSA-N 2 1 227.352 0.570 10 0 BCAEMP C[N@H+](C[C@@H]1CCCO1)C1(C[NH3+])CCOCC1 ZINC000042463523 637263996 /nfs/dbraw/zinc/26/39/96/637263996.db2.gz ZVPQSGZSZOVDSG-NSHDSACASA-N 2 1 228.336 0.605 10 0 BCAEMP C[N@@H+](C[C@@H]1CCCO1)C1(C[NH3+])CCOCC1 ZINC000042463523 637264000 /nfs/dbraw/zinc/26/40/00/637264000.db2.gz ZVPQSGZSZOVDSG-NSHDSACASA-N 2 1 228.336 0.605 10 0 BCAEMP C([C@H]1CCCO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994485 640441845 /nfs/dbraw/zinc/44/18/45/640441845.db2.gz YMZQYZGJDWVYSN-VXGBXAGGSA-N 2 1 210.321 0.851 10 0 BCAEMP CC[NH2+][C@@](C)(CCn1cc[nH+]c1C)C(N)=O ZINC000045433124 640557971 /nfs/dbraw/zinc/55/79/71/640557971.db2.gz MTIQUSIQNJAJKO-NSHDSACASA-N 2 1 224.308 0.435 10 0 BCAEMP CCOC(=O)[C@@](C)([NH3+])CCn1cc[nH+]c1C ZINC000045433085 640558072 /nfs/dbraw/zinc/55/80/72/640558072.db2.gz RDLNLPDUDWZQSH-NSHDSACASA-N 2 1 225.292 0.862 10 0 BCAEMP CCc1[nH+]ccn1CC[C@](C)([NH2+]C)C(N)=O ZINC000045460680 640567263 /nfs/dbraw/zinc/56/72/63/640567263.db2.gz FUSZVZVHQIZUHA-NSHDSACASA-N 2 1 224.308 0.299 10 0 BCAEMP CCc1[nH+]ccn1CCC[C@@](C)([NH3+])C(N)=O ZINC000045460323 640567331 /nfs/dbraw/zinc/56/73/31/640567331.db2.gz NUTUKDYOPHDDTG-LLVKDONJSA-N 2 1 224.308 0.428 10 0 BCAEMP CCOC[C@@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226467101 640767362 /nfs/dbraw/zinc/76/73/62/640767362.db2.gz WDDKOBYVBXNXCR-NEPJUHHUSA-N 2 1 230.352 0.458 10 0 BCAEMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000226758040 640792250 /nfs/dbraw/zinc/79/22/50/640792250.db2.gz DQIBSGDGGDGIJM-JTQLQIEISA-N 2 1 228.340 0.229 10 0 BCAEMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000226758040 640792257 /nfs/dbraw/zinc/79/22/57/640792257.db2.gz DQIBSGDGGDGIJM-JTQLQIEISA-N 2 1 228.340 0.229 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227074904 640815430 /nfs/dbraw/zinc/81/54/30/640815430.db2.gz QHRBJXSDGKURHV-QJPTWQEYSA-N 2 1 230.352 0.441 10 0 BCAEMP CCCCOC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC000227911541 640853492 /nfs/dbraw/zinc/85/34/92/640853492.db2.gz XAELTYVEGMJYRJ-NSHDSACASA-N 2 1 218.341 0.445 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228536255 640879947 /nfs/dbraw/zinc/87/99/47/640879947.db2.gz BBPIKBRIIUXGFV-VXGBXAGGSA-N 2 1 239.363 0.714 10 0 BCAEMP COc1c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(C)nn1C ZINC000158493251 641638380 /nfs/dbraw/zinc/63/83/80/641638380.db2.gz PZFOXZZGBPBFLQ-JTQLQIEISA-N 2 1 238.335 0.518 10 0 BCAEMP COc1c(C[N@H+]2CC[C@@H](C[NH3+])C2)c(C)nn1C ZINC000158493251 641638385 /nfs/dbraw/zinc/63/83/85/641638385.db2.gz PZFOXZZGBPBFLQ-JTQLQIEISA-N 2 1 238.335 0.518 10 0 BCAEMP CN(C)c1nc(NCC2([NH3+])CCC2)cc[nH+]1 ZINC000234273532 643486931 /nfs/dbraw/zinc/48/69/31/643486931.db2.gz XPKUOFZCIBQTNG-UHFFFAOYSA-N 2 1 221.308 0.836 10 0 BCAEMP C[NH2+][C@@]1(C(N)=O)CC[C@H](n2cc[nH+]c2C)C1 ZINC000086626652 643636252 /nfs/dbraw/zinc/63/62/52/643636252.db2.gz ORSUYEPSJKXSIW-ONGXEEELSA-N 2 1 222.292 0.360 10 0 BCAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@]([NH3+])(C(N)=O)C1 ZINC000086604653 644155510 /nfs/dbraw/zinc/15/55/10/644155510.db2.gz SXOBAOBNFRRTPN-MWLCHTKSSA-N 2 1 222.292 0.489 10 0 BCAEMP CC[NH2+]CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000094446957 644718744 /nfs/dbraw/zinc/71/87/44/644718744.db2.gz RHHUJUOGCGZBED-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250581330 644766383 /nfs/dbraw/zinc/76/63/83/644766383.db2.gz JMILMWISPAMRHD-YNEHKIRRSA-N 2 1 244.379 0.974 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250581330 644766388 /nfs/dbraw/zinc/76/63/88/644766388.db2.gz JMILMWISPAMRHD-YNEHKIRRSA-N 2 1 244.379 0.974 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000251839488 644826832 /nfs/dbraw/zinc/82/68/32/644826832.db2.gz QHRBJXSDGKURHV-TUAOUCFPSA-N 2 1 230.352 0.441 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723711672 711535252 /nfs/dbraw/zinc/53/52/52/711535252.db2.gz FICJSTCYJARBCV-NWDGAFQWSA-N 2 1 230.352 0.443 10 0 BCAEMP Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000708863037 712201359 /nfs/dbraw/zinc/20/13/59/712201359.db2.gz SMUQBAASSMUHLO-KOLCDFICSA-N 2 1 220.320 0.812 10 0 BCAEMP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000708863037 712201361 /nfs/dbraw/zinc/20/13/61/712201361.db2.gz SMUQBAASSMUHLO-KOLCDFICSA-N 2 1 220.320 0.812 10 0 BCAEMP COCC1CC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000714008925 712477554 /nfs/dbraw/zinc/47/75/54/712477554.db2.gz USLWOHHYHWXZGE-XIVSLSHWSA-N 2 1 242.363 0.456 10 0 BCAEMP COCC1CC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000714008925 712477556 /nfs/dbraw/zinc/47/75/56/712477556.db2.gz USLWOHHYHWXZGE-XIVSLSHWSA-N 2 1 242.363 0.456 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720905306 712876565 /nfs/dbraw/zinc/87/65/65/712876565.db2.gz ZGWIJQZXEMGTNN-QJPTWQEYSA-N 2 1 239.363 0.809 10 0 BCAEMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000723962457 711548262 /nfs/dbraw/zinc/54/82/62/711548262.db2.gz HVVSRFYOVMPUOZ-SDDRHHMPSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000723962457 711548263 /nfs/dbraw/zinc/54/82/63/711548263.db2.gz HVVSRFYOVMPUOZ-SDDRHHMPSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cn(C)nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000723962462 711548359 /nfs/dbraw/zinc/54/83/59/711548359.db2.gz HVVSRFYOVMPUOZ-SRVKXCTJSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cn(C)nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000723962462 711548360 /nfs/dbraw/zinc/54/83/60/711548360.db2.gz HVVSRFYOVMPUOZ-SRVKXCTJSA-N 2 1 234.347 0.898 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@@H]1C[NH3+] ZINC000724596767 711596378 /nfs/dbraw/zinc/59/63/78/711596378.db2.gz XMQJQPDCHARBPF-NAWOPXAZSA-N 2 1 240.347 0.317 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@@H]3CCOC3)C[C@@H]12 ZINC000724919769 711628060 /nfs/dbraw/zinc/62/80/60/711628060.db2.gz AGYOJVPDEKJSGF-FDYHWXHSSA-N 2 1 240.347 0.461 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708893248 712202438 /nfs/dbraw/zinc/20/24/38/712202438.db2.gz JNNKIZSLIPNYKR-GRYCIOLGSA-N 2 1 230.352 0.299 10 0 BCAEMP CC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708919374 712203186 /nfs/dbraw/zinc/20/31/86/712203186.db2.gz TWNSELITXRNOEA-GARJFASQSA-N 2 1 216.325 0.195 10 0 BCAEMP CC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000708919374 712203190 /nfs/dbraw/zinc/20/31/90/712203190.db2.gz TWNSELITXRNOEA-GARJFASQSA-N 2 1 216.325 0.195 10 0 BCAEMP CC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708919375 712203588 /nfs/dbraw/zinc/20/35/88/712203588.db2.gz TWNSELITXRNOEA-HBNTYKKESA-N 2 1 216.325 0.195 10 0 BCAEMP CC[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000708919375 712203589 /nfs/dbraw/zinc/20/35/89/712203589.db2.gz TWNSELITXRNOEA-HBNTYKKESA-N 2 1 216.325 0.195 10 0 BCAEMP OCC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000379565510 712388342 /nfs/dbraw/zinc/38/83/42/712388342.db2.gz GADSBJBXRYINGG-QWHCGFSZSA-N 2 1 242.363 0.147 10 0 BCAEMP NC(=O)C1CC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000716721216 712570667 /nfs/dbraw/zinc/57/06/67/712570667.db2.gz AIYVHAQDHMZJAR-CZPQBJFPSA-N 2 1 245.326 0.985 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720897547 712876529 /nfs/dbraw/zinc/87/65/29/712876529.db2.gz HTKCPCDZEOIPMH-MXWKQRLJSA-N 2 1 225.336 0.289 10 0 BCAEMP CN(CC1CC[NH+](C)CC1)c1cc[nH+]c(N)n1 ZINC000133253948 721936014 /nfs/dbraw/zinc/93/60/14/721936014.db2.gz XAFYAVNKTYYHJD-UHFFFAOYSA-N 2 1 235.335 0.837 10 0 BCAEMP C[NH+](C)CC1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000131335690 721948399 /nfs/dbraw/zinc/94/83/99/721948399.db2.gz WLESTVHTTXHKAH-UHFFFAOYSA-N 2 1 235.335 0.837 10 0 BCAEMP C[NH2+]CC(F)(F)CO[C@@H]1CC[N@H+](C)C1 ZINC000685956941 538899942 /nfs/dbraw/zinc/89/99/42/538899942.db2.gz MYLJIDSTIHRJOB-MRVPVSSYSA-N 2 1 208.252 0.562 10 0 BCAEMP C[NH2+]CC(F)(F)CO[C@@H]1CC[N@@H+](C)C1 ZINC000685956941 538899944 /nfs/dbraw/zinc/89/99/44/538899944.db2.gz MYLJIDSTIHRJOB-MRVPVSSYSA-N 2 1 208.252 0.562 10 0 BCAEMP CN(CC1C[NH+](C)C1)CC(F)(F)C[NH3+] ZINC000685956271 538902219 /nfs/dbraw/zinc/90/22/19/538902219.db2.gz BGGAOWVVOIRABF-UHFFFAOYSA-N 2 1 207.268 0.074 10 0 BCAEMP CCC(CC)(CO)[N@H+]1CCC[NH2+]CC1 ZINC000038117301 168327859 /nfs/dbraw/zinc/32/78/59/168327859.db2.gz HCJRQTQQEAVVEZ-UHFFFAOYSA-N 2 1 200.326 0.833 10 0 BCAEMP Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)nc(C)[nH+]1 ZINC000235669951 178122517 /nfs/dbraw/zinc/12/25/17/178122517.db2.gz CBDPLINTLLMZGP-XVKPBYJWSA-N 2 1 206.293 0.877 10 0 BCAEMP Cc1cc(NCCCN2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000037756878 178160152 /nfs/dbraw/zinc/16/01/52/178160152.db2.gz FUATVWSBDPJZAA-UHFFFAOYSA-N 2 1 249.362 0.801 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000381074186 398222809 /nfs/dbraw/zinc/22/28/09/398222809.db2.gz PIAJMDABCUFGRN-TUAOUCFPSA-N 2 1 230.352 0.456 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000381074186 398222812 /nfs/dbraw/zinc/22/28/12/398222812.db2.gz PIAJMDABCUFGRN-TUAOUCFPSA-N 2 1 230.352 0.456 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000576412353 365591625 /nfs/dbraw/zinc/59/16/25/365591625.db2.gz NFSVNWPGNMVWFJ-GHMZBOCLSA-N 2 1 227.352 0.395 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCC[NH2+]C ZINC000092630180 398235534 /nfs/dbraw/zinc/23/55/34/398235534.db2.gz OFKJBAPCYZMZPV-GFCCVEGCSA-N 2 1 241.379 0.929 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)C[NH3+] ZINC000092626319 398235987 /nfs/dbraw/zinc/23/59/87/398235987.db2.gz ISCSGFIQSYVFQL-NSHDSACASA-N 2 1 241.379 0.914 10 0 BCAEMP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000645434671 398261978 /nfs/dbraw/zinc/26/19/78/398261978.db2.gz RBGYUPDCOCYSQJ-NSHDSACASA-N 2 1 244.379 0.846 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]12 ZINC000381555680 398263224 /nfs/dbraw/zinc/26/32/24/398263224.db2.gz OMXRGFUWHXJHKY-DDHJBXDOSA-N 3 1 209.337 0.265 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@@H]12 ZINC000381555680 398263227 /nfs/dbraw/zinc/26/32/27/398263227.db2.gz OMXRGFUWHXJHKY-DDHJBXDOSA-N 2 1 209.337 0.265 10 0 BCAEMP [NH3+]Cc1noc(C[C@H]2CCC[NH2+]CC2)n1 ZINC000309593479 342729164 /nfs/dbraw/zinc/72/91/64/342729164.db2.gz HOUUQWCBEUPIQX-QMMMGPOBSA-N 2 1 210.281 0.461 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381201006 538996211 /nfs/dbraw/zinc/99/62/11/538996211.db2.gz FINXDGAQCBUJQM-DCAQKATOSA-N 2 1 221.304 0.965 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000235291461 343000821 /nfs/dbraw/zinc/00/08/21/343000821.db2.gz IIOFOQJYNZOMLM-IJLUTSLNSA-N 2 1 239.363 0.300 10 0 BCAEMP CC(C)[N@H+]1CC[C@]2(C1)OC[C@H](C[NH3+])O2 ZINC000134991820 343352182 /nfs/dbraw/zinc/35/21/82/343352182.db2.gz HBPBZNLTLXSLIJ-UWVGGRQHSA-N 2 1 200.282 0.171 10 0 BCAEMP COC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000379800921 343629137 /nfs/dbraw/zinc/62/91/37/343629137.db2.gz MEHMSFDINSWKKK-ZJUUUORDSA-N 2 1 212.293 0.233 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000379800921 343629138 /nfs/dbraw/zinc/62/91/38/343629138.db2.gz MEHMSFDINSWKKK-ZJUUUORDSA-N 2 1 212.293 0.233 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397298991 537823784 /nfs/dbraw/zinc/82/37/84/537823784.db2.gz CNOQDEPHGJGAKT-AXFHLTTASA-N 2 1 228.336 0.855 10 0 BCAEMP COC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746943 344368808 /nfs/dbraw/zinc/36/88/08/344368808.db2.gz UWBCYQGYSVWUBI-TXEJJXNPSA-N 2 1 226.320 0.481 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746943 344368809 /nfs/dbraw/zinc/36/88/09/344368809.db2.gz UWBCYQGYSVWUBI-TXEJJXNPSA-N 2 1 226.320 0.481 10 0 BCAEMP Cc1cn(CC[C@](C)([NH3+])C(N)=O)c(C)[nH+]1 ZINC000715151038 537865355 /nfs/dbraw/zinc/86/53/55/537865355.db2.gz MVUHAJLDNDJLDG-JTQLQIEISA-N 2 1 210.281 0.093 10 0 BCAEMP Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999555 345200286 /nfs/dbraw/zinc/20/02/86/345200286.db2.gz WCJVOCGKHDEBHF-SCZZXKLOSA-N 2 1 208.309 0.745 10 0 BCAEMP Cc1c[nH]nc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999720 345200303 /nfs/dbraw/zinc/20/03/03/345200303.db2.gz YHNKYDXKAGQLTG-ZJUUUORDSA-N 2 1 208.309 0.745 10 0 BCAEMP Cc1c[nH]nc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999720 345200305 /nfs/dbraw/zinc/20/03/05/345200305.db2.gz YHNKYDXKAGQLTG-ZJUUUORDSA-N 2 1 208.309 0.745 10 0 BCAEMP Cc1c[nH]nc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999718 345200451 /nfs/dbraw/zinc/20/04/51/345200451.db2.gz YHNKYDXKAGQLTG-UWVGGRQHSA-N 2 1 208.309 0.745 10 0 BCAEMP Cc1c[nH]nc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999718 345200458 /nfs/dbraw/zinc/20/04/58/345200458.db2.gz YHNKYDXKAGQLTG-UWVGGRQHSA-N 2 1 208.309 0.745 10 0 BCAEMP CCn1nccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999824 345201154 /nfs/dbraw/zinc/20/11/54/345201154.db2.gz ZXUUCMSGIDYDQO-WDEREUQCSA-N 2 1 222.336 0.930 10 0 BCAEMP CCn1nccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999824 345201157 /nfs/dbraw/zinc/20/11/57/345201157.db2.gz ZXUUCMSGIDYDQO-WDEREUQCSA-N 2 1 222.336 0.930 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000248489327 345403713 /nfs/dbraw/zinc/40/37/13/345403713.db2.gz MVTGNCMHQOYDFT-DCAQKATOSA-N 2 1 227.352 0.570 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000380013798 365805220 /nfs/dbraw/zinc/80/52/20/365805220.db2.gz MOUIEFLNJINTGC-LLVKDONJSA-N 2 1 212.293 0.235 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000069733712 349956289 /nfs/dbraw/zinc/95/62/89/349956289.db2.gz BYKAPLJAIKVORI-NSHDSACASA-N 2 1 227.352 0.716 10 0 BCAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CNC[C@@H](C[NH3+])C2)C1 ZINC000669379168 537974398 /nfs/dbraw/zinc/97/43/98/537974398.db2.gz VIQATLCVBCOVMM-UPJWGTAASA-N 2 1 225.380 0.903 10 0 BCAEMP C[C@@H]1CCC[N@@H+](C[C@H]2CNC[C@@H](C[NH3+])C2)C1 ZINC000669379167 537975394 /nfs/dbraw/zinc/97/53/94/537975394.db2.gz VIQATLCVBCOVMM-JHJVBQTASA-N 2 1 225.380 0.903 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000725241440 537979676 /nfs/dbraw/zinc/97/96/76/537979676.db2.gz FLHQBORWELORDF-AGIUHOORSA-N 2 1 223.364 0.907 10 0 BCAEMP C1[C@@H](N2CC[NH2+]CC2)C[N@H+]2CCCC[C@H]12 ZINC000725241786 537980390 /nfs/dbraw/zinc/98/03/90/537980390.db2.gz PQORNCNWLQDALH-VXGBXAGGSA-N 2 1 209.337 0.518 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](CC1CC1)CC[C@@H]2O ZINC000725246218 538006210 /nfs/dbraw/zinc/00/62/10/538006210.db2.gz RKNNVQXQMNJFJY-WXHSDQCUSA-N 2 1 224.348 0.689 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@]12C[N@H+](C1CC1)CC[C@H]2O ZINC000725246348 538006477 /nfs/dbraw/zinc/00/64/77/538006477.db2.gz UWFIATHGHAOWCT-JLLWLGSASA-N 2 1 210.321 0.441 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000246387984 349097148 /nfs/dbraw/zinc/09/71/48/349097148.db2.gz BWHSRGOLFAIYFI-PWSUYJOCSA-N 2 1 237.347 0.434 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCC[NH3+] ZINC000251647587 349189255 /nfs/dbraw/zinc/18/92/55/349189255.db2.gz GFPVRBVFMHPOGP-NEPJUHHUSA-N 2 1 239.363 0.811 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000219924027 350150011 /nfs/dbraw/zinc/15/00/11/350150011.db2.gz QWJNELIXHNKEHC-ZYHUDNBSSA-N 2 1 239.363 0.442 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000381001955 350223952 /nfs/dbraw/zinc/22/39/52/350223952.db2.gz OYBQLLFMFJFKPO-LLVKDONJSA-N 2 1 230.352 0.194 10 0 BCAEMP Cc1nccn1CC[N@@H+](CCC(N)=[NH2+])C1CC1 ZINC000042548227 180250146 /nfs/dbraw/zinc/25/01/46/180250146.db2.gz LZIYCPLGCGHCTJ-UHFFFAOYSA-N 2 1 235.335 0.982 10 0 BCAEMP Cc1[nH+]ccn1[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000019256829 180271891 /nfs/dbraw/zinc/27/18/91/180271891.db2.gz YXISUKMQVJGIAG-QWRGUYRKSA-N 2 1 237.303 0.987 10 0 BCAEMP Cc1[nH+]cn(CC[C@@](C)([NH3+])C(N)=O)c1C ZINC000051928282 180286754 /nfs/dbraw/zinc/28/67/54/180286754.db2.gz XWLZPZZBHFOYNC-SNVBAGLBSA-N 2 1 210.281 0.093 10 0 BCAEMP Cc1nn(C)cc1[C@H]1[C@@H](C[NH3+])CC[N@H+]1C ZINC000082946474 180382347 /nfs/dbraw/zinc/38/23/47/180382347.db2.gz OUZLXPPOTDQXKL-MWLCHTKSSA-N 2 1 208.309 0.680 10 0 BCAEMP C[C@]1(CO)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000309514410 350694570 /nfs/dbraw/zinc/69/45/70/350694570.db2.gz QTPJVDGGFMXYLC-NWDGAFQWSA-N 2 1 212.337 0.833 10 0 BCAEMP C[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000309514409 350694706 /nfs/dbraw/zinc/69/47/06/350694706.db2.gz QTPJVDGGFMXYLC-NEPJUHHUSA-N 2 1 212.337 0.833 10 0 BCAEMP C[C@@H]1C[C@@]2(C[NH+]=C(N)N2)C[N@H+]1Cc1ccccc1 ZINC000306683441 350840236 /nfs/dbraw/zinc/84/02/36/350840236.db2.gz VRTMMCZICQESTN-BXUZGUMPSA-N 2 1 244.342 0.938 10 0 BCAEMP C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C[NH3+])[C@H]1C ZINC000252173855 350909542 /nfs/dbraw/zinc/90/95/42/350909542.db2.gz OOHBNOFBRXDFOA-VWYCJHECSA-N 2 1 200.326 0.817 10 0 BCAEMP [NH3+]C1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000088050564 351541579 /nfs/dbraw/zinc/54/15/79/351541579.db2.gz YRJHRYJUCAIEFP-SNVBAGLBSA-N 2 1 223.320 0.174 10 0 BCAEMP CC(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000307194060 351595285 /nfs/dbraw/zinc/59/52/85/351595285.db2.gz HXLNPIPHUIKLOJ-NEPJUHHUSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000307194060 351595290 /nfs/dbraw/zinc/59/52/90/351595290.db2.gz HXLNPIPHUIKLOJ-NEPJUHHUSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000307194060 351595292 /nfs/dbraw/zinc/59/52/92/351595292.db2.gz HXLNPIPHUIKLOJ-NEPJUHHUSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000307194060 351595296 /nfs/dbraw/zinc/59/52/96/351595296.db2.gz HXLNPIPHUIKLOJ-NEPJUHHUSA-N 2 1 210.321 0.849 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000638080514 351953223 /nfs/dbraw/zinc/95/32/23/351953223.db2.gz OSPALWCHDGOXJJ-WDEREUQCSA-N 2 1 227.352 0.585 10 0 BCAEMP CC[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000638114961 351990255 /nfs/dbraw/zinc/99/02/55/351990255.db2.gz DDRQVJVRWGUTTP-UTUOFQBUSA-N 2 1 239.363 0.680 10 0 BCAEMP CC(C)C[N@H+](C)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000300931466 363169398 /nfs/dbraw/zinc/16/93/98/363169398.db2.gz WECIHWIHERDINM-GHMZBOCLSA-N 2 1 200.326 0.687 10 0 BCAEMP CC(C)C[N@@H+](C)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000300931466 363169403 /nfs/dbraw/zinc/16/94/03/363169403.db2.gz WECIHWIHERDINM-GHMZBOCLSA-N 2 1 200.326 0.687 10 0 BCAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)C1CCC1 ZINC000725271653 538103407 /nfs/dbraw/zinc/10/34/07/538103407.db2.gz ABYVRIVTMXCFMJ-UHFFFAOYSA-N 2 1 209.293 0.637 10 0 BCAEMP C[C@]1([NH3+])CC=C([C@@H]2CC[NH2+]C[C@@H]2N)CC1 ZINC000725271793 538103964 /nfs/dbraw/zinc/10/39/64/538103964.db2.gz CNJIOUGTFNTGMZ-SRVKXCTJSA-N 2 1 209.337 0.751 10 0 BCAEMP C[C@H]1CSC[C@H]1[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000307395371 352569699 /nfs/dbraw/zinc/56/96/99/352569699.db2.gz HCCBREQDJKRMQM-UKKRHICBSA-N 2 1 212.362 0.889 10 0 BCAEMP C[C@@H](C[NH3+])C[N@@H+]1CCC2(C1)OCCO2 ZINC000307645091 352738117 /nfs/dbraw/zinc/73/81/17/352738117.db2.gz WVUIBEAOCUJPLJ-VIFPVBQESA-N 2 1 200.282 0.030 10 0 BCAEMP C[C@@H](C[NH3+])C[N@H+]1CCC2(C1)OCCO2 ZINC000307645091 352738121 /nfs/dbraw/zinc/73/81/21/352738121.db2.gz WVUIBEAOCUJPLJ-VIFPVBQESA-N 2 1 200.282 0.030 10 0 BCAEMP C[N@@H+](CC1CC1)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037925408 188115319 /nfs/dbraw/zinc/11/53/19/188115319.db2.gz FIRNPBITMSJFAQ-NWDGAFQWSA-N 2 1 240.347 0.951 10 0 BCAEMP CC(=O)N1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000043326905 188121328 /nfs/dbraw/zinc/12/13/28/188121328.db2.gz BKIHEPJELYMOQF-GFCCVEGCSA-N 2 1 225.336 0.339 10 0 BCAEMP CC(C)[N@H+]1CC[C@@H](CN2C[C@H]([NH3+])CC2=O)C1 ZINC000045136635 188123371 /nfs/dbraw/zinc/12/33/71/188123371.db2.gz XGXKKGNDUPWFCE-GHMZBOCLSA-N 2 1 225.336 0.276 10 0 BCAEMP CC(C)[N@H+]1CC[C@H](CN2C[C@H]([NH3+])CC2=O)C1 ZINC000045136634 188123957 /nfs/dbraw/zinc/12/39/57/188123957.db2.gz XGXKKGNDUPWFCE-WDEREUQCSA-N 2 1 225.336 0.276 10 0 BCAEMP CC(C)C[C@H]([NH3+])C(=O)NCCc1cnc[nH]1 ZINC000082175695 188137672 /nfs/dbraw/zinc/13/76/72/188137672.db2.gz LXRYPLDFVSOFSV-JTQLQIEISA-N 2 1 224.308 0.442 10 0 BCAEMP CC(C)c1c[nH+]cn1CCN1CC[NH2+]CC1 ZINC000082656415 188138987 /nfs/dbraw/zinc/13/89/87/188138987.db2.gz ZKDARTNUYUTXDD-UHFFFAOYSA-N 2 1 222.336 0.912 10 0 BCAEMP CN(C(=O)CCC[NH3+])[C@@H]1CCC[N@@H+](C)C1 ZINC000053245704 188161171 /nfs/dbraw/zinc/16/11/71/188161171.db2.gz QCSIQJXMMWLXNX-SNVBAGLBSA-N 2 1 213.325 0.278 10 0 BCAEMP C([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000250979652 188221413 /nfs/dbraw/zinc/22/14/13/188221413.db2.gz BFECNACKCOJEJT-STQMWFEESA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCOCC[NH3+] ZINC000251882051 353293995 /nfs/dbraw/zinc/29/39/95/353293995.db2.gz UWDCYZNRRHBKCC-RYUDHWBXSA-N 2 1 227.352 0.130 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)C[NH3+] ZINC000252573103 353300057 /nfs/dbraw/zinc/30/00/57/353300057.db2.gz DKAVEMUYUGDQDG-MNOVXSKESA-N 2 1 227.352 0.524 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252863425 353312110 /nfs/dbraw/zinc/31/21/10/353312110.db2.gz OQFVVOWRINPWNE-DCAQKATOSA-N 2 1 226.320 0.609 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000054134635 188483153 /nfs/dbraw/zinc/48/31/53/188483153.db2.gz QEQFMECIIXMHLA-VXGBXAGGSA-N 2 1 241.379 0.831 10 0 BCAEMP NC(=[NH2+])c1ccc(C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000061710587 181194323 /nfs/dbraw/zinc/19/43/23/181194323.db2.gz GKCQYUBQENLETP-JTQLQIEISA-N 2 1 237.278 0.676 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000042438602 181220239 /nfs/dbraw/zinc/22/02/39/181220239.db2.gz HNYKTPQVPFQBSZ-WDEREUQCSA-N 2 1 225.336 0.454 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1CNc1cc[nH+]cc1Cl ZINC000420252664 192188138 /nfs/dbraw/zinc/18/81/38/192188138.db2.gz OJLWNIZIVUTQNG-GMSGAONNSA-N 2 1 227.695 0.149 10 0 BCAEMP NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000043493498 181281244 /nfs/dbraw/zinc/28/12/44/181281244.db2.gz WHNZKQHFXFTDPB-QWRGUYRKSA-N 2 1 225.336 0.183 10 0 BCAEMP NC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000051918926 181281817 /nfs/dbraw/zinc/28/18/17/181281817.db2.gz WJBUMHZMWGQUHQ-WDEREUQCSA-N 2 1 225.336 0.326 10 0 BCAEMP COc1nscc1[C@H]1CC[NH2+]C[C@H]1[NH3+] ZINC000675058967 538482435 /nfs/dbraw/zinc/48/24/35/538482435.db2.gz DWKSARVQXRJJJC-HTRCEHHLSA-N 2 1 213.306 0.556 10 0 BCAEMP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167766892 134153754 /nfs/dbraw/zinc/15/37/54/134153754.db2.gz BNRMOZGLBOLNFX-NEPJUHHUSA-N 2 1 241.379 0.770 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167766892 134153755 /nfs/dbraw/zinc/15/37/55/134153755.db2.gz BNRMOZGLBOLNFX-NEPJUHHUSA-N 2 1 241.379 0.770 10 0 BCAEMP COCC[N@@H+](C)C1[C@H](C)C[NH2+]C[C@H]1C ZINC000685950542 538893794 /nfs/dbraw/zinc/89/37/94/538893794.db2.gz AXKKOQCGOWDVFD-NXEZZACHSA-N 2 1 200.326 0.809 10 0 BCAEMP COCC[N@@H+](C)C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685950546 538893948 /nfs/dbraw/zinc/89/39/48/538893948.db2.gz AXKKOQCGOWDVFD-UWVGGRQHSA-N 2 1 200.326 0.809 10 0 BCAEMP COCC[N@@H+](C)[C@H]1[C@H](C)C[NH2+]C[C@@H]1C ZINC000685950545 538893967 /nfs/dbraw/zinc/89/39/67/538893967.db2.gz AXKKOQCGOWDVFD-URLYPYJESA-N 2 1 200.326 0.809 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC([NH3+])CC1 ZINC000224049037 357830594 /nfs/dbraw/zinc/83/05/94/357830594.db2.gz UYDDPGNVGBUFLM-HTAVTVPLSA-N 2 1 239.363 0.714 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCC[NH3+] ZINC000086188861 357872576 /nfs/dbraw/zinc/87/25/76/357872576.db2.gz HNUJXSHLLWVUMJ-NSHDSACASA-N 2 1 227.352 0.668 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219941642 358010600 /nfs/dbraw/zinc/01/06/00/358010600.db2.gz LMKMHXWCPXBZFL-RKDXNWHRSA-N 2 1 213.325 0.193 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C ZINC000220086757 358023881 /nfs/dbraw/zinc/02/38/81/358023881.db2.gz ZELRULRALFHVTO-VHSXEESVSA-N 2 1 215.341 0.441 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882582 358055629 /nfs/dbraw/zinc/05/56/29/358055629.db2.gz XFFAZMUCYDEWBM-WOPDTQHZSA-N 2 1 239.363 0.537 10 0 BCAEMP CCCCOC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000227888698 358365156 /nfs/dbraw/zinc/36/51/56/358365156.db2.gz FWSNHLXEDDFSTE-CYBMUJFWSA-N 2 1 244.379 0.848 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH2+]C ZINC000086188891 358442713 /nfs/dbraw/zinc/44/27/13/358442713.db2.gz YXKVOCIHHPFKTM-GHMZBOCLSA-N 2 1 227.352 0.537 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219973636 134295715 /nfs/dbraw/zinc/29/57/15/134295715.db2.gz HGHGFECIBHBPEU-KOLCDFICSA-N 2 1 227.352 0.713 10 0 BCAEMP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000309131192 491145391 /nfs/dbraw/zinc/14/53/91/491145391.db2.gz RAKKRBWORDSUIM-GHMZBOCLSA-N 2 1 212.337 0.689 10 0 BCAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1C[C@@H](O)C[C@H]1C ZINC000306514878 360338179 /nfs/dbraw/zinc/33/81/79/360338179.db2.gz BKYDNJJMIJQODY-VPOLOUISSA-N 2 1 200.326 0.957 10 0 BCAEMP COC1CC([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000309978062 491159262 /nfs/dbraw/zinc/15/92/62/491159262.db2.gz USSBLJFLOOQDAD-WHXUTIOJSA-N 2 1 221.304 0.965 10 0 BCAEMP [NH3+]C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000019811498 181344749 /nfs/dbraw/zinc/34/47/49/181344749.db2.gz URGZENBIVUIEKK-SNVBAGLBSA-N 2 1 211.309 0.078 10 0 BCAEMP CCCc1[nH+]ccn1C[C@](C)([NH3+])C(N)=O ZINC000069964634 541307851 /nfs/dbraw/zinc/30/78/51/541307851.db2.gz FMQFQOCNELVZLG-JTQLQIEISA-N 2 1 210.281 0.038 10 0 BCAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)C(C)(C)C ZINC000725272916 541340743 /nfs/dbraw/zinc/34/07/43/541340743.db2.gz UFCOXTNNODWCJC-UHFFFAOYSA-N 2 1 211.309 0.883 10 0 BCAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC000104320933 181385943 /nfs/dbraw/zinc/38/59/43/181385943.db2.gz FMASWXAROVWQKN-LLVKDONJSA-N 2 1 240.351 0.215 10 0 BCAEMP [NH3+]CC[N@@H+]1CCC2(C1)CCC(CO)CC2 ZINC000095077566 181392176 /nfs/dbraw/zinc/39/21/76/181392176.db2.gz IUIJRZHDCNMPCR-UHFFFAOYSA-N 2 1 212.337 0.820 10 0 BCAEMP [NH3+]CC[N@H+]1CCC2(C1)CCC(CO)CC2 ZINC000095077566 181392178 /nfs/dbraw/zinc/39/21/78/181392178.db2.gz IUIJRZHDCNMPCR-UHFFFAOYSA-N 2 1 212.337 0.820 10 0 BCAEMP [NH3+]C[C@@H](O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000076165951 181422722 /nfs/dbraw/zinc/42/27/22/181422722.db2.gz GZXAWDIOGJDKIM-LBPRGKRZSA-N 2 1 231.299 0.794 10 0 BCAEMP CN(C)c1nc(NCC2CC[NH2+]CC2)cc[nH+]1 ZINC000085432101 368864403 /nfs/dbraw/zinc/86/44/03/368864403.db2.gz XMGWEBQJXOMCEQ-UHFFFAOYSA-N 2 1 235.335 0.954 10 0 BCAEMP CC[NH+]1CCC(CN[C@@H]2CC[NH2+]C2)CC1 ZINC000086729494 368884063 /nfs/dbraw/zinc/88/40/63/368884063.db2.gz KDZNYKOWUQJOGH-GFCCVEGCSA-N 2 1 211.353 0.670 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000631838985 369123756 /nfs/dbraw/zinc/12/37/56/369123756.db2.gz XZSSSQYDWUNANU-QWRGUYRKSA-N 2 1 225.336 0.135 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1C[NH3+] ZINC000631838985 369123760 /nfs/dbraw/zinc/12/37/60/369123760.db2.gz XZSSSQYDWUNANU-QWRGUYRKSA-N 2 1 225.336 0.135 10 0 BCAEMP C[C@@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631839837 369185072 /nfs/dbraw/zinc/18/50/72/369185072.db2.gz LMMWPGMQCPSNNM-MNOVXSKESA-N 2 1 248.392 0.338 10 0 BCAEMP C[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000631839837 369185075 /nfs/dbraw/zinc/18/50/75/369185075.db2.gz LMMWPGMQCPSNNM-MNOVXSKESA-N 2 1 248.392 0.338 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843365 369374191 /nfs/dbraw/zinc/37/41/91/369374191.db2.gz MVVCZWBBKKFDMO-GARJFASQSA-N 2 1 227.352 0.428 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843365 369374194 /nfs/dbraw/zinc/37/41/94/369374194.db2.gz MVVCZWBBKKFDMO-GARJFASQSA-N 2 1 227.352 0.428 10 0 BCAEMP CCSCC[NH2+]C1CC[NH+](CCO)CC1 ZINC000389854942 371178104 /nfs/dbraw/zinc/17/81/04/371178104.db2.gz ALJNXSHAIDWGEH-UHFFFAOYSA-N 2 1 232.393 0.786 10 0 BCAEMP CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000624234967 371421439 /nfs/dbraw/zinc/42/14/39/371421439.db2.gz AFMPWSIVBWDWCA-NEPJUHHUSA-N 2 1 228.336 0.210 10 0 BCAEMP CC[NH2+][C@H](C)[C@]1(O)CC[N@@H+](C)[C@@H](C)C1 ZINC000226846343 371750176 /nfs/dbraw/zinc/75/01/76/371750176.db2.gz UOZLGEWBCAIXLT-AXFHLTTASA-N 2 1 200.326 0.830 10 0 BCAEMP Cc1c(C[NH2+]CCc2c[nH+]cn2C)cnn1C ZINC000401796372 371820832 /nfs/dbraw/zinc/82/08/32/371820832.db2.gz JOVHKAJGPCXQDF-UHFFFAOYSA-N 2 1 233.319 0.794 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@H+](CC[S@@](C)=O)C1 ZINC000229272915 372136235 /nfs/dbraw/zinc/13/62/35/372136235.db2.gz CJQUGCOSVXCBLG-IINYFYTJSA-N 2 1 218.366 0.296 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC[S@@](C)=O)C1 ZINC000229272915 372136241 /nfs/dbraw/zinc/13/62/41/372136241.db2.gz CJQUGCOSVXCBLG-IINYFYTJSA-N 2 1 218.366 0.296 10 0 BCAEMP Cc1nccnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836845 372625724 /nfs/dbraw/zinc/62/57/24/372625724.db2.gz HWRDZIRAFKDDQG-ONGXEEELSA-N 2 1 220.320 0.812 10 0 BCAEMP Cc1nccnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631836845 372625729 /nfs/dbraw/zinc/62/57/29/372625729.db2.gz HWRDZIRAFKDDQG-ONGXEEELSA-N 2 1 220.320 0.812 10 0 BCAEMP C[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1C[NH3+] ZINC000631838350 372631942 /nfs/dbraw/zinc/63/19/42/372631942.db2.gz MTGKWWWZHARFAT-WDEREUQCSA-N 2 1 208.309 0.410 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838598 372634123 /nfs/dbraw/zinc/63/41/23/372634123.db2.gz QYMTZHKKKOGMDU-VHSXEESVSA-N 2 1 225.336 0.134 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C[NH3+] ZINC000631838598 372634130 /nfs/dbraw/zinc/63/41/30/372634130.db2.gz QYMTZHKKKOGMDU-VHSXEESVSA-N 2 1 225.336 0.134 10 0 BCAEMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842046 372640231 /nfs/dbraw/zinc/64/02/31/372640231.db2.gz ULAVNPLSXFVPDJ-WOPDTQHZSA-N 2 1 241.379 0.770 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843206 372641321 /nfs/dbraw/zinc/64/13/21/372641321.db2.gz KKXWFUZUQRUMQM-ZJUUUORDSA-N 2 1 213.325 0.038 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843206 372641328 /nfs/dbraw/zinc/64/13/28/372641328.db2.gz KKXWFUZUQRUMQM-ZJUUUORDSA-N 2 1 213.325 0.038 10 0 BCAEMP C[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCCC1)OCCO2 ZINC000039384616 372960337 /nfs/dbraw/zinc/96/03/37/372960337.db2.gz CERNGLBORHTCEL-NEPJUHHUSA-N 2 1 240.347 0.966 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000040503012 373360611 /nfs/dbraw/zinc/36/06/11/373360611.db2.gz HOOCJUHZYZCCOD-GFCCVEGCSA-N 2 1 211.353 0.812 10 0 BCAEMP CCN1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC000040503012 373360618 /nfs/dbraw/zinc/36/06/18/373360618.db2.gz HOOCJUHZYZCCOD-GFCCVEGCSA-N 2 1 211.353 0.812 10 0 BCAEMP OC1(C[N@H+]2CCO[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000051016355 183018069 /nfs/dbraw/zinc/01/80/69/183018069.db2.gz SKPCDHBVKIZULE-RYUDHWBXSA-N 2 1 240.347 0.354 10 0 BCAEMP OC[C@@]1([N@H+]2CCC[NH2+]CC2)CCCSC1 ZINC000061590873 183134897 /nfs/dbraw/zinc/13/48/97/183134897.db2.gz RGXLWTJVIPLPGQ-NSHDSACASA-N 2 1 230.377 0.540 10 0 BCAEMP OC[C@]1([N@@H+]2CCC[NH2+]CC2)CCSC1 ZINC000038117147 183159582 /nfs/dbraw/zinc/15/95/82/183159582.db2.gz GRPKNPKFWXTOIU-SNVBAGLBSA-N 2 1 216.350 0.150 10 0 BCAEMP OC[C@]1([N@H+]2CCC[NH2+]CC2)CCSC1 ZINC000038117147 183159583 /nfs/dbraw/zinc/15/95/83/183159583.db2.gz GRPKNPKFWXTOIU-SNVBAGLBSA-N 2 1 216.350 0.150 10 0 BCAEMP CCC[N@@H+](C)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037098291 169085685 /nfs/dbraw/zinc/08/56/85/169085685.db2.gz IXOPDSPLHJIQOM-WDEREUQCSA-N 2 1 228.336 0.951 10 0 BCAEMP CCC[N@@H+](CC(=O)NC)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042404355 169096746 /nfs/dbraw/zinc/09/67/46/169096746.db2.gz INIFNQHIMMWGOJ-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP O[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1 ZINC000034122511 183245234 /nfs/dbraw/zinc/24/52/34/183245234.db2.gz AHEIGAOSXRVHSH-NEPJUHHUSA-N 2 1 206.289 0.499 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000226406943 169121171 /nfs/dbraw/zinc/12/11/71/169121171.db2.gz ZTLDNVHZGJOJIA-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[N@@H+](CCO)C1(C[NH3+])CCCC1 ZINC000050090509 169165132 /nfs/dbraw/zinc/16/51/32/169165132.db2.gz LOQKOBIOENDENR-UHFFFAOYSA-N 2 1 200.326 0.962 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC(N)=O)C1 ZINC000036746770 169195552 /nfs/dbraw/zinc/19/55/52/169195552.db2.gz PDLGEJRXZIBMRV-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000019411937 169200977 /nfs/dbraw/zinc/20/09/77/169200977.db2.gz KBPKWOHXALSUTP-NSHDSACASA-N 2 1 225.336 0.293 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC)CC1 ZINC000036871399 169201082 /nfs/dbraw/zinc/20/10/82/169201082.db2.gz KIEKTRMCYLZKFU-JTQLQIEISA-N 2 1 213.325 0.278 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC)CC1 ZINC000036871398 169201291 /nfs/dbraw/zinc/20/12/91/169201291.db2.gz KIEKTRMCYLZKFU-SNVBAGLBSA-N 2 1 213.325 0.278 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000019508913 169201500 /nfs/dbraw/zinc/20/15/00/169201500.db2.gz HTFSDFNGBIMUDK-LBPRGKRZSA-N 2 1 241.379 0.914 10 0 BCAEMP CCC[NH2+]C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000038062675 169255500 /nfs/dbraw/zinc/25/55/00/169255500.db2.gz IEAOLAWFGUSPTQ-CYBMUJFWSA-N 2 1 242.363 0.866 10 0 BCAEMP CCC[NH2+]CCC(=O)N1CC[NH+](CC)CC1 ZINC000072417550 169257531 /nfs/dbraw/zinc/25/75/31/169257531.db2.gz PKBWCUFKKNBVMX-UHFFFAOYSA-N 2 1 227.352 0.540 10 0 BCAEMP CCC[NH2+]C[C@@]1(C[N@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711792 169263554 /nfs/dbraw/zinc/26/35/54/169263554.db2.gz PIRSZULBCDYUOL-QWHCGFSZSA-N 2 1 242.363 0.459 10 0 BCAEMP CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000119880354 169345585 /nfs/dbraw/zinc/34/55/85/169345585.db2.gz CYSDNCFJBYZACZ-NEPJUHHUSA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226398578 169389595 /nfs/dbraw/zinc/38/95/95/169389595.db2.gz HGHGFECIBHBPEU-MWLCHTKSSA-N 2 1 227.352 0.713 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649670 169390018 /nfs/dbraw/zinc/39/00/18/169390018.db2.gz UQECCAKCLSUPFL-ZYHUDNBSSA-N 2 1 239.363 0.714 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000226396673 169389145 /nfs/dbraw/zinc/38/91/45/169389145.db2.gz BBNLTPVRYGFARK-GHMZBOCLSA-N 2 1 229.368 0.960 10 0 BCAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2CCOCO2)C1 ZINC000050248477 383986843 /nfs/dbraw/zinc/98/68/43/383986843.db2.gz GGIDJBOQDRMPEF-ZJUUUORDSA-N 2 1 200.282 0.030 10 0 BCAEMP CC[C@H](C[NH3+])[C@]1(O)CC[N@@H+](C)[C@H](C)C1 ZINC000157178772 384226960 /nfs/dbraw/zinc/22/69/60/384226960.db2.gz WELBDZNRTLDYSS-MXWKQRLJSA-N 2 1 200.326 0.817 10 0 BCAEMP [NH3+][C@H](CCO)C1C[NH+](Cc2ccccc2)C1 ZINC000095077247 384352626 /nfs/dbraw/zinc/35/26/26/384352626.db2.gz XQEDXOQECLOYJX-CYBMUJFWSA-N 2 1 220.316 0.828 10 0 BCAEMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1C ZINC000647512570 384408163 /nfs/dbraw/zinc/40/81/63/384408163.db2.gz CALWRMXKAANQGB-CYZMBNFOSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nn1C ZINC000647512570 384408171 /nfs/dbraw/zinc/40/81/71/384408171.db2.gz CALWRMXKAANQGB-CYZMBNFOSA-N 2 1 234.347 0.898 10 0 BCAEMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647512638 384410902 /nfs/dbraw/zinc/41/09/02/384410902.db2.gz NYHGOZNMGGKHKD-AXFHLTTASA-N 2 1 220.320 0.887 10 0 BCAEMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000647512638 384410906 /nfs/dbraw/zinc/41/09/06/384410906.db2.gz NYHGOZNMGGKHKD-AXFHLTTASA-N 2 1 220.320 0.887 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000054076055 384731168 /nfs/dbraw/zinc/73/11/68/384731168.db2.gz CAVNVERAWKZOCL-GHMZBOCLSA-N 2 1 227.352 0.441 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054293024 384733263 /nfs/dbraw/zinc/73/32/63/384733263.db2.gz VQVUDODYPHGSAA-LBPRGKRZSA-N 2 1 241.379 0.833 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000126916934 384828771 /nfs/dbraw/zinc/82/87/71/384828771.db2.gz MKLMWHYCKQSZJE-BDAKNGLRSA-N 2 1 200.282 0.219 10 0 BCAEMP CON1CCC([N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC000566229933 384952633 /nfs/dbraw/zinc/95/26/33/384952633.db2.gz URXWYEAILNDPTL-LBPRGKRZSA-N 2 1 241.379 0.944 10 0 BCAEMP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000518360212 384978199 /nfs/dbraw/zinc/97/81/99/384978199.db2.gz UEPBHKNWGADPAZ-VXGBXAGGSA-N 3 1 213.369 0.916 10 0 BCAEMP CN(C[C@@H]1C[NH2+]CCO1)[C@@H]1CCSC1 ZINC000043802194 385049592 /nfs/dbraw/zinc/04/95/92/385049592.db2.gz YLEZZEGXKCKGNP-ZJUUUORDSA-N 2 1 216.350 0.412 10 0 BCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCO)CC1 ZINC000177710514 385098002 /nfs/dbraw/zinc/09/80/02/385098002.db2.gz UAHLEMSLIYKXHQ-NSHDSACASA-N 2 1 230.352 0.003 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000228152984 385349380 /nfs/dbraw/zinc/34/93/80/385349380.db2.gz WJGPEKXSWFKYJX-ONGXEEELSA-N 2 1 222.336 0.898 10 0 BCAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCOC1)C2 ZINC000308985553 385325461 /nfs/dbraw/zinc/32/54/61/385325461.db2.gz JNLXZHVXHJFXKC-ZJUUUORDSA-N 2 1 207.277 0.576 10 0 BCAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC000309317649 385529652 /nfs/dbraw/zinc/52/96/52/385529652.db2.gz DLICBXSZJQVZNX-QWRGUYRKSA-N 2 1 221.304 0.967 10 0 BCAEMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000336677018 385605904 /nfs/dbraw/zinc/60/59/04/385605904.db2.gz CIVDZQZSSWLOHO-WCFLWFBJSA-N 2 1 242.363 0.599 10 0 BCAEMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000336677018 385605906 /nfs/dbraw/zinc/60/59/06/385605906.db2.gz CIVDZQZSSWLOHO-WCFLWFBJSA-N 2 1 242.363 0.599 10 0 BCAEMP CC(C)N1CC[N@@H+](C(C)C)C[C@@H]1C1=[NH+]CCN1 ZINC000058482474 385654249 /nfs/dbraw/zinc/65/42/49/385654249.db2.gz UBLHYKNVKKEDSV-GFCCVEGCSA-N 2 1 238.379 0.791 10 0 BCAEMP CC(C)N1CC[N@H+](C(C)C)C[C@@H]1C1=[NH+]CCN1 ZINC000058482474 385654258 /nfs/dbraw/zinc/65/42/58/385654258.db2.gz UBLHYKNVKKEDSV-GFCCVEGCSA-N 2 1 238.379 0.791 10 0 BCAEMP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638107346 385834528 /nfs/dbraw/zinc/83/45/28/385834528.db2.gz HPFHFRYDPMPVNY-WDEREUQCSA-N 2 1 225.336 0.291 10 0 BCAEMP C[N@H+]1CCN(Cc2noc(CN)n2)CC1(C)C ZINC000310031917 386055945 /nfs/dbraw/zinc/05/59/45/386055945.db2.gz QDUXHIAJUJUVNC-UHFFFAOYSA-N 2 1 239.323 0.054 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088199 386155950 /nfs/dbraw/zinc/15/59/50/386155950.db2.gz OWPROAMLTAFOCU-RYUDHWBXSA-N 2 1 241.379 0.960 10 0 BCAEMP Cn1nccc1CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310403584 386178661 /nfs/dbraw/zinc/17/86/61/386178661.db2.gz LELRWTNDILWMMS-DRZSPHRISA-N 2 1 234.347 0.632 10 0 BCAEMP COC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000124419173 386629813 /nfs/dbraw/zinc/62/98/13/386629813.db2.gz MQWPSGLLTWJDTO-VIFPVBQESA-N 2 1 200.282 0.219 10 0 BCAEMP COC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000124419173 386629817 /nfs/dbraw/zinc/62/98/17/386629817.db2.gz MQWPSGLLTWJDTO-VIFPVBQESA-N 2 1 200.282 0.219 10 0 BCAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)N2 ZINC000307582474 386737250 /nfs/dbraw/zinc/73/72/50/386737250.db2.gz VEAQIRNLMVPVIR-BXUZGUMPSA-N 2 1 244.342 0.938 10 0 BCAEMP C[C@H]([NH3+])[C@@H]1CCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000127367147 387116033 /nfs/dbraw/zinc/11/60/33/387116033.db2.gz QHNDENSOYXTABU-VHSXEESVSA-N 2 1 235.335 0.716 10 0 BCAEMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000643454664 387384456 /nfs/dbraw/zinc/38/44/56/387384456.db2.gz LRHUIKTZOINDRN-SRVKXCTJSA-N 2 1 213.369 0.914 10 0 BCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000440964811 387720724 /nfs/dbraw/zinc/72/07/24/387720724.db2.gz RRBVOLWVDRIZDJ-TUAOUCFPSA-N 2 1 239.363 0.727 10 0 BCAEMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C2)C1 ZINC000422972049 387822181 /nfs/dbraw/zinc/82/21/81/387822181.db2.gz KKRFFTQLSBQQPK-VXGBXAGGSA-N 2 1 211.353 0.670 10 0 BCAEMP CC(C)[C@@H]([NH3+])CNc1cc[nH+]c(N(C)C)n1 ZINC000082924396 388042883 /nfs/dbraw/zinc/04/28/83/388042883.db2.gz IIIGOWMHWJIONL-VIFPVBQESA-N 2 1 223.324 0.938 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251436052 388344626 /nfs/dbraw/zinc/34/46/26/388344626.db2.gz ADCRLPHFBSLLCF-QWRGUYRKSA-N 2 1 225.336 0.420 10 0 BCAEMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842934 388611008 /nfs/dbraw/zinc/61/10/08/388611008.db2.gz HPPQFMROMVSFKI-SDDRHHMPSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842934 388611009 /nfs/dbraw/zinc/61/10/09/388611009.db2.gz HPPQFMROMVSFKI-SDDRHHMPSA-N 2 1 241.379 0.674 10 0 BCAEMP Cc1cccc(N2CCO[C@H](C[NH3+])C2)[nH+]1 ZINC000041059080 132223808 /nfs/dbraw/zinc/22/38/08/132223808.db2.gz HLCKJLRGXCTYCS-SNVBAGLBSA-N 2 1 207.277 0.554 10 0 BCAEMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@@H]1[NH3+] ZINC000094342673 132238883 /nfs/dbraw/zinc/23/88/83/132238883.db2.gz NLZILMQWGWJIAO-UWVGGRQHSA-N 2 1 235.335 0.716 10 0 BCAEMP C[C@@H]([NH3+])CC[NH+]1CCN(c2ccccn2)CC1 ZINC000037401931 132344165 /nfs/dbraw/zinc/34/41/65/132344165.db2.gz GJZCXPXSLPSJGD-GFCCVEGCSA-N 2 1 234.347 0.941 10 0 BCAEMP C(CN1CCCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000168709371 134246447 /nfs/dbraw/zinc/24/64/47/134246447.db2.gz TZJZWPDLXIEFGV-GFCCVEGCSA-N 2 1 211.353 0.814 10 0 BCAEMP C1CC1[N@H+]1CC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168742283 134248095 /nfs/dbraw/zinc/24/80/95/134248095.db2.gz XRAGHHIXYQXNAA-NEPJUHHUSA-N 2 1 223.364 0.955 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)CC[N@@H+]1C ZINC000180597596 134330012 /nfs/dbraw/zinc/33/00/12/134330012.db2.gz JRCBSDAJKHSHOV-IJLUTSLNSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)CC[N@H+]1C ZINC000180597596 134330013 /nfs/dbraw/zinc/33/00/13/134330013.db2.gz JRCBSDAJKHSHOV-IJLUTSLNSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H](CC[NH3+])Nc1cc[nH+]c(N(C)C)n1 ZINC000134273886 134705974 /nfs/dbraw/zinc/70/59/74/134705974.db2.gz ZYZPLLKLXSLHIL-QMMMGPOBSA-N 2 1 209.297 0.692 10 0 BCAEMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCC[NH3+] ZINC000251536450 135070232 /nfs/dbraw/zinc/07/02/32/135070232.db2.gz AOFOYTMAOFSNAJ-RYUDHWBXSA-N 2 1 211.353 0.894 10 0 BCAEMP C[C@H]([NH3+])CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251769741 135076527 /nfs/dbraw/zinc/07/65/27/135076527.db2.gz MHYGERVDOAWTJG-TUAOUCFPSA-N 2 1 211.353 0.892 10 0 BCAEMP [NH3+]CCOCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000086435581 135084057 /nfs/dbraw/zinc/08/40/57/135084057.db2.gz GSNDAPGFAKSWFQ-NWDGAFQWSA-N 2 1 228.336 0.605 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2cnn(C)c2C)C1 ZINC000086552430 135089403 /nfs/dbraw/zinc/08/94/03/135089403.db2.gz CTLICZYLNPLOOT-LLVKDONJSA-N 2 1 222.336 0.770 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000086552430 135089406 /nfs/dbraw/zinc/08/94/06/135089406.db2.gz CTLICZYLNPLOOT-LLVKDONJSA-N 2 1 222.336 0.770 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnn(C)c2C)C1 ZINC000086552431 135089863 /nfs/dbraw/zinc/08/98/63/135089863.db2.gz CTLICZYLNPLOOT-NSHDSACASA-N 2 1 222.336 0.770 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnn(C)c2C)C1 ZINC000086552431 135089864 /nfs/dbraw/zinc/08/98/64/135089864.db2.gz CTLICZYLNPLOOT-NSHDSACASA-N 2 1 222.336 0.770 10 0 BCAEMP C[C@H]1C(=O)NCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257769648 135141695 /nfs/dbraw/zinc/14/16/95/135141695.db2.gz BSBIAULVXDYXNV-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257769648 135141697 /nfs/dbraw/zinc/14/16/97/135141697.db2.gz BSBIAULVXDYXNV-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257769646 135141737 /nfs/dbraw/zinc/14/17/37/135141737.db2.gz BSBIAULVXDYXNV-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000257769646 135141739 /nfs/dbraw/zinc/14/17/39/135141739.db2.gz BSBIAULVXDYXNV-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP OCC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261531680 135160867 /nfs/dbraw/zinc/16/08/67/135160867.db2.gz HMANIGICZFCQKF-NWDGAFQWSA-N 2 1 212.337 0.833 10 0 BCAEMP OC[C@H]1C[C@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261542064 135182520 /nfs/dbraw/zinc/18/25/20/135182520.db2.gz GLUUTHWRLKSJGJ-WDEREUQCSA-N 2 1 216.300 0.391 10 0 BCAEMP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261571629 135213727 /nfs/dbraw/zinc/21/37/27/135213727.db2.gz HQDKIZCEERFYFY-AVGNSLFASA-N 2 1 224.348 0.954 10 0 BCAEMP CCOCC[N@H+]1CCN(CC[NH3+])C[C@H]1CC ZINC000261583571 135223951 /nfs/dbraw/zinc/22/39/51/135223951.db2.gz PEBNJEBCJCMMMX-GFCCVEGCSA-N 2 1 229.368 0.378 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cccn3)C[C@H]12 ZINC000261596341 135235632 /nfs/dbraw/zinc/23/56/32/135235632.db2.gz YSTCXAHQPZTVRL-GRYCIOLGSA-N 2 1 220.320 0.552 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]12 ZINC000261596343 135235647 /nfs/dbraw/zinc/23/56/47/135235647.db2.gz YSTCXAHQPZTVRL-IJLUTSLNSA-N 2 1 220.320 0.552 10 0 BCAEMP CCOCCOCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000261642438 135242478 /nfs/dbraw/zinc/24/24/78/135242478.db2.gz AKKGVYMJOXNSFU-CYBMUJFWSA-N 2 1 244.379 0.971 10 0 BCAEMP CCOCCOCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261642442 135242803 /nfs/dbraw/zinc/24/28/03/135242803.db2.gz AKKGVYMJOXNSFU-ZDUSSCGKSA-N 2 1 244.379 0.971 10 0 BCAEMP C[C@@H](CO)[N@H+]1CCCN(CC(C)(C)[NH3+])CC1 ZINC000261747459 135249922 /nfs/dbraw/zinc/24/99/22/135249922.db2.gz BXBKUCDDRRBTNY-NSHDSACASA-N 2 1 229.368 0.112 10 0 BCAEMP O=C1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)CN1 ZINC000261758801 135251030 /nfs/dbraw/zinc/25/10/30/135251030.db2.gz CSQPXQXQOZWOPW-YPMHNXCESA-N 2 1 237.347 0.198 10 0 BCAEMP C[C@]1(C[N@H+]2CCC[C@H](n3cncn3)C2)CC[NH2+]C1 ZINC000261917386 135262712 /nfs/dbraw/zinc/26/27/12/135262712.db2.gz ZTOOVOVYQQBBAB-STQMWFEESA-N 2 1 249.362 0.915 10 0 BCAEMP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000261910615 135262786 /nfs/dbraw/zinc/26/27/86/135262786.db2.gz ZQUCWXUIMRVGMZ-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000261910615 135262788 /nfs/dbraw/zinc/26/27/88/135262788.db2.gz ZQUCWXUIMRVGMZ-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP COCCO[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261930634 135264157 /nfs/dbraw/zinc/26/41/57/135264157.db2.gz LNHVPHQELPKBKI-OLZOCXBDSA-N 2 1 242.363 0.723 10 0 BCAEMP C[N@@H+]1C[C@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]2C1 ZINC000261951918 135266151 /nfs/dbraw/zinc/26/61/51/135266151.db2.gz OBRMTUXNFQPIHN-UPJWGTAASA-N 2 1 223.364 0.479 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOCC(F)F)C[C@H]12 ZINC000262123715 135280511 /nfs/dbraw/zinc/28/05/11/135280511.db2.gz MQSLBSXXDOMFDP-LPEHRKFASA-N 2 1 234.290 0.937 10 0 BCAEMP Oc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263174467 135337006 /nfs/dbraw/zinc/33/70/06/135337006.db2.gz GARWVZBPYGMWOH-CMPLNLGQSA-N 2 1 222.288 0.062 10 0 BCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C2C[NH2+]C2)C1 ZINC000263238046 135342053 /nfs/dbraw/zinc/34/20/53/135342053.db2.gz BXDBXUXIGNLZRF-JTQLQIEISA-N 2 1 225.336 0.054 10 0 BCAEMP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263264773 135343770 /nfs/dbraw/zinc/34/37/70/135343770.db2.gz RLSQGYGAEXOEHJ-WCQYABFASA-N 2 1 238.306 0.804 10 0 BCAEMP Cc1cc(F)ccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263313360 135345630 /nfs/dbraw/zinc/34/56/30/135345630.db2.gz ZCBPDCJGIXVBRR-WCQYABFASA-N 2 1 238.306 0.804 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812628 398023568 /nfs/dbraw/zinc/02/35/68/398023568.db2.gz UENIESDXHFWBSB-VXGBXAGGSA-N 2 1 239.363 0.666 10 0 BCAEMP CC[N@H+]1CC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000389214690 398051123 /nfs/dbraw/zinc/05/11/23/398051123.db2.gz CMAJTGCAMHDQQW-OLZOCXBDSA-N 2 1 241.379 0.127 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000662401003 487598330 /nfs/dbraw/zinc/59/83/30/487598330.db2.gz HOTUATCGEDLIFU-QWRGUYRKSA-N 2 1 227.352 0.585 10 0 BCAEMP CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000662265795 409559964 /nfs/dbraw/zinc/55/99/64/409559964.db2.gz IOOSESDSIFEJSY-USZNOCQGSA-N 2 1 237.347 0.276 10 0 BCAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)OC ZINC000662267109 409569113 /nfs/dbraw/zinc/56/91/13/409569113.db2.gz SBHIAULEBZEABD-NNYUYHANSA-N 2 1 228.336 0.317 10 0 BCAEMP CC(C)C[NH2+]C1(C(N)=O)CC[NH+](C(C)C)CC1 ZINC000037946115 167003373 /nfs/dbraw/zinc/00/33/73/167003373.db2.gz KAMQVYJMERBXTQ-UHFFFAOYSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC000045659803 167024374 /nfs/dbraw/zinc/02/43/74/167024374.db2.gz PWHWCCUMMPGAMN-LBPRGKRZSA-N 2 1 211.353 0.892 10 0 BCAEMP CC(C)[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037869270 167093352 /nfs/dbraw/zinc/09/33/52/167093352.db2.gz NGICLXIGENZNRT-DHHPTOIESA-N 2 1 225.336 0.465 10 0 BCAEMP CC(C)[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037869270 167093356 /nfs/dbraw/zinc/09/33/56/167093356.db2.gz NGICLXIGENZNRT-DHHPTOIESA-N 2 1 225.336 0.465 10 0 BCAEMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000037618397 167100369 /nfs/dbraw/zinc/10/03/69/167100369.db2.gz XOIXLLUAFUCUNI-VXGBXAGGSA-N 2 1 239.363 0.727 10 0 BCAEMP CC(C)[NH2+][C@@H](CCO)[C@H]1CCCC[NH2+]1 ZINC000095088317 167132027 /nfs/dbraw/zinc/13/20/27/167132027.db2.gz UUASSAQXYVIEGB-MNOVXSKESA-N 2 1 200.326 0.878 10 0 BCAEMP CC[NH+](CC)C[C@@H](O)CNC[C@@H]1CC[N@@H+](C)C1 ZINC000037894271 169785364 /nfs/dbraw/zinc/78/53/64/169785364.db2.gz VRZAFICZHYVXRU-STQMWFEESA-N 2 1 243.395 0.230 10 0 BCAEMP CC1(C)OCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000399100128 411014919 /nfs/dbraw/zinc/01/49/19/411014919.db2.gz FTBCLQNDSZNAPD-GFCCVEGCSA-N 2 1 242.363 0.600 10 0 BCAEMP CC(C)[C@H]1CN([C@@H]2CC[NH2+]C2)CC[N@H+]1C ZINC000108357019 411144240 /nfs/dbraw/zinc/14/42/40/411144240.db2.gz WYMRAFXCVVUKKI-VXGBXAGGSA-N 2 1 211.353 0.620 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000128847020 411247335 /nfs/dbraw/zinc/24/73/35/411247335.db2.gz PAKSEEISAPQCGT-JTQLQIEISA-N 2 1 213.325 0.134 10 0 BCAEMP Nc1cc(C2CCN(CC[NH3+])CC2)cc[nH+]1 ZINC000616620309 411398508 /nfs/dbraw/zinc/39/85/08/411398508.db2.gz VIRSOQBPGGCXLC-UHFFFAOYSA-N 2 1 220.320 0.802 10 0 BCAEMP CC[NH+]1CCN(C(=O)CC[C@@H](C)C[NH3+])CC1 ZINC000076612828 169983655 /nfs/dbraw/zinc/98/36/55/169983655.db2.gz GWVQLKXGRWFSQV-LLVKDONJSA-N 2 1 227.352 0.526 10 0 BCAEMP CC[N@@H+]1CC[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC000049304992 170007353 /nfs/dbraw/zinc/00/73/53/170007353.db2.gz YDJREUKBFQTTRE-NSHDSACASA-N 2 1 239.363 0.539 10 0 BCAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC000049304992 170007354 /nfs/dbraw/zinc/00/73/54/170007354.db2.gz YDJREUKBFQTTRE-NSHDSACASA-N 2 1 239.363 0.539 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157209279 170015244 /nfs/dbraw/zinc/01/52/44/170015244.db2.gz LTJCCLCXRPBKSN-VXGBXAGGSA-N 2 1 239.363 0.587 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC2CC[NH2+]CC2)C1 ZINC000038041450 170015422 /nfs/dbraw/zinc/01/54/22/170015422.db2.gz OZBGYCILNZNQJM-LLVKDONJSA-N 2 1 211.353 0.670 10 0 BCAEMP CC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000038041450 170015424 /nfs/dbraw/zinc/01/54/24/170015424.db2.gz OZBGYCILNZNQJM-LLVKDONJSA-N 3 1 211.353 0.670 10 0 BCAEMP CC[N@H+]1CC[C@H](C[NH2+]C2CC[NH2+]CC2)C1 ZINC000038041450 170015425 /nfs/dbraw/zinc/01/54/25/170015425.db2.gz OZBGYCILNZNQJM-LLVKDONJSA-N 3 1 211.353 0.670 10 0 BCAEMP CC[N@H+]1CCc2nc(NC(N)=[NH2+])sc2C1 ZINC000034181817 170025411 /nfs/dbraw/zinc/02/54/11/170025411.db2.gz YFOHSVMOPDQBTG-UHFFFAOYSA-N 2 1 225.321 0.826 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794717 170095606 /nfs/dbraw/zinc/09/56/06/170095606.db2.gz CLGLQNBIMAWYHA-GRYCIOLGSA-N 2 1 241.379 0.831 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036794717 170095607 /nfs/dbraw/zinc/09/56/07/170095607.db2.gz CLGLQNBIMAWYHA-GRYCIOLGSA-N 2 1 241.379 0.831 10 0 BCAEMP CC[NH2+]C[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000061227022 170118389 /nfs/dbraw/zinc/11/83/89/170118389.db2.gz SBHCKODPSVPCSR-SNVBAGLBSA-N 2 1 213.325 0.006 10 0 BCAEMP CC[NH2+]C[C@@H](O)C[N@H+](C)CCc1ccncc1 ZINC000048259934 170118792 /nfs/dbraw/zinc/11/87/92/170118792.db2.gz XPSBFRVFUILTNH-CYBMUJFWSA-N 2 1 237.347 0.526 10 0 BCAEMP CC[NH2+]C[C@@H](O)C[N@@H+](C)CCc1ccncc1 ZINC000048259934 170118794 /nfs/dbraw/zinc/11/87/94/170118794.db2.gz XPSBFRVFUILTNH-CYBMUJFWSA-N 2 1 237.347 0.526 10 0 BCAEMP CC[NH2+]C[C@@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940399 170118817 /nfs/dbraw/zinc/11/88/17/170118817.db2.gz PDDBDHWZLXCGPM-CHWSQXEVSA-N 2 1 241.379 0.127 10 0 BCAEMP CC[NH2+]Cc1cn(CC[N@@H+](C)CC(C)C)nn1 ZINC000052452686 170129378 /nfs/dbraw/zinc/12/93/78/170129378.db2.gz RTEMYAXHJHYQIU-UHFFFAOYSA-N 2 1 239.367 0.975 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061274404 170138953 /nfs/dbraw/zinc/13/89/53/170138953.db2.gz TWJZHBRRVYFPRG-WDEREUQCSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+][C@H](CC[N@@H+]1CC[C@H](C)C[C@@H]1C)C(N)=O ZINC000062531409 170161462 /nfs/dbraw/zinc/16/14/62/170161462.db2.gz CDZHMDKHRAENNI-SDDRHHMPSA-N 2 1 241.379 0.960 10 0 BCAEMP CC[NH2+][C@H](CC[N@H+]1CC[C@H](C)C[C@@H]1C)C(N)=O ZINC000062531409 170161464 /nfs/dbraw/zinc/16/14/64/170161464.db2.gz CDZHMDKHRAENNI-SDDRHHMPSA-N 2 1 241.379 0.960 10 0 BCAEMP CCOCCC[NH+]1CCN(CCCC[NH3+])CC1 ZINC000087324965 170373994 /nfs/dbraw/zinc/37/39/94/170373994.db2.gz UVEOSRKRGZGBFE-UHFFFAOYSA-N 2 1 243.395 0.770 10 0 BCAEMP CCOCC[N@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000035358891 170397906 /nfs/dbraw/zinc/39/79/06/170397906.db2.gz FQYUKQVYNFCKIG-ZDUSSCGKSA-N 2 1 243.395 0.625 10 0 BCAEMP CCOCCN1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 ZINC000035358891 170397907 /nfs/dbraw/zinc/39/79/07/170397907.db2.gz FQYUKQVYNFCKIG-ZDUSSCGKSA-N 2 1 243.395 0.625 10 0 BCAEMP CCOCCN1CCC[N@@H+](C[C@@H](C)C[NH3+])CC1 ZINC000035358891 170397908 /nfs/dbraw/zinc/39/79/08/170397908.db2.gz FQYUKQVYNFCKIG-ZDUSSCGKSA-N 2 1 243.395 0.625 10 0 BCAEMP CCOCC[N@H+]1CCC[NH2+]C[C@@H](C)C1 ZINC000049662738 170398096 /nfs/dbraw/zinc/39/80/96/170398096.db2.gz IOIOFTZMFALQMV-LLVKDONJSA-N 2 1 200.326 0.954 10 0 BCAEMP c1cc2c(nc[nH+]c2NC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000420176654 411702298 /nfs/dbraw/zinc/70/22/98/411702298.db2.gz QNCDDGBGTRTENO-VIFPVBQESA-N 2 1 231.303 1.369 10 0 BCAEMP CC[C@H](C)[NH2+]CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000037617130 171338790 /nfs/dbraw/zinc/33/87/90/171338790.db2.gz SHAXEGUCBBUFRX-SDDRHHMPSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000104136080 171370350 /nfs/dbraw/zinc/37/03/50/171370350.db2.gz MWBOMKYVSLPQHK-SDDRHHMPSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000662448956 412178228 /nfs/dbraw/zinc/17/82/28/412178228.db2.gz RGRGZIBYTSIXKB-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662735705 412289299 /nfs/dbraw/zinc/28/92/99/412289299.db2.gz XBMRPGGGLNLYCI-DDHJBXDOSA-N 2 1 237.347 0.419 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662723912 412284611 /nfs/dbraw/zinc/28/46/11/412284611.db2.gz JQSCXYHICAVJGV-IJLUTSLNSA-N 2 1 239.363 0.666 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662621815 412244423 /nfs/dbraw/zinc/24/44/23/412244423.db2.gz LTTBJYAODDUCIR-QWRGUYRKSA-N 2 1 239.363 0.585 10 0 BCAEMP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299845 412248112 /nfs/dbraw/zinc/24/81/12/412248112.db2.gz UICXXRFQTXHVLX-UWVGGRQHSA-N 2 1 234.365 0.151 10 0 BCAEMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299844 412248564 /nfs/dbraw/zinc/24/85/64/412248564.db2.gz UICXXRFQTXHVLX-NXEZZACHSA-N 2 1 234.365 0.151 10 0 BCAEMP CC[C@]1(C[NH+](CCOC)CCOC)CC[NH2+]C1 ZINC000062911595 171722827 /nfs/dbraw/zinc/72/28/27/171722827.db2.gz OJYYQODPKGJWCN-ZDUSSCGKSA-N 2 1 244.379 0.971 10 0 BCAEMP C[NH+](C)CCCOc1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000103927327 172445523 /nfs/dbraw/zinc/44/55/23/172445523.db2.gz MKWAYZKGGXKSBB-LBPRGKRZSA-N 2 1 249.314 0.969 10 0 BCAEMP C[NH+]1CCC(C[NH3+])(N2CCC[N@@H+](C)CC2)CC1 ZINC000020217733 173015288 /nfs/dbraw/zinc/01/52/88/173015288.db2.gz KYERWLALTZZCAI-UHFFFAOYSA-N 3 1 240.395 0.047 10 0 BCAEMP C[N@H+]1CCCN(CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042171928 173015395 /nfs/dbraw/zinc/01/53/95/173015395.db2.gz RXWYKSYCIHNMFV-LBPRGKRZSA-N 2 1 211.353 0.766 10 0 BCAEMP C[N@H+]1CCCN(Cc2csc(C[NH3+])n2)CC1 ZINC000052424268 173016077 /nfs/dbraw/zinc/01/60/77/173016077.db2.gz ZCZKARNLRISVMG-UHFFFAOYSA-N 2 1 240.376 0.739 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000226083182 173031640 /nfs/dbraw/zinc/03/16/40/173031640.db2.gz DCNSTDOTIQHMRO-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CCC[C@H](C[NH2+]C(C)(C)CO)C1 ZINC000054240429 173041822 /nfs/dbraw/zinc/04/18/22/173041822.db2.gz AKHJHJUGNUHIOE-SNVBAGLBSA-N 2 1 200.326 0.689 10 0 BCAEMP C[NH+]1CCN(C[C@@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000037049792 173085804 /nfs/dbraw/zinc/08/58/04/173085804.db2.gz BDCWPWGFNKPARB-CQSZACIVSA-N 2 1 249.358 0.426 10 0 BCAEMP C[N@H+]1CCN(Cc2cc(C[NH3+])no2)CC1(C)C ZINC000104128698 173087513 /nfs/dbraw/zinc/08/75/13/173087513.db2.gz MFANNNVYGVBKLO-UHFFFAOYSA-N 2 1 238.335 0.659 10 0 BCAEMP C[NH+]1CCN(c2nc(C[NH3+])cs2)CC1 ZINC000070628755 173094350 /nfs/dbraw/zinc/09/43/50/173094350.db2.gz SALGQWLVQVNWPU-UHFFFAOYSA-N 2 1 212.322 0.354 10 0 BCAEMP C[NH+]1CCN([C@H](C[NH3+])c2ccccn2)CC1 ZINC000019385152 173094271 /nfs/dbraw/zinc/09/42/71/173094271.db2.gz DYBQAAHRLMQXJU-GFCCVEGCSA-N 2 1 220.320 0.329 10 0 BCAEMP C[NH+]1CCN([C@]2(C[NH3+])CCCSC2)CC1 ZINC000061589840 173094921 /nfs/dbraw/zinc/09/49/21/173094921.db2.gz JBGPGOFPVYVHNQ-NSHDSACASA-N 2 1 229.393 0.458 10 0 BCAEMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000044491481 173110856 /nfs/dbraw/zinc/11/08/56/173110856.db2.gz CHPVDPLGVYPYHS-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@H]1CCC[NH2+]C1 ZINC000250660066 173111513 /nfs/dbraw/zinc/11/15/13/173111513.db2.gz YOFKGTRXTLGWHO-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH2+]CC1 ZINC000071189692 173113455 /nfs/dbraw/zinc/11/34/55/173113455.db2.gz CYWFYNGLDCUTOF-LLVKDONJSA-N 2 1 239.363 0.396 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COC(C)(C)C)C1 ZINC000037894107 173114130 /nfs/dbraw/zinc/11/41/30/173114130.db2.gz DYDAWUGIQFYDRI-RYUDHWBXSA-N 2 1 244.379 0.704 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763520 173122457 /nfs/dbraw/zinc/12/24/57/173122457.db2.gz AKAZJWHQPMNIRB-SNVBAGLBSA-N 2 1 225.336 0.326 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)C1 ZINC000042543699 173124861 /nfs/dbraw/zinc/12/48/61/173124861.db2.gz GHCFCHITAYFAFV-GFCCVEGCSA-N 2 1 233.315 0.579 10 0 BCAEMP CN(C[C@@H]1CCCO1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990484 173135033 /nfs/dbraw/zinc/13/50/33/173135033.db2.gz LZRGXBVCOFRPEB-RYUDHWBXSA-N 2 1 227.352 0.130 10 0 BCAEMP CN(Cc1ccco1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990238 173136718 /nfs/dbraw/zinc/13/67/18/173136718.db2.gz SMYZHTMDPJLQMJ-LBPRGKRZSA-N 2 1 223.320 0.744 10 0 BCAEMP CN(Cc1ccco1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990238 173136720 /nfs/dbraw/zinc/13/67/20/173136720.db2.gz SMYZHTMDPJLQMJ-LBPRGKRZSA-N 2 1 223.320 0.744 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000044513058 173142031 /nfs/dbraw/zinc/14/20/31/173142031.db2.gz CFYMBTPWQQKQBY-NSHDSACASA-N 2 1 225.336 0.135 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000250612018 173145023 /nfs/dbraw/zinc/14/50/23/173145023.db2.gz MWUQYQUTDPHSBF-VWYCJHECSA-N 2 1 225.336 0.182 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136201486 173145686 /nfs/dbraw/zinc/14/56/86/173145686.db2.gz LRKXVBWEGBOLRX-DGCLKSJQSA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@@H+]1CC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353645 173147264 /nfs/dbraw/zinc/14/72/64/173147264.db2.gz DVOONZXAQMASAC-RWWNRMGGSA-N 2 1 230.377 0.439 10 0 BCAEMP C[N@H+]1CC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000042353645 173147265 /nfs/dbraw/zinc/14/72/65/173147265.db2.gz DVOONZXAQMASAC-RWWNRMGGSA-N 2 1 230.377 0.439 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)C1 ZINC000044763519 173150765 /nfs/dbraw/zinc/15/07/65/173150765.db2.gz AKAZJWHQPMNIRB-JTQLQIEISA-N 2 1 225.336 0.326 10 0 BCAEMP CN(CC(C)(C)C)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990721 173163739 /nfs/dbraw/zinc/16/37/39/173163739.db2.gz NSUHYOUHXMIMSS-GFCCVEGCSA-N 2 1 213.369 0.997 10 0 BCAEMP CNC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000037270056 173270886 /nfs/dbraw/zinc/27/08/86/173270886.db2.gz LEBZWPUYNCQSEH-GHMZBOCLSA-N 2 1 227.352 0.572 10 0 BCAEMP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037224638 173277726 /nfs/dbraw/zinc/27/77/26/173277726.db2.gz ZMPNSWAFDMOSMO-VHSXEESVSA-N 2 1 213.325 0.052 10 0 BCAEMP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037224638 173277727 /nfs/dbraw/zinc/27/77/27/173277727.db2.gz ZMPNSWAFDMOSMO-VHSXEESVSA-N 2 1 213.325 0.052 10 0 BCAEMP CNC(=O)[C@H]1CCCC[N@H+]1[C@@H](C)CC[NH3+] ZINC000042408662 173305789 /nfs/dbraw/zinc/30/57/89/173305789.db2.gz XEMAQJGYOFDPLP-VHSXEESVSA-N 2 1 213.325 0.324 10 0 BCAEMP C[NH2+]CC1(C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000061712129 173338155 /nfs/dbraw/zinc/33/81/55/173338155.db2.gz NMKQBYACIQMVCO-LLVKDONJSA-N 2 1 228.336 0.069 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@H+]1CCCSCC1 ZINC000042443834 173365106 /nfs/dbraw/zinc/36/51/06/173365106.db2.gz CERLSTQHLUUIRE-SECBINFHSA-N 2 1 204.339 0.006 10 0 BCAEMP C[NH2+]C[C@@H]1CC[C@@H](Cn2cc[nH+]c2C)O1 ZINC000052576178 173371780 /nfs/dbraw/zinc/37/17/80/173371780.db2.gz PRPKSSOFHFBZNH-QWRGUYRKSA-N 2 1 209.293 0.959 10 0 BCAEMP C[NH2+]C[C@@]1(CN2CCC[N@@H+](C)CC2)CCOC1 ZINC000051213794 173373092 /nfs/dbraw/zinc/37/30/92/173373092.db2.gz ILONFZLEIOZOFF-CYBMUJFWSA-N 2 1 241.379 0.250 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@@H](Cn2cc[nH+]c2C)O1 ZINC000052576176 173382684 /nfs/dbraw/zinc/38/26/84/173382684.db2.gz PRPKSSOFHFBZNH-MNOVXSKESA-N 2 1 209.293 0.959 10 0 BCAEMP C[NH2+]C[C@H]1CC[C@@H](C[N@H+]2CCOC(C)(C)C2)O1 ZINC000052481880 173382945 /nfs/dbraw/zinc/38/29/45/173382945.db2.gz OIDVUDJFGWTPQV-NEPJUHHUSA-N 2 1 242.363 0.864 10 0 BCAEMP COCCC[N@@H+](C)CCCC[C@@](C)([NH3+])C(N)=O ZINC000062034967 174216105 /nfs/dbraw/zinc/21/61/05/174216105.db2.gz ZNTHUKZEYAMXKQ-GFCCVEGCSA-N 2 1 245.367 0.328 10 0 BCAEMP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C[NH3+] ZINC000042455849 174243309 /nfs/dbraw/zinc/24/33/09/174243309.db2.gz HVJMHXPZYSWVIP-MNOVXSKESA-N 2 1 245.367 0.054 10 0 BCAEMP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] ZINC000042455849 174243310 /nfs/dbraw/zinc/24/33/10/174243310.db2.gz HVJMHXPZYSWVIP-MNOVXSKESA-N 2 1 245.367 0.054 10 0 BCAEMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[NH3+] ZINC000049475096 176070763 /nfs/dbraw/zinc/07/07/63/176070763.db2.gz VBWYYVICCVADRQ-SNVBAGLBSA-N 2 1 213.325 0.326 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000042354447 176096603 /nfs/dbraw/zinc/09/66/03/176096603.db2.gz ISFGQYBJRVGSCI-GFCCVEGCSA-N 2 1 239.363 0.540 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)CC(=O)N(C)C)C1 ZINC000037270182 176224650 /nfs/dbraw/zinc/22/46/50/176224650.db2.gz FESGJKDAPOGDRC-IJLUTSLNSA-N 2 1 241.379 0.770 10 0 BCAEMP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000111237446 176244839 /nfs/dbraw/zinc/24/48/39/176244839.db2.gz YLSNMPNZQCGKJG-LLVKDONJSA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[N@H+]1C ZINC000111237446 176244840 /nfs/dbraw/zinc/24/48/40/176244840.db2.gz YLSNMPNZQCGKJG-LLVKDONJSA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]1N(C)C ZINC000251713731 176293781 /nfs/dbraw/zinc/29/37/81/176293781.db2.gz JNWWTBULWSJRBE-FRRDWIJNSA-N 2 1 225.380 0.868 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000235303155 176330201 /nfs/dbraw/zinc/33/02/01/176330201.db2.gz QEKQUDJEPCJKGJ-JFGNBEQYSA-N 2 1 237.347 0.195 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCNC(=O)[C@@H]2C)C1 ZINC000104129114 177060702 /nfs/dbraw/zinc/06/07/02/177060702.db2.gz BWZABLHZHVIEEF-WRWGMCAJSA-N 2 1 239.363 0.570 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+]2CCNC(=O)[C@@H]2C)C1 ZINC000104129114 177060703 /nfs/dbraw/zinc/06/07/03/177060703.db2.gz BWZABLHZHVIEEF-WRWGMCAJSA-N 2 1 239.363 0.570 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[NH3+] ZINC000049475098 177075409 /nfs/dbraw/zinc/07/54/09/177075409.db2.gz VBWYYVICCVADRQ-JTQLQIEISA-N 2 1 213.325 0.326 10 0 BCAEMP C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000050228195 177186986 /nfs/dbraw/zinc/18/69/86/177186986.db2.gz SUDNSPPIAKVUFA-USZNOCQGSA-N 2 1 239.363 0.807 10 0 BCAEMP C[C@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000221326984 177187023 /nfs/dbraw/zinc/18/70/23/177187023.db2.gz CIPZBICXPDBZHP-GRYCIOLGSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@H]1CC[C@H](C(=O)N2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000055122073 177196711 /nfs/dbraw/zinc/19/67/11/177196711.db2.gz QZBINSZTMQHTII-SRVKXCTJSA-N 2 1 239.363 0.524 10 0 BCAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cnn(C)c1 ZINC000050540134 177200744 /nfs/dbraw/zinc/20/07/44/177200744.db2.gz DSCLETNBHSMZDY-WDEREUQCSA-N 2 1 222.336 0.979 10 0 BCAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000042427415 177201255 /nfs/dbraw/zinc/20/12/55/177201255.db2.gz DMGYJROMOLJUHY-QWHCGFSZSA-N 2 1 241.379 0.378 10 0 BCAEMP C[C@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)CCCO1 ZINC000061918628 177245759 /nfs/dbraw/zinc/24/57/59/177245759.db2.gz YFDAEOQNGKHIQN-NSHDSACASA-N 2 1 228.336 0.212 10 0 BCAEMP C[C@H]1CN(Cc2cccnc2C[NH3+])CC[N@H+]1C ZINC000104142805 177266618 /nfs/dbraw/zinc/26/66/18/177266618.db2.gz RQWYNDWVVCKXJB-NSHDSACASA-N 2 1 234.347 0.676 10 0 BCAEMP C[C@H]1C[NH2+]CCCN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666495 177281571 /nfs/dbraw/zinc/28/15/71/177281571.db2.gz ACWQYNOTBJGKAC-QWHCGFSZSA-N 2 1 225.380 0.870 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@H+](C[C@@H]2CC[NH+](C)C2)C1 ZINC000049666495 177281573 /nfs/dbraw/zinc/28/15/73/177281573.db2.gz ACWQYNOTBJGKAC-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[C@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CC[NH+](C)C2)C1 ZINC000049666495 177281574 /nfs/dbraw/zinc/28/15/74/177281574.db2.gz ACWQYNOTBJGKAC-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[C@H]1C[NH2+]CCC[NH+](C[C@@H]2CC[N@H+](C)C2)C1 ZINC000049666495 177281576 /nfs/dbraw/zinc/28/15/76/177281576.db2.gz ACWQYNOTBJGKAC-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[C@H]1C[NH2+]CCC[NH+](C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000049666495 177281578 /nfs/dbraw/zinc/28/15/78/177281578.db2.gz ACWQYNOTBJGKAC-QWHCGFSZSA-N 3 1 225.380 0.870 10 0 BCAEMP C[C@H]1CNCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526812 177282981 /nfs/dbraw/zinc/28/29/81/177282981.db2.gz DWFNXABMEVGRAE-LBPRGKRZSA-N 2 1 225.380 0.870 10 0 BCAEMP C[C@H]1CNCC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000044526812 177282983 /nfs/dbraw/zinc/28/29/83/177282983.db2.gz DWFNXABMEVGRAE-LBPRGKRZSA-N 2 1 225.380 0.870 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C[C@@H]2COCCO2)C1 ZINC000049666994 177285208 /nfs/dbraw/zinc/28/52/08/177285208.db2.gz PEJMGVBPHHJQDM-FRRDWIJNSA-N 2 1 242.363 0.579 10 0 BCAEMP C[C@H]1COCC[N@@H+]1CC1(C[NH3+])CCOCC1 ZINC000052181622 177290659 /nfs/dbraw/zinc/29/06/59/177290659.db2.gz UVGUKLXWXMYILA-NSHDSACASA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@H]1COCC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052181622 177290660 /nfs/dbraw/zinc/29/06/60/177290660.db2.gz UVGUKLXWXMYILA-NSHDSACASA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000038060879 177369992 /nfs/dbraw/zinc/36/99/92/177369992.db2.gz KMEHOFPZBWQXGE-XQHKEYJVSA-N 2 1 242.363 0.720 10 0 BCAEMP C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000037758682 177387281 /nfs/dbraw/zinc/38/72/81/177387281.db2.gz OCYWKTDVCGEFJQ-USZNOCQGSA-N 2 1 237.347 0.147 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000228486792 487657453 /nfs/dbraw/zinc/65/74/53/487657453.db2.gz IVADIGIGUAKRJY-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP Cn1c[nH+]cc1CCCN1CCC[C@H]1C[NH3+] ZINC000315072423 487670692 /nfs/dbraw/zinc/67/06/92/487670692.db2.gz LWYZJXWHOBPDJE-NSHDSACASA-N 2 1 222.336 0.776 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073612 487681705 /nfs/dbraw/zinc/68/17/05/487681705.db2.gz VTGTYPJGAXWSJR-OUAUKWLOSA-N 2 1 225.336 0.337 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188746450 487682316 /nfs/dbraw/zinc/68/23/16/487682316.db2.gz ZBZOGMZVEZPTTK-OUAUKWLOSA-N 2 1 243.326 0.144 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@@H]1C ZINC000384894036 487753994 /nfs/dbraw/zinc/75/39/94/487753994.db2.gz LQDKPSIXIBWUHG-RWMBFGLXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@@H]1C ZINC000384894036 487753999 /nfs/dbraw/zinc/75/39/99/487753999.db2.gz LQDKPSIXIBWUHG-RWMBFGLXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@@H]1C ZINC000384894036 487754002 /nfs/dbraw/zinc/75/40/02/487754002.db2.gz LQDKPSIXIBWUHG-RWMBFGLXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384894036 487754005 /nfs/dbraw/zinc/75/40/05/487754005.db2.gz LQDKPSIXIBWUHG-RWMBFGLXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384894036 487754012 /nfs/dbraw/zinc/75/40/12/487754012.db2.gz LQDKPSIXIBWUHG-RWMBFGLXSA-N 2 1 244.379 0.533 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089449815 487816778 /nfs/dbraw/zinc/81/67/78/487816778.db2.gz BESPJRYKIPFIBA-NWDGAFQWSA-N 2 1 239.363 0.526 10 0 BCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000252651290 487828233 /nfs/dbraw/zinc/82/82/33/487828233.db2.gz HCSXGRKUJOKGLN-SRVKXCTJSA-N 2 1 239.363 0.585 10 0 BCAEMP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000645943528 487853744 /nfs/dbraw/zinc/85/37/44/487853744.db2.gz QWLSLNTVPAXGOE-GHMZBOCLSA-N 2 1 237.347 0.291 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456204 487909565 /nfs/dbraw/zinc/90/95/65/487909565.db2.gz ZZJUGIAPPRAIBZ-GARJFASQSA-N 2 1 225.336 0.289 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000235300547 487940816 /nfs/dbraw/zinc/94/08/16/487940816.db2.gz BIDIYIDSLZJQMD-OUAUKWLOSA-N 2 1 225.336 0.052 10 0 BCAEMP OC1CC(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000309251207 323332209 /nfs/dbraw/zinc/33/22/09/323332209.db2.gz NCQJNMGZOFKZQY-UHFFFAOYSA-N 2 1 224.348 0.974 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157869687 326298745 /nfs/dbraw/zinc/29/87/45/326298745.db2.gz QBTHYYJPHZBXBS-BBBLOLIVSA-N 2 1 213.325 0.193 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000310089783 487982520 /nfs/dbraw/zinc/98/25/20/487982520.db2.gz QFVFJEUSZMZVSU-GRYCIOLGSA-N 2 1 239.363 0.680 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH2+]C)C1 ZINC000389150291 488078455 /nfs/dbraw/zinc/07/84/55/488078455.db2.gz JFOAAVXAXUYPQT-NXEZZACHSA-N 2 1 213.325 0.195 10 0 BCAEMP COCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136454803 488103523 /nfs/dbraw/zinc/10/35/23/488103523.db2.gz YIEDWVOQQYRJPZ-LLVKDONJSA-N 2 1 245.367 0.054 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000389753422 488109218 /nfs/dbraw/zinc/10/92/18/488109218.db2.gz QNSZUFLTOWHCAK-GRYCIOLGSA-N 2 1 239.363 0.442 10 0 BCAEMP COC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000308791171 487494330 /nfs/dbraw/zinc/49/43/30/487494330.db2.gz BBRGUJAIRFWXAD-GHMZBOCLSA-N 2 1 218.341 0.312 10 0 BCAEMP COC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000308791171 487494332 /nfs/dbraw/zinc/49/43/32/487494332.db2.gz BBRGUJAIRFWXAD-GHMZBOCLSA-N 2 1 218.341 0.312 10 0 BCAEMP [NH3+]C1(CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000094294573 487526407 /nfs/dbraw/zinc/52/64/07/487526407.db2.gz 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/nfs/dbraw/zinc/13/72/55/491137255.db2.gz ITKABOFFSNLBRC-SNVBAGLBSA-N 2 1 200.326 0.831 10 0 BCAEMP C[C@H]1C[N@@H+](CCCCCCO)C[C@H]1[NH3+] ZINC000300334410 582518684 /nfs/dbraw/zinc/51/86/84/582518684.db2.gz NFXFYBCZYJKODP-WDEREUQCSA-N 2 1 200.326 0.818 10 0 BCAEMP C1Cc2[nH]nc(C3CC[NH2+]CC3)c2C[NH2+]1 ZINC000757168158 582549645 /nfs/dbraw/zinc/54/96/45/582549645.db2.gz AEZBEZSKVSGBKW-UHFFFAOYSA-N 2 1 206.293 0.522 10 0 BCAEMP CC(C)N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261548260 534969089 /nfs/dbraw/zinc/96/90/89/534969089.db2.gz JGOVOEPJLDPFRX-QJPTWQEYSA-N 2 1 239.363 0.522 10 0 BCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263314944 535504257 /nfs/dbraw/zinc/50/42/57/535504257.db2.gz QBYSPRNLJOWQLB-NSHDSACASA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[NH+](C)C ZINC000177423909 535545406 /nfs/dbraw/zinc/54/54/06/535545406.db2.gz ZORNGBYQEDJLNI-LLVKDONJSA-N 2 1 227.352 0.491 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[NH+](C)C ZINC000177423909 535545410 /nfs/dbraw/zinc/54/54/10/535545410.db2.gz ZORNGBYQEDJLNI-LLVKDONJSA-N 2 1 227.352 0.491 10 0 BCAEMP C[NH+](C)CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252863146 535833679 /nfs/dbraw/zinc/83/36/79/535833679.db2.gz KZPAAQNSPAQXPD-SDDRHHMPSA-N 2 1 212.337 0.641 10 0 BCAEMP C[NH+](C)CCN1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035081339 535875249 /nfs/dbraw/zinc/87/52/49/535875249.db2.gz KUOAGVPWUTXYMG-UHFFFAOYSA-N 2 1 249.362 0.347 10 0 BCAEMP CC[N@@H+]1CCO[C@H](Cn2cc[nH+]c2N)C1 ZINC000702470768 582926415 /nfs/dbraw/zinc/92/64/15/582926415.db2.gz FWPGACOCEUIFJH-VIFPVBQESA-N 2 1 210.281 0.186 10 0 BCAEMP CC[N@H+]1CCO[C@H](Cn2cc[nH+]c2N)C1 ZINC000702470768 582926417 /nfs/dbraw/zinc/92/64/17/582926417.db2.gz FWPGACOCEUIFJH-VIFPVBQESA-N 2 1 210.281 0.186 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000261533937 536374140 /nfs/dbraw/zinc/37/41/40/536374140.db2.gz LULKURQZZRDSQR-VWYCJHECSA-N 2 1 225.336 0.324 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261541549 536391301 /nfs/dbraw/zinc/39/13/01/536391301.db2.gz BHQAISVPGMWZLQ-NEPJUHHUSA-N 2 1 239.363 0.729 10 0 BCAEMP C[NH+]1CCN(c2ccc(C[NH2+]C3CC3)nn2)CC1 ZINC000051399556 536421614 /nfs/dbraw/zinc/42/16/14/536421614.db2.gz OUTONKFRWVVHQX-UHFFFAOYSA-N 2 1 247.346 0.480 10 0 BCAEMP C[C@H]([C@@H]([NH3+])C(N)=O)n1cc[nH+]c1C1CC1 ZINC000704164042 582938493 /nfs/dbraw/zinc/93/84/93/582938493.db2.gz CVXCBBCQWREJOZ-HTRCEHHLSA-N 2 1 208.265 0.134 10 0 BCAEMP OCC[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000310041423 566323471 /nfs/dbraw/zinc/32/34/71/566323471.db2.gz YQASQWWIIOXDFO-UHFFFAOYSA-N 2 1 223.320 0.561 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2CC[C@H](C[NH3+])[NH2+]C2)cc1 ZINC000757207757 586438100 /nfs/dbraw/zinc/43/81/00/586438100.db2.gz BUVVCPGJQOGJHT-CHWSQXEVSA-N 3 1 219.332 0.940 10 0 BCAEMP N[C@H]1CCC[NH2+][C@H]1c1cccc(C[NH3+])c1 ZINC000757215169 586440224 /nfs/dbraw/zinc/44/02/24/586440224.db2.gz NIOPPBSWFWPYQV-RYUDHWBXSA-N 2 1 205.305 0.897 10 0 BCAEMP N[C@@H]1CCC[NH2+][C@@H]1c1ccc(C[NH3+])cc1 ZINC000757216543 586441066 /nfs/dbraw/zinc/44/10/66/586441066.db2.gz QGNAMZHSMPCNPH-VXGBXAGGSA-N 2 1 205.305 0.897 10 0 BCAEMP N[C@H]1C[NH2+]C[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757218272 586441633 /nfs/dbraw/zinc/44/16/33/586441633.db2.gz UUEXSSMNGSCJDS-VXGBXAGGSA-N 2 1 205.305 0.550 10 0 BCAEMP N[C@@H]1C[NH2+]C[C@H](c2cccc(C[NH3+])c2)C1 ZINC000757218269 586441772 /nfs/dbraw/zinc/44/17/72/586441772.db2.gz UUEXSSMNGSCJDS-NEPJUHHUSA-N 2 1 205.305 0.550 10 0 BCAEMP N[C@@H]1C[NH2+]C[C@@H](c2cccc(C[NH3+])c2)C1 ZINC000757218271 586441928 /nfs/dbraw/zinc/44/19/28/586441928.db2.gz UUEXSSMNGSCJDS-RYUDHWBXSA-N 2 1 205.305 0.550 10 0 BCAEMP Cc1ccc(N)cc1[C@@H]1C[NH2+]C[C@@H]([NH3+])C1 ZINC000757237579 586443980 /nfs/dbraw/zinc/44/39/80/586443980.db2.gz QGEZXEFANQUHAQ-ONGXEEELSA-N 2 1 205.305 0.981 10 0 BCAEMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)CO ZINC000314063227 634601645 /nfs/dbraw/zinc/60/16/45/634601645.db2.gz YONAZYSZFPHHAI-UHFFFAOYSA-N 2 1 211.309 0.713 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790569 631463483 /nfs/dbraw/zinc/46/34/83/631463483.db2.gz IICFAUMZYBDPBP-MNOVXSKESA-N 2 1 228.336 0.210 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790569 631463488 /nfs/dbraw/zinc/46/34/88/631463488.db2.gz IICFAUMZYBDPBP-MNOVXSKESA-N 2 1 228.336 0.210 10 0 BCAEMP C[C@H](CCO)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000308845933 631691386 /nfs/dbraw/zinc/69/13/86/631691386.db2.gz METGIJKBAJFQES-NXEZZACHSA-N 2 1 209.293 0.558 10 0 BCAEMP CCc1[nH+]ccn1CC[C@@](C)([NH2+]C)C(N)=O ZINC000045460682 631837433 /nfs/dbraw/zinc/83/74/33/631837433.db2.gz FUSZVZVHQIZUHA-LLVKDONJSA-N 2 1 224.308 0.299 10 0 BCAEMP Cc1[nH+]cn(CCC[C@@](C)([NH3+])C(N)=O)c1C ZINC000051928086 632764873 /nfs/dbraw/zinc/76/48/73/632764873.db2.gz WAAGFNRRLHPUHZ-LLVKDONJSA-N 2 1 224.308 0.483 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310450186 634149034 /nfs/dbraw/zinc/14/90/34/634149034.db2.gz VJMOEAXFCWUKTN-LOWDOPEQSA-N 2 1 242.363 0.441 10 0 BCAEMP [NH3+]C1CC(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000259104243 635240861 /nfs/dbraw/zinc/24/08/61/635240861.db2.gz FTWOWQKZICZVIG-VQXHTEKXSA-N 2 1 223.320 0.030 10 0 BCAEMP CC[NH2+][C@](C)(CCn1cc[nH+]c1C)C(N)=O ZINC000045433127 640557401 /nfs/dbraw/zinc/55/74/01/640557401.db2.gz MTIQUSIQNJAJKO-LLVKDONJSA-N 2 1 224.308 0.435 10 0 BCAEMP CC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226465639 640767915 /nfs/dbraw/zinc/76/79/15/640767915.db2.gz OMQFGQKGTARFOC-MNOVXSKESA-N 2 1 200.326 0.831 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000227650134 640844069 /nfs/dbraw/zinc/84/40/69/640844069.db2.gz SROASJUHWMWNBK-JHJVBQTASA-N 2 1 223.364 0.907 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227911465 640853960 /nfs/dbraw/zinc/85/39/60/640853960.db2.gz HTBVBASPNMSGFJ-YNEHKIRRSA-N 2 1 244.379 0.976 10 0 BCAEMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967129 /nfs/dbraw/zinc/96/71/29/640967129.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967131 /nfs/dbraw/zinc/96/71/31/640967131.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967133 /nfs/dbraw/zinc/96/71/33/640967133.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599191 640967135 /nfs/dbraw/zinc/96/71/35/640967135.db2.gz YGQZMLCAPAZOAJ-UPJWGTAASA-N 2 1 244.379 0.390 10 0 BCAEMP CC[NH2+][C@@H](CCn1c[nH+]c(C)c1C)C(N)=O ZINC000062538594 641056375 /nfs/dbraw/zinc/05/63/75/641056375.db2.gz ULRZEPANGLQZTC-JTQLQIEISA-N 2 1 224.308 0.353 10 0 BCAEMP Cc1[nH+]ccn1CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000062535105 641057663 /nfs/dbraw/zinc/05/76/63/641057663.db2.gz DUUCOTCYAHOYGK-SNVBAGLBSA-N 2 1 222.292 0.188 10 0 BCAEMP CC(C)c1[nH+]ccn1CC[C@@H]([NH3+])C(N)=O ZINC000062534374 641058378 /nfs/dbraw/zinc/05/83/78/641058378.db2.gz IYTWWRWSBCQFCK-MRVPVSSYSA-N 2 1 210.281 0.209 10 0 BCAEMP C[N@@H+](CCn1cccn1)[C@H]1CCC[NH2+]CC1 ZINC000231668180 641191970 /nfs/dbraw/zinc/19/19/70/641191970.db2.gz QIQQEMCFJYNAPB-LBPRGKRZSA-N 2 1 222.336 0.957 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000069660958 642893487 /nfs/dbraw/zinc/89/34/87/642893487.db2.gz KKOWWNGBLGCSNA-GHMZBOCLSA-N 2 1 216.325 0.053 10 0 BCAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COC(C)C)C1 ZINC000070100122 642968247 /nfs/dbraw/zinc/96/82/47/642968247.db2.gz KLCHENFXIDUUJP-OLZOCXBDSA-N 2 1 244.379 0.704 10 0 BCAEMP CC[NH2+]CCNc1cc[nH+]c(N(C)C)n1 ZINC000082924371 643388820 /nfs/dbraw/zinc/38/88/20/643388820.db2.gz NUHNADGZYPVVPQ-UHFFFAOYSA-N 2 1 209.297 0.564 10 0 BCAEMP CCN(c1cc[nH+]c(N(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000085432152 644440893 /nfs/dbraw/zinc/44/08/93/644440893.db2.gz TVBHDPBDEVOETC-JTQLQIEISA-N 2 1 235.335 0.731 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000094447138 644719167 /nfs/dbraw/zinc/71/91/67/644719167.db2.gz RYRGPLUZRAKPGS-IJLUTSLNSA-N 2 1 239.363 0.809 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000094646926 644723282 /nfs/dbraw/zinc/72/32/82/644723282.db2.gz YVEACNMOXWLFBK-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[NH2+]CC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000250664821 644774988 /nfs/dbraw/zinc/77/49/88/644774988.db2.gz RHHUJUOGCGZBED-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP C([C@H]1CCCO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000251156879 644795476 /nfs/dbraw/zinc/79/54/76/644795476.db2.gz KULSVZKPUVSJIK-CHWSQXEVSA-N 2 1 239.363 0.145 10 0 BCAEMP C([C@@H]1CCCO1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000251156885 644795681 /nfs/dbraw/zinc/79/56/81/644795681.db2.gz KULSVZKPUVSJIK-OLZOCXBDSA-N 2 1 239.363 0.145 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544553 644865368 /nfs/dbraw/zinc/86/53/68/644865368.db2.gz IICFAUMZYBDPBP-WDEREUQCSA-N 2 1 228.336 0.210 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544553 644865372 /nfs/dbraw/zinc/86/53/72/644865372.db2.gz IICFAUMZYBDPBP-WDEREUQCSA-N 2 1 228.336 0.210 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253169661 644941681 /nfs/dbraw/zinc/94/16/81/644941681.db2.gz DJCHWINMGNDUGA-NWDGAFQWSA-N 2 1 230.352 0.441 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253169661 644941682 /nfs/dbraw/zinc/94/16/82/644941682.db2.gz DJCHWINMGNDUGA-NWDGAFQWSA-N 2 1 230.352 0.441 10 0 BCAEMP CCN1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1=O ZINC000722361007 711748948 /nfs/dbraw/zinc/74/89/48/711748948.db2.gz DXVCGGOSXZWRTO-NSHDSACASA-N 2 1 225.336 0.339 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830378 712200117 /nfs/dbraw/zinc/20/01/17/712200117.db2.gz LZYCKTHJPXSTMH-RWMBFGLXSA-N 2 1 244.379 0.691 10 0 BCAEMP COCC(COC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708853620 712201171 /nfs/dbraw/zinc/20/11/71/712201171.db2.gz SQIZZTONWGZRLA-VHSXEESVSA-N 2 1 216.325 0.174 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CO)C1 ZINC000708575107 712213621 /nfs/dbraw/zinc/21/36/21/712213621.db2.gz GRMMAFULCNZIBB-FRRDWIJNSA-N 2 1 244.379 0.248 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708575107 712213624 /nfs/dbraw/zinc/21/36/24/712213624.db2.gz GRMMAFULCNZIBB-FRRDWIJNSA-N 2 1 244.379 0.248 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000708575107 712213628 /nfs/dbraw/zinc/21/36/28/712213628.db2.gz GRMMAFULCNZIBB-FRRDWIJNSA-N 2 1 244.379 0.248 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712565358 712446284 /nfs/dbraw/zinc/44/62/84/712446284.db2.gz XKVIRGUVFAZDMV-LBPRGKRZSA-N 2 1 244.379 0.846 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000712565358 712446285 /nfs/dbraw/zinc/44/62/85/712446285.db2.gz XKVIRGUVFAZDMV-LBPRGKRZSA-N 2 1 244.379 0.846 10 0 BCAEMP C[C@@H]1C[N@@H+](CCO[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000724945017 710750429 /nfs/dbraw/zinc/75/04/29/710750429.db2.gz WAAMRCVWVFTJON-WOPDTQHZSA-N 2 1 228.336 0.319 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723868588 711540840 /nfs/dbraw/zinc/54/08/40/711540840.db2.gz JNNKIZSLIPNYKR-UTUOFQBUSA-N 2 1 230.352 0.299 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCO[C@H]3CCOC3)C[C@@H]12 ZINC000724919774 711628151 /nfs/dbraw/zinc/62/81/51/711628151.db2.gz AGYOJVPDEKJSGF-YVECIDJPSA-N 2 1 240.347 0.461 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709017030 711976756 /nfs/dbraw/zinc/97/67/56/711976756.db2.gz VBBMVPWUEXTGQZ-QWHCGFSZSA-N 2 1 244.379 0.976 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709017030 711976757 /nfs/dbraw/zinc/97/67/57/711976757.db2.gz VBBMVPWUEXTGQZ-QWHCGFSZSA-N 2 1 244.379 0.976 10 0 BCAEMP CSC1CC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000708272350 712185025 /nfs/dbraw/zinc/18/50/25/712185025.db2.gz AKSVTGOCRGQFCZ-CKBZRRDASA-N 2 1 244.404 0.925 10 0 BCAEMP CSC1CC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000708272350 712185027 /nfs/dbraw/zinc/18/50/27/712185027.db2.gz AKSVTGOCRGQFCZ-CKBZRRDASA-N 2 1 244.404 0.925 10 0 BCAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCCO1)C2 ZINC000709820194 712227914 /nfs/dbraw/zinc/22/79/14/712227914.db2.gz BCYVIVRWWAZKRA-WHOHXGKFSA-N 2 1 210.321 0.977 10 0 BCAEMP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000709849410 712229912 /nfs/dbraw/zinc/22/99/12/712229912.db2.gz WIODDPZOCFZPKQ-AGIUHOORSA-N 2 1 224.348 0.831 10 0 BCAEMP OCC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000379565514 712388031 /nfs/dbraw/zinc/38/80/31/712388031.db2.gz GADSBJBXRYINGG-STQMWFEESA-N 2 1 242.363 0.147 10 0 BCAEMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585082 712854884 /nfs/dbraw/zinc/85/48/84/712854884.db2.gz VJMMCIDETCZBPJ-IVZWLZJFSA-N 2 1 223.324 0.736 10 0 BCAEMP CC1(C)CN(c2cc[nH+]cc2C(N)=O)C[C@H]1[NH3+] ZINC000720754505 712863574 /nfs/dbraw/zinc/86/35/74/712863574.db2.gz DPJZPQDTJHGOMV-SNVBAGLBSA-N 2 1 234.303 0.354 10 0 BCAEMP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685953487 538897840 /nfs/dbraw/zinc/89/78/40/538897840.db2.gz HTVPHQJOTMNBKU-OLZOCXBDSA-N 2 1 223.364 0.894 10 0 BCAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685953487 538897841 /nfs/dbraw/zinc/89/78/41/538897841.db2.gz HTVPHQJOTMNBKU-OLZOCXBDSA-N 2 1 223.364 0.894 10 0 BCAEMP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685953484 538898268 /nfs/dbraw/zinc/89/82/68/538898268.db2.gz HTVPHQJOTMNBKU-CHWSQXEVSA-N 2 1 223.364 0.894 10 0 BCAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@]12CN1CCC2CC1 ZINC000685953484 538898270 /nfs/dbraw/zinc/89/82/70/538898270.db2.gz HTVPHQJOTMNBKU-CHWSQXEVSA-N 2 1 223.364 0.894 10 0 BCAEMP CCN1CCO[C@@H](Cn2cnc(N)c2)C1 ZINC000685964198 538911149 /nfs/dbraw/zinc/91/11/49/538911149.db2.gz LECSOOMEDPOAJH-SECBINFHSA-N 2 1 210.281 0.186 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000378698960 346811054 /nfs/dbraw/zinc/81/10/54/346811054.db2.gz HYHBCVXSNATMFZ-SNVBAGLBSA-N 2 1 225.336 0.291 10 0 BCAEMP Cc1cc(N2CC[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000050249509 178117882 /nfs/dbraw/zinc/11/78/82/178117882.db2.gz SXHVOURNACIKBT-JTQLQIEISA-N 2 1 206.293 0.878 10 0 BCAEMP O[C@]1(C2C[NH2+]C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000306606202 398220478 /nfs/dbraw/zinc/22/04/78/398220478.db2.gz RGCPQEHSBPPBOK-CQSZACIVSA-N 2 1 232.327 0.843 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000381074185 398222978 /nfs/dbraw/zinc/22/29/78/398222978.db2.gz PIAJMDABCUFGRN-QJPTWQEYSA-N 2 1 230.352 0.456 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000381074185 398222981 /nfs/dbraw/zinc/22/29/81/398222981.db2.gz PIAJMDABCUFGRN-QJPTWQEYSA-N 2 1 230.352 0.456 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000381074182 398223277 /nfs/dbraw/zinc/22/32/77/398223277.db2.gz PIAJMDABCUFGRN-IJLUTSLNSA-N 2 1 230.352 0.456 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000381074182 398223281 /nfs/dbraw/zinc/22/32/81/398223281.db2.gz PIAJMDABCUFGRN-IJLUTSLNSA-N 2 1 230.352 0.456 10 0 BCAEMP C[C@H]1CCSCC[N@H+]1C[C@@H](O)C[NH3+] ZINC000306642188 361758207 /nfs/dbraw/zinc/75/82/07/361758207.db2.gz RYLDKABUXWSVRP-IUCAKERBSA-N 2 1 204.339 0.133 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000092630193 398235630 /nfs/dbraw/zinc/23/56/30/398235630.db2.gz MPAIKBUXONYRDA-RYUDHWBXSA-N 2 1 241.379 0.912 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]12 ZINC000381555683 398263147 /nfs/dbraw/zinc/26/31/47/398263147.db2.gz OMXRGFUWHXJHKY-WISYIIOYSA-N 3 1 209.337 0.265 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@H]12 ZINC000381555683 398263148 /nfs/dbraw/zinc/26/31/48/398263148.db2.gz OMXRGFUWHXJHKY-WISYIIOYSA-N 2 1 209.337 0.265 10 0 BCAEMP Nc1cc[nH+]cc1C(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000226561028 342829141 /nfs/dbraw/zinc/82/91/41/342829141.db2.gz KFZXFKJXJQWVMM-JGVFFNPUSA-N 2 1 203.245 0.750 10 0 BCAEMP OCC[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000381565212 539003483 /nfs/dbraw/zinc/00/34/83/539003483.db2.gz SZUYNOWEWIBLSZ-LLVKDONJSA-N 2 1 244.404 0.786 10 0 BCAEMP OCC[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000381565213 539003791 /nfs/dbraw/zinc/00/37/91/539003791.db2.gz SZUYNOWEWIBLSZ-NSHDSACASA-N 2 1 244.404 0.786 10 0 BCAEMP CC[C@@H](COC)[NH2+]C1CC[NH+](CCO)CC1 ZINC000381409966 539000389 /nfs/dbraw/zinc/00/03/89/539000389.db2.gz UFJSNEUSQQWQKV-NSHDSACASA-N 2 1 230.352 0.458 10 0 BCAEMP C[N@@H+](CCOCC[NH3+])[C@H]1CCC[NH2+]CC1 ZINC000309733751 342839503 /nfs/dbraw/zinc/83/95/03/342839503.db2.gz BUJAHXYBIVOHMC-NSHDSACASA-N 3 1 215.341 0.036 10 0 BCAEMP CN(CCOCC[NH3+])[C@H]1CCC[NH2+]CC1 ZINC000309733751 342839505 /nfs/dbraw/zinc/83/95/05/342839505.db2.gz BUJAHXYBIVOHMC-NSHDSACASA-N 2 1 215.341 0.036 10 0 BCAEMP C[NH+](C)[C@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302126704 398325120 /nfs/dbraw/zinc/32/51/20/398325120.db2.gz ARZLPXHTNKBEIA-VIFPVBQESA-N 2 1 234.303 0.321 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CC=CCC1 ZINC000392875371 398335880 /nfs/dbraw/zinc/33/58/80/398335880.db2.gz LPWHTUQGSICXMV-LBPRGKRZSA-N 2 1 239.363 0.738 10 0 BCAEMP C[C@H](C(N)=S)[N@H+](C)C1CC[NH+](C)CC1 ZINC000043513889 343115780 /nfs/dbraw/zinc/11/57/80/343115780.db2.gz MJRIDPGRAZYPNO-MRVPVSSYSA-N 2 1 215.366 0.687 10 0 BCAEMP C[C@H](C(N)=S)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000043513889 343115781 /nfs/dbraw/zinc/11/57/81/343115781.db2.gz MJRIDPGRAZYPNO-MRVPVSSYSA-N 2 1 215.366 0.687 10 0 BCAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC(C)(C)O ZINC000070822837 343341383 /nfs/dbraw/zinc/34/13/83/343341383.db2.gz RWSPPSYIESEFKR-JTQLQIEISA-N 2 1 200.326 0.641 10 0 BCAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC(C)(C)O ZINC000070822837 343341385 /nfs/dbraw/zinc/34/13/85/343341385.db2.gz RWSPPSYIESEFKR-JTQLQIEISA-N 2 1 200.326 0.641 10 0 BCAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC(C)(C)O ZINC000070822837 343341386 /nfs/dbraw/zinc/34/13/86/343341386.db2.gz RWSPPSYIESEFKR-JTQLQIEISA-N 2 1 200.326 0.641 10 0 BCAEMP C[NH+]1CCN(c2ncc(C[NH3+])s2)CC1 ZINC000039280003 343387802 /nfs/dbraw/zinc/38/78/02/343387802.db2.gz WGGLQQJFQMXTRB-UHFFFAOYSA-N 2 1 212.322 0.354 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000082419903 343440773 /nfs/dbraw/zinc/44/07/73/343440773.db2.gz IATIHBVQQNUZMO-SECBINFHSA-N 2 1 200.282 0.091 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CC2)C1 ZINC000083835285 343503785 /nfs/dbraw/zinc/50/37/85/343503785.db2.gz FHKWTCMUSAFBEK-VIFPVBQESA-N 2 1 211.309 0.078 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH3+] ZINC000086188176 343613161 /nfs/dbraw/zinc/61/31/61/343613161.db2.gz JGAFDSVSMBASFY-SNVBAGLBSA-N 2 1 213.325 0.278 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)[NH3+] ZINC000086188865 343613939 /nfs/dbraw/zinc/61/39/39/343613939.db2.gz PZGFLEBUPBKANG-UWVGGRQHSA-N 2 1 213.325 0.276 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262655742 349861487 /nfs/dbraw/zinc/86/14/87/349861487.db2.gz UIKLOXWRYFBRQR-NHCYSSNCSA-N 2 1 239.363 0.855 10 0 BCAEMP CC[NH2+]CCCNc1cc[nH+]c(N(C)C)n1 ZINC000082924359 362269260 /nfs/dbraw/zinc/26/92/60/362269260.db2.gz VGNJKIKBNLDJFM-UHFFFAOYSA-N 2 1 223.324 0.954 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000600710276 344360812 /nfs/dbraw/zinc/36/08/12/344360812.db2.gz MZXVXJLUHIAZHD-UWVGGRQHSA-N 2 1 214.309 0.609 10 0 BCAEMP COC(=O)CCCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000600710276 344360814 /nfs/dbraw/zinc/36/08/14/344360814.db2.gz MZXVXJLUHIAZHD-UWVGGRQHSA-N 2 1 214.309 0.609 10 0 BCAEMP Cc1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)nc(C)[nH+]1 ZINC000634811174 344396021 /nfs/dbraw/zinc/39/60/21/344396021.db2.gz WMYXIRKLQUKJOT-WDEREUQCSA-N 2 1 234.303 0.270 10 0 BCAEMP CSC1(C[NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000381615083 344525735 /nfs/dbraw/zinc/52/57/35/344525735.db2.gz UTIACGRVJJGBEN-UHFFFAOYSA-N 2 1 244.404 0.928 10 0 BCAEMP Cc1cn(CC[C@@](C)([NH3+])C(N)=O)c(C)[nH+]1 ZINC000715151040 537864915 /nfs/dbraw/zinc/86/49/15/537864915.db2.gz MVUHAJLDNDJLDG-SNVBAGLBSA-N 2 1 210.281 0.093 10 0 BCAEMP CCc1[nH+]c(C)cn1[C@@H](C)[C@@H]([NH3+])C(N)=O ZINC000715144527 537865748 /nfs/dbraw/zinc/86/57/48/537865748.db2.gz JSWMHWAPZFYOSG-IONNQARKSA-N 2 1 210.281 0.128 10 0 BCAEMP Clc1c[nH+]ccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390183833 259382163 /nfs/dbraw/zinc/38/21/63/259382163.db2.gz FWRGAUBDHYKNHI-VIFPVBQESA-N 2 1 241.722 0.947 10 0 BCAEMP CC(C)([NH3+])CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000250367854 192369756 /nfs/dbraw/zinc/36/97/56/192369756.db2.gz QTCWJRPGTWDMHA-NSHDSACASA-N 2 1 211.353 0.894 10 0 BCAEMP [NH3+]C[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000226775269 345061893 /nfs/dbraw/zinc/06/18/93/345061893.db2.gz FIWSNKCKCVNTPG-ZIAGYGMSSA-N 2 1 248.326 0.963 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000245471142 345227900 /nfs/dbraw/zinc/22/79/00/345227900.db2.gz XHGNUQGKZWXOPJ-GHMZBOCLSA-N 2 1 227.352 0.442 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531013 345345456 /nfs/dbraw/zinc/34/54/56/345345456.db2.gz BZTDUBWZLJFUAX-WDEREUQCSA-N 2 1 225.336 0.339 10 0 BCAEMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000178618520 534996759 /nfs/dbraw/zinc/99/67/59/534996759.db2.gz DSRBCHQOUNTYKS-SECBINFHSA-N 2 1 201.314 0.180 10 0 BCAEMP CCC[N@@H+](CC)C[C@@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378596 537969159 /nfs/dbraw/zinc/96/91/59/537969159.db2.gz IRCIXNSEHVHWTL-NEPJUHHUSA-N 2 1 213.369 0.903 10 0 BCAEMP C[C@@H]1CCC[N@@H+](C[C@H]2CNC[C@H](C[NH3+])C2)C1 ZINC000669379166 537975247 /nfs/dbraw/zinc/97/52/47/537975247.db2.gz VIQATLCVBCOVMM-FRRDWIJNSA-N 2 1 225.380 0.903 10 0 BCAEMP C1[C@H](N2CC[NH2+]CC2)C[N@H+]2CCCC[C@@H]12 ZINC000725241785 537980588 /nfs/dbraw/zinc/98/05/88/537980588.db2.gz PQORNCNWLQDALH-RYUDHWBXSA-N 2 1 209.337 0.518 10 0 BCAEMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000310022748 347219835 /nfs/dbraw/zinc/21/98/35/347219835.db2.gz OCYHWLIGXGHNCT-RKDXNWHRSA-N 2 1 222.292 0.051 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054074463 348889301 /nfs/dbraw/zinc/88/93/01/348889301.db2.gz DAKCGJDQNXMKIX-NXEZZACHSA-N 2 1 225.336 0.195 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH2+]C)C1 ZINC000054074449 348889613 /nfs/dbraw/zinc/88/96/13/348889613.db2.gz PRYYJHYAMLSLIS-ZJUUUORDSA-N 2 1 213.325 0.052 10 0 BCAEMP Cc1cc(N2CCN(C)C[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000250968385 349181231 /nfs/dbraw/zinc/18/12/31/349181231.db2.gz SBOVCHCJLJSXQP-LLVKDONJSA-N 2 1 235.335 0.173 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251838498 349192062 /nfs/dbraw/zinc/19/20/62/349192062.db2.gz QFVFJEUSZMZVSU-UTUOFQBUSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@H](O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000051839620 350148835 /nfs/dbraw/zinc/14/88/35/350148835.db2.gz NFPGQAVFPGLCSA-GARJFASQSA-N 2 1 200.326 0.959 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1CC[C@H](CCO)C1 ZINC000309269454 350247689 /nfs/dbraw/zinc/24/76/89/350247689.db2.gz QULVOHJDDCMYGQ-NEPJUHHUSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CCO)C1 ZINC000309269454 350247700 /nfs/dbraw/zinc/24/77/00/350247700.db2.gz QULVOHJDDCMYGQ-NEPJUHHUSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CCO)C1 ZINC000309269454 350247703 /nfs/dbraw/zinc/24/77/03/350247703.db2.gz QULVOHJDDCMYGQ-NEPJUHHUSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000309269454 350247707 /nfs/dbraw/zinc/24/77/07/350247707.db2.gz QULVOHJDDCMYGQ-NEPJUHHUSA-N 2 1 230.352 0.003 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CCO)C1 ZINC000309269454 350247711 /nfs/dbraw/zinc/24/77/11/350247711.db2.gz QULVOHJDDCMYGQ-NEPJUHHUSA-N 2 1 230.352 0.003 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(N)=O ZINC000178314405 180265758 /nfs/dbraw/zinc/26/57/58/180265758.db2.gz HOPDHNCTFKJYHX-JTQLQIEISA-N 2 1 222.292 0.141 10 0 BCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(N)=O ZINC000178314405 180265760 /nfs/dbraw/zinc/26/57/60/180265760.db2.gz HOPDHNCTFKJYHX-JTQLQIEISA-N 2 1 222.292 0.141 10 0 BCAEMP Cc1[nH+]cn([C@@H](C[NH3+])c2cnn(C)c2)c1C ZINC000051925759 180288739 /nfs/dbraw/zinc/28/87/39/180288739.db2.gz WLUVHTBWOJCPIB-NSHDSACASA-N 2 1 219.292 0.782 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CNC1CC[NH2+]CC1 ZINC000038040595 350303047 /nfs/dbraw/zinc/30/30/47/350303047.db2.gz FGUSXVBFIJQULC-LBPRGKRZSA-N 2 1 211.353 0.812 10 0 BCAEMP Cn1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000309347458 350327000 /nfs/dbraw/zinc/32/70/00/350327000.db2.gz MLPDPXHITFJLIP-ZMLRMANQSA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000309347458 350327002 /nfs/dbraw/zinc/32/70/02/350327002.db2.gz MLPDPXHITFJLIP-ZMLRMANQSA-N 2 1 220.320 0.589 10 0 BCAEMP CCOC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068951294 350316353 /nfs/dbraw/zinc/31/63/53/350316353.db2.gz ODSSGWWHXCSBKV-VXGBXAGGSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000068951294 350316357 /nfs/dbraw/zinc/31/63/57/350316357.db2.gz ODSSGWWHXCSBKV-VXGBXAGGSA-N 2 1 230.352 0.267 10 0 BCAEMP CCOC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000068951294 350316358 /nfs/dbraw/zinc/31/63/58/350316358.db2.gz ODSSGWWHXCSBKV-VXGBXAGGSA-N 2 1 230.352 0.267 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000261544481 351122104 /nfs/dbraw/zinc/12/21/04/351122104.db2.gz YQUGFYNPDLLFBD-MNOVXSKESA-N 2 1 239.363 0.714 10 0 BCAEMP CC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000307194063 351595328 /nfs/dbraw/zinc/59/53/28/351595328.db2.gz HXLNPIPHUIKLOJ-RYUDHWBXSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@H]2C1 ZINC000307194063 351595331 /nfs/dbraw/zinc/59/53/31/351595331.db2.gz HXLNPIPHUIKLOJ-RYUDHWBXSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC000307194063 351595335 /nfs/dbraw/zinc/59/53/35/351595335.db2.gz HXLNPIPHUIKLOJ-RYUDHWBXSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@H]2C1 ZINC000307194063 351595338 /nfs/dbraw/zinc/59/53/38/351595338.db2.gz HXLNPIPHUIKLOJ-RYUDHWBXSA-N 2 1 210.321 0.849 10 0 BCAEMP CC(C)(C)[C@H](O)C[N@H+]1CCC[NH2+]CC1 ZINC000307299408 351916428 /nfs/dbraw/zinc/91/64/28/351916428.db2.gz YNSNIUGUZPKKNM-SNVBAGLBSA-N 2 1 200.326 0.689 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638080815 351953746 /nfs/dbraw/zinc/95/37/46/351953746.db2.gz RBSQFSWVJFIMOA-VXGBXAGGSA-N 2 1 237.347 0.634 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638117421 351993080 /nfs/dbraw/zinc/99/30/80/351993080.db2.gz UMPKMPNYSWSFHJ-RTXFEEFZSA-N 2 1 249.358 0.729 10 0 BCAEMP C[NH+](C)CC(=O)Nc1cccc(C[NH3+])n1 ZINC000725270616 538102410 /nfs/dbraw/zinc/10/24/10/538102410.db2.gz NQWKIXCXQNUBCY-UHFFFAOYSA-N 2 1 208.265 0.040 10 0 BCAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)C1(C)CC1 ZINC000725271973 538103613 /nfs/dbraw/zinc/10/36/13/538103613.db2.gz FNGHKSMXHIPUTM-UHFFFAOYSA-N 2 1 209.293 0.637 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040503518 352598537 /nfs/dbraw/zinc/59/85/37/352598537.db2.gz DJBGYKIOXATTDR-LBPRGKRZSA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@H]1[N@@H+](Cc2ccccc2)CC[C@@]1(N)C[NH3+] ZINC000307475079 352618807 /nfs/dbraw/zinc/61/88/07/352618807.db2.gz JYMMUUHHPQCUDM-DGCLKSJQSA-N 2 1 219.332 0.937 10 0 BCAEMP CC(C)C[N@H+](C)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000300931472 352578864 /nfs/dbraw/zinc/57/88/64/352578864.db2.gz WECIHWIHERDINM-MNOVXSKESA-N 2 1 200.326 0.687 10 0 BCAEMP CC(C)C[N@@H+](C)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000300931472 352578867 /nfs/dbraw/zinc/57/88/67/352578867.db2.gz WECIHWIHERDINM-MNOVXSKESA-N 2 1 200.326 0.687 10 0 BCAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@@H+]1CCC[C@@H](CO)C1 ZINC000725273869 538104854 /nfs/dbraw/zinc/10/48/54/538104854.db2.gz OTEYRQCLZLUFMP-JHJVBQTASA-N 2 1 242.363 0.267 10 0 BCAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@H+]1CCC[C@@H](CO)C1 ZINC000725273869 538104855 /nfs/dbraw/zinc/10/48/55/538104855.db2.gz OTEYRQCLZLUFMP-JHJVBQTASA-N 2 1 242.363 0.267 10 0 BCAEMP [NH3+]Cc1ccccc1CN1CC[NH+](CCO)CC1 ZINC000036128251 188112844 /nfs/dbraw/zinc/11/28/44/188112844.db2.gz WUHXSUGBLNGJKW-UHFFFAOYSA-N 2 1 249.358 0.255 10 0 BCAEMP CC(C)[N@@H+](CC(N)=O)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000042428602 188119609 /nfs/dbraw/zinc/11/96/09/188119609.db2.gz WOPLFJWCHVSNQF-IJLUTSLNSA-N 2 1 241.379 0.946 10 0 BCAEMP C1C[C@H]2C[C@@H](N3CC[NH2+]CC3)CC[N@H+]2C1 ZINC000082374780 188119952 /nfs/dbraw/zinc/11/99/52/188119952.db2.gz LOLVWCQRZKOEHK-RYUDHWBXSA-N 2 1 209.337 0.518 10 0 BCAEMP CC(=O)N1CCC[N@H+]([C@@H](C)CC[NH3+])CC1 ZINC000042614617 188120414 /nfs/dbraw/zinc/12/04/14/188120414.db2.gz UOLOCDHKPPOKOM-JTQLQIEISA-N 2 1 213.325 0.278 10 0 BCAEMP CC(C)N1CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052480075 188126096 /nfs/dbraw/zinc/12/60/96/188126096.db2.gz AMGQDYGOPMHGBV-QWHCGFSZSA-N 2 1 241.379 0.519 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165320271 353299002 /nfs/dbraw/zinc/29/90/02/353299002.db2.gz QYJXSVYPDDOODI-NWDGAFQWSA-N 2 1 241.379 0.914 10 0 BCAEMP C[C@@H]([NH3+])[C@@H](CO)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817606 363442842 /nfs/dbraw/zinc/44/28/42/363442842.db2.gz OIJPSJNQQURUCU-LMLFDSFASA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]([NH3+])[C@@H](CO)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817606 363442843 /nfs/dbraw/zinc/44/28/43/363442843.db2.gz OIJPSJNQQURUCU-LMLFDSFASA-N 2 1 200.326 0.672 10 0 BCAEMP NC(=[NH2+])c1ncccc1C[N@H+]1CCCC[C@@H]1CO ZINC000061658094 181197832 /nfs/dbraw/zinc/19/78/32/181197832.db2.gz UHLUTQNHHFLBFC-LLVKDONJSA-N 2 1 248.330 0.712 10 0 BCAEMP NC(=O)CCC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602146 181220979 /nfs/dbraw/zinc/22/09/79/181220979.db2.gz MHAMTJJSVPAEBE-FGWVZKOKSA-N 2 1 225.336 0.596 10 0 BCAEMP NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037918100 181222728 /nfs/dbraw/zinc/22/27/28/181222728.db2.gz CDVHDCCDPLUOKQ-GHMZBOCLSA-N 2 1 225.336 0.326 10 0 BCAEMP NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000042251605 181223249 /nfs/dbraw/zinc/22/32/49/181223249.db2.gz XJBJMKZECNAKLB-UHFFFAOYSA-N 2 1 239.363 0.812 10 0 BCAEMP NC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2)CC1 ZINC000038007327 181230976 /nfs/dbraw/zinc/23/09/76/181230976.db2.gz GEQYALMKWLPUHV-UHFFFAOYSA-N 2 1 234.303 0.443 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1CNc1cc[nH+]cc1Cl ZINC000420252667 192188403 /nfs/dbraw/zinc/18/84/03/192188403.db2.gz OJLWNIZIVUTQNG-OIBJUYFYSA-N 2 1 227.695 0.149 10 0 BCAEMP C[C@H]([NH3+])[C@H](CO)[N@@H+]1CCCCC[C@@H]1C ZINC000224823217 363495704 /nfs/dbraw/zinc/49/57/04/363495704.db2.gz HPEUYGIYTZFQQF-DCAQKATOSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H]([NH3+])[C@H](CO)[N@H+]1CCCCC[C@@H]1C ZINC000224823217 363495706 /nfs/dbraw/zinc/49/57/06/363495706.db2.gz HPEUYGIYTZFQQF-DCAQKATOSA-N 2 1 200.326 0.959 10 0 BCAEMP CC(C)[NH+]1CCC(O)(C(F)(F)C[NH3+])CC1 ZINC000675073575 538505975 /nfs/dbraw/zinc/50/59/75/538505975.db2.gz LTESNGJOTKICKV-UHFFFAOYSA-N 2 1 222.279 0.816 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392807339 357234646 /nfs/dbraw/zinc/23/46/46/357234646.db2.gz YRBXQQGVZAWWPI-VXGBXAGGSA-N 2 1 237.347 0.220 10 0 BCAEMP C[C@@H]1COCC[N@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951429 538895002 /nfs/dbraw/zinc/89/50/02/538895002.db2.gz UHFROZQLOFAVNB-GARJFASQSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1COCC[N@@H+]1C1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000685951429 538895004 /nfs/dbraw/zinc/89/50/04/538895004.db2.gz UHFROZQLOFAVNB-GARJFASQSA-N 2 1 212.337 0.951 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233487642 357725599 /nfs/dbraw/zinc/72/55/99/357725599.db2.gz YTQGKAOJZBVHGV-IJLUTSLNSA-N 2 1 239.363 0.442 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](O)C[C@H]1C ZINC000639938729 357944595 /nfs/dbraw/zinc/94/45/95/357944595.db2.gz JYSWJCFHZVZJQS-UPJWGTAASA-N 2 1 244.379 0.533 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227456197 358357846 /nfs/dbraw/zinc/35/78/46/358357846.db2.gz ZZJUGIAPPRAIBZ-AXFHLTTASA-N 2 1 225.336 0.289 10 0 BCAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C(C)(C)CO ZINC000306154570 358940012 /nfs/dbraw/zinc/94/00/12/358940012.db2.gz BKEPVCJAHNIQFN-ZJUUUORDSA-N 2 1 200.326 0.687 10 0 BCAEMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000246836775 359168678 /nfs/dbraw/zinc/16/86/78/359168678.db2.gz BKQVJSOLMVUUIQ-NEPJUHHUSA-N 2 1 239.363 0.633 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C[NH+](C)C ZINC000246836775 359168683 /nfs/dbraw/zinc/16/86/83/359168683.db2.gz BKQVJSOLMVUUIQ-NEPJUHHUSA-N 2 1 239.363 0.633 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886126 359585236 /nfs/dbraw/zinc/58/52/36/359585236.db2.gz LYCVJZGZMNNGCT-BDAKNGLRSA-N 2 1 200.282 0.219 10 0 BCAEMP C[C@@H]([NH3+])C(C)(C)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000306518235 360346043 /nfs/dbraw/zinc/34/60/43/360346043.db2.gz GVAZJHSQPOFVEV-OPRDCNLKSA-N 2 1 200.326 0.815 10 0 BCAEMP CC(C)[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300834381 360531240 /nfs/dbraw/zinc/53/12/40/360531240.db2.gz CYZKOGGWDDOCDV-OUAUKWLOSA-N 2 1 200.326 0.672 10 0 BCAEMP COCCCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357205 364079942 /nfs/dbraw/zinc/07/99/42/364079942.db2.gz CPHZRQBPORIQQC-RYUDHWBXSA-N 2 1 230.352 0.851 10 0 BCAEMP COCCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630357205 364079946 /nfs/dbraw/zinc/07/99/46/364079946.db2.gz CPHZRQBPORIQQC-RYUDHWBXSA-N 2 1 230.352 0.851 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@H](O)C2)CCCC1 ZINC000051257076 181358979 /nfs/dbraw/zinc/35/89/79/181358979.db2.gz MBZGEFFMEGOQNG-NSHDSACASA-N 2 1 212.337 0.962 10 0 BCAEMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000630552196 364246131 /nfs/dbraw/zinc/24/61/31/364246131.db2.gz CEVBLTMRPKZWBN-UWVGGRQHSA-N 2 1 235.335 0.574 10 0 BCAEMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C[NH3+] ZINC000630552197 364246837 /nfs/dbraw/zinc/24/68/37/364246837.db2.gz CEVBLTMRPKZWBN-VHSXEESVSA-N 2 1 235.335 0.574 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCCOCC2)CCOCC1 ZINC000061934894 181359313 /nfs/dbraw/zinc/35/93/13/181359313.db2.gz XRAUEAVQGONLOO-UHFFFAOYSA-N 2 1 228.336 0.464 10 0 BCAEMP CC[N@H+](CC(=O)NC)[C@H]1CCC[NH2+]CC1 ZINC000168804318 365012245 /nfs/dbraw/zinc/01/22/45/365012245.db2.gz JAEKXXWFJQJTIW-JTQLQIEISA-N 2 1 213.325 0.196 10 0 BCAEMP CC[N@@H+](CC(=O)NC)[C@H]1CCC[NH2+]CC1 ZINC000168804318 365012248 /nfs/dbraw/zinc/01/22/48/365012248.db2.gz JAEKXXWFJQJTIW-JTQLQIEISA-N 2 1 213.325 0.196 10 0 BCAEMP [NH3+]CCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000037038061 181381113 /nfs/dbraw/zinc/38/11/13/181381113.db2.gz DNBVBBKSBWYDQA-UHFFFAOYSA-N 2 1 234.347 0.943 10 0 BCAEMP CC(C)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321240579 541491466 /nfs/dbraw/zinc/49/14/66/541491466.db2.gz FKDHSGSDUKCDJU-UHFFFAOYSA-N 2 1 227.352 0.572 10 0 BCAEMP CC(C)[C@H]1[NH2+]CC[C@@H]1c1nc(C[NH3+])no1 ZINC000381561707 367430695 /nfs/dbraw/zinc/43/06/95/367430695.db2.gz QNKORTJXPNSXCF-IONNQARKSA-N 2 1 210.281 0.630 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@H]21 ZINC000581555892 367587317 /nfs/dbraw/zinc/58/73/17/367587317.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000581555892 367587323 /nfs/dbraw/zinc/58/73/23/367587323.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000581555892 367587330 /nfs/dbraw/zinc/58/73/30/367587330.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21 ZINC000581555892 367587336 /nfs/dbraw/zinc/58/73/36/367587336.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@H]21 ZINC000581555892 367587343 /nfs/dbraw/zinc/58/73/43/367587343.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000581555892 367587348 /nfs/dbraw/zinc/58/73/48/367587348.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000581555892 367587354 /nfs/dbraw/zinc/58/73/54/367587354.db2.gz AOIRLPBHJNTGAL-GRYCIOLGSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000383569425 367640879 /nfs/dbraw/zinc/64/08/79/367640879.db2.gz JTPVAIXGQUAZNP-STQMWFEESA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000383569425 367640882 /nfs/dbraw/zinc/64/08/82/367640882.db2.gz JTPVAIXGQUAZNP-STQMWFEESA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000383569425 367640885 /nfs/dbraw/zinc/64/08/85/367640885.db2.gz JTPVAIXGQUAZNP-STQMWFEESA-N 2 1 244.379 0.536 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779291 /nfs/dbraw/zinc/77/92/91/367779291.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779302 /nfs/dbraw/zinc/77/93/02/367779302.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779305 /nfs/dbraw/zinc/77/93/05/367779305.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779311 /nfs/dbraw/zinc/77/93/11/367779311.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779320 /nfs/dbraw/zinc/77/93/20/367779320.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779327 /nfs/dbraw/zinc/77/93/27/367779327.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000385050228 367779335 /nfs/dbraw/zinc/77/93/35/367779335.db2.gz SLDBBFATGZGYHJ-SDDRHHMPSA-N 2 1 230.352 0.144 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631838986 369123789 /nfs/dbraw/zinc/12/37/89/369123789.db2.gz XZSSSQYDWUNANU-WDEREUQCSA-N 2 1 225.336 0.135 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000631838986 369123795 /nfs/dbraw/zinc/12/37/95/369123795.db2.gz XZSSSQYDWUNANU-WDEREUQCSA-N 2 1 225.336 0.135 10 0 BCAEMP [NH3+]C[C@H]1C[N@@H+](C2CSC2)CCCO1 ZINC000306562254 372037066 /nfs/dbraw/zinc/03/70/66/372037066.db2.gz CFJFVKMVXHJION-VIFPVBQESA-N 2 1 202.323 0.151 10 0 BCAEMP [NH3+]C[C@H]1C[N@H+](C2CSC2)CCCO1 ZINC000306562254 372037068 /nfs/dbraw/zinc/03/70/68/372037068.db2.gz CFJFVKMVXHJION-VIFPVBQESA-N 2 1 202.323 0.151 10 0 BCAEMP CC[C@@](C)(C[NH3+])[C@@]1(O)CCC[N@@H+](C)C1 ZINC000134369658 372200089 /nfs/dbraw/zinc/20/00/89/372200089.db2.gz URPFHKKGLCXCBT-WDEREUQCSA-N 2 1 200.326 0.818 10 0 BCAEMP Cc1nccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000631823728 372602813 /nfs/dbraw/zinc/60/28/13/372602813.db2.gz MNBIRPMPMLKKFQ-SRVKXCTJSA-N 2 1 232.331 0.954 10 0 BCAEMP Cc1nccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000631823728 372602818 /nfs/dbraw/zinc/60/28/18/372602818.db2.gz MNBIRPMPMLKKFQ-SRVKXCTJSA-N 2 1 232.331 0.954 10 0 BCAEMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000631839780 372633536 /nfs/dbraw/zinc/63/35/36/372633536.db2.gz KSGDMLNTHWHVQS-PWSUYJOCSA-N 2 1 212.337 0.940 10 0 BCAEMP C[C@H]1C[N@@H+](CCCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838591 372634625 /nfs/dbraw/zinc/63/46/25/372634625.db2.gz QURIGKCMBZXPFM-STQMWFEESA-N 2 1 241.379 0.235 10 0 BCAEMP C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631839706 372636007 /nfs/dbraw/zinc/63/60/07/372636007.db2.gz JTWNXBQRIPXPCI-PWSUYJOCSA-N 2 1 212.337 0.940 10 0 BCAEMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841779 372637799 /nfs/dbraw/zinc/63/77/99/372637799.db2.gz PMZHUYLMMQHPMJ-SDDRHHMPSA-N 2 1 241.379 0.818 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000631843906 372642497 /nfs/dbraw/zinc/64/24/97/372642497.db2.gz UATAWGLOTURIFR-VHSXEESVSA-N 2 1 227.352 0.428 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000631843906 372642501 /nfs/dbraw/zinc/64/25/01/372642501.db2.gz UATAWGLOTURIFR-VHSXEESVSA-N 2 1 227.352 0.428 10 0 BCAEMP C[C@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631843905 372642512 /nfs/dbraw/zinc/64/25/12/372642512.db2.gz UATAWGLOTURIFR-UWVGGRQHSA-N 2 1 227.352 0.428 10 0 BCAEMP C[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000631843905 372642517 /nfs/dbraw/zinc/64/25/17/372642517.db2.gz UATAWGLOTURIFR-UWVGGRQHSA-N 2 1 227.352 0.428 10 0 BCAEMP C[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCCC1)OCCO2 ZINC000039384621 372961159 /nfs/dbraw/zinc/96/11/59/372961159.db2.gz CERNGLBORHTCEL-VXGBXAGGSA-N 2 1 240.347 0.966 10 0 BCAEMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000226406858 169121596 /nfs/dbraw/zinc/12/15/96/169121596.db2.gz ORXCXSAMGKXCPL-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC000037224634 169198414 /nfs/dbraw/zinc/19/84/14/169198414.db2.gz UWDMMAQDASMQHQ-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC000037224634 169198415 /nfs/dbraw/zinc/19/84/15/169198415.db2.gz UWDMMAQDASMQHQ-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2)C1 ZINC000073652246 169198473 /nfs/dbraw/zinc/19/84/73/169198473.db2.gz SSXGNJQAOHZKOG-LBPRGKRZSA-N 2 1 211.353 0.766 10 0 BCAEMP CCC[NH+]1CCN(C(=O)C(C)(C)[NH2+]C)CC1 ZINC000061300249 169201048 /nfs/dbraw/zinc/20/10/48/169201048.db2.gz QIBKBNOUZCLLSE-UHFFFAOYSA-N 2 1 227.352 0.539 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C)CC1 ZINC000054071724 169201161 /nfs/dbraw/zinc/20/11/61/169201161.db2.gz UDDFEJBTKTVRBS-JTQLQIEISA-N 2 1 213.325 0.149 10 0 BCAEMP CCCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036780909 169226096 /nfs/dbraw/zinc/22/60/96/169226096.db2.gz STLXMUXJYCYRRU-YOGCLGLASA-N 2 1 239.363 0.727 10 0 BCAEMP CCCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036780909 169226098 /nfs/dbraw/zinc/22/60/98/169226098.db2.gz STLXMUXJYCYRRU-YOGCLGLASA-N 2 1 239.363 0.727 10 0 BCAEMP CCCNC(=O)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038046 169234644 /nfs/dbraw/zinc/23/46/44/169234644.db2.gz CHUJOEHRKGOMAL-UHFFFAOYSA-N 2 1 242.367 0.463 10 0 BCAEMP CCCNC(=O)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038046 169234645 /nfs/dbraw/zinc/23/46/45/169234645.db2.gz CHUJOEHRKGOMAL-UHFFFAOYSA-N 2 1 242.367 0.463 10 0 BCAEMP c1ccc2[nH+]c(NC[C@@H]3C[NH2+]CCO3)[nH]c2c1 ZINC000134265285 183435990 /nfs/dbraw/zinc/43/59/90/183435990.db2.gz WHHRXUDPARNGNE-VIFPVBQESA-N 2 1 232.287 0.963 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000236945242 169389513 /nfs/dbraw/zinc/38/95/13/169389513.db2.gz FVSVUTGGDDKPNI-LLVKDONJSA-N 2 1 245.367 0.198 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226398585 169389011 /nfs/dbraw/zinc/38/90/11/169389011.db2.gz HGHGFECIBHBPEU-GXSJLCMTSA-N 2 1 227.352 0.713 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724393 383840570 /nfs/dbraw/zinc/84/05/70/383840570.db2.gz WXUQHDJCFSZAHQ-JTQLQIEISA-N 2 1 214.309 0.610 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000132379808 384185171 /nfs/dbraw/zinc/18/51/71/384185171.db2.gz LEQVYWQQKMCVNZ-BDAKNGLRSA-N 2 1 200.282 0.219 10 0 BCAEMP C[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000095088899 384360659 /nfs/dbraw/zinc/36/06/59/384360659.db2.gz IUDSIJFUYYZMDG-SNVBAGLBSA-N 2 1 225.336 0.278 10 0 BCAEMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000647512640 384411957 /nfs/dbraw/zinc/41/19/57/384411957.db2.gz NYHGOZNMGGKHKD-GARJFASQSA-N 2 1 220.320 0.887 10 0 BCAEMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000647512640 384411964 /nfs/dbraw/zinc/41/19/64/384411964.db2.gz NYHGOZNMGGKHKD-GARJFASQSA-N 2 1 220.320 0.887 10 0 BCAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000076648389 384380921 /nfs/dbraw/zinc/38/09/21/384380921.db2.gz VMMZFPZMISQAMO-OLZOCXBDSA-N 2 1 220.316 0.828 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000054072507 384726861 /nfs/dbraw/zinc/72/68/61/384726861.db2.gz OWBXNWIJZAFBOD-SNVBAGLBSA-N 2 1 213.325 0.147 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000308486575 384745213 /nfs/dbraw/zinc/74/52/13/384745213.db2.gz OKSUSPYWZRRWIZ-JTQLQIEISA-N 2 1 200.282 0.220 10 0 BCAEMP C[C@H](C[NH3+])Nc1cc(NC2CC2)[nH+]cn1 ZINC000258678812 384932511 /nfs/dbraw/zinc/93/25/11/384932511.db2.gz PGEMVFZXUSCGGD-SSDOTTSWSA-N 2 1 207.281 0.810 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC[N@H+]1C ZINC000226403337 385011127 /nfs/dbraw/zinc/01/11/27/385011127.db2.gz LQRNZVNQSURALF-DDHJBXDOSA-N 2 1 239.363 0.713 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccno3)C[C@H]12 ZINC000309011638 385059932 /nfs/dbraw/zinc/05/99/32/385059932.db2.gz XHONWMVPTLQFTR-INTQDDNPSA-N 2 1 207.277 0.844 10 0 BCAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccno3)C[C@H]12 ZINC000309011638 385059936 /nfs/dbraw/zinc/05/99/36/385059936.db2.gz XHONWMVPTLQFTR-INTQDDNPSA-N 2 1 207.277 0.844 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000157254238 385117315 /nfs/dbraw/zinc/11/73/15/385117315.db2.gz QIASJNSQOMGZHD-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309454706 385593370 /nfs/dbraw/zinc/59/33/70/385593370.db2.gz QQNUBSUUHICSOG-WCQGTBRESA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309454706 385593374 /nfs/dbraw/zinc/59/33/74/385593374.db2.gz QQNUBSUUHICSOG-WCQGTBRESA-N 2 1 228.336 0.209 10 0 BCAEMP [NH3+][C@H]1CC=C(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638109926 385842446 /nfs/dbraw/zinc/84/24/46/385842446.db2.gz ZPQJLUKCMOMFBB-RYUDHWBXSA-N 2 1 235.331 0.341 10 0 BCAEMP [NH3+][C@@H]1CC=C(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000638109924 385842585 /nfs/dbraw/zinc/84/25/85/385842585.db2.gz ZPQJLUKCMOMFBB-NEPJUHHUSA-N 2 1 235.331 0.341 10 0 BCAEMP [NH3+][C@H]1CC[C@H]([N@@H+]2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612321 385867804 /nfs/dbraw/zinc/86/78/04/385867804.db2.gz TZBZWWGOFGVDLA-DCAQKATOSA-N 2 1 223.320 0.173 10 0 BCAEMP [NH3+][C@H]1CC[C@H]([N@H+]2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612321 385867808 /nfs/dbraw/zinc/86/78/08/385867808.db2.gz TZBZWWGOFGVDLA-DCAQKATOSA-N 2 1 223.320 0.173 10 0 BCAEMP CN(C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H]21)C1CC1 ZINC000336647922 386257320 /nfs/dbraw/zinc/25/73/20/386257320.db2.gz FXBNQJIZTMIAOK-WXHSDQCUSA-N 2 1 224.348 0.926 10 0 BCAEMP CN(C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H]21)C1CC1 ZINC000336647922 386257322 /nfs/dbraw/zinc/25/73/22/386257322.db2.gz FXBNQJIZTMIAOK-WXHSDQCUSA-N 2 1 224.348 0.926 10 0 BCAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@@]12C[NH+]=C(N)N2 ZINC000307582477 386737380 /nfs/dbraw/zinc/73/73/80/386737380.db2.gz VEAQIRNLMVPVIR-SMDDNHRTSA-N 2 1 244.342 0.938 10 0 BCAEMP [NH3+]C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)C1CCCC1 ZINC000417835016 386793959 /nfs/dbraw/zinc/79/39/59/386793959.db2.gz NLQVBORDZQATQM-UWVGGRQHSA-N 2 1 243.376 0.283 10 0 BCAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000114477769 386782212 /nfs/dbraw/zinc/78/22/12/386782212.db2.gz FRGTZUGWBZNDHN-JTQLQIEISA-N 2 1 200.326 0.641 10 0 BCAEMP Cc1c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cnn1C ZINC000126757139 387038470 /nfs/dbraw/zinc/03/84/70/387038470.db2.gz ZVRIWLCFEJQTHA-ONGXEEELSA-N 2 1 222.336 0.898 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000070578321 387069988 /nfs/dbraw/zinc/06/99/88/387069988.db2.gz ARIPYODQBORHGL-MNOVXSKESA-N 2 1 239.363 0.714 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000645687118 387272183 /nfs/dbraw/zinc/27/21/83/387272183.db2.gz MUTMBMNSPXDECX-GHMZBOCLSA-N 2 1 239.363 0.585 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@@H+]1C ZINC000392942947 387302698 /nfs/dbraw/zinc/30/26/98/387302698.db2.gz QRBDWZXZFHWXFC-KXNHARMFSA-N 2 1 239.363 0.726 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CC[N@H+]1C ZINC000392942947 387302700 /nfs/dbraw/zinc/30/27/00/387302700.db2.gz QRBDWZXZFHWXFC-KXNHARMFSA-N 2 1 239.363 0.726 10 0 BCAEMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCOC1)CC2 ZINC000368432908 387351932 /nfs/dbraw/zinc/35/19/32/387351932.db2.gz KQLUQGGUNZWAIK-GHMZBOCLSA-N 2 1 221.304 0.824 10 0 BCAEMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@H]1CCOC1)CC2 ZINC000368432910 387352060 /nfs/dbraw/zinc/35/20/60/387352060.db2.gz KQLUQGGUNZWAIK-QWRGUYRKSA-N 2 1 221.304 0.824 10 0 BCAEMP [NH3+][C@H]1C[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000515851443 387428391 /nfs/dbraw/zinc/42/83/91/387428391.db2.gz PCYPIXHJJVKOHH-TUAOUCFPSA-N 2 1 237.347 0.420 10 0 BCAEMP C[N@@H+]1CCO[C@@H](CSC2C[NH2+]C2)C1 ZINC000306576192 387437760 /nfs/dbraw/zinc/43/77/60/387437760.db2.gz KETYZAWGDULRJT-MRVPVSSYSA-N 2 1 202.323 0.022 10 0 BCAEMP C[N@H+]1CCO[C@@H](CSC2C[NH2+]C2)C1 ZINC000306576192 387437766 /nfs/dbraw/zinc/43/77/66/387437766.db2.gz KETYZAWGDULRJT-MRVPVSSYSA-N 2 1 202.323 0.022 10 0 BCAEMP Cc1cccc(N2CCO[C@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000169211600 387794595 /nfs/dbraw/zinc/79/45/95/387794595.db2.gz CUMQBWRNSZCMMZ-MNOVXSKESA-N 2 1 221.304 0.942 10 0 BCAEMP CO[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C12CCC2 ZINC000423167230 387952225 /nfs/dbraw/zinc/95/22/25/387952225.db2.gz DVQSIEIAWHLGKF-HBNTYKKESA-N 2 1 210.321 0.896 10 0 BCAEMP C1=CC[N@H+](CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000392243162 387945326 /nfs/dbraw/zinc/94/53/26/387945326.db2.gz MTPXHTOYSKYXPS-CYBMUJFWSA-N 2 1 223.364 0.980 10 0 BCAEMP C1=CC[N@@H+](CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000392243162 387945329 /nfs/dbraw/zinc/94/53/29/387945329.db2.gz MTPXHTOYSKYXPS-CYBMUJFWSA-N 2 1 223.364 0.980 10 0 BCAEMP C[NH2+]C[C@H]1CCCN1c1cc[nH+]c(N(C)C)n1 ZINC000085432506 388088431 /nfs/dbraw/zinc/08/84/31/388088431.db2.gz NZNZCKKDFZJTLR-SNVBAGLBSA-N 2 1 235.335 0.731 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000086067784 388099360 /nfs/dbraw/zinc/09/93/60/388099360.db2.gz XHGNUQGKZWXOPJ-WDEREUQCSA-N 2 1 227.352 0.442 10 0 BCAEMP C[C@H]1COC[C@H](C)[NH+]1CCN1CC[NH2+]CC1 ZINC000573001463 388404366 /nfs/dbraw/zinc/40/43/66/388404366.db2.gz QHYUTZWQJLKGQW-RYUDHWBXSA-N 2 1 227.352 0.001 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300409347 388367180 /nfs/dbraw/zinc/36/71/80/388367180.db2.gz XTIRGYJAMOJPTL-QJPTWQEYSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000516930669 388526113 /nfs/dbraw/zinc/52/61/13/388526113.db2.gz XBMRPGGGLNLYCI-WYUUTHIRSA-N 2 1 237.347 0.419 10 0 BCAEMP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842935 388611188 /nfs/dbraw/zinc/61/11/88/388611188.db2.gz HPPQFMROMVSFKI-SRVKXCTJSA-N 2 1 241.379 0.674 10 0 BCAEMP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842935 388611190 /nfs/dbraw/zinc/61/11/90/388611190.db2.gz HPPQFMROMVSFKI-SRVKXCTJSA-N 2 1 241.379 0.674 10 0 BCAEMP [NH3+]CCCCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000069733431 388862787 /nfs/dbraw/zinc/86/27/87/388862787.db2.gz CZNOZEOFYHZDFV-LLVKDONJSA-N 2 1 225.336 0.422 10 0 BCAEMP C[C@@H](C[NH3+])C[NH+]1CCN(c2ccccn2)CC1 ZINC000011804670 132320727 /nfs/dbraw/zinc/32/07/27/132320727.db2.gz GUSUYJGKHOPYNZ-LBPRGKRZSA-N 2 1 234.347 0.798 10 0 BCAEMP C[NH2+]Cc1ccc(N2CC[NH+](C3CC3)CC2)nn1 ZINC000051520923 132361306 /nfs/dbraw/zinc/36/13/06/132361306.db2.gz HVVSOGRKVDCUOS-UHFFFAOYSA-N 2 1 247.346 0.480 10 0 BCAEMP CN(C)c1nc(N2CCC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000068690022 132364914 /nfs/dbraw/zinc/36/49/14/132364914.db2.gz TXOSIZAKJOCYPZ-JTQLQIEISA-N 2 1 235.335 0.718 10 0 BCAEMP O=C1NCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250627418 135056862 /nfs/dbraw/zinc/05/68/62/135056862.db2.gz BTOOIFMNURAVGB-WOPDTQHZSA-N 2 1 237.347 0.481 10 0 BCAEMP O=C1NCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250627418 135056864 /nfs/dbraw/zinc/05/68/64/135056864.db2.gz BTOOIFMNURAVGB-WOPDTQHZSA-N 2 1 237.347 0.481 10 0 BCAEMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[C@H]1[NH3+] ZINC000251792374 135077371 /nfs/dbraw/zinc/07/73/71/135077371.db2.gz NLZILMQWGWJIAO-VHSXEESVSA-N 2 1 235.335 0.716 10 0 BCAEMP [NH3+]CCOCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000086435582 135084762 /nfs/dbraw/zinc/08/47/62/135084762.db2.gz GSNDAPGFAKSWFQ-RYUDHWBXSA-N 2 1 228.336 0.605 10 0 BCAEMP Cn1nccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261568933 135109646 /nfs/dbraw/zinc/10/96/46/135109646.db2.gz FZPPJRLUDJPIAU-ZMLRMANQSA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1nccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261568933 135109648 /nfs/dbraw/zinc/10/96/48/135109648.db2.gz FZPPJRLUDJPIAU-ZMLRMANQSA-N 2 1 220.320 0.589 10 0 BCAEMP C[C@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261530641 135158295 /nfs/dbraw/zinc/15/82/95/135158295.db2.gz CXCGBJBXWCUJOQ-QMMMGPOBSA-N 2 1 210.281 0.760 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000261532381 135162589 /nfs/dbraw/zinc/16/25/89/135162589.db2.gz AGMSZDRYXBMQET-GHMZBOCLSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000261532381 135162591 /nfs/dbraw/zinc/16/25/91/135162591.db2.gz AGMSZDRYXBMQET-GHMZBOCLSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H]1[NH3+] ZINC000261534273 135166418 /nfs/dbraw/zinc/16/64/18/135166418.db2.gz PGEZWPUVLWOURT-RKDXNWHRSA-N 2 1 221.308 0.326 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261536238 135171101 /nfs/dbraw/zinc/17/11/01/135171101.db2.gz QWTFEAJESQVFCK-SECBINFHSA-N 2 1 214.309 0.609 10 0 BCAEMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261540700 135179952 /nfs/dbraw/zinc/17/99/52/135179952.db2.gz AIXFKEBIGHAMGV-SRVKXCTJSA-N 2 1 239.363 0.524 10 0 BCAEMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261540696 135179962 /nfs/dbraw/zinc/17/99/62/135179962.db2.gz AIXFKEBIGHAMGV-QJPTWQEYSA-N 2 1 239.363 0.524 10 0 BCAEMP Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000261541091 135180788 /nfs/dbraw/zinc/18/07/88/135180788.db2.gz FMXXRPQWRSGNHC-SCZZXKLOSA-N 2 1 227.333 0.121 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261551224 135190023 /nfs/dbraw/zinc/19/00/23/135190023.db2.gz LUEPWKHTMQUCPR-NNYUYHANSA-N 2 1 239.363 0.570 10 0 BCAEMP CC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261551224 135190024 /nfs/dbraw/zinc/19/00/24/135190024.db2.gz LUEPWKHTMQUCPR-NNYUYHANSA-N 2 1 239.363 0.570 10 0 BCAEMP C1CC1[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261556528 135196839 /nfs/dbraw/zinc/19/68/39/135196839.db2.gz WADYHBJIOSGKEJ-SRVKXCTJSA-N 2 1 210.321 0.896 10 0 BCAEMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000261560437 135201314 /nfs/dbraw/zinc/20/13/14/135201314.db2.gz UPNKZIAZFPXTTD-WDEREUQCSA-N 2 1 236.319 0.435 10 0 BCAEMP CC1(C)C[N@@H+](CCn2cccn2)CC[C@@H]1[NH3+] ZINC000261588675 135229047 /nfs/dbraw/zinc/22/90/47/135229047.db2.gz SOALQJGAWMECGB-NSHDSACASA-N 2 1 222.336 0.942 10 0 BCAEMP CC1(C)C[N@H+](CCn2cncn2)CC[C@@H]1[NH3+] ZINC000261593960 135234301 /nfs/dbraw/zinc/23/43/01/135234301.db2.gz XEEUYLUWKPDDEG-JTQLQIEISA-N 2 1 223.324 0.337 10 0 BCAEMP CC1(C)C[N@@H+](CCn2cncn2)CC[C@@H]1[NH3+] ZINC000261593960 135234303 /nfs/dbraw/zinc/23/43/03/135234303.db2.gz XEEUYLUWKPDDEG-JTQLQIEISA-N 2 1 223.324 0.337 10 0 BCAEMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261596395 135235738 /nfs/dbraw/zinc/23/57/38/135235738.db2.gz YVCXSOIFGINFPE-QJPTWQEYSA-N 2 1 220.320 0.589 10 0 BCAEMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000261638361 135242931 /nfs/dbraw/zinc/24/29/31/135242931.db2.gz DBBFOCAQQUYQBK-SDDRHHMPSA-N 2 1 240.347 0.869 10 0 BCAEMP CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261871825 135258741 /nfs/dbraw/zinc/25/87/41/135258741.db2.gz DFRNYHFWLAYWSR-XQQFMLRXSA-N 2 1 242.363 0.770 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000261949890 135264993 /nfs/dbraw/zinc/26/49/93/135264993.db2.gz FVFGISMIKJCROX-RVMXOQNASA-N 3 1 223.364 0.655 10 0 BCAEMP C[C@]1(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH2+]C1 ZINC000261949890 135264995 /nfs/dbraw/zinc/26/49/95/135264995.db2.gz FVFGISMIKJCROX-RVMXOQNASA-N 2 1 223.364 0.655 10 0 BCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262013429 135272053 /nfs/dbraw/zinc/27/20/53/135272053.db2.gz OFTJZKSZURGOSS-LLVKDONJSA-N 2 1 241.379 0.914 10 0 BCAEMP C[N@H+](CC(=O)NCC1C[NH2+]C1)Cc1ccccc1 ZINC000262027420 135274003 /nfs/dbraw/zinc/27/40/03/135274003.db2.gz NHODUEKQYBPXJT-UHFFFAOYSA-N 2 1 247.342 0.454 10 0 BCAEMP C[N@@H+](CC(=O)NCC1C[NH2+]C1)Cc1ccccc1 ZINC000262027420 135274005 /nfs/dbraw/zinc/27/40/05/135274005.db2.gz NHODUEKQYBPXJT-UHFFFAOYSA-N 2 1 247.342 0.454 10 0 BCAEMP Cc1ncccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263122468 135333845 /nfs/dbraw/zinc/33/38/45/135333845.db2.gz BAXVIHSFZMBHDC-VXGBXAGGSA-N 2 1 221.304 0.060 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000263217824 135340125 /nfs/dbraw/zinc/34/01/25/135340125.db2.gz LEJWPZJSPAHLBD-CHWSQXEVSA-N 2 1 247.342 0.325 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC000263216199 135340480 /nfs/dbraw/zinc/34/04/80/135340480.db2.gz KXRXQEKXLPUISP-CMPLNLGQSA-N 2 1 224.279 0.496 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000263225308 135341069 /nfs/dbraw/zinc/34/10/69/135341069.db2.gz MSLMBJAKIOWNRO-JOYOIKCWSA-N 2 1 242.269 0.635 10 0 BCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[N@H+]1CCC[C@H](C)C1 ZINC000263260219 135343584 /nfs/dbraw/zinc/34/35/84/135343584.db2.gz GFDGARKWMPDBSB-WDEREUQCSA-N 2 1 239.363 0.442 10 0 BCAEMP CC(C)n1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263312594 135346094 /nfs/dbraw/zinc/34/60/94/135346094.db2.gz YZHBQUIHZPGWES-NEPJUHHUSA-N 2 1 238.335 0.134 10 0 BCAEMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[NH3+] ZINC000383405766 398018596 /nfs/dbraw/zinc/01/85/96/398018596.db2.gz AGKCUIXWDAOWOX-NEPJUHHUSA-N 2 1 211.353 0.894 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000662401001 487598933 /nfs/dbraw/zinc/59/89/33/487598933.db2.gz HOTUATCGEDLIFU-MNOVXSKESA-N 2 1 227.352 0.585 10 0 BCAEMP COC[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)OC ZINC000662267613 409570010 /nfs/dbraw/zinc/57/00/10/409570010.db2.gz WEPRMGCSBWYIHA-VXGBXAGGSA-N 2 1 230.352 0.722 10 0 BCAEMP Cn1cc([C@H]2CCC[N@H+]2CCC[NH3+])cn1 ZINC000308814152 409907928 /nfs/dbraw/zinc/90/79/28/409907928.db2.gz ANVQRJCSEYIZBB-LLVKDONJSA-N 2 1 208.309 0.906 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000335478684 410439978 /nfs/dbraw/zinc/43/99/78/410439978.db2.gz DYSBETHADSCIJZ-SNVBAGLBSA-N 2 1 225.336 0.196 10 0 BCAEMP CC(C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000036950451 167115285 /nfs/dbraw/zinc/11/52/85/167115285.db2.gz YHAPTKRSURTVKN-NSHDSACASA-N 2 1 200.326 0.831 10 0 BCAEMP CC(C)[C@@H](C)N(C)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990282 167371174 /nfs/dbraw/zinc/37/11/74/167371174.db2.gz QQJHYKRXQWNNKI-NEPJUHHUSA-N 2 1 213.369 0.996 10 0 BCAEMP CC(C)[C@@H](C)N(C)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990282 167371177 /nfs/dbraw/zinc/37/11/77/167371177.db2.gz QQJHYKRXQWNNKI-NEPJUHHUSA-N 2 1 213.369 0.996 10 0 BCAEMP CC(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310217769 411225402 /nfs/dbraw/zinc/22/54/02/411225402.db2.gz FKTUCLGDWAUPAH-DGCLKSJQSA-N 2 1 244.379 0.438 10 0 BCAEMP CC(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310217769 411225404 /nfs/dbraw/zinc/22/54/04/411225404.db2.gz FKTUCLGDWAUPAH-DGCLKSJQSA-N 2 1 244.379 0.438 10 0 BCAEMP Nc1cc([C@H]2CCCN(CC[NH3+])C2)cc[nH+]1 ZINC000616622025 411287443 /nfs/dbraw/zinc/28/74/43/411287443.db2.gz YJVZPUOZIGWUKO-NSHDSACASA-N 2 1 220.320 0.802 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CCC[N@@H+](C)CC1 ZINC000128884383 411293423 /nfs/dbraw/zinc/29/34/23/411293423.db2.gz AJFWRPASANVJJZ-LLVKDONJSA-N 2 1 227.352 0.524 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000401741758 411310722 /nfs/dbraw/zinc/31/07/22/411310722.db2.gz HIEIVJJGHRHCDO-GARJFASQSA-N 2 1 214.353 0.981 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CC[N@@H+]1C ZINC000658352912 411356049 /nfs/dbraw/zinc/35/60/49/411356049.db2.gz BYFRNULKXVIDHN-QTAHKJALSA-N 2 1 212.337 0.830 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)CC[N@H+]1C ZINC000658352912 411356051 /nfs/dbraw/zinc/35/60/51/411356051.db2.gz BYFRNULKXVIDHN-QTAHKJALSA-N 2 1 212.337 0.830 10 0 BCAEMP CN(C)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000062965808 411334506 /nfs/dbraw/zinc/33/45/06/411334506.db2.gz ROLFXWSDLCDFGH-LBPRGKRZSA-N 2 1 211.353 0.622 10 0 BCAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000070619047 411440544 /nfs/dbraw/zinc/44/05/44/411440544.db2.gz QSMPNUYFXPRVEX-ZYHUDNBSSA-N 2 1 225.336 0.339 10 0 BCAEMP CC[NH+]1CCN([C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000037157941 169998663 /nfs/dbraw/zinc/99/86/63/169998663.db2.gz KNVQSUQCSHQVHY-NEPJUHHUSA-N 2 1 211.353 0.751 10 0 BCAEMP CC[N@H+]1CC[C@@H](CN2CC[C@H]([NH2+]C)C2=O)C1 ZINC000049648812 170006861 /nfs/dbraw/zinc/00/68/61/170006861.db2.gz XUXPXBSUTWMYJJ-MNOVXSKESA-N 2 1 225.336 0.149 10 0 BCAEMP CC[N@H+]1CC[C@H](CN2CCC[NH2+]CC2)C1 ZINC000049660623 170013827 /nfs/dbraw/zinc/01/38/27/170013827.db2.gz VVVFVWHGSHCDAM-LBPRGKRZSA-N 2 1 211.353 0.624 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000246933203 170015774 /nfs/dbraw/zinc/01/57/74/170015774.db2.gz NRNQIYXRAOIHOW-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP CCNC(=O)CCN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000051759043 170053094 /nfs/dbraw/zinc/05/30/94/170053094.db2.gz MGIUTSHTHVRYIU-NWDGAFQWSA-N 2 1 239.363 0.729 10 0 BCAEMP CCNC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000051759043 170053096 /nfs/dbraw/zinc/05/30/96/170053096.db2.gz MGIUTSHTHVRYIU-NWDGAFQWSA-N 2 1 239.363 0.729 10 0 BCAEMP CCNC(=O)C[N@H+](C)Cc1ccccc1C[NH3+] ZINC000037757762 170055464 /nfs/dbraw/zinc/05/54/64/170055464.db2.gz PZLLPIRPALZZIR-UHFFFAOYSA-N 2 1 235.331 0.713 10 0 BCAEMP CCNC(=O)C[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000037757762 170055465 /nfs/dbraw/zinc/05/54/65/170055465.db2.gz PZLLPIRPALZZIR-UHFFFAOYSA-N 2 1 235.331 0.713 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904904 170088554 /nfs/dbraw/zinc/08/85/54/170088554.db2.gz AOKWZMJKEHFTRH-MNOVXSKESA-N 2 1 239.363 0.585 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904904 170088555 /nfs/dbraw/zinc/08/85/55/170088555.db2.gz AOKWZMJKEHFTRH-MNOVXSKESA-N 2 1 239.363 0.585 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061274406 170139158 /nfs/dbraw/zinc/13/91/58/170139158.db2.gz TWJZHBRRVYFPRG-QWRGUYRKSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+][C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061274407 170157250 /nfs/dbraw/zinc/15/72/50/170157250.db2.gz TWJZHBRRVYFPRG-MNOVXSKESA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000104414851 170158470 /nfs/dbraw/zinc/15/84/70/170158470.db2.gz PXVCVRLABNZLJH-CHWSQXEVSA-N 2 1 244.379 0.705 10 0 BCAEMP CC[NH2+][C@H](CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000062439398 170161266 /nfs/dbraw/zinc/16/12/66/170161266.db2.gz JTUXEBBWONDJIG-GRYCIOLGSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@H](CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000062439398 170161268 /nfs/dbraw/zinc/16/12/68/170161268.db2.gz JTUXEBBWONDJIG-GRYCIOLGSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@](C)(CC[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428655 170170613 /nfs/dbraw/zinc/17/06/13/170170613.db2.gz QUAOIRMUKQEBTQ-GMXVVIOVSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[NH2+][C@](C)(CC[N@@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104428655 170170614 /nfs/dbraw/zinc/17/06/14/170170614.db2.gz QUAOIRMUKQEBTQ-GMXVVIOVSA-N 2 1 241.379 0.818 10 0 BCAEMP CC[C@@H]1C[N@H+](C[C@]2(C[NH3+])CCOC2)CCO1 ZINC000051217062 171086050 /nfs/dbraw/zinc/08/60/50/171086050.db2.gz HPIWSOOABDJCEK-VXGBXAGGSA-N 2 1 228.336 0.463 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@]2(C[NH3+])CCOC2)CCO1 ZINC000051217062 171086051 /nfs/dbraw/zinc/08/60/51/171086051.db2.gz HPIWSOOABDJCEK-VXGBXAGGSA-N 2 1 228.336 0.463 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000662448962 412177769 /nfs/dbraw/zinc/17/77/69/412177769.db2.gz RGRGZIBYTSIXKB-QWRGUYRKSA-N 2 1 225.336 0.291 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000662486347 412191219 /nfs/dbraw/zinc/19/12/19/412191219.db2.gz AMSUUHUGLQHQMG-RYUDHWBXSA-N 2 1 241.379 0.927 10 0 BCAEMP CN(C)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750474 172358908 /nfs/dbraw/zinc/35/89/08/172358908.db2.gz FKNOBXWPEWIIQQ-FGWVZKOKSA-N 2 1 225.336 0.419 10 0 BCAEMP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567331 172360729 /nfs/dbraw/zinc/36/07/29/172360729.db2.gz QOUJNBIEOKZDDT-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP CN(C)C(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567331 172360731 /nfs/dbraw/zinc/36/07/31/172360731.db2.gz QOUJNBIEOKZDDT-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000044564526 173009435 /nfs/dbraw/zinc/00/94/35/173009435.db2.gz ICTGDMFUHUPANB-VIFPVBQESA-N 2 1 213.325 0.324 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116605 173010403 /nfs/dbraw/zinc/01/04/03/173010403.db2.gz ITWVYLAYQVFOCB-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CCCN(C2(C[NH3+])CCSCC2)CC1 ZINC000042334974 173014964 /nfs/dbraw/zinc/01/49/64/173014964.db2.gz RYVWYFUDUGADFM-UHFFFAOYSA-N 2 1 243.420 0.848 10 0 BCAEMP C[N@H+]1CCCN(C[C@](C)([NH3+])C2CC2)CC1 ZINC000037479191 173016357 /nfs/dbraw/zinc/01/63/57/173016357.db2.gz OKQZTUVKYIANCD-LBPRGKRZSA-N 2 1 211.353 0.751 10 0 BCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CC[NH2+]C1 ZINC000246238257 173038253 /nfs/dbraw/zinc/03/82/53/173038253.db2.gz IKRWYFOXOSLZAH-RYUDHWBXSA-N 2 1 239.363 0.396 10 0 BCAEMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000044532686 173041651 /nfs/dbraw/zinc/04/16/51/173041651.db2.gz VBBHYPUUGKXEMM-OPGSHWCFSA-N 2 1 244.404 0.829 10 0 BCAEMP C[N@H+]1CCC[C@H](C[NH2+]C2CCS(=O)CC2)C1 ZINC000044532686 173041652 /nfs/dbraw/zinc/04/16/52/173041652.db2.gz VBBHYPUUGKXEMM-OPGSHWCFSA-N 2 1 244.404 0.829 10 0 BCAEMP Cn1ccnc1CC[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000054243447 173042567 /nfs/dbraw/zinc/04/25/67/173042567.db2.gz NNUNNIWUNLLOAC-GFCCVEGCSA-N 2 1 236.363 0.894 10 0 BCAEMP CN(C(=O)[C@@H]1CCCC[NH2+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245677 173043610 /nfs/dbraw/zinc/04/36/10/173043610.db2.gz SXARZMNYQWKRFM-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CN(C[C@]1(C[NH3+])CCOC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053248828 173043690 /nfs/dbraw/zinc/04/36/90/173043690.db2.gz MRJKFGGMDOQBCP-QWHCGFSZSA-N 2 1 241.379 0.378 10 0 BCAEMP C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CC[NH3+])C1 ZINC000096986180 173069421 /nfs/dbraw/zinc/06/94/21/173069421.db2.gz HCKZOVMFOPWRJL-JTQLQIEISA-N 2 1 243.351 0.886 10 0 BCAEMP C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CC[NH3+])C1 ZINC000096986180 173069424 /nfs/dbraw/zinc/06/94/24/173069424.db2.gz HCKZOVMFOPWRJL-JTQLQIEISA-N 2 1 243.351 0.886 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000055085911 173071403 /nfs/dbraw/zinc/07/14/03/173071403.db2.gz FOUUSIWQWHGEGE-QWRGUYRKSA-N 2 1 225.336 0.278 10 0 BCAEMP C[NH+]1CCN(Cc2ccccc2CC[NH3+])CC1 ZINC000070542498 173089374 /nfs/dbraw/zinc/08/93/74/173089374.db2.gz PRODRSWAYYJXJM-UHFFFAOYSA-N 2 1 233.359 0.935 10 0 BCAEMP C[NH+]1CCN([C@@]2(C[NH3+])CCCSC2)CC1 ZINC000061589841 173095236 /nfs/dbraw/zinc/09/52/36/173095236.db2.gz JBGPGOFPVYVHNQ-LLVKDONJSA-N 2 1 229.393 0.458 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1ccncc1 ZINC000071188133 173111742 /nfs/dbraw/zinc/11/17/42/173111742.db2.gz OPIPAEMTIXMACU-OCCSQVGLSA-N 2 1 248.374 0.965 10 0 BCAEMP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC1CC[NH2+]CC1 ZINC000070822187 173112780 /nfs/dbraw/zinc/11/27/80/173112780.db2.gz SXFLGKYALRYFGT-CYBMUJFWSA-N 2 1 225.380 0.870 10 0 BCAEMP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1CC[NH2+]CC1 ZINC000070822187 173112781 /nfs/dbraw/zinc/11/27/81/173112781.db2.gz SXFLGKYALRYFGT-CYBMUJFWSA-N 3 1 225.380 0.870 10 0 BCAEMP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1CC[NH2+]CC1 ZINC000070822187 173112783 /nfs/dbraw/zinc/11/27/83/173112783.db2.gz SXFLGKYALRYFGT-CYBMUJFWSA-N 3 1 225.380 0.870 10 0 BCAEMP CN1CC[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)C1 ZINC000070822187 173112785 /nfs/dbraw/zinc/11/27/85/173112785.db2.gz SXFLGKYALRYFGT-CYBMUJFWSA-N 2 1 225.380 0.870 10 0 BCAEMP CN1CC[C@@H](C[N@@H+](C)CC2CC[NH2+]CC2)C1 ZINC000070822187 173112787 /nfs/dbraw/zinc/11/27/87/173112787.db2.gz SXFLGKYALRYFGT-CYBMUJFWSA-N 2 1 225.380 0.870 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000071189628 173113850 /nfs/dbraw/zinc/11/38/50/173113850.db2.gz LDGIFKADRRVJEG-NEPJUHHUSA-N 2 1 239.363 0.539 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000042549145 173122604 /nfs/dbraw/zinc/12/26/04/173122604.db2.gz BPCANHDGLCBBRC-SNVBAGLBSA-N 2 1 225.336 0.468 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000042549419 173122658 /nfs/dbraw/zinc/12/26/58/173122658.db2.gz YNTPCXSPUTZPTP-WDEREUQCSA-N 2 1 225.336 0.339 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000042549067 173122825 /nfs/dbraw/zinc/12/28/25/173122825.db2.gz XJTUVDKDKYZXCD-OLZOCXBDSA-N 2 1 247.342 0.897 10 0 BCAEMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2C[NH2+]C2)C1 ZINC000336598811 173135172 /nfs/dbraw/zinc/13/51/72/173135172.db2.gz RKWWPAMTUAOZAP-ZYHUDNBSSA-N 2 1 237.347 0.149 10 0 BCAEMP C[N@@H+]1CC[C@@](C[NH3+])(N2CCCCCC2)C1 ZINC000061990022 173135690 /nfs/dbraw/zinc/13/56/90/173135690.db2.gz DNLFQNTYXKAJJJ-LBPRGKRZSA-N 2 1 211.353 0.895 10 0 BCAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCCCCC2)C1 ZINC000061990022 173135692 /nfs/dbraw/zinc/13/56/92/173135692.db2.gz DNLFQNTYXKAJJJ-LBPRGKRZSA-N 2 1 211.353 0.895 10 0 BCAEMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000044528712 173141603 /nfs/dbraw/zinc/14/16/03/173141603.db2.gz LUZHZUPIWKVPOU-MNOVXSKESA-N 2 1 225.336 0.135 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136201517 173145664 /nfs/dbraw/zinc/14/56/64/173145664.db2.gz LRKXVBWEGBOLRX-YPMHNXCESA-N 2 1 239.363 0.587 10 0 BCAEMP CN([C@@H]1CCSC1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990223 173163475 /nfs/dbraw/zinc/16/34/75/173163475.db2.gz CMNRSZFJEDMQAG-GHMZBOCLSA-N 2 1 229.393 0.457 10 0 BCAEMP CN([C@@H]1CCSC1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990223 173163477 /nfs/dbraw/zinc/16/34/77/173163477.db2.gz CMNRSZFJEDMQAG-GHMZBOCLSA-N 2 1 229.393 0.457 10 0 BCAEMP CNC(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000037270058 173272086 /nfs/dbraw/zinc/27/20/86/173272086.db2.gz LEBZWPUYNCQSEH-MNOVXSKESA-N 2 1 227.352 0.572 10 0 BCAEMP CNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000042220906 173295148 /nfs/dbraw/zinc/29/51/48/173295148.db2.gz WZYFQQIFCCQMLS-SNVBAGLBSA-N 2 1 227.352 0.583 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000042394246 173298977 /nfs/dbraw/zinc/29/89/77/173298977.db2.gz UNIKUAJGELUIOZ-RYUDHWBXSA-N 2 1 239.363 0.729 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000042394246 173298978 /nfs/dbraw/zinc/29/89/78/173298978.db2.gz UNIKUAJGELUIOZ-RYUDHWBXSA-N 2 1 239.363 0.729 10 0 BCAEMP CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C[NH3+] ZINC000037757709 173301604 /nfs/dbraw/zinc/30/16/04/173301604.db2.gz UYSGTQOKEFPRIE-JTQLQIEISA-N 2 1 235.331 0.712 10 0 BCAEMP CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C[NH3+] ZINC000037757709 173301605 /nfs/dbraw/zinc/30/16/05/173301605.db2.gz UYSGTQOKEFPRIE-JTQLQIEISA-N 2 1 235.331 0.712 10 0 BCAEMP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH2+]CC1 ZINC000038041422 173304700 /nfs/dbraw/zinc/30/47/00/173304700.db2.gz VNIBVMKZONJRPO-NSHDSACASA-N 2 1 227.352 0.489 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000061300310 173317446 /nfs/dbraw/zinc/31/74/46/173317446.db2.gz GORJPDXMRPULMW-UHFFFAOYSA-N 2 1 213.325 0.149 10 0 BCAEMP C[NH2+]C1CCN(C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037485131 173323393 /nfs/dbraw/zinc/32/33/93/173323393.db2.gz VIAOTWDHEZTKLE-NSHDSACASA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)(C)C(N)=O ZINC000054602636 173324419 /nfs/dbraw/zinc/32/44/19/173324419.db2.gz VTZFRAGRNIGPSL-FGWVZKOKSA-N 2 1 239.363 0.855 10 0 BCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)(C)C(N)=O ZINC000054602636 173324420 /nfs/dbraw/zinc/32/44/20/173324420.db2.gz VTZFRAGRNIGPSL-FGWVZKOKSA-N 2 1 239.363 0.855 10 0 BCAEMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000249638811 173332568 /nfs/dbraw/zinc/33/25/68/173332568.db2.gz XIQPPPOHBZQSTE-JSGCOSHPSA-N 2 1 247.342 0.767 10 0 BCAEMP C[NH2+]CCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000053245651 173339508 /nfs/dbraw/zinc/33/95/08/173339508.db2.gz MMGYVRHNVAKXQH-SNVBAGLBSA-N 2 1 213.325 0.149 10 0 BCAEMP C[NH2+]C[C@@H](C(C)C)N1CCC[N@@H+](C)CC1 ZINC000052424037 173361565 /nfs/dbraw/zinc/36/15/65/173361565.db2.gz YDQPJTFNWYHKCF-LBPRGKRZSA-N 2 1 213.369 0.868 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 ZINC000053033591 173369828 /nfs/dbraw/zinc/36/98/28/173369828.db2.gz GVJDWDHIPAFJPV-ZDUSSCGKSA-N 3 1 225.380 0.870 10 0 BCAEMP 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211.353 0.764 10 0 BCAEMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1N(C)C ZINC000251593642 177246363 /nfs/dbraw/zinc/24/63/63/177246363.db2.gz CVOYFADXKHVZAL-WCQYABFASA-N 2 1 225.380 0.868 10 0 BCAEMP C[C@H]1C[N@H+](Cc2cccnc2C(N)=[NH2+])CCCO1 ZINC000061918991 177266104 /nfs/dbraw/zinc/26/61/04/177266104.db2.gz QTUQZQVVIUMWRW-JTQLQIEISA-N 2 1 248.330 0.976 10 0 BCAEMP C[C@H]1C[N@@H+](Cc2cccnc2C(N)=[NH2+])CCCO1 ZINC000061918991 177266105 /nfs/dbraw/zinc/26/61/05/177266105.db2.gz QTUQZQVVIUMWRW-JTQLQIEISA-N 2 1 248.330 0.976 10 0 BCAEMP C[C@H]1C[C@H]([NH2+]CCn2cncn2)CC[N@H+]1C ZINC000336679056 177370339 /nfs/dbraw/zinc/37/03/39/177370339.db2.gz WZLKVXLPENRHHM-WDEREUQCSA-N 2 1 223.324 0.350 10 0 BCAEMP C[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000111732894 177379172 /nfs/dbraw/zinc/37/91/72/177379172.db2.gz NIBZVOSJZYVJRO-SRVKXCTJSA-N 2 1 239.363 0.395 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]([NH3+])C(C)C ZINC000228479538 487656898 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AVEHEQOGFLIYCX-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000389170702 488079298 /nfs/dbraw/zinc/07/92/98/488079298.db2.gz NSMFRQOPHROKJI-QWRGUYRKSA-N 2 1 227.352 0.714 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000257771884 488087768 /nfs/dbraw/zinc/08/77/68/488087768.db2.gz OMGJTPSMIVSZIR-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP COCC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136454847 488103622 /nfs/dbraw/zinc/10/36/22/488103622.db2.gz YIEDWVOQQYRJPZ-NSHDSACASA-N 2 1 245.367 0.054 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000136445005 488103444 /nfs/dbraw/zinc/10/34/44/488103444.db2.gz NXCUJVTUGOFHLJ-RYUDHWBXSA-N 2 1 241.379 0.818 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000389825372 488114662 /nfs/dbraw/zinc/11/46/62/488114662.db2.gz VDPIJVBKMYZJOI-NEPJUHHUSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000389825373 488115035 /nfs/dbraw/zinc/11/50/35/488115035.db2.gz VDPIJVBKMYZJOI-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000389825375 488114772 /nfs/dbraw/zinc/11/47/72/488114772.db2.gz VDPIJVBKMYZJOI-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000324238155 487562267 /nfs/dbraw/zinc/56/22/67/487562267.db2.gz AKLREDSGRMPJAL-RYUDHWBXSA-N 2 1 244.379 0.438 10 0 BCAEMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000324238155 487562272 /nfs/dbraw/zinc/56/22/72/487562272.db2.gz AKLREDSGRMPJAL-RYUDHWBXSA-N 2 1 244.379 0.438 10 0 BCAEMP CCc1nc(NCC[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000336686171 490102212 /nfs/dbraw/zinc/10/22/12/490102212.db2.gz KWRCPDGSEFEIER-QMMMGPOBSA-N 2 1 208.309 1.497 10 0 BCAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CC1(COC1)CO2 ZINC000757147661 582531627 /nfs/dbraw/zinc/53/16/27/582531627.db2.gz SOFMPPFUVCEING-GFCCVEGCSA-N 2 1 226.320 0.435 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261541556 535648702 /nfs/dbraw/zinc/64/87/02/535648702.db2.gz BHUMVCMETGYWPG-YFKTTZPYSA-N 2 1 240.347 0.997 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261541556 535648707 /nfs/dbraw/zinc/64/87/07/535648707.db2.gz BHUMVCMETGYWPG-YFKTTZPYSA-N 2 1 240.347 0.997 10 0 BCAEMP CCc1nc(NC[C@@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000261548548 536126444 /nfs/dbraw/zinc/12/64/44/536126444.db2.gz JOYPNTMDBWRYTE-JTQLQIEISA-N 2 1 236.319 0.748 10 0 BCAEMP C[N@H+]1CCCN(c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC000229012376 523813303 /nfs/dbraw/zinc/81/33/03/523813303.db2.gz BLOWGJVMKACZFN-UHFFFAOYSA-N 2 1 247.346 0.264 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000085010888 536477039 /nfs/dbraw/zinc/47/70/39/536477039.db2.gz VTSAXJRITXTPEV-MXWKQRLJSA-N 2 1 225.336 0.182 10 0 BCAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C[NH+](C)C ZINC000177423928 535584633 /nfs/dbraw/zinc/58/46/33/535584633.db2.gz ZORNGBYQEDJLNI-NSHDSACASA-N 2 1 227.352 0.491 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[NH+](C)C ZINC000177423928 535584640 /nfs/dbraw/zinc/58/46/40/535584640.db2.gz ZORNGBYQEDJLNI-NSHDSACASA-N 2 1 227.352 0.491 10 0 BCAEMP CC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000251050572 535980104 /nfs/dbraw/zinc/98/01/04/535980104.db2.gz GAHNXBKLQJUTEV-QWRGUYRKSA-N 2 1 200.326 0.641 10 0 BCAEMP CC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000251050572 535980097 /nfs/dbraw/zinc/98/00/97/535980097.db2.gz GAHNXBKLQJUTEV-QWRGUYRKSA-N 2 1 200.326 0.641 10 0 BCAEMP CC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000251050572 535980099 /nfs/dbraw/zinc/98/00/99/535980099.db2.gz GAHNXBKLQJUTEV-QWRGUYRKSA-N 2 1 200.326 0.641 10 0 BCAEMP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261541313 536373133 /nfs/dbraw/zinc/37/31/33/536373133.db2.gz JSDYCLKLWISTJC-AAEUAGOBSA-N 2 1 239.363 0.444 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000085012929 536383951 /nfs/dbraw/zinc/38/39/51/536383951.db2.gz OZRHZZTZRBUMRX-ZJUUUORDSA-N 2 1 225.336 0.324 10 0 BCAEMP NC(=O)[C@@H]1CC[N@H+]1CCC[C@H]1CCC[NH2+]1 ZINC000757140888 582521323 /nfs/dbraw/zinc/52/13/23/582521323.db2.gz BPUXWACFOACMQK-ZJUUUORDSA-N 2 1 211.309 0.078 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]1C[NH3+] ZINC000757146483 582530561 /nfs/dbraw/zinc/53/05/61/582530561.db2.gz RDPVMKHJJGEGON-VXGBXAGGSA-N 2 1 211.353 0.894 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757216497 582561493 /nfs/dbraw/zinc/56/14/93/582561493.db2.gz PVYMVGUWTKBBSH-DDHJBXDOSA-N 3 1 211.353 0.701 10 0 BCAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C(C)C)C(N)=O ZINC000045430456 582878184 /nfs/dbraw/zinc/87/81/84/582878184.db2.gz QCKJNHRLAKCZPC-QMMMGPOBSA-N 2 1 210.281 0.080 10 0 BCAEMP C[NH+]1CCC(c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000211386419 583991554 /nfs/dbraw/zinc/99/15/54/583991554.db2.gz IEPSVXKTHIAFFH-UHFFFAOYSA-N 2 1 220.320 0.865 10 0 BCAEMP COC[C@@H](C[N@@H+]1CC[C@H]1C[NH3+])C(C)C ZINC000757157436 586430452 /nfs/dbraw/zinc/43/04/52/586430452.db2.gz NDJOQNFGYZIDDA-MNOVXSKESA-N 2 1 200.326 0.938 10 0 BCAEMP COC[C@@H](C[N@H+]1CC[C@H]1C[NH3+])C(C)C ZINC000757157436 586430454 /nfs/dbraw/zinc/43/04/54/586430454.db2.gz NDJOQNFGYZIDDA-MNOVXSKESA-N 2 1 200.326 0.938 10 0 BCAEMP CCOC(=O)[C@H]1C[NH2+]C[C@]12CC[N@H+](C)C2 ZINC000757186061 586434415 /nfs/dbraw/zinc/43/44/15/586434415.db2.gz VMXWYPMGLCLVLY-KOLCDFICSA-N 2 1 212.293 0.091 10 0 BCAEMP CCOC(=O)[C@H]1C[NH2+]C[C@]12CC[N@@H+](C)C2 ZINC000757186061 586434417 /nfs/dbraw/zinc/43/44/17/586434417.db2.gz VMXWYPMGLCLVLY-KOLCDFICSA-N 2 1 212.293 0.091 10 0 BCAEMP N[C@@H]1CCC[NH2+][C@H]1c1cccc(C[NH3+])c1 ZINC000757215127 586440350 /nfs/dbraw/zinc/44/03/50/586440350.db2.gz NIOPPBSWFWPYQV-NEPJUHHUSA-N 2 1 205.305 0.897 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@@H]([C@H]2CCC[NH2+]C2)[NH2+]1 ZINC000757216501 586441070 /nfs/dbraw/zinc/44/10/70/586441070.db2.gz PVYMVGUWTKBBSH-WYUUTHIRSA-N 3 1 211.353 0.701 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2C[C@H]([NH3+])CCN2)c1 ZINC000757220800 586442432 /nfs/dbraw/zinc/44/24/32/586442432.db2.gz ZNMBEPAUNRTIPY-VXGBXAGGSA-N 2 1 205.305 0.897 10 0 BCAEMP C[C@H](C[NH3+])N(C)c1cc[nH+]c(N(C)C)n1 ZINC000125498903 590166506 /nfs/dbraw/zinc/16/65/06/590166506.db2.gz LFOLSGVUXIKAPW-MRVPVSSYSA-N 2 1 209.297 0.326 10 0 BCAEMP C[C@@H]1C[C@@H](C[NH3+])CN1c1cc[nH+]c(N(C)C)n1 ZINC000216154262 592011829 /nfs/dbraw/zinc/01/18/29/592011829.db2.gz SERSCWAWPJPKQL-ZJUUUORDSA-N 2 1 235.335 0.716 10 0 BCAEMP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000086471380 632650601 /nfs/dbraw/zinc/65/06/01/632650601.db2.gz BZJCDDQCDJVIIA-VHSXEESVSA-N 2 1 235.335 0.729 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310450190 632741907 /nfs/dbraw/zinc/74/19/07/632741907.db2.gz VJMOEAXFCWUKTN-RNJOBUHISA-N 2 1 242.363 0.441 10 0 BCAEMP Cc1[nH+]cn(C[C@H]([NH2+]C2CC2)C(N)=O)c1C ZINC000051928299 632766140 /nfs/dbraw/zinc/76/61/40/632766140.db2.gz SBZATHLPUJZNFC-JTQLQIEISA-N 2 1 222.292 0.106 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000235665086 632809335 /nfs/dbraw/zinc/80/93/35/632809335.db2.gz QAUOMXKOCLTFLF-RHYQMDGZSA-N 2 1 212.337 0.951 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NCC[N@@H+](CC)CCC ZINC000220044531 635300082 /nfs/dbraw/zinc/30/00/82/635300082.db2.gz VPHURFQQBGUKOX-NSHDSACASA-N 2 1 229.368 0.962 10 0 BCAEMP Cc1cc(NCC[NH+]2CCC([NH3+])CC2)ncn1 ZINC000321382676 636641323 /nfs/dbraw/zinc/64/13/23/636641323.db2.gz PSVOLCAEINVJIX-UHFFFAOYSA-N 2 1 235.335 0.620 10 0 BCAEMP CN(C)c1nc(NCC[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000085432164 636877457 /nfs/dbraw/zinc/87/74/57/636877457.db2.gz HUIQJXSAHLJUPZ-JTQLQIEISA-N 2 1 235.335 0.954 10 0 BCAEMP CC(C)c1[nH+]ccn1CC[C@](C)([NH3+])C(N)=O ZINC000045430722 640558162 /nfs/dbraw/zinc/55/81/62/640558162.db2.gz WSFLHLQTXNPUHF-NSHDSACASA-N 2 1 224.308 0.599 10 0 BCAEMP CCc1[nH+]ccn1CCC[C@](C)([NH3+])C(N)=O ZINC000045460321 640566401 /nfs/dbraw/zinc/56/64/01/640566401.db2.gz NUTUKDYOPHDDTG-NSHDSACASA-N 2 1 224.308 0.428 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157596004 640697165 /nfs/dbraw/zinc/69/71/65/640697165.db2.gz ZGOPTWBNDHSSRV-GHMZBOCLSA-N 2 1 227.352 0.570 10 0 BCAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000226426197 640763869 /nfs/dbraw/zinc/76/38/69/640763869.db2.gz DRADVRPGYITMSL-NSHDSACASA-N 2 1 200.326 0.962 10 0 BCAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCCCO ZINC000226426197 640763875 /nfs/dbraw/zinc/76/38/75/640763875.db2.gz DRADVRPGYITMSL-NSHDSACASA-N 2 1 200.326 0.962 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226465477 640767634 /nfs/dbraw/zinc/76/76/34/640767634.db2.gz ZREIEVSWKCFDMA-CHWSQXEVSA-N 2 1 244.379 0.846 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000159012742 641661834 /nfs/dbraw/zinc/66/18/34/641661834.db2.gz BLWPAGBMUAVNDH-NWDGAFQWSA-N 2 1 239.363 0.714 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170920 642985357 /nfs/dbraw/zinc/98/53/57/642985357.db2.gz GAGWNAZZAJXHJW-CHWSQXEVSA-N 2 1 244.379 0.833 10 0 BCAEMP Cc1[nH+]cn([C@H](C)C[C@@](C)([NH3+])C(N)=O)c1C ZINC000082800574 643381916 /nfs/dbraw/zinc/38/19/16/643381916.db2.gz FRQBHTCMMAKIJY-RDDDGLTNSA-N 2 1 224.308 0.654 10 0 BCAEMP C[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1C)C(N)=O ZINC000082800224 643382023 /nfs/dbraw/zinc/38/20/23/643382023.db2.gz YCTJIUDWRCLFBC-KCJUWKMLSA-N 2 1 224.308 0.606 10 0 BCAEMP CCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800566 643382819 /nfs/dbraw/zinc/38/28/19/643382819.db2.gz QLQCGWJPLUNQGY-LDYMZIIASA-N 2 1 224.308 0.599 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932258 644293146 /nfs/dbraw/zinc/29/31/46/644293146.db2.gz SSMHAABMDSFMBX-GMTAPVOTSA-N 2 1 225.336 0.419 10 0 BCAEMP CC[NH2+]CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000250773046 644779219 /nfs/dbraw/zinc/77/92/19/644779219.db2.gz ZQUOPYHAHBUQME-MNOVXSKESA-N 2 1 225.336 0.291 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000251839491 644826898 /nfs/dbraw/zinc/82/68/98/644826898.db2.gz QHRBJXSDGKURHV-UTUOFQBUSA-N 2 1 230.352 0.441 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H]1CCC[NH2+]1 ZINC000251863203 644828134 /nfs/dbraw/zinc/82/81/34/644828134.db2.gz SROASJUHWMWNBK-UPJWGTAASA-N 2 1 223.364 0.907 10 0 BCAEMP CCn1cc([C@@H]2CC[NH2+][C@H](C[NH3+])C2)cn1 ZINC000757242810 644865169 /nfs/dbraw/zinc/86/51/69/644865169.db2.gz YWXXZIQFXJINRD-KOLCDFICSA-N 2 1 208.309 0.697 10 0 BCAEMP COC[C@@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000252787056 644906522 /nfs/dbraw/zinc/90/65/22/644906522.db2.gz QBYRXJNONYNHRI-QWRGUYRKSA-N 2 1 216.325 0.068 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253169662 644941565 /nfs/dbraw/zinc/94/15/65/644941565.db2.gz DJCHWINMGNDUGA-VXGBXAGGSA-N 2 1 230.352 0.441 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000253169662 644941568 /nfs/dbraw/zinc/94/15/68/644941568.db2.gz DJCHWINMGNDUGA-VXGBXAGGSA-N 2 1 230.352 0.441 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOC3CC3)C[C@H]12 ZINC000711754384 712324731 /nfs/dbraw/zinc/32/47/31/712324731.db2.gz VIPVFAZZRSKLGV-ADEWGFFLSA-N 2 1 210.321 0.835 10 0 BCAEMP C[N@H+]1CCN(C(=O)C2CC([NH3+])C2)CCC1(C)C ZINC000712627430 712438451 /nfs/dbraw/zinc/43/84/51/712438451.db2.gz UHUSYQHZKNSNHS-UHFFFAOYSA-N 2 1 239.363 0.666 10 0 BCAEMP C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000716686449 712570044 /nfs/dbraw/zinc/57/00/44/712570044.db2.gz YLSQZOOGABVXDW-PMUOWJKOSA-N 2 1 225.336 0.371 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901072 711543883 /nfs/dbraw/zinc/54/38/83/711543883.db2.gz MXTQCNOBPMKDSA-NXEZZACHSA-N 2 1 214.309 0.466 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@@H]1C[NH3+] ZINC000724596763 711596546 /nfs/dbraw/zinc/59/65/46/711596546.db2.gz XMQJQPDCHARBPF-BNDIWNMDSA-N 2 1 240.347 0.317 10 0 BCAEMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCO2)CCCO1 ZINC000313333591 711718763 /nfs/dbraw/zinc/71/87/63/711718763.db2.gz FKJPKKKGARFCIZ-QWRGUYRKSA-N 2 1 214.309 0.215 10 0 BCAEMP COC1CC(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000708851858 712201483 /nfs/dbraw/zinc/20/14/83/712201483.db2.gz DHVCJGQMNRYDOQ-VOBJUBJWSA-N 2 1 212.337 0.938 10 0 BCAEMP COCC(COC)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708853622 712201603 /nfs/dbraw/zinc/20/16/03/712201603.db2.gz SQIZZTONWGZRLA-ZJUUUORDSA-N 2 1 216.325 0.174 10 0 BCAEMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000709844063 712229374 /nfs/dbraw/zinc/22/93/74/712229374.db2.gz DAFHTBWVMVXELF-WISYIIOYSA-N 2 1 210.321 0.584 10 0 BCAEMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1CCC[NH2+]1)C2 ZINC000709844063 712229376 /nfs/dbraw/zinc/22/93/76/712229376.db2.gz DAFHTBWVMVXELF-WISYIIOYSA-N 2 1 210.321 0.584 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CC[N@@H+]1C ZINC000716762731 712572897 /nfs/dbraw/zinc/57/28/97/712572897.db2.gz ZLSMRIMDKKTLFK-XEAZBWPWSA-N 2 1 225.336 0.323 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]C2CC(C(N)=O)C2)CC[N@H+]1C ZINC000716762731 712572898 /nfs/dbraw/zinc/57/28/98/712572898.db2.gz ZLSMRIMDKKTLFK-XEAZBWPWSA-N 2 1 225.336 0.323 10 0 BCAEMP O=C1C[C@H]([NH2+]C2CC[NH2+]CC2)CN1CC1CC1 ZINC000716794984 712574371 /nfs/dbraw/zinc/57/43/71/712574371.db2.gz PBDLWKZMQQIFOM-LBPRGKRZSA-N 2 1 237.347 0.339 10 0 BCAEMP C1C[C@H](N[C@H]2CCC[N@H+]3CCSC[C@H]23)C[NH2+]1 ZINC000720484743 712846919 /nfs/dbraw/zinc/84/69/19/712846919.db2.gz RBQGIFJBKJKPGA-SDDRHHMPSA-N 2 1 241.404 0.518 10 0 BCAEMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585083 712854717 /nfs/dbraw/zinc/85/47/17/712854717.db2.gz VJMMCIDETCZBPJ-LPEHRKFASA-N 2 1 223.324 0.736 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720897565 712876409 /nfs/dbraw/zinc/87/64/09/712876409.db2.gz HTKCPCDZEOIPMH-VWYCJHECSA-N 2 1 225.336 0.289 10 0 BCAEMP C[NH2+]CC(F)(F)CN(C)CC[NH+](C)C ZINC000685957984 538905299 /nfs/dbraw/zinc/90/52/99/538905299.db2.gz NJDJSDPGTMGDAS-UHFFFAOYSA-N 2 1 209.284 0.335 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)Cn1cnc(N)c1 ZINC000685964234 538911162 /nfs/dbraw/zinc/91/11/62/538911162.db2.gz STSJXUDNSKFHIR-SECBINFHSA-N 2 1 212.297 0.166 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000380153546 398187548 /nfs/dbraw/zinc/18/75/48/398187548.db2.gz SNDAEPRPPHNIBE-AVGNSLFASA-N 2 1 244.379 0.845 10 0 BCAEMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000263283782 398197159 /nfs/dbraw/zinc/19/71/59/398197159.db2.gz SWEJAHJATFWWBT-RYUDHWBXSA-N 2 1 241.379 0.962 10 0 BCAEMP Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)cc[nH+]1 ZINC000302461242 178170281 /nfs/dbraw/zinc/17/02/81/178170281.db2.gz OYBNRRUBZVSUHJ-ZDUSSCGKSA-N 2 1 232.331 0.802 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)C[NH3+] ZINC000092626317 398235646 /nfs/dbraw/zinc/23/56/46/398235646.db2.gz ISCSGFIQSYVFQL-LLVKDONJSA-N 2 1 241.379 0.914 10 0 BCAEMP C[NH+]1CCN([NH+]=C(N)NCc2ccccc2)CC1 ZINC000306658655 361868976 /nfs/dbraw/zinc/86/89/76/361868976.db2.gz JAVOPMXEZTZRMQ-UHFFFAOYSA-N 2 1 247.346 0.463 10 0 BCAEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH2+]C ZINC000394261675 398288774 /nfs/dbraw/zinc/28/87/74/398288774.db2.gz MHVPLPMPLSZSBP-UTUOFQBUSA-N 2 1 239.363 0.680 10 0 BCAEMP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1CC(C)(C)O ZINC000069722907 342823708 /nfs/dbraw/zinc/82/37/08/342823708.db2.gz ODRGMKGGYRTEKX-NXEZZACHSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1CC(C)(C)O ZINC000069722907 342823710 /nfs/dbraw/zinc/82/37/10/342823710.db2.gz ODRGMKGGYRTEKX-NXEZZACHSA-N 2 1 200.326 0.959 10 0 BCAEMP CCOC[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000381512207 539002788 /nfs/dbraw/zinc/00/27/88/539002788.db2.gz XNVHSEGIEQWYCG-LLVKDONJSA-N 2 1 230.352 0.458 10 0 BCAEMP C[NH+](C)C[C@H]1COC[C@@H]1[NH+]1CCC(CO)CC1 ZINC000725273979 539027012 /nfs/dbraw/zinc/02/70/12/539027012.db2.gz ZVEUBSAZMHRTCB-STQMWFEESA-N 2 1 242.363 0.267 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CC[C@H](N)C(N)=O)[C@@H]1C ZINC000062530725 539016681 /nfs/dbraw/zinc/01/66/81/539016681.db2.gz MMMJKSAGCWIHOB-BBBLOLIVSA-N 2 1 213.325 0.310 10 0 BCAEMP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000167334904 136245761 /nfs/dbraw/zinc/24/57/61/136245761.db2.gz DTEFNRJWMPPQMY-MNOVXSKESA-N 2 1 239.363 0.585 10 0 BCAEMP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CC1 ZINC000094447135 343155849 /nfs/dbraw/zinc/15/58/49/343155849.db2.gz URRDCOOUUWGDML-WDEREUQCSA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1([NH3+])CC1 ZINC000094447135 343155851 /nfs/dbraw/zinc/15/58/51/343155851.db2.gz URRDCOOUUWGDML-WDEREUQCSA-N 2 1 237.347 0.563 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[NH2+]C1CC1 ZINC000094460205 343156107 /nfs/dbraw/zinc/15/61/07/343156107.db2.gz BWHSRGOLFAIYFI-CMPLNLGQSA-N 2 1 237.347 0.434 10 0 BCAEMP C[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000634688256 343246444 /nfs/dbraw/zinc/24/64/44/343246444.db2.gz NGNWUBDIBMRLQA-MNOVXSKESA-N 2 1 222.336 0.489 10 0 BCAEMP CC(C)[N@H+]1CC[C@@]2(C1)OC[C@H](C[NH3+])O2 ZINC000134991794 343352194 /nfs/dbraw/zinc/35/21/94/343352194.db2.gz HBPBZNLTLXSLIJ-VHSXEESVSA-N 2 1 200.282 0.171 10 0 BCAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CCC[NH2+]C1 ZINC000083887482 343505958 /nfs/dbraw/zinc/50/59/58/343505958.db2.gz ZOYRYBRKBSTDNK-LBPRGKRZSA-N 2 1 237.347 0.364 10 0 BCAEMP COC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000379800919 343629183 /nfs/dbraw/zinc/62/91/83/343629183.db2.gz MEHMSFDINSWKKK-UWVGGRQHSA-N 2 1 212.293 0.233 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000379800919 343629184 /nfs/dbraw/zinc/62/91/84/343629184.db2.gz MEHMSFDINSWKKK-UWVGGRQHSA-N 2 1 212.293 0.233 10 0 BCAEMP CC[N@H+]1C[C@@H](C)N(C(=O)C2C[NH2+]C2)C[C@@H]1C ZINC000335894935 344045365 /nfs/dbraw/zinc/04/53/65/344045365.db2.gz DZGFTYVZMJAFKM-VHSXEESVSA-N 2 1 225.336 0.147 10 0 BCAEMP C[C@@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c(N(C)C)n1 ZINC000385223550 344378403 /nfs/dbraw/zinc/37/84/03/344378403.db2.gz HIMXJLJNLUYUPV-RKDXNWHRSA-N 2 1 221.308 0.469 10 0 BCAEMP N[C@@H]1CC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000050227646 344659768 /nfs/dbraw/zinc/65/97/68/344659768.db2.gz XYJYFVPILPFUFB-SNVBAGLBSA-N 2 1 226.320 0.705 10 0 BCAEMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000050227646 344659770 /nfs/dbraw/zinc/65/97/70/344659770.db2.gz XYJYFVPILPFUFB-SNVBAGLBSA-N 2 1 226.320 0.705 10 0 BCAEMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000050227646 344659772 /nfs/dbraw/zinc/65/97/72/344659772.db2.gz XYJYFVPILPFUFB-SNVBAGLBSA-N 2 1 226.320 0.705 10 0 BCAEMP CC(C)[N@H+]1CC[C@]2(C1)OC[C@@H](C[NH3+])O2 ZINC000226770762 344990690 /nfs/dbraw/zinc/99/06/90/344990690.db2.gz HBPBZNLTLXSLIJ-ZJUUUORDSA-N 2 1 200.282 0.171 10 0 BCAEMP O=C1NCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156076643 345123474 /nfs/dbraw/zinc/12/34/74/345123474.db2.gz BTOOIFMNURAVGB-TUAOUCFPSA-N 2 1 237.347 0.481 10 0 BCAEMP O=C1NCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156076643 345123477 /nfs/dbraw/zinc/12/34/77/345123477.db2.gz BTOOIFMNURAVGB-TUAOUCFPSA-N 2 1 237.347 0.481 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000310477906 259383081 /nfs/dbraw/zinc/38/30/81/259383081.db2.gz CGSVYIKEOHTXON-CHWSQXEVSA-N 2 1 241.379 0.079 10 0 BCAEMP CC[NH+](C)C[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310477906 259383082 /nfs/dbraw/zinc/38/30/82/259383082.db2.gz CGSVYIKEOHTXON-CHWSQXEVSA-N 2 1 241.379 0.079 10 0 BCAEMP CC[NH+](C)C[C@@H](O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000310477906 259383084 /nfs/dbraw/zinc/38/30/84/259383084.db2.gz CGSVYIKEOHTXON-CHWSQXEVSA-N 2 1 241.379 0.079 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)CC12CC(C1)C[NH2+]2 ZINC000634994140 345192350 /nfs/dbraw/zinc/19/23/50/345192350.db2.gz SDOLGMRMYIFQEC-HIFPTAJRSA-N 2 1 223.364 0.622 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)CC12CC(C1)C[NH2+]2 ZINC000634994141 345192698 /nfs/dbraw/zinc/19/26/98/345192698.db2.gz SDOLGMRMYIFQEC-PNESKVBLSA-N 2 1 223.364 0.622 10 0 BCAEMP CCn1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000634998384 345198122 /nfs/dbraw/zinc/19/81/22/345198122.db2.gz FAPKNNVSBPLYSG-PWSUYJOCSA-N 2 1 222.336 0.930 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248492923 345403483 /nfs/dbraw/zinc/40/34/83/345403483.db2.gz OYBDNQWGXVSUFJ-GRYCIOLGSA-N 2 1 241.379 0.912 10 0 BCAEMP Cc1[nH+]ccn1[C@H](C)C[C@@](C)([NH3+])C(N)=O ZINC000082800208 537924200 /nfs/dbraw/zinc/92/42/00/537924200.db2.gz IHNXAIDRLIKQQV-GMSGAONNSA-N 2 1 210.281 0.345 10 0 BCAEMP CCC[N@@H+](C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000250004955 362718514 /nfs/dbraw/zinc/71/85/14/362718514.db2.gz IXOPDSPLHJIQOM-MNOVXSKESA-N 2 1 228.336 0.951 10 0 BCAEMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000641797553 362743461 /nfs/dbraw/zinc/74/34/61/362743461.db2.gz FJOWECFSLJWAHF-INTQDDNPSA-N 2 1 237.303 0.852 10 0 BCAEMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000641797553 362743464 /nfs/dbraw/zinc/74/34/64/362743464.db2.gz FJOWECFSLJWAHF-INTQDDNPSA-N 2 1 237.303 0.852 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000380022552 365812334 /nfs/dbraw/zinc/81/23/34/365812334.db2.gz OLHDLHMSXMZBLF-GMTAPVOTSA-N 2 1 216.325 0.066 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000380022552 365812338 /nfs/dbraw/zinc/81/23/38/365812338.db2.gz OLHDLHMSXMZBLF-GMTAPVOTSA-N 2 1 216.325 0.066 10 0 BCAEMP CN(C)[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000641800880 362753839 /nfs/dbraw/zinc/75/38/39/362753839.db2.gz HQTITYNUXGBJND-VXGBXAGGSA-N 2 1 239.363 0.143 10 0 BCAEMP CN(C)[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000641800880 362753846 /nfs/dbraw/zinc/75/38/46/362753846.db2.gz HQTITYNUXGBJND-VXGBXAGGSA-N 2 1 239.363 0.143 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000249744804 346499210 /nfs/dbraw/zinc/49/92/10/346499210.db2.gz LZVICXGZDIYOKQ-VXGBXAGGSA-N 2 1 239.363 0.729 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H]1CO ZINC000622005005 370656217 /nfs/dbraw/zinc/65/62/17/370656217.db2.gz XQSIIECZLQIWNZ-AGIUHOORSA-N 2 1 226.364 0.936 10 0 BCAEMP C[C@@H]1C[N@@H+](CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000641821674 362772352 /nfs/dbraw/zinc/77/23/52/362772352.db2.gz OIHQGSWQWJWLQJ-KOLCDFICSA-N 2 1 208.309 0.479 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326117 347207631 /nfs/dbraw/zinc/20/76/31/347207631.db2.gz KDKLZVLIDZNOOZ-VWYCJHECSA-N 2 1 228.336 0.855 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326117 347207632 /nfs/dbraw/zinc/20/76/32/347207632.db2.gz KDKLZVLIDZNOOZ-VWYCJHECSA-N 2 1 228.336 0.855 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335211 347228007 /nfs/dbraw/zinc/22/80/07/347228007.db2.gz ROJLYMPAYVUYAB-GHMZBOCLSA-N 2 1 226.320 0.623 10 0 BCAEMP CC[NH2+][C@@]1(C(N)=O)CC[N@@H+]2CCC[C@H]2C1 ZINC000250639327 362814635 /nfs/dbraw/zinc/81/46/35/362814635.db2.gz MSDRSACYXBPLIX-ONGXEEELSA-N 2 1 211.309 0.078 10 0 BCAEMP CC[NH2+][C@@]1(C(N)=O)CC[N@H+]2CCC[C@H]2C1 ZINC000250639327 362814640 /nfs/dbraw/zinc/81/46/40/362814640.db2.gz MSDRSACYXBPLIX-ONGXEEELSA-N 2 1 211.309 0.078 10 0 BCAEMP Cc1ncccc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000591908861 347715158 /nfs/dbraw/zinc/71/51/58/347715158.db2.gz IWNOTRRCRKELMX-UHFFFAOYSA-N 2 1 249.358 0.936 10 0 BCAEMP C[N@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037080994 348016988 /nfs/dbraw/zinc/01/69/88/348016988.db2.gz ZQHGXQKSNGISRF-QWRGUYRKSA-N 2 1 226.320 0.704 10 0 BCAEMP C[N@@H+](C1CC1)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037080994 348016990 /nfs/dbraw/zinc/01/69/90/348016990.db2.gz ZQHGXQKSNGISRF-QWRGUYRKSA-N 2 1 226.320 0.704 10 0 BCAEMP CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261575880 535071983 /nfs/dbraw/zinc/07/19/83/535071983.db2.gz JZFRBCFCMLCGFK-DCAQKATOSA-N 2 1 225.336 0.182 10 0 BCAEMP CCCNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261575880 535071988 /nfs/dbraw/zinc/07/19/88/535071988.db2.gz JZFRBCFCMLCGFK-DCAQKATOSA-N 2 1 225.336 0.182 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C1CC1)CC[C@@H]2O ZINC000725246345 538007314 /nfs/dbraw/zinc/00/73/14/538007314.db2.gz UWFIATHGHAOWCT-ADEWGFFLSA-N 2 1 210.321 0.441 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251062438 349181746 /nfs/dbraw/zinc/18/17/46/349181746.db2.gz VSXQAZDAFREIJB-MNOVXSKESA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251062438 349181748 /nfs/dbraw/zinc/18/17/48/349181748.db2.gz VSXQAZDAFREIJB-MNOVXSKESA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251062441 349181950 /nfs/dbraw/zinc/18/19/50/349181950.db2.gz VSXQAZDAFREIJB-QWRGUYRKSA-N 2 1 225.336 0.291 10 0 BCAEMP C[NH2+][C@@H](C)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251062441 349181951 /nfs/dbraw/zinc/18/19/51/349181951.db2.gz VSXQAZDAFREIJB-QWRGUYRKSA-N 2 1 225.336 0.291 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251762530 349190470 /nfs/dbraw/zinc/19/04/70/349190470.db2.gz LYCVJZGZMNNGCT-RKDXNWHRSA-N 2 1 200.282 0.219 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250552761 349175241 /nfs/dbraw/zinc/17/52/41/349175241.db2.gz ANOQWTQHSQDAED-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP Cc1[nH+]ccn1[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000043232541 180272444 /nfs/dbraw/zinc/27/24/44/180272444.db2.gz PXWJIVHUVMBTSM-KWQFWETISA-N 2 1 219.292 0.862 10 0 BCAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000282274132 180262256 /nfs/dbraw/zinc/26/22/56/180262256.db2.gz HVDNBWYUBRKAIH-KOLCDFICSA-N 2 1 236.319 0.448 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCNC1=O ZINC000178208098 180268735 /nfs/dbraw/zinc/26/87/35/180268735.db2.gz WLEGFJWKVGQNLC-VXGBXAGGSA-N 2 1 248.330 0.544 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCNC1=O ZINC000178208098 180268737 /nfs/dbraw/zinc/26/87/37/180268737.db2.gz WLEGFJWKVGQNLC-VXGBXAGGSA-N 2 1 248.330 0.544 10 0 BCAEMP Cc1[nH+]ccn1[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043232535 180271688 /nfs/dbraw/zinc/27/16/88/180271688.db2.gz PXWJIVHUVMBTSM-KCJUWKMLSA-N 2 1 219.292 0.862 10 0 BCAEMP Cc1[nH+]ccn1[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019429385 180271696 /nfs/dbraw/zinc/27/16/96/180271696.db2.gz CNVKRQKSMMMQSK-SECBINFHSA-N 2 1 222.292 0.184 10 0 BCAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1cnn(C)c1 ZINC000043232529 180272042 /nfs/dbraw/zinc/27/20/42/180272042.db2.gz RTVUOFZAWVFFAU-SNVBAGLBSA-N 2 1 205.265 0.473 10 0 BCAEMP Cc1[nH+]ccn1[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000019256831 180272280 /nfs/dbraw/zinc/27/22/80/180272280.db2.gz YXISUKMQVJGIAG-GHMZBOCLSA-N 2 1 237.303 0.987 10 0 BCAEMP Cc1[nH+]cn(Cc2cc(C[NH3+])no2)c1C ZINC000052593595 180287615 /nfs/dbraw/zinc/28/76/15/180287615.db2.gz DZNAIIVBBUVRAO-UHFFFAOYSA-N 2 1 206.249 0.995 10 0 BCAEMP Cn1nccc1[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C ZINC000164782663 191122872 /nfs/dbraw/zinc/12/28/72/191122872.db2.gz FLZFBJPUNPHGCU-GXSJLCMTSA-N 2 1 208.309 0.762 10 0 BCAEMP Cn1nccc1[C@H]1[C@H](C[NH3+])CCC[N@H+]1C ZINC000164782663 191122873 /nfs/dbraw/zinc/12/28/73/191122873.db2.gz FLZFBJPUNPHGCU-GXSJLCMTSA-N 2 1 208.309 0.762 10 0 BCAEMP C[N@H+](C1CC1)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252438131 350911662 /nfs/dbraw/zinc/91/16/62/350911662.db2.gz ZQHGXQKSNGISRF-MNOVXSKESA-N 2 1 226.320 0.704 10 0 BCAEMP C[N@@H+](C1CC1)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000252438131 350911665 /nfs/dbraw/zinc/91/16/65/350911665.db2.gz ZQHGXQKSNGISRF-MNOVXSKESA-N 2 1 226.320 0.704 10 0 BCAEMP CN(CC[NH2+]CC[NH3+])C(=O)OC(C)(C)C ZINC000307143506 351501792 /nfs/dbraw/zinc/50/17/92/351501792.db2.gz FMJJSFUGQQROKO-UHFFFAOYSA-N 2 1 217.313 0.402 10 0 BCAEMP C[C@H](N)[C@H](CO)[N@H+]1CCCCC[C@H]1C ZINC000252109830 363067614 /nfs/dbraw/zinc/06/76/14/363067614.db2.gz HPEUYGIYTZFQQF-VWYCJHECSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H]([NH3+])[C@H](CO)[N@@H+]1CCCCC[C@H]1C ZINC000252109830 363067617 /nfs/dbraw/zinc/06/76/17/363067617.db2.gz HPEUYGIYTZFQQF-VWYCJHECSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H]([NH3+])[C@H](CO)[N@H+]1CCCCC[C@H]1C ZINC000252109830 363067621 /nfs/dbraw/zinc/06/76/21/363067621.db2.gz HPEUYGIYTZFQQF-VWYCJHECSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1CN ZINC000252115585 363124496 /nfs/dbraw/zinc/12/44/96/363124496.db2.gz IMFDRVVYKIDLQV-NAKRPEOUSA-N 2 1 200.326 0.815 10 0 BCAEMP C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000252115585 363124507 /nfs/dbraw/zinc/12/45/07/363124507.db2.gz IMFDRVVYKIDLQV-NAKRPEOUSA-N 2 1 200.326 0.815 10 0 BCAEMP CC(C)C[N@H+](C)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000300931480 363169758 /nfs/dbraw/zinc/16/97/58/363169758.db2.gz WECIHWIHERDINM-WDEREUQCSA-N 2 1 200.326 0.687 10 0 BCAEMP CC(C)C[N@@H+](C)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000300931480 363169761 /nfs/dbraw/zinc/16/97/61/363169761.db2.gz WECIHWIHERDINM-WDEREUQCSA-N 2 1 200.326 0.687 10 0 BCAEMP [NH3+][C@@H]1CC12CCC(N1CC[NH2+]CC1)CC2 ZINC000725270275 538102797 /nfs/dbraw/zinc/10/27/97/538102797.db2.gz KZRGXBPGOSYSNK-MOENNCHZSA-N 2 1 209.337 0.552 10 0 BCAEMP C1[C@H]2C[NH2+]C[C@@H]1[C@@H]1C[C@H]3[NH2+]CCN[C@@H]3C[C@@H]21 ZINC000725272478 538104277 /nfs/dbraw/zinc/10/42/77/538104277.db2.gz GRZHZITXWVZWSL-LIBFEPKXSA-N 2 1 221.348 0.182 10 0 BCAEMP C1[C@H]2C[NH2+]C[C@@H]1[C@@H]1C[C@@H]3[NH2+]CCN[C@@H]3C[C@@H]21 ZINC000725272477 538104105 /nfs/dbraw/zinc/10/41/05/538104105.db2.gz GRZHZITXWVZWSL-JOGIVDDZSA-N 2 1 221.348 0.182 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040503519 352598100 /nfs/dbraw/zinc/59/81/00/352598100.db2.gz DJBGYKIOXATTDR-GFCCVEGCSA-N 2 1 239.363 0.587 10 0 BCAEMP CCCC[N@H+](CCO)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273787 538104946 /nfs/dbraw/zinc/10/49/46/538104946.db2.gz GKJGGNXATLMTJR-STQMWFEESA-N 2 1 244.379 0.657 10 0 BCAEMP CCCC[N@@H+](CCO)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273787 538104948 /nfs/dbraw/zinc/10/49/48/538104948.db2.gz GKJGGNXATLMTJR-STQMWFEESA-N 2 1 244.379 0.657 10 0 BCAEMP CNC(=[NH2+])N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000307272746 353064703 /nfs/dbraw/zinc/06/47/03/353064703.db2.gz OAFHYBHSRRILTM-ITGUQSILSA-N 2 1 244.342 0.861 10 0 BCAEMP C([C@@H]1CCCO1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000077385014 188136342 /nfs/dbraw/zinc/13/63/42/188136342.db2.gz KULSVZKPUVSJIK-STQMWFEESA-N 2 1 239.363 0.145 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000104144425 188150347 /nfs/dbraw/zinc/15/03/47/188150347.db2.gz XMUZOXMSMYFRMY-LLVKDONJSA-N 2 1 241.379 0.912 10 0 BCAEMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000104144425 188150350 /nfs/dbraw/zinc/15/03/50/188150350.db2.gz XMUZOXMSMYFRMY-LLVKDONJSA-N 2 1 241.379 0.912 10 0 BCAEMP C[N@@H+](CC(C)(C)O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223193087 353339516 /nfs/dbraw/zinc/33/95/16/353339516.db2.gz ORSPANBCCKKCEW-ZJUUUORDSA-N 2 1 200.326 0.959 10 0 BCAEMP COCCOCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670660 353642181 /nfs/dbraw/zinc/64/21/81/353642181.db2.gz WVFGRMDJJMBFBQ-LBPRGKRZSA-N 2 1 230.352 0.723 10 0 BCAEMP C[N@@H+](CCN1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669025 353642429 /nfs/dbraw/zinc/64/24/29/353642429.db2.gz PPXIXRXFAHUWQD-CYBMUJFWSA-N 2 1 241.379 0.393 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000233472832 353821762 /nfs/dbraw/zinc/82/17/62/353821762.db2.gz PJQJVZOKUIDYHM-IJLUTSLNSA-N 2 1 239.363 0.442 10 0 BCAEMP CC[N@@H+](CCOCCO)C[C@H]1CCC[NH2+]C1 ZINC000233462500 353821938 /nfs/dbraw/zinc/82/19/38/353821938.db2.gz BYCOUFJQMBJJKR-LBPRGKRZSA-N 2 1 230.352 0.317 10 0 BCAEMP CO[C@@H]1C[C@H](CO)[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000344726037 354345296 /nfs/dbraw/zinc/34/52/96/354345296.db2.gz STULMSJARSNFJO-YNEHKIRRSA-N 2 1 242.363 0.552 10 0 BCAEMP CO[C@@H]1C[C@H](CO)[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000344726037 354345300 /nfs/dbraw/zinc/34/53/00/354345300.db2.gz STULMSJARSNFJO-YNEHKIRRSA-N 2 1 242.363 0.552 10 0 BCAEMP C[C@@H](C[NH+](C)C)OC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000584658879 491070645 /nfs/dbraw/zinc/07/06/45/491070645.db2.gz NHMTZOYNATXMIC-QWRGUYRKSA-N 2 1 228.336 0.822 10 0 BCAEMP NC(=O)C1CC[NH+]([C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000040431145 181217368 /nfs/dbraw/zinc/21/73/68/181217368.db2.gz MHPQGWMFHPHOEA-VHSXEESVSA-N 2 1 211.309 0.064 10 0 BCAEMP NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918103 181223956 /nfs/dbraw/zinc/22/39/56/181223956.db2.gz CDVHDCCDPLUOKQ-QWRGUYRKSA-N 2 1 225.336 0.326 10 0 BCAEMP COc1nscc1[C@H]1CC[NH2+]C[C@@H]1[NH3+] ZINC000675058969 538482052 /nfs/dbraw/zinc/48/20/52/538482052.db2.gz DWKSARVQXRJJJC-SVRRBLITSA-N 2 1 213.306 0.556 10 0 BCAEMP CC(C)C[N@@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075615 538509564 /nfs/dbraw/zinc/50/95/64/538509564.db2.gz SIMZGHHTDFTVTJ-JTQLQIEISA-N 2 1 226.320 0.479 10 0 BCAEMP [NH3+][C@@H]1C=C(CCc2ccns2)C[NH2+]C1 ZINC000675077651 538513899 /nfs/dbraw/zinc/51/38/99/538513899.db2.gz GXFCZAHAPUIABB-SECBINFHSA-N 2 1 209.318 0.933 10 0 BCAEMP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000389477313 356685114 /nfs/dbraw/zinc/68/51/14/356685114.db2.gz WNGNKQXXNLQQFF-AAEUAGOBSA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000389477313 356685119 /nfs/dbraw/zinc/68/51/19/356685119.db2.gz WNGNKQXXNLQQFF-AAEUAGOBSA-N 2 1 241.379 0.125 10 0 BCAEMP CC[NH+]1CC[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000389477313 356685122 /nfs/dbraw/zinc/68/51/22/356685122.db2.gz WNGNKQXXNLQQFF-AAEUAGOBSA-N 2 1 241.379 0.125 10 0 BCAEMP Cc1[nH+]ccn1[C@@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000086626635 538558039 /nfs/dbraw/zinc/55/80/39/538558039.db2.gz XFZMBVXMNHXSET-PSASIEDQSA-N 2 1 208.265 0.099 10 0 BCAEMP Cc1[nH+]ccn1[C@H]1CC[C@]([NH3+])(C(N)=O)C1 ZINC000086626637 538557796 /nfs/dbraw/zinc/55/77/96/538557796.db2.gz XFZMBVXMNHXSET-WCBMZHEXSA-N 2 1 208.265 0.099 10 0 BCAEMP COC(=O)C[NH2+]C1CCC(C)(C[NH3+])CC1 ZINC000685945781 538886985 /nfs/dbraw/zinc/88/69/85/538886985.db2.gz AAZMLVARUVIQSG-UHFFFAOYSA-N 2 1 214.309 0.657 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1([NH3+])CC1 ZINC000086188848 357872202 /nfs/dbraw/zinc/87/22/02/357872202.db2.gz FGUXOAFHEBBJBP-SNVBAGLBSA-N 2 1 225.336 0.420 10 0 BCAEMP CN(CCC[NH+](C)C)C[C@H]1CCC[N@H+]1C ZINC000584658630 358310499 /nfs/dbraw/zinc/31/04/99/358310499.db2.gz CNELPJUIGSKZGV-GFCCVEGCSA-N 2 1 213.369 0.964 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000226078752 358333625 /nfs/dbraw/zinc/33/36/25/358333625.db2.gz KYBVWTNPPOJMBL-NWDGAFQWSA-N 2 1 239.363 0.587 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000227083746 358348865 /nfs/dbraw/zinc/34/88/65/358348865.db2.gz QLNVQEHFLSINAV-DGCLKSJQSA-N 2 1 239.363 0.729 10 0 BCAEMP C[NH2+][C@H](C)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227410664 358356115 /nfs/dbraw/zinc/35/61/15/358356115.db2.gz QFVFJEUSZMZVSU-TUAOUCFPSA-N 2 1 239.363 0.680 10 0 BCAEMP CCC[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000050393987 358726660 /nfs/dbraw/zinc/72/66/60/358726660.db2.gz VUPSNRKKCSPYBK-LBPRGKRZSA-N 2 1 239.363 0.729 10 0 BCAEMP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CC[C@](C)(O)C1 ZINC000306151212 358914793 /nfs/dbraw/zinc/91/47/93/358914793.db2.gz HFFIDVKMOVUOAE-GARJFASQSA-N 2 1 200.326 0.959 10 0 BCAEMP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CC[C@](C)(O)C1 ZINC000306151710 358918284 /nfs/dbraw/zinc/91/82/84/358918284.db2.gz HFFIDVKMOVUOAE-OUAUKWLOSA-N 2 1 200.326 0.959 10 0 BCAEMP CC[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+](C)C ZINC000247058908 359191462 /nfs/dbraw/zinc/19/14/62/359191462.db2.gz PLCFMTMREIEXLJ-RYUDHWBXSA-N 2 1 239.363 0.633 10 0 BCAEMP C[C@H]1C[C@@](N)(C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000306304607 359584694 /nfs/dbraw/zinc/58/46/94/359584694.db2.gz BSHAGUJEZDPTKC-WCQYABFASA-N 2 1 219.332 0.937 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932282 359592281 /nfs/dbraw/zinc/59/22/81/359592281.db2.gz HBXIQPSTUIZWQX-GARJFASQSA-N 2 1 225.336 0.419 10 0 BCAEMP CC1CC([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000309112691 491144860 /nfs/dbraw/zinc/14/48/60/491144860.db2.gz KFXJWAWUCDOFCD-UHFFFAOYSA-N 2 1 212.337 0.831 10 0 BCAEMP O=[S@@]1CCC[N@H+](CCC2C[NH2+]C2)CC1 ZINC000306491745 360210244 /nfs/dbraw/zinc/21/02/44/360210244.db2.gz WMQLPVVJUXOLEC-CQSZACIVSA-N 2 1 216.350 0.050 10 0 BCAEMP O=[S@@]1CCC[N@@H+](CCC2C[NH2+]C2)CC1 ZINC000306491745 360210246 /nfs/dbraw/zinc/21/02/46/360210246.db2.gz WMQLPVVJUXOLEC-CQSZACIVSA-N 2 1 216.350 0.050 10 0 BCAEMP C[C@H](CC[NH3+])[N@@H+]1CCC2(C1)OCCO2 ZINC000306615150 361164838 /nfs/dbraw/zinc/16/48/38/361164838.db2.gz PCXFFUADAMZESB-SECBINFHSA-N 2 1 200.282 0.173 10 0 BCAEMP C[C@H](CC[NH3+])[N@H+]1CCC2(C1)OCCO2 ZINC000306615150 361164842 /nfs/dbraw/zinc/16/48/42/361164842.db2.gz PCXFFUADAMZESB-SECBINFHSA-N 2 1 200.282 0.173 10 0 BCAEMP C[C@@H](CC[NH3+])[N@@H+]1CCC2(C1)OCCO2 ZINC000306615152 361164897 /nfs/dbraw/zinc/16/48/97/361164897.db2.gz PCXFFUADAMZESB-VIFPVBQESA-N 2 1 200.282 0.173 10 0 BCAEMP C[C@@H](CC[NH3+])[N@H+]1CCC2(C1)OCCO2 ZINC000306615152 361164903 /nfs/dbraw/zinc/16/49/03/361164903.db2.gz PCXFFUADAMZESB-VIFPVBQESA-N 2 1 200.282 0.173 10 0 BCAEMP CC1(C[NH2+][C@H]2CCc3[nH+]ccn3C2)COC1 ZINC000309762161 491156056 /nfs/dbraw/zinc/15/60/56/491156056.db2.gz IYCIBOGDQUDOMN-JTQLQIEISA-N 2 1 221.304 0.824 10 0 BCAEMP CCCc1[nH+]ccn1CC[C@@H]([NH3+])C(N)=O ZINC000069964629 541307620 /nfs/dbraw/zinc/30/76/20/541307620.db2.gz FTFORLORAMQENJ-MRVPVSSYSA-N 2 1 210.281 0.038 10 0 BCAEMP C[N@@H+](CC(C)(C)O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000252612105 364055085 /nfs/dbraw/zinc/05/50/85/364055085.db2.gz WCNPVENHABTHPC-NXEZZACHSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000630570956 364265583 /nfs/dbraw/zinc/26/55/83/364265583.db2.gz NFCKWNCIBJIDJF-RKDXNWHRSA-N 2 1 231.303 0.989 10 0 BCAEMP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1C[NH3+] ZINC000630570953 364266465 /nfs/dbraw/zinc/26/64/65/364266465.db2.gz NFCKWNCIBJIDJF-BDAKNGLRSA-N 2 1 231.303 0.989 10 0 BCAEMP [NH3+]CCN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000037039703 181391544 /nfs/dbraw/zinc/39/15/44/181391544.db2.gz MJJAHRCECQEZRA-GFCCVEGCSA-N 2 1 227.352 0.132 10 0 BCAEMP NCC[N@@H+]1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095077565 181392222 /nfs/dbraw/zinc/39/22/22/181392222.db2.gz TWEIWKUJJLDQKF-UHFFFAOYSA-N 2 1 211.353 0.786 10 0 BCAEMP NCC[N@H+]1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095077565 181392223 /nfs/dbraw/zinc/39/22/23/181392223.db2.gz TWEIWKUJJLDQKF-UHFFFAOYSA-N 2 1 211.353 0.786 10 0 BCAEMP [NH3+]CC[N@@H+]1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095077565 181392224 /nfs/dbraw/zinc/39/22/24/181392224.db2.gz TWEIWKUJJLDQKF-UHFFFAOYSA-N 3 1 211.353 0.786 10 0 BCAEMP [NH3+]CC[N@H+]1CCC2(C1)CCC(C[NH3+])CC2 ZINC000095077565 181392226 /nfs/dbraw/zinc/39/22/26/181392226.db2.gz TWEIWKUJJLDQKF-UHFFFAOYSA-N 3 1 211.353 0.786 10 0 BCAEMP COC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000382378312 367512168 /nfs/dbraw/zinc/51/21/68/367512168.db2.gz DYAFPJFSRVMYIQ-NOOOWODRSA-N 2 1 212.337 0.938 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587503 /nfs/dbraw/zinc/58/75/03/367587503.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587507 /nfs/dbraw/zinc/58/75/07/367587507.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587512 /nfs/dbraw/zinc/58/75/12/367587512.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587515 /nfs/dbraw/zinc/58/75/15/367587515.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587517 /nfs/dbraw/zinc/58/75/17/367587517.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587519 /nfs/dbraw/zinc/58/75/19/367587519.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000581555894 367587523 /nfs/dbraw/zinc/58/75/23/367587523.db2.gz AOIRLPBHJNTGAL-SRVKXCTJSA-N 2 1 212.337 0.783 10 0 BCAEMP C[C@H](NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492980 367981495 /nfs/dbraw/zinc/98/14/95/367981495.db2.gz URLAFSQEUDZZST-RWMBFGLXSA-N 2 1 241.379 0.437 10 0 BCAEMP C[C@H](NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCCC[NH2+]1 ZINC000386492980 367981497 /nfs/dbraw/zinc/98/14/97/367981497.db2.gz URLAFSQEUDZZST-RWMBFGLXSA-N 2 1 241.379 0.437 10 0 BCAEMP C[N@H+]1CCc2nc(OC3CC[NH2+]CC3)ncc2C1 ZINC000114975554 368964611 /nfs/dbraw/zinc/96/46/11/368964611.db2.gz IPYSSEMRSIPIOL-UHFFFAOYSA-N 2 1 248.330 0.595 10 0 BCAEMP CC(C)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000631839732 369170457 /nfs/dbraw/zinc/17/04/57/369170457.db2.gz KEYOGEJKPGWXBZ-GRYCIOLGSA-N 2 1 239.363 0.522 10 0 BCAEMP CCCNC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843859 369376580 /nfs/dbraw/zinc/37/65/80/369376580.db2.gz SKLNEPIUVDZIPH-UWVGGRQHSA-N 2 1 213.325 0.039 10 0 BCAEMP CCCNC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843859 369376585 /nfs/dbraw/zinc/37/65/85/369376585.db2.gz SKLNEPIUVDZIPH-UWVGGRQHSA-N 2 1 213.325 0.039 10 0 BCAEMP C[C@@H]1SCC[N@@H+](C[C@H](O)C[NH3+])[C@H]1C ZINC000132332402 371793715 /nfs/dbraw/zinc/79/37/15/371793715.db2.gz QPAZHGXTIRVRKB-XHNCKOQMSA-N 2 1 204.339 0.132 10 0 BCAEMP C[C@@H](C[NH3+])[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000227581039 371900043 /nfs/dbraw/zinc/90/00/43/371900043.db2.gz CPDSNCBDVQCWMQ-IDKOKCKLSA-N 2 1 243.351 0.979 10 0 BCAEMP [NH3+][C@@H]1COC[C@@H]1C[N@H+]1CCCSCC1 ZINC000227617314 371905913 /nfs/dbraw/zinc/90/59/13/371905913.db2.gz VYOPFWFLASGBSZ-VHSXEESVSA-N 2 1 216.350 0.399 10 0 BCAEMP C[C@@H]1C[N@@H+](CCOCC2CC2)C[C@H]1C[NH3+] ZINC000631839781 372634724 /nfs/dbraw/zinc/63/47/24/372634724.db2.gz KSGDMLNTHWHVQS-ZYHUDNBSSA-N 2 1 212.337 0.940 10 0 BCAEMP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842044 372640060 /nfs/dbraw/zinc/64/00/60/372640060.db2.gz ULAVNPLSXFVPDJ-SDDRHHMPSA-N 2 1 241.379 0.770 10 0 BCAEMP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844071 372643334 /nfs/dbraw/zinc/64/33/34/372643334.db2.gz UZLFMOHHDPLJNG-QWRGUYRKSA-N 2 1 241.379 0.818 10 0 BCAEMP CCC(C)(C)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844071 372643337 /nfs/dbraw/zinc/64/33/37/372643337.db2.gz UZLFMOHHDPLJNG-QWRGUYRKSA-N 2 1 241.379 0.818 10 0 BCAEMP O=C(C[C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227644979 182029383 /nfs/dbraw/zinc/02/93/83/182029383.db2.gz DDRSYEMVGYEYBQ-VXGBXAGGSA-N 2 1 237.347 0.293 10 0 BCAEMP C[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCCC1)OCCO2 ZINC000039384622 372961221 /nfs/dbraw/zinc/96/12/21/372961221.db2.gz CERNGLBORHTCEL-NWDGAFQWSA-N 2 1 240.347 0.966 10 0 BCAEMP NC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000141496635 372964023 /nfs/dbraw/zinc/96/40/23/372964023.db2.gz BGFHKPCSNYEKPN-LLVKDONJSA-N 2 1 218.304 0.744 10 0 BCAEMP OC1(C[N@H+]2CCO[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000051016349 183017918 /nfs/dbraw/zinc/01/79/18/183017918.db2.gz SKPCDHBVKIZULE-VXGBXAGGSA-N 2 1 240.347 0.354 10 0 BCAEMP OCC1([N@H+]2CCC[NH2+]CC2)CCCCC1 ZINC000038117310 183036515 /nfs/dbraw/zinc/03/65/15/183036515.db2.gz XROQEEJLWDGECS-UHFFFAOYSA-N 2 1 212.337 0.977 10 0 BCAEMP OCC[N@H+]1CCCN(CC[NH+]2CCCC2)CC1 ZINC000071349774 183072155 /nfs/dbraw/zinc/07/21/55/183072155.db2.gz LAGVHYYLWPQUJX-UHFFFAOYSA-N 2 1 241.379 0.082 10 0 BCAEMP CCC[N@@H+](C)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000037098292 169088516 /nfs/dbraw/zinc/08/85/16/169088516.db2.gz IXOPDSPLHJIQOM-QWRGUYRKSA-N 2 1 228.336 0.951 10 0 BCAEMP CCC[N@H+]([C@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037539305 169091415 /nfs/dbraw/zinc/09/14/15/169091415.db2.gz XNUYYVAJUYOSAT-LLVKDONJSA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[N@@H+]([C@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037539305 169091417 /nfs/dbraw/zinc/09/14/17/169091417.db2.gz XNUYYVAJUYOSAT-LLVKDONJSA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[N@H+](CCC[NH3+])CC(=O)N[C@H](C)COC ZINC000049290500 169155614 /nfs/dbraw/zinc/15/56/14/169155614.db2.gz VPWWHIFJWISZDR-LLVKDONJSA-N 2 1 245.367 0.198 10 0 BCAEMP CCC[N@@H+](CCC[NH3+])CC(=O)N[C@H](C)COC ZINC000049290500 169155617 /nfs/dbraw/zinc/15/56/17/169155617.db2.gz VPWWHIFJWISZDR-LLVKDONJSA-N 2 1 245.367 0.198 10 0 BCAEMP CCCNC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042517574 169219332 /nfs/dbraw/zinc/21/93/32/169219332.db2.gz GDGJSNDWYOJIKH-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CCCNC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000042517574 169219334 /nfs/dbraw/zinc/21/93/34/169219334.db2.gz GDGJSNDWYOJIKH-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000037897521 169256208 /nfs/dbraw/zinc/25/62/08/169256208.db2.gz QDLDMBGFQORTIE-UHFFFAOYSA-N 2 1 241.379 0.929 10 0 BCAEMP CCC[NH2+]CC(C)(C)C[N@@H+](C)C[C@@H](O)COC ZINC000051284417 169256269 /nfs/dbraw/zinc/25/62/69/169256269.db2.gz KZMQSVCCYHCZGF-GFCCVEGCSA-N 2 1 246.395 0.951 10 0 BCAEMP CCC[NH2+]C[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000104414695 169261955 /nfs/dbraw/zinc/26/19/55/169261955.db2.gz VKIMZEDOERZRPN-ZDUSSCGKSA-N 2 1 244.379 0.707 10 0 BCAEMP CCC[NH2+]C[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000104414695 169261957 /nfs/dbraw/zinc/26/19/57/169261957.db2.gz VKIMZEDOERZRPN-ZDUSSCGKSA-N 2 1 244.379 0.707 10 0 BCAEMP CCC[NH2+]C[C@@H](O)C[N@@H+](CCOC)CC(C)C ZINC000042368655 169262127 /nfs/dbraw/zinc/26/21/27/169262127.db2.gz JZLDUUIOIIOWOC-CYBMUJFWSA-N 2 1 246.395 0.951 10 0 BCAEMP CCC[NH2+]C[C@H](O)CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188670 169263732 /nfs/dbraw/zinc/26/37/32/169263732.db2.gz DNYXIQPZWWHFQI-OLZOCXBDSA-N 2 1 243.395 0.230 10 0 BCAEMP c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000082345265 183399452 /nfs/dbraw/zinc/39/94/52/183399452.db2.gz SNIGIWLPWNCQLP-CQSZACIVSA-N 2 1 231.343 0.824 10 0 BCAEMP c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000082345265 183399455 /nfs/dbraw/zinc/39/94/55/183399455.db2.gz SNIGIWLPWNCQLP-CQSZACIVSA-N 2 1 231.343 0.824 10 0 BCAEMP CCC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000049648945 169282948 /nfs/dbraw/zinc/28/29/48/169282948.db2.gz VAAMQCSRIRQNLT-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000119880045 169345299 /nfs/dbraw/zinc/34/52/99/169345299.db2.gz CYSDNCFJBYZACZ-RYUDHWBXSA-N 2 1 241.379 0.927 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000037816823 169500194 /nfs/dbraw/zinc/50/01/94/169500194.db2.gz JSUBDUGIGJHHJD-LBPRGKRZSA-N 2 1 239.363 0.668 10 0 BCAEMP COC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721051 383842308 /nfs/dbraw/zinc/84/23/08/383842308.db2.gz UBVSETMIRVBZBE-SNVBAGLBSA-N 2 1 214.309 0.753 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309454704 384168669 /nfs/dbraw/zinc/16/86/69/384168669.db2.gz QQNUBSUUHICSOG-DLOVCJGASA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309454704 384168673 /nfs/dbraw/zinc/16/86/73/384168673.db2.gz QQNUBSUUHICSOG-DLOVCJGASA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CO1 ZINC000401986245 384373719 /nfs/dbraw/zinc/37/37/19/384373719.db2.gz BZEMZVFYDDCBNN-CMPLNLGQSA-N 2 1 228.336 0.210 10 0 BCAEMP [NH3+]CCC[NH+]1CCN(c2cccnc2)CC1 ZINC000096032932 384421421 /nfs/dbraw/zinc/42/14/21/384421421.db2.gz KCUUHIHTRLQGPF-UHFFFAOYSA-N 2 1 220.320 0.552 10 0 BCAEMP Cn1cncc1[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1C ZINC000085168900 384507321 /nfs/dbraw/zinc/50/73/21/384507321.db2.gz BNYHESMNDBMAIR-MWLCHTKSSA-N 2 1 208.309 0.762 10 0 BCAEMP Cn1cncc1[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C ZINC000085168900 384507326 /nfs/dbraw/zinc/50/73/26/384507326.db2.gz BNYHESMNDBMAIR-MWLCHTKSSA-N 2 1 208.309 0.762 10 0 BCAEMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236712626 384556164 /nfs/dbraw/zinc/55/61/64/384556164.db2.gz SWEJAHJATFWWBT-VXGBXAGGSA-N 2 1 241.379 0.962 10 0 BCAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2CCOCO2)C1 ZINC000050248476 384612383 /nfs/dbraw/zinc/61/23/83/384612383.db2.gz GGIDJBOQDRMPEF-UWVGGRQHSA-N 2 1 200.282 0.030 10 0 BCAEMP C[N@H+]1CCC[C@@H](CCN[C@H]2CC[NH2+]C2)C1 ZINC000259210538 384959680 /nfs/dbraw/zinc/95/96/80/384959680.db2.gz XCZVWPZVKJMBHF-RYUDHWBXSA-N 2 1 211.353 0.670 10 0 BCAEMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000259210538 384959685 /nfs/dbraw/zinc/95/96/85/384959685.db2.gz XCZVWPZVKJMBHF-RYUDHWBXSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000259210538 384959694 /nfs/dbraw/zinc/95/96/94/384959694.db2.gz XCZVWPZVKJMBHF-RYUDHWBXSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@H+]1CCC[C@H](CCN[C@H]2CC[NH2+]C2)C1 ZINC000259210530 384959823 /nfs/dbraw/zinc/95/98/23/384959823.db2.gz XCZVWPZVKJMBHF-NEPJUHHUSA-N 2 1 211.353 0.670 10 0 BCAEMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000259210530 384959829 /nfs/dbraw/zinc/95/98/29/384959829.db2.gz XCZVWPZVKJMBHF-NEPJUHHUSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000259210530 384959832 /nfs/dbraw/zinc/95/98/32/384959832.db2.gz XCZVWPZVKJMBHF-NEPJUHHUSA-N 3 1 211.353 0.670 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccno3)C[C@H]12 ZINC000309011636 385060004 /nfs/dbraw/zinc/06/00/04/385060004.db2.gz XHONWMVPTLQFTR-DVVUODLYSA-N 2 1 207.277 0.844 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccno3)C[C@H]12 ZINC000309011636 385060008 /nfs/dbraw/zinc/06/00/08/385060008.db2.gz XHONWMVPTLQFTR-DVVUODLYSA-N 2 1 207.277 0.844 10 0 BCAEMP C[N@@H+](CC(C)(C)C[NH3+])CC1(O)CCOCC1 ZINC000167220622 385302704 /nfs/dbraw/zinc/30/27/04/385302704.db2.gz UARLKQTWFYRCGL-UHFFFAOYSA-N 2 1 230.352 0.445 10 0 BCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH3+] ZINC000157964278 385317155 /nfs/dbraw/zinc/31/71/55/385317155.db2.gz CQJYZBHHVPYHDE-GHMZBOCLSA-N 2 1 227.352 0.570 10 0 BCAEMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000259336856 385283593 /nfs/dbraw/zinc/28/35/93/385283593.db2.gz XZKUOACKUOHNFE-QWRGUYRKSA-N 2 1 225.336 0.054 10 0 BCAEMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000257746503 385496722 /nfs/dbraw/zinc/49/67/22/385496722.db2.gz XSNKJNDANWOBHY-MNOVXSKESA-N 2 1 225.336 0.420 10 0 BCAEMP COC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196043 385612016 /nfs/dbraw/zinc/61/20/16/385612016.db2.gz KLCXGOYCBMFACY-ZJUUUORDSA-N 2 1 214.309 0.751 10 0 BCAEMP COC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063196043 385612020 /nfs/dbraw/zinc/61/20/20/385612020.db2.gz KLCXGOYCBMFACY-ZJUUUORDSA-N 2 1 214.309 0.751 10 0 BCAEMP C[N@@H+]1CCC[C@H](N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000259130861 385654951 /nfs/dbraw/zinc/65/49/51/385654951.db2.gz UEFMNCCKSHXUJS-SRVKXCTJSA-N 2 1 211.353 0.940 10 0 BCAEMP C[N@H+]1CCC[C@H](N[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000259130861 385654952 /nfs/dbraw/zinc/65/49/52/385654952.db2.gz UEFMNCCKSHXUJS-SRVKXCTJSA-N 2 1 211.353 0.940 10 0 BCAEMP C[C@H]([NH3+])CCC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251198826 385934987 /nfs/dbraw/zinc/93/49/87/385934987.db2.gz KJWHFDUZICYSGN-QWRGUYRKSA-N 2 1 225.336 0.420 10 0 BCAEMP CC(C)[C@](C)(CO)[N@H+]1CCC[NH2+]CC1 ZINC000052883990 386278529 /nfs/dbraw/zinc/27/85/29/386278529.db2.gz KNQUPTJIOIFCGI-NSHDSACASA-N 2 1 200.326 0.689 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000084200503 386759472 /nfs/dbraw/zinc/75/94/72/386759472.db2.gz GAUZJXQHBWPESP-WDEREUQCSA-N 2 1 225.336 0.420 10 0 BCAEMP CC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000084200503 386759476 /nfs/dbraw/zinc/75/94/76/386759476.db2.gz GAUZJXQHBWPESP-WDEREUQCSA-N 2 1 225.336 0.420 10 0 BCAEMP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000440964592 387719917 /nfs/dbraw/zinc/71/99/17/387719917.db2.gz RRBVOLWVDRIZDJ-SDDRHHMPSA-N 2 1 239.363 0.727 10 0 BCAEMP COC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151344110 387825673 /nfs/dbraw/zinc/82/56/73/387825673.db2.gz AMXHQCXTHYOGTC-RYUDHWBXSA-N 2 1 230.352 0.458 10 0 BCAEMP C[C@@H]1CSC[C@@H]1[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000306185310 388023133 /nfs/dbraw/zinc/02/31/33/388023133.db2.gz HCCBREQDJKRMQM-ZNSHCXBVSA-N 2 1 212.362 0.889 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CO1 ZINC000402200727 388383547 /nfs/dbraw/zinc/38/35/47/388383547.db2.gz GUUAFCFVKMXYLZ-AGIUHOORSA-N 2 1 242.363 0.600 10 0 BCAEMP COC[C@H]1CC[N@H+]1Cc1ccnc(N)c1 ZINC000293551330 388389311 /nfs/dbraw/zinc/38/93/11/388389311.db2.gz LERXNVXCBAWEJA-SNVBAGLBSA-N 2 1 207.277 0.885 10 0 BCAEMP COC[C@H]1CCN1Cc1ccnc(N)c1 ZINC000293551330 388389312 /nfs/dbraw/zinc/38/93/12/388389312.db2.gz LERXNVXCBAWEJA-SNVBAGLBSA-N 2 1 207.277 0.885 10 0 BCAEMP Cc1cc[nH+]c(N(C)CCOCC[NH3+])c1 ZINC000300947075 388394034 /nfs/dbraw/zinc/39/40/34/388394034.db2.gz FLGJUROZSSOLOE-UHFFFAOYSA-N 2 1 209.293 0.802 10 0 BCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000250803633 388740634 /nfs/dbraw/zinc/74/06/34/388740634.db2.gz PSIFQVKECNDDPM-AAEUAGOBSA-N 2 1 237.347 0.435 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CN ZINC000226344899 388716084 /nfs/dbraw/zinc/71/60/84/388716084.db2.gz DAIZKMVHNKJLOH-UWVGGRQHSA-N 2 1 214.309 0.609 10 0 BCAEMP COC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226465844 388719504 /nfs/dbraw/zinc/71/95/04/388719504.db2.gz SJRNQJJFZLEKRK-SNVBAGLBSA-N 2 1 214.309 0.623 10 0 BCAEMP [NH3+][C@H]1CCO[C@@H]1C[NH+]1CCSCC1 ZINC000575450357 388732623 /nfs/dbraw/zinc/73/26/23/388732623.db2.gz LFWIJAATZBPZBA-DTWKUNHWSA-N 2 1 202.323 0.151 10 0 BCAEMP COCC[N@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566091053 388985048 /nfs/dbraw/zinc/98/50/48/388985048.db2.gz YOSSZVPTVPRABU-OLZOCXBDSA-N 2 1 243.395 0.542 10 0 BCAEMP COCC[N@@H+](C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566091053 388985050 /nfs/dbraw/zinc/98/50/50/388985050.db2.gz YOSSZVPTVPRABU-OLZOCXBDSA-N 2 1 243.395 0.542 10 0 BCAEMP Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(N)[nH+]1 ZINC000042098721 132224385 /nfs/dbraw/zinc/22/43/85/132224385.db2.gz HMSMPQOJRXHMAM-SNVBAGLBSA-N 2 1 233.319 0.652 10 0 BCAEMP Cc1nc(N2CC[NH+](C)CC2)nc(C)c1C[NH3+] ZINC000020274800 132330981 /nfs/dbraw/zinc/33/09/81/132330981.db2.gz FMCXOSPIEHZSQR-UHFFFAOYSA-N 2 1 235.335 0.304 10 0 BCAEMP Cc1cc(N2CCO[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000041059047 132349436 /nfs/dbraw/zinc/34/94/36/132349436.db2.gz ALUBNBVWDKVEBA-JTQLQIEISA-N 2 1 222.292 0.257 10 0 BCAEMP C[C@H]([NH3+])CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000251161142 135064767 /nfs/dbraw/zinc/06/47/67/135064767.db2.gz CDKCYBQJFGFUTI-RYUDHWBXSA-N 2 1 239.363 0.811 10 0 BCAEMP [NH3+]CCOCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000086435580 135084006 /nfs/dbraw/zinc/08/40/06/135084006.db2.gz GSNDAPGFAKSWFQ-NEPJUHHUSA-N 2 1 228.336 0.605 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000253195495 135124253 /nfs/dbraw/zinc/12/42/53/135124253.db2.gz QFPXZSZWQIAVIC-GRYCIOLGSA-N 2 1 212.337 0.689 10 0 BCAEMP CC1(C)C[N@@H+](CCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000259396019 135142666 /nfs/dbraw/zinc/14/26/66/135142666.db2.gz XHCTVGUGVNGYAN-LBPRGKRZSA-N 2 1 241.379 0.378 10 0 BCAEMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261545439 135147627 /nfs/dbraw/zinc/14/76/27/135147627.db2.gz JZOBFWKSMRUWJX-MNOVXSKESA-N 2 1 212.337 0.689 10 0 BCAEMP C[N@H+]1CCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000261531730 135160719 /nfs/dbraw/zinc/16/07/19/135160719.db2.gz HRQUJGYUTHUERE-RYUDHWBXSA-N 2 1 211.353 0.812 10 0 BCAEMP CN1CCC[C@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261531730 135160720 /nfs/dbraw/zinc/16/07/20/135160720.db2.gz HRQUJGYUTHUERE-RYUDHWBXSA-N 2 1 211.353 0.812 10 0 BCAEMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000261532382 135162196 /nfs/dbraw/zinc/16/21/96/135162196.db2.gz AGMSZDRYXBMQET-WDEREUQCSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000261532382 135162198 /nfs/dbraw/zinc/16/21/98/135162198.db2.gz AGMSZDRYXBMQET-WDEREUQCSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H]1[NH3+] ZINC000261534272 135167282 /nfs/dbraw/zinc/16/72/82/135167282.db2.gz PGEZWPUVLWOURT-DTWKUNHWSA-N 2 1 221.308 0.326 10 0 BCAEMP C[C@@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000261536441 135172381 /nfs/dbraw/zinc/17/23/81/135172381.db2.gz RSFFCOBXTMRHCH-SECBINFHSA-N 2 1 200.326 0.817 10 0 BCAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261539522 135177898 /nfs/dbraw/zinc/17/78/98/135177898.db2.gz CRGKPRFYMROVID-CMPLNLGQSA-N 3 1 211.353 0.798 10 0 BCAEMP C[C@H]1[C@H](N)CC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000261539522 135177899 /nfs/dbraw/zinc/17/78/99/135177899.db2.gz CRGKPRFYMROVID-CMPLNLGQSA-N 2 1 211.353 0.798 10 0 BCAEMP C[C@H]1[C@H](N)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000261539522 135177900 /nfs/dbraw/zinc/17/79/00/135177900.db2.gz CRGKPRFYMROVID-CMPLNLGQSA-N 2 1 211.353 0.798 10 0 BCAEMP C[C@H]1[C@H]([NH3+])CCN1CCC1CC[NH2+]CC1 ZINC000261539522 135177902 /nfs/dbraw/zinc/17/79/02/135177902.db2.gz CRGKPRFYMROVID-CMPLNLGQSA-N 2 1 211.353 0.798 10 0 BCAEMP C[NH+](C)[C@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261544480 135185437 /nfs/dbraw/zinc/18/54/37/135185437.db2.gz YQSLIPGXGYQMGC-VIFPVBQESA-N 2 1 239.323 0.054 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544924 135185761 /nfs/dbraw/zinc/18/57/61/135185761.db2.gz FGOKOAJBPLLCDK-YFKTTZPYSA-N 2 1 239.363 0.570 10 0 BCAEMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544683 135185946 /nfs/dbraw/zinc/18/59/46/135185946.db2.gz FEAZMQSRWHXDEH-DRZSPHRISA-N 2 1 234.347 0.898 10 0 BCAEMP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261559237 135199311 /nfs/dbraw/zinc/19/93/11/135199311.db2.gz SYBJAOQTQUCQDI-DMWPJOQESA-N 2 1 237.347 0.323 10 0 BCAEMP COC(=O)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000261560562 135200844 /nfs/dbraw/zinc/20/08/44/135200844.db2.gz AAZWRTBWENFGER-SECBINFHSA-N 2 1 214.309 0.609 10 0 BCAEMP COC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261560562 135200845 /nfs/dbraw/zinc/20/08/45/135200845.db2.gz AAZWRTBWENFGER-SECBINFHSA-N 2 1 214.309 0.609 10 0 BCAEMP C[C@H]1[C@H]([NH3+])CCN1c1cc[nH+]c(N(C)C)n1 ZINC000261568860 135211632 /nfs/dbraw/zinc/21/16/32/135211632.db2.gz FWNPFTHIIXBXNG-DTWKUNHWSA-N 2 1 221.308 0.469 10 0 BCAEMP C([C@@H]1CCCOC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261571630 135213959 /nfs/dbraw/zinc/21/39/59/135213959.db2.gz HQDKIZCEERFYFY-RWMBFGLXSA-N 2 1 224.348 0.954 10 0 BCAEMP CCCNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261575882 135217597 /nfs/dbraw/zinc/21/75/97/135217597.db2.gz JZFRBCFCMLCGFK-HBNTYKKESA-N 2 1 225.336 0.182 10 0 BCAEMP CCCNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261575882 135217598 /nfs/dbraw/zinc/21/75/98/135217598.db2.gz JZFRBCFCMLCGFK-HBNTYKKESA-N 2 1 225.336 0.182 10 0 BCAEMP CN(C)c1nc(N2CC[C@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC000261581268 135222479 /nfs/dbraw/zinc/22/24/79/135222479.db2.gz QMMWBPZYFFRSBC-ZDUSSCGKSA-N 2 1 247.346 0.732 10 0 BCAEMP CC1(C)C[N@H+](CCn2cncn2)CC[C@H]1[NH3+] ZINC000261593961 135234194 /nfs/dbraw/zinc/23/41/94/135234194.db2.gz XEEUYLUWKPDDEG-SNVBAGLBSA-N 2 1 223.324 0.337 10 0 BCAEMP CC1(C)C[N@@H+](CCn2cncn2)CC[C@H]1[NH3+] ZINC000261593961 135234195 /nfs/dbraw/zinc/23/41/95/135234195.db2.gz XEEUYLUWKPDDEG-SNVBAGLBSA-N 2 1 223.324 0.337 10 0 BCAEMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261596397 135235939 /nfs/dbraw/zinc/23/59/39/135235939.db2.gz YVCXSOIFGINFPE-SDDRHHMPSA-N 2 1 220.320 0.589 10 0 BCAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261757052 135250812 /nfs/dbraw/zinc/25/08/12/135250812.db2.gz NCMMTLMQPLPKOD-GRYCIOLGSA-N 2 1 239.363 0.666 10 0 BCAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261757052 135250813 /nfs/dbraw/zinc/25/08/13/135250813.db2.gz NCMMTLMQPLPKOD-GRYCIOLGSA-N 2 1 239.363 0.666 10 0 BCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261849810 135257314 /nfs/dbraw/zinc/25/73/14/135257314.db2.gz QHERNBPLKYSCDZ-RYUDHWBXSA-N 2 1 241.379 0.914 10 0 BCAEMP C[C@@]1(C[N@H+]2CCC[C@@H](n3cncn3)C2)CC[NH2+]C1 ZINC000261917383 135262761 /nfs/dbraw/zinc/26/27/61/135262761.db2.gz ZTOOVOVYQQBBAB-CHWSQXEVSA-N 2 1 249.362 0.915 10 0 BCAEMP COCCO[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261930638 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O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000263224747 135341098 /nfs/dbraw/zinc/34/10/98/135341098.db2.gz MQAYMPPGMXEZHU-CMPLNLGQSA-N 2 1 224.279 0.496 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000263225304 135341118 /nfs/dbraw/zinc/34/11/18/135341118.db2.gz MSLMBJAKIOWNRO-BXKDBHETSA-N 2 1 242.269 0.635 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2C[NH2+]C2)C1 ZINC000263238051 135341830 /nfs/dbraw/zinc/34/18/30/135341830.db2.gz BXDBXUXIGNLZRF-SNVBAGLBSA-N 2 1 225.336 0.054 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000263315478 135345736 /nfs/dbraw/zinc/34/57/36/135345736.db2.gz ZJIMBJDLRBYXNE-CABZTGNLSA-N 2 1 242.269 0.635 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263306141 135346099 /nfs/dbraw/zinc/34/60/99/135346099.db2.gz XWZQZVYPAUHCPB-DGCLKSJQSA-N 2 1 238.306 0.804 10 0 BCAEMP CC[N@H+](C)CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166119072 136075187 /nfs/dbraw/zinc/07/51/87/136075187.db2.gz VYYRMYUFFUCYNY-NWDGAFQWSA-N 2 1 229.368 0.295 10 0 BCAEMP CC[N@@H+](C)CCN[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166119072 136075188 /nfs/dbraw/zinc/07/51/88/136075188.db2.gz VYYRMYUFFUCYNY-NWDGAFQWSA-N 2 1 229.368 0.295 10 0 BCAEMP CC[N@H+](C)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000249906145 398021421 /nfs/dbraw/zinc/02/14/21/398021421.db2.gz HMJMXCPDWSXRRC-NXEZZACHSA-N 2 1 214.309 0.561 10 0 BCAEMP CC[N@@H+](C)[C@@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000249906145 398021423 /nfs/dbraw/zinc/02/14/23/398021423.db2.gz HMJMXCPDWSXRRC-NXEZZACHSA-N 2 1 214.309 0.561 10 0 BCAEMP O=C(CCC1C[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638107283 398076570 /nfs/dbraw/zinc/07/65/70/398076570.db2.gz GSRGFKJCCFETTE-LBPRGKRZSA-N 2 1 237.347 0.293 10 0 BCAEMP CC(C)[N@H+]1CC[C@](C[NH3+])(N2CCOCC2)C1 ZINC000045658332 167027023 /nfs/dbraw/zinc/02/70/23/167027023.db2.gz YVNDSSDGOFJRTJ-GFCCVEGCSA-N 2 1 227.352 0.130 10 0 BCAEMP CC(C)NC(=O)C[N@@H+](C)CCC[C@@H]1CCC[NH2+]1 ZINC000052764526 167049364 /nfs/dbraw/zinc/04/93/64/167049364.db2.gz HEFIIMDTPQSXSC-LBPRGKRZSA-N 2 1 241.379 0.975 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036781496 167060487 /nfs/dbraw/zinc/06/04/87/167060487.db2.gz BJJFANGMLXAJSD-VXGBXAGGSA-N 2 1 241.379 0.831 10 0 BCAEMP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036781496 167060490 /nfs/dbraw/zinc/06/04/90/167060490.db2.gz BJJFANGMLXAJSD-VXGBXAGGSA-N 2 1 241.379 0.831 10 0 BCAEMP C([C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000086932588 487588442 /nfs/dbraw/zinc/58/84/42/487588442.db2.gz LZUOTGORXFQLBB-NEPJUHHUSA-N 2 1 209.337 0.376 10 0 BCAEMP O[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309755206 487590649 /nfs/dbraw/zinc/59/06/49/487590649.db2.gz LIIBAGUNIMOXGI-FVCCEPFGSA-N 2 1 224.348 0.689 10 0 BCAEMP CC[NH+]1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000128876111 410364918 /nfs/dbraw/zinc/36/49/18/410364918.db2.gz SJRDCXDLQPAWBT-NSHDSACASA-N 2 1 227.352 0.524 10 0 BCAEMP CC(C)C[NH2+]C1(C(N)=O)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037946046 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Cn1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000082666842 411151637 /nfs/dbraw/zinc/15/16/37/411151637.db2.gz IEBSYWKUGUYTKF-GFCCVEGCSA-N 2 1 222.336 0.994 10 0 BCAEMP Cn1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000082666843 411152330 /nfs/dbraw/zinc/15/23/30/411152330.db2.gz IEBSYWKUGUYTKF-LBPRGKRZSA-N 2 1 222.336 0.994 10 0 BCAEMP Cn1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cn1 ZINC000082666843 411152333 /nfs/dbraw/zinc/15/23/33/411152333.db2.gz IEBSYWKUGUYTKF-LBPRGKRZSA-N 2 1 222.336 0.994 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000128947306 411194684 /nfs/dbraw/zinc/19/46/84/411194684.db2.gz ZJYJWSWPQHMMME-MNOVXSKESA-N 2 1 227.352 0.428 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC000129039006 411212306 /nfs/dbraw/zinc/21/23/06/411212306.db2.gz FKGZFADSQNBODH-LLVKDONJSA-N 2 1 229.368 0.816 10 0 BCAEMP Cc1[nH+]ccn1CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000310398435 411234668 /nfs/dbraw/zinc/23/46/68/411234668.db2.gz IJOPZRFTWXFBDJ-LLVKDONJSA-N 2 1 238.335 0.681 10 0 BCAEMP Nc1cc([C@@H]2COCCN(CC[NH3+])C2)cc[nH+]1 ZINC000616597987 411287148 /nfs/dbraw/zinc/28/71/48/411287148.db2.gz MQZKNJRGUNNSOM-NSHDSACASA-N 2 1 236.319 0.038 10 0 BCAEMP Nc1cc([C@@H]2CCCN(CC[NH3+])C2)cc[nH+]1 ZINC000616621773 411287238 /nfs/dbraw/zinc/28/72/38/411287238.db2.gz YJVZPUOZIGWUKO-LLVKDONJSA-N 2 1 220.320 0.802 10 0 BCAEMP CC1CCN([C@@]2(C[NH3+])CC[N@@H+](C)C2)CC1 ZINC000061989989 168187104 /nfs/dbraw/zinc/18/71/04/168187104.db2.gz LJWKIBQQCMUVMA-GFCCVEGCSA-N 2 1 211.353 0.751 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000070619049 411441228 /nfs/dbraw/zinc/44/12/28/411441228.db2.gz QSMPNUYFXPRVEX-CMPLNLGQSA-N 2 1 225.336 0.339 10 0 BCAEMP CC[NH+]1CCN(C(=O)C[C@@H](C)C[NH3+])CC1 ZINC000076608146 169982922 /nfs/dbraw/zinc/98/29/22/169982922.db2.gz SGYWIDCLTHIVHB-SNVBAGLBSA-N 2 1 213.325 0.135 10 0 BCAEMP CCNC(=O)C[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000049726158 170054948 /nfs/dbraw/zinc/05/49/48/170054948.db2.gz LCZKVAXFMZMPFS-IJLUTSLNSA-N 2 1 241.379 0.818 10 0 BCAEMP CCNC(=O)C[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000049726158 170054949 /nfs/dbraw/zinc/05/49/49/170054949.db2.gz LCZKVAXFMZMPFS-IJLUTSLNSA-N 2 1 241.379 0.818 10 0 BCAEMP CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000036780314 170064502 /nfs/dbraw/zinc/06/45/02/170064502.db2.gz WRHHPGNSXYPULV-NWDGAFQWSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000036780314 170064504 /nfs/dbraw/zinc/06/45/04/170064504.db2.gz WRHHPGNSXYPULV-NWDGAFQWSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036780393 170065111 /nfs/dbraw/zinc/06/51/11/170065111.db2.gz DKHKXOYPQKDAOR-FGWVZKOKSA-N 2 1 225.336 0.337 10 0 BCAEMP CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036780393 170065113 /nfs/dbraw/zinc/06/51/13/170065113.db2.gz DKHKXOYPQKDAOR-FGWVZKOKSA-N 2 1 225.336 0.337 10 0 BCAEMP CCNC(=O)[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904907 170095345 /nfs/dbraw/zinc/09/53/45/170095345.db2.gz AOKWZMJKEHFTRH-WDEREUQCSA-N 2 1 239.363 0.585 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904907 170095348 /nfs/dbraw/zinc/09/53/48/170095348.db2.gz AOKWZMJKEHFTRH-WDEREUQCSA-N 2 1 239.363 0.585 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000061299016 170107911 /nfs/dbraw/zinc/10/79/11/170107911.db2.gz PMODGAUSMUCFOJ-VIFPVBQESA-N 2 1 213.325 0.195 10 0 BCAEMP CC[NH2+]C[C@@]1(C[N@@H+]2CCCOCC2)CCOC1 ZINC000061934524 170120684 /nfs/dbraw/zinc/12/06/84/170120684.db2.gz FOPGTECCZYWDMT-CYBMUJFWSA-N 2 1 242.363 0.725 10 0 BCAEMP CC[NH2+]C[C@@]1(C[N@H+]2CCCOCC2)CCOC1 ZINC000061934524 170120686 /nfs/dbraw/zinc/12/06/86/170120686.db2.gz FOPGTECCZYWDMT-CYBMUJFWSA-N 2 1 242.363 0.725 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](CC)C1 ZINC000104138654 170121697 /nfs/dbraw/zinc/12/16/97/170121697.db2.gz UVJRUSVVODFXMX-NWDGAFQWSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+]C[C@]1(C[N@H+]2CCC[C@@H]2CO)CCOC1 ZINC000051254976 170123866 /nfs/dbraw/zinc/12/38/66/170123866.db2.gz IJNJZOUWHWIQQJ-OLZOCXBDSA-N 2 1 242.363 0.459 10 0 BCAEMP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000037485138 170151649 /nfs/dbraw/zinc/15/16/49/170151649.db2.gz RUMNIJOIZVGFIC-VXGBXAGGSA-N 2 1 211.353 0.622 10 0 BCAEMP CC[NH2+][C@H]1CCN(C[C@H]2CC[N@@H+](CC)C2)C1=O ZINC000049648806 170168170 /nfs/dbraw/zinc/16/81/70/170168170.db2.gz YSFXLYPCHYUQNG-RYUDHWBXSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[NH2+][C@H]1CCOC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810896 170169023 /nfs/dbraw/zinc/16/90/23/170169023.db2.gz WXQRKOACXDAWHF-RYUDHWBXSA-N 2 1 227.352 0.001 10 0 BCAEMP CCOCC[N@@H+](CC)CCC[C@](C)([NH3+])C(N)=O ZINC000104200593 170395349 /nfs/dbraw/zinc/39/53/49/170395349.db2.gz QHYBCENLBDWTIR-LBPRGKRZSA-N 2 1 245.367 0.328 10 0 BCAEMP CCOCC[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049662736 170397903 /nfs/dbraw/zinc/39/79/03/170397903.db2.gz IOIOFTZMFALQMV-NSHDSACASA-N 2 1 200.326 0.954 10 0 BCAEMP Cc1cc(NCCOCCC[NH3+])nc(C)[nH+]1 ZINC000630534502 411650309 /nfs/dbraw/zinc/65/03/09/411650309.db2.gz LVBWEEIPPJASQB-UHFFFAOYSA-N 2 1 224.308 0.871 10 0 BCAEMP CC[NH2+][C@H](C)CNc1cc[nH+]c(N(C)C)n1 ZINC000387405197 411650704 /nfs/dbraw/zinc/65/07/04/411650704.db2.gz BMCBWKRJUPSONI-SECBINFHSA-N 2 1 223.324 0.953 10 0 BCAEMP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000261551630 171085780 /nfs/dbraw/zinc/08/57/80/171085780.db2.gz QPYSHSSYWAPYDG-UTUOFQBUSA-N 2 1 212.337 0.689 10 0 BCAEMP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@]1(C[NH3+])CCOC1 ZINC000051257678 171110882 /nfs/dbraw/zinc/11/08/82/171110882.db2.gz YTXDJHLWBYKBQX-YNEHKIRRSA-N 2 1 242.363 0.851 10 0 BCAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@]1(C[NH3+])CCOC1 ZINC000051257678 171110885 /nfs/dbraw/zinc/11/08/85/171110885.db2.gz YTXDJHLWBYKBQX-YNEHKIRRSA-N 2 1 242.363 0.851 10 0 BCAEMP CC[C@@]1(C[NH+](CCOC)CCOC)CC[NH2+]C1 ZINC000062911596 171210198 /nfs/dbraw/zinc/21/01/98/171210198.db2.gz OJYYQODPKGJWCN-CYBMUJFWSA-N 2 1 244.379 0.971 10 0 BCAEMP CC[C@H](C)[N@@H+](C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354538 171304810 /nfs/dbraw/zinc/30/48/10/171304810.db2.gz WLWHIKSPRAUKAW-NSHDSACASA-N 2 1 227.352 0.539 10 0 BCAEMP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000662448959 412177564 /nfs/dbraw/zinc/17/75/64/412177564.db2.gz RGRGZIBYTSIXKB-MNOVXSKESA-N 2 1 225.336 0.291 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662621816 412244689 /nfs/dbraw/zinc/24/46/89/412244689.db2.gz LTTBJYAODDUCIR-WDEREUQCSA-N 2 1 239.363 0.585 10 0 BCAEMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000665299846 412248471 /nfs/dbraw/zinc/24/84/71/412248471.db2.gz UICXXRFQTXHVLX-VHSXEESVSA-N 2 1 234.365 0.151 10 0 BCAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052593058 172026556 /nfs/dbraw/zinc/02/65/56/172026556.db2.gz YVTSUYJZVMHVFC-ZJUUUORDSA-N 2 1 209.293 0.952 10 0 BCAEMP CCc1[nH+]ccn1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062537337 172026607 /nfs/dbraw/zinc/02/66/07/172026607.db2.gz ONFFHWMPTJAVEW-JTQLQIEISA-N 2 1 236.319 0.442 10 0 BCAEMP CN(C)C(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000037270200 172363993 /nfs/dbraw/zinc/36/39/93/172363993.db2.gz YSNHNZKKJOZWCB-ZJUUUORDSA-N 2 1 213.325 0.134 10 0 BCAEMP CN(C)C(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000037270200 172363996 /nfs/dbraw/zinc/36/39/96/172363996.db2.gz YSNHNZKKJOZWCB-ZJUUUORDSA-N 2 1 213.325 0.134 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CN1CCC[NH2+]CC1 ZINC000044564187 173006009 /nfs/dbraw/zinc/00/60/09/173006009.db2.gz FQNUWJLKOICPIL-GFCCVEGCSA-N 2 1 211.353 0.766 10 0 BCAEMP CN1CCC[NH+](C)CCC[N@H+](C)CCC1 ZINC000000389302 173014392 /nfs/dbraw/zinc/01/43/92/173014392.db2.gz LRPVVAOGGZFVFO-UHFFFAOYSA-N 2 1 213.369 0.966 10 0 BCAEMP C[N@H+]1CCCN(Cc2occc2C[NH3+])CC1 ZINC000052424213 173016298 /nfs/dbraw/zinc/01/62/98/173016298.db2.gz FTDVQNDFXBQWDI-UHFFFAOYSA-N 2 1 223.320 0.876 10 0 BCAEMP CN1CCC[N@H+](Cc2occc2C[NH3+])CC1 ZINC000052424213 173016300 /nfs/dbraw/zinc/01/63/00/173016300.db2.gz FTDVQNDFXBQWDI-UHFFFAOYSA-N 2 1 223.320 0.876 10 0 BCAEMP CN1CCC[N@@H+](Cc2occc2C[NH3+])CC1 ZINC000052424213 173016304 /nfs/dbraw/zinc/01/63/04/173016304.db2.gz FTDVQNDFXBQWDI-UHFFFAOYSA-N 2 1 223.320 0.876 10 0 BCAEMP C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291128 173020506 /nfs/dbraw/zinc/02/05/06/173020506.db2.gz MMGHLOMIDDJUKY-NWDGAFQWSA-N 2 1 239.363 0.587 10 0 BCAEMP C[N@H+]1CCC[C@@H](N2CCC[NH2+]CCC2)C1 ZINC000049667053 173021066 /nfs/dbraw/zinc/02/10/66/173021066.db2.gz RLDCCQNDZHJCAA-GFCCVEGCSA-N 2 1 211.353 0.766 10 0 BCAEMP C[N@H+]1CCC[C@H](CN2CCC([NH3+])CC2)C1 ZINC000044537328 173040378 /nfs/dbraw/zinc/04/03/78/173040378.db2.gz GWJFKNRKQMIWHU-NSHDSACASA-N 2 1 211.353 0.751 10 0 BCAEMP CN(C(=O)C[NH2+]C1CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245781 173043893 /nfs/dbraw/zinc/04/38/93/173043893.db2.gz KSIRQLGJXILWFN-NSHDSACASA-N 2 1 225.336 0.291 10 0 BCAEMP CN(C(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053244709 173045367 /nfs/dbraw/zinc/04/53/67/173045367.db2.gz RJALPXFZQCXUTG-NSHDSACASA-N 2 1 240.351 0.038 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055122115 173067949 /nfs/dbraw/zinc/06/79/49/173067949.db2.gz RBNRVHGFKGSNFS-NEPJUHHUSA-N 2 1 239.363 0.668 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000020597461 173068180 /nfs/dbraw/zinc/06/81/80/173068180.db2.gz IFRZKKVVPJHYGX-NSHDSACASA-N 2 1 225.336 0.293 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055085919 173072157 /nfs/dbraw/zinc/07/21/57/173072157.db2.gz LTIWWGADTVOTEV-QWRGUYRKSA-N 2 1 225.336 0.278 10 0 BCAEMP C[N@H+]1CCN(CC(N)=[NH2+])[C@H](c2ccccc2)C1 ZINC000034689299 173077454 /nfs/dbraw/zinc/07/74/54/173077454.db2.gz NQVOINKZWPIUHR-LBPRGKRZSA-N 2 1 232.331 0.911 10 0 BCAEMP C[NH+]1CCN(CCCOC2CC[NH2+]CC2)CC1 ZINC000104384110 173079457 /nfs/dbraw/zinc/07/94/57/173079457.db2.gz NXWLBBLYTWJKJI-UHFFFAOYSA-N 2 1 241.379 0.393 10 0 BCAEMP CN1CC[NH+](CCOc2ccccc2C[NH3+])CC1 ZINC000031977823 173081647 /nfs/dbraw/zinc/08/16/47/173081647.db2.gz XGTSVYUYUBTCAD-UHFFFAOYSA-N 2 1 249.358 0.772 10 0 BCAEMP C[NH+]1CCN(C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000058081589 173084667 /nfs/dbraw/zinc/08/46/67/173084667.db2.gz OECPXPZWNJEOIV-NWDGAFQWSA-N 2 1 211.353 0.751 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000136201446 173115283 /nfs/dbraw/zinc/11/52/83/173115283.db2.gz LRKXVBWEGBOLRX-AAEUAGOBSA-N 2 1 239.363 0.587 10 0 BCAEMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037484826 173118387 /nfs/dbraw/zinc/11/83/87/173118387.db2.gz VRRBMMFTSGLWRJ-JTQLQIEISA-N 2 1 208.309 0.461 10 0 BCAEMP Cn1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037484826 173118388 /nfs/dbraw/zinc/11/83/88/173118388.db2.gz VRRBMMFTSGLWRJ-JTQLQIEISA-N 2 1 208.309 0.461 10 0 BCAEMP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC1(O)CCOCC1 ZINC000336725227 173144287 /nfs/dbraw/zinc/14/42/87/173144287.db2.gz RFQZYXYTWLHIPE-LBPRGKRZSA-N 2 1 242.363 0.411 10 0 BCAEMP C[NH+](C[C@H]1CC[N@H+](C)C1)CC1(O)CCOCC1 ZINC000336725227 173144288 /nfs/dbraw/zinc/14/42/88/173144288.db2.gz RFQZYXYTWLHIPE-LBPRGKRZSA-N 2 1 242.363 0.411 10 0 BCAEMP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC1(O)CCOCC1 ZINC000336725227 173144290 /nfs/dbraw/zinc/14/42/90/173144290.db2.gz RFQZYXYTWLHIPE-LBPRGKRZSA-N 2 1 242.363 0.411 10 0 BCAEMP C[N@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042549113 173150080 /nfs/dbraw/zinc/15/00/80/173150080.db2.gz UKKLVLQGVXPIKL-NSHDSACASA-N 2 1 225.336 0.196 10 0 BCAEMP CN(Cc1ccco1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990239 173162107 /nfs/dbraw/zinc/16/21/07/173162107.db2.gz SMYZHTMDPJLQMJ-GFCCVEGCSA-N 2 1 223.320 0.744 10 0 BCAEMP CN(Cc1ccco1)[C@@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990239 173162110 /nfs/dbraw/zinc/16/21/10/173162110.db2.gz SMYZHTMDPJLQMJ-GFCCVEGCSA-N 2 1 223.320 0.744 10 0 BCAEMP CNC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000051761586 173252146 /nfs/dbraw/zinc/25/21/46/173252146.db2.gz AGVMACSFMJXOQN-NEPJUHHUSA-N 2 1 239.363 0.587 10 0 BCAEMP CNC(=O)C[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601947 173275367 /nfs/dbraw/zinc/27/53/67/173275367.db2.gz IRGHQRDRMQIGNI-PBINXNQUSA-N 2 1 211.309 0.077 10 0 BCAEMP CNC(=O)C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601947 173275368 /nfs/dbraw/zinc/27/53/68/173275368.db2.gz IRGHQRDRMQIGNI-PBINXNQUSA-N 2 1 211.309 0.077 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000042391574 173298542 /nfs/dbraw/zinc/29/85/42/173298542.db2.gz SKVYTULOQNGLCP-ZDUSSCGKSA-N 2 1 247.342 0.856 10 0 BCAEMP CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000042391580 173298713 /nfs/dbraw/zinc/29/87/13/173298713.db2.gz MPLAUMCVGGLWMN-ZDUSSCGKSA-N 2 1 247.342 0.856 10 0 BCAEMP CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918154 173301837 /nfs/dbraw/zinc/30/18/37/173301837.db2.gz IXYZUWCOWBPMSQ-SRVKXCTJSA-N 2 1 239.363 0.585 10 0 BCAEMP CNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918154 173301838 /nfs/dbraw/zinc/30/18/38/173301838.db2.gz IXYZUWCOWBPMSQ-SRVKXCTJSA-N 2 1 239.363 0.585 10 0 BCAEMP CNC(=O)[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000020310244 173302395 /nfs/dbraw/zinc/30/23/95/173302395.db2.gz MRJYPARXZXQOMG-RYUDHWBXSA-N 2 1 241.379 0.975 10 0 BCAEMP CNC(=O)[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000020310244 173302396 /nfs/dbraw/zinc/30/23/96/173302396.db2.gz MRJYPARXZXQOMG-RYUDHWBXSA-N 2 1 241.379 0.975 10 0 BCAEMP CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000042391583 173307372 /nfs/dbraw/zinc/30/73/72/173307372.db2.gz MPLAUMCVGGLWMN-CYBMUJFWSA-N 2 1 247.342 0.856 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000061319330 173317833 /nfs/dbraw/zinc/31/78/33/173317833.db2.gz XPUUFFVTYPJXIT-JTQLQIEISA-N 2 1 227.352 0.537 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000061316568 173318666 /nfs/dbraw/zinc/31/86/66/173318666.db2.gz JTTXKWBOXSUEDU-VIFPVBQESA-N 2 1 213.325 0.052 10 0 BCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)C(N)=O ZINC000054629191 173323663 /nfs/dbraw/zinc/32/36/63/173323663.db2.gz QHOHDTCDMSRNKK-PBINXNQUSA-N 2 1 225.336 0.465 10 0 BCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)C(N)=O ZINC000054629191 173323665 /nfs/dbraw/zinc/32/36/65/173323665.db2.gz QHOHDTCDMSRNKK-PBINXNQUSA-N 2 1 225.336 0.465 10 0 BCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCNC(C)=O ZINC000054602042 173324222 /nfs/dbraw/zinc/32/42/22/173324222.db2.gz HUAAJBPZFDLLOP-YHWZYXNKSA-N 2 1 239.363 0.727 10 0 BCAEMP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCNC(C)=O ZINC000054602042 173324223 /nfs/dbraw/zinc/32/42/23/173324223.db2.gz HUAAJBPZFDLLOP-YHWZYXNKSA-N 2 1 239.363 0.727 10 0 BCAEMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000249638813 173331376 /nfs/dbraw/zinc/33/13/76/173331376.db2.gz XIQPPPOHBZQSTE-OCCSQVGLSA-N 2 1 247.342 0.767 10 0 BCAEMP C[NH2+]CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249550902 173331400 /nfs/dbraw/zinc/33/14/00/173331400.db2.gz KZOOLPADYYILEZ-NXEZZACHSA-N 2 1 213.325 0.051 10 0 BCAEMP C[NH2+]CC1(C[N@@H+](CCO)C2CC2)CCOCC1 ZINC000052198065 173337555 /nfs/dbraw/zinc/33/75/55/173337555.db2.gz DAGOVKYUMMDMFT-UHFFFAOYSA-N 2 1 242.363 0.459 10 0 BCAEMP C[NH2+]C[C@@H](C)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973986 173363889 /nfs/dbraw/zinc/36/38/89/173363889.db2.gz YRMDMEXKUKWICY-OLZOCXBDSA-N 2 1 241.379 0.248 10 0 BCAEMP C[NH2+]C[C@@H]1CCCCN1c1[nH+]ccn1C ZINC000053706775 173367226 /nfs/dbraw/zinc/36/72/26/173367226.db2.gz YVFODQZKHIWGKK-JTQLQIEISA-N 2 1 208.309 0.998 10 0 BCAEMP C[NH2+]C[C@@H]1CCCN(c2[nH+]ccn2C)C1 ZINC000050606840 173367615 /nfs/dbraw/zinc/36/76/15/173367615.db2.gz WSYAOVMOAQCVBU-JTQLQIEISA-N 2 1 208.309 0.856 10 0 BCAEMP C[NH2+]C[C@H](C(C)C)N1CCC[N@@H+](C)CC1 ZINC000052424035 173373463 /nfs/dbraw/zinc/37/34/63/173373463.db2.gz YDQPJTFNWYHKCF-GFCCVEGCSA-N 2 1 213.369 0.868 10 0 BCAEMP C[NH2+]C[C@H](O)C[N@H+]1CCCSCC1 ZINC000042443832 173376899 /nfs/dbraw/zinc/37/68/99/173376899.db2.gz CERLSTQHLUUIRE-VIFPVBQESA-N 2 1 204.339 0.006 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000053031031 173380949 /nfs/dbraw/zinc/38/09/49/173380949.db2.gz BUSIORGFWUTGIP-LLVKDONJSA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000053031031 173380950 /nfs/dbraw/zinc/38/09/50/173380950.db2.gz BUSIORGFWUTGIP-LLVKDONJSA-N 3 1 211.353 0.622 10 0 BCAEMP C[NH2+]C[C@]1(C[N@H+]2CCCOCC2)CCOC1 ZINC000061934521 173384201 /nfs/dbraw/zinc/38/42/01/173384201.db2.gz XIRURFLZZJJNFR-LBPRGKRZSA-N 2 1 228.336 0.335 10 0 BCAEMP C[NH2+]Cc1ccnc(N2CCC[N@@H+](C)CC2)c1 ZINC000051437324 173391062 /nfs/dbraw/zinc/39/10/62/173391062.db2.gz GTKVWOSKGNRFJE-UHFFFAOYSA-N 2 1 234.347 0.943 10 0 BCAEMP COCCCN1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000037753583 174228808 /nfs/dbraw/zinc/22/88/08/174228808.db2.gz MSZIDMSPFBMISB-UHFFFAOYSA-N 2 1 243.395 0.770 10 0 BCAEMP COCCC[N@@H+]1CCCN(CCCC[NH3+])CC1 ZINC000037753583 174228810 /nfs/dbraw/zinc/22/88/10/174228810.db2.gz MSZIDMSPFBMISB-UHFFFAOYSA-N 2 1 243.395 0.770 10 0 BCAEMP COCCC[N@H+]1CCCN(CCCC[NH3+])CC1 ZINC000037753583 174228812 /nfs/dbraw/zinc/22/88/12/174228812.db2.gz MSZIDMSPFBMISB-UHFFFAOYSA-N 2 1 243.395 0.770 10 0 BCAEMP COCC[N@H+]([C@@H](C)C1CC1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616217 174301884 /nfs/dbraw/zinc/30/18/84/174301884.db2.gz JOBNJXGSHCYWIS-WCFLWFBJSA-N 2 1 242.363 0.850 10 0 BCAEMP COCC[N@@H+]([C@@H](C)C1CC1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616217 174301886 /nfs/dbraw/zinc/30/18/86/174301886.db2.gz JOBNJXGSHCYWIS-WCFLWFBJSA-N 2 1 242.363 0.850 10 0 BCAEMP COCC[N@@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049665422 174317063 /nfs/dbraw/zinc/31/70/63/174317063.db2.gz ZKXFJKCYUKCGFA-PHIMTYICSA-N 2 1 200.326 0.810 10 0 BCAEMP COCC[NH2+]CC1CC[NH+](CC(=O)OC)CC1 ZINC000104421504 174332296 /nfs/dbraw/zinc/33/22/96/174332296.db2.gz IRWYPTPNVNNFKZ-UHFFFAOYSA-N 2 1 244.335 0.107 10 0 BCAEMP COCCOCC[N@@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053033867 174355256 /nfs/dbraw/zinc/35/52/56/174355256.db2.gz HWTIRGHKNFZWLV-GFCCVEGCSA-N 2 1 242.363 0.723 10 0 BCAEMP COCCOCC[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053033867 174355258 /nfs/dbraw/zinc/35/52/58/174355258.db2.gz HWTIRGHKNFZWLV-GFCCVEGCSA-N 2 1 242.363 0.723 10 0 BCAEMP COc1ccccc1OCC[NH2+]CC[NH3+] ZINC000074339356 175341994 /nfs/dbraw/zinc/34/19/94/175341994.db2.gz KGDWDLMCDYBUDI-UHFFFAOYSA-N 2 1 210.277 0.622 10 0 BCAEMP C[C@@H](c1cnn(C)c1)[NH+]1CCC([NH3+])CC1 ZINC000044500869 176036527 /nfs/dbraw/zinc/03/65/27/176036527.db2.gz AQIGIXAPTQIFSY-VIFPVBQESA-N 2 1 208.309 0.904 10 0 BCAEMP C[C@@H]1CCCC[N@H+]1CCCN1C[C@H]([NH3+])CC1=O ZINC000035679714 176070177 /nfs/dbraw/zinc/07/01/77/176070177.db2.gz SYUKZWSDOJFIOL-VXGBXAGGSA-N 2 1 239.363 0.811 10 0 BCAEMP C[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000104143260 176194275 /nfs/dbraw/zinc/19/42/75/176194275.db2.gz YWZPLPXYKMXHMN-IJLUTSLNSA-N 2 1 239.363 0.537 10 0 BCAEMP C[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000104143260 176194276 /nfs/dbraw/zinc/19/42/76/176194276.db2.gz YWZPLPXYKMXHMN-IJLUTSLNSA-N 2 1 239.363 0.537 10 0 BCAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000053861547 176209380 /nfs/dbraw/zinc/20/93/80/176209380.db2.gz AOMWFFHTLLUCQU-FRRDWIJNSA-N 2 1 225.380 0.997 10 0 BCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C1CC[NH2+]CC1 ZINC000043501186 176221811 /nfs/dbraw/zinc/22/18/11/176221811.db2.gz VCBMVCQADTWEJS-ZJUUUORDSA-N 2 1 225.336 0.324 10 0 BCAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@H](n2cncn2)C1 ZINC000333283053 176234142 /nfs/dbraw/zinc/23/41/42/176234142.db2.gz MUKFVVWFDNIIFJ-FVCCEPFGSA-N 2 1 249.362 0.959 10 0 BCAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)[C@@H](n2cncn2)C1 ZINC000333283057 176234172 /nfs/dbraw/zinc/23/41/72/176234172.db2.gz MUKFVVWFDNIIFJ-NDBYEHHHSA-N 2 1 249.362 0.959 10 0 BCAEMP C[C@@H]1C[NH+](CCOC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000090225734 176292601 /nfs/dbraw/zinc/29/26/01/176292601.db2.gz OEJUTPHECMERII-VXGBXAGGSA-N 2 1 242.363 0.864 10 0 BCAEMP C[C@@H]1C[NH2+]CCC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000049666991 176324515 /nfs/dbraw/zinc/32/45/15/176324515.db2.gz WKGFLHOOKUFXFJ-VXGBXAGGSA-N 2 1 228.336 0.333 10 0 BCAEMP C[C@H]1CCCC[N@H+]1CCCN1C[C@H]([NH3+])CC1=O ZINC000035679715 177074630 /nfs/dbraw/zinc/07/46/30/177074630.db2.gz SYUKZWSDOJFIOL-NWDGAFQWSA-N 2 1 239.363 0.811 10 0 BCAEMP C[C@H]1CCCC[N@H+]1C[C@@H](O)CN1CC[NH2+]CC1 ZINC000108015159 177076108 /nfs/dbraw/zinc/07/61/08/177076108.db2.gz QSYBGLQURWYDQK-STQMWFEESA-N 2 1 241.379 0.127 10 0 BCAEMP C[C@H]1CCCC[C@]1(C(N)=O)[N@@H+]1CCC[NH2+]CC1 ZINC000037943783 177090196 /nfs/dbraw/zinc/09/01/96/177090196.db2.gz BUCKMPOGYKADTN-AAEUAGOBSA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@H]1CCCC[C@]1(C(N)=O)[N@H+]1CCC[NH2+]CC1 ZINC000037943783 177090197 /nfs/dbraw/zinc/09/01/97/177090197.db2.gz BUCKMPOGYKADTN-AAEUAGOBSA-N 2 1 239.363 0.716 10 0 BCAEMP C[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000042354449 177096609 /nfs/dbraw/zinc/09/66/09/177096609.db2.gz ISFGQYBJRVGSCI-LBPRGKRZSA-N 2 1 239.363 0.540 10 0 BCAEMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH2+]CC2)C1 ZINC000042354682 177157041 /nfs/dbraw/zinc/15/70/41/177157041.db2.gz VZOWOABIJFKVHV-NSHDSACASA-N 2 1 225.336 0.150 10 0 BCAEMP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1C ZINC000104126153 177225637 /nfs/dbraw/zinc/22/56/37/177225637.db2.gz AASQUTYLUTYHIG-WCQYABFASA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)CC[N@H+]1C ZINC000104126153 177225638 /nfs/dbraw/zinc/22/56/38/177225638.db2.gz AASQUTYLUTYHIG-WCQYABFASA-N 2 1 239.363 0.539 10 0 BCAEMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227433269 177233073 /nfs/dbraw/zinc/23/30/73/177233073.db2.gz DLJSDBPXRHDTFW-QJPTWQEYSA-N 2 1 239.363 0.524 10 0 BCAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227433269 177233075 /nfs/dbraw/zinc/23/30/75/177233075.db2.gz DLJSDBPXRHDTFW-QJPTWQEYSA-N 2 1 239.363 0.524 10 0 BCAEMP C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000044518800 177246546 /nfs/dbraw/zinc/24/65/46/177246546.db2.gz KBBSEZYSBJHFHU-AAEUAGOBSA-N 3 1 225.380 0.997 10 0 BCAEMP C[C@H]1CN(CC[NH2+]CCC[NH+](C)C)CC[N@H+]1C ZINC000104132474 177252390 /nfs/dbraw/zinc/25/23/90/177252390.db2.gz QJVLKXIWLZIXHM-ZDUSSCGKSA-N 3 1 242.411 0.164 10 0 BCAEMP C[C@H]1COCC[N@@H+]1CCN1CCC[NH2+]CC1 ZINC000061275017 177290958 /nfs/dbraw/zinc/29/09/58/177290958.db2.gz ACPWVTKKDFUGJZ-LBPRGKRZSA-N 2 1 227.352 0.002 10 0 BCAEMP C[C@H]1COCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275017 177290960 /nfs/dbraw/zinc/29/09/60/177290960.db2.gz ACPWVTKKDFUGJZ-LBPRGKRZSA-N 2 1 227.352 0.002 10 0 BCAEMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C)C2)CC[C@@H]1[NH3+] ZINC000055139808 177308267 /nfs/dbraw/zinc/30/82/67/177308267.db2.gz BUTXQYYCSORYKO-YFKTTZPYSA-N 2 1 239.363 0.570 10 0 BCAEMP Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000400483598 226344577 /nfs/dbraw/zinc/34/45/77/226344577.db2.gz CRGBVLARAHNMJU-NWDGAFQWSA-N 2 1 222.336 0.922 10 0 BCAEMP C[C@@H]1CN(CCCc2c[nH+]cn2C)C[C@@H]1[NH3+] ZINC000314925467 487670356 /nfs/dbraw/zinc/67/03/56/487670356.db2.gz QBBBQMYRKUNPEO-PWSUYJOCSA-N 2 1 222.336 0.632 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH2+]C)C1 ZINC000054076047 487683692 /nfs/dbraw/zinc/68/36/92/487683692.db2.gz DZOXLFOCIKEUGP-ZJUUUORDSA-N 2 1 213.325 0.195 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164355 487707564 /nfs/dbraw/zinc/70/75/64/487707564.db2.gz OFSAHYRKWSIKEO-WAAKLRNESA-N 2 1 239.363 0.726 10 0 BCAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000136204515 487717272 /nfs/dbraw/zinc/71/72/72/487717272.db2.gz HQYCGVPZLQRMKW-DGCLKSJQSA-N 2 1 239.363 0.729 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000250222427 487729610 /nfs/dbraw/zinc/72/96/10/487729610.db2.gz DZOXLFOCIKEUGP-UWVGGRQHSA-N 2 1 213.325 0.195 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089449817 487817121 /nfs/dbraw/zinc/81/71/21/487817121.db2.gz BESPJRYKIPFIBA-RYUDHWBXSA-N 2 1 239.363 0.526 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089459232 487821615 /nfs/dbraw/zinc/82/16/15/487821615.db2.gz QYNJQLWOEXWUDI-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@H]1C[C@@H]([NH2+]CC2CC(O)C2)CC[N@H+]1C ZINC000156137518 326219971 /nfs/dbraw/zinc/21/99/71/326219971.db2.gz IMDQSPQNGIAMSO-VOBJUBJWSA-N 2 1 212.337 0.830 10 0 BCAEMP C[NH+](C)CCCN(C=O)C[C@H]1CCC[N@H+]1C ZINC000584659132 488021121 /nfs/dbraw/zinc/02/11/21/488021121.db2.gz SUTKLQYWKCXLTA-GFCCVEGCSA-N 2 1 227.352 0.491 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[NH2+]C(C)C ZINC000092630021 488099049 /nfs/dbraw/zinc/09/90/49/488099049.db2.gz RAUJWCVDCZKSAQ-GFCCVEGCSA-N 2 1 241.379 0.927 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000136409021 488101537 /nfs/dbraw/zinc/10/15/37/488101537.db2.gz ZLFYQCZZVJNOTH-LBPRGKRZSA-N 2 1 239.363 0.666 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000136392296 488101572 /nfs/dbraw/zinc/10/15/72/488101572.db2.gz BAYOOJPYOUYMFH-VXGBXAGGSA-N 2 1 239.363 0.666 10 0 BCAEMP COC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000308791183 487494309 /nfs/dbraw/zinc/49/43/09/487494309.db2.gz BBRGUJAIRFWXAD-QWRGUYRKSA-N 2 1 218.341 0.312 10 0 BCAEMP COC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000308791183 487494311 /nfs/dbraw/zinc/49/43/11/487494311.db2.gz BBRGUJAIRFWXAD-QWRGUYRKSA-N 2 1 218.341 0.312 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000094294962 487526278 /nfs/dbraw/zinc/52/62/78/487526278.db2.gz JNFMQWXWDORLNU-NSHDSACASA-N 2 1 239.363 0.858 10 0 BCAEMP [NH3+]C1(CC(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000094294574 487526436 /nfs/dbraw/zinc/52/64/36/487526436.db2.gz VUUGATJDGLBYMI-NSHDSACASA-N 2 1 237.347 0.565 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227799731 488092772 /nfs/dbraw/zinc/09/27/72/488092772.db2.gz VANYUSSQEWOQAW-MXWKQRLJSA-N 2 1 225.336 0.324 10 0 BCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1([NH3+])CC1 ZINC000398105687 488210337 /nfs/dbraw/zinc/21/03/37/488210337.db2.gz VMCVWOLZJSQBSB-QWRGUYRKSA-N 2 1 237.347 0.563 10 0 BCAEMP NC(=O)[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000757151796 582536210 /nfs/dbraw/zinc/53/62/10/582536210.db2.gz XQJWIYUFXIRNKC-AEJSXWLSSA-N 2 1 211.309 0.064 10 0 BCAEMP NC(=O)[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000757151796 582536211 /nfs/dbraw/zinc/53/62/11/582536211.db2.gz XQJWIYUFXIRNKC-AEJSXWLSSA-N 2 1 211.309 0.064 10 0 BCAEMP [NH3+][C@H]1C[NH2+]C[C@H](c2cccc(C=O)c2)C1 ZINC000757217861 582562782 /nfs/dbraw/zinc/56/27/82/582562782.db2.gz SXRGNYSMKJACMN-VXGBXAGGSA-N 2 1 204.273 0.903 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261541555 535648970 /nfs/dbraw/zinc/64/89/70/535648970.db2.gz BHUMVCMETGYWPG-USZNOCQGSA-N 2 1 240.347 0.997 10 0 BCAEMP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261541555 535648974 /nfs/dbraw/zinc/64/89/74/535648974.db2.gz BHUMVCMETGYWPG-USZNOCQGSA-N 2 1 240.347 0.997 10 0 BCAEMP CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C[C@H]1C ZINC000242522447 521720221 /nfs/dbraw/zinc/72/02/21/521720221.db2.gz ITGHNYQTPUYFDE-NEPJUHHUSA-N 2 1 211.353 0.764 10 0 BCAEMP CCOC(=O)C[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 ZINC000260392152 582880239 /nfs/dbraw/zinc/88/02/39/582880239.db2.gz KJIKZLHMGWPNNM-UWVGGRQHSA-N 2 1 214.309 0.609 10 0 BCAEMP CCc1[nH+]ccn1CC[C@](C)([NH3+])C(N)=O ZINC000045460668 582879989 /nfs/dbraw/zinc/87/99/89/582879989.db2.gz VBNDOLAFEAQAIK-JTQLQIEISA-N 2 1 210.281 0.038 10 0 BCAEMP Cn1cncc1[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C ZINC000085168894 527512540 /nfs/dbraw/zinc/51/25/40/527512540.db2.gz BNYHESMNDBMAIR-GXSJLCMTSA-N 2 1 208.309 0.762 10 0 BCAEMP Cn1cncc1[C@H]1[C@H](C[NH3+])CCC[N@H+]1C ZINC000085168894 527512546 /nfs/dbraw/zinc/51/25/46/527512546.db2.gz BNYHESMNDBMAIR-GXSJLCMTSA-N 2 1 208.309 0.762 10 0 BCAEMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400347802 528823761 /nfs/dbraw/zinc/82/37/61/528823761.db2.gz IISFDNAJHHQZMD-NWDGAFQWSA-N 2 1 213.369 0.914 10 0 BCAEMP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000261541184 535992376 /nfs/dbraw/zinc/99/23/76/535992376.db2.gz AUHOWSLLWSDGIL-MVWJERBFSA-N 2 1 237.347 0.276 10 0 BCAEMP COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263296013 537047607 /nfs/dbraw/zinc/04/76/07/537047607.db2.gz WHNVUMCTRCBAKV-NEPJUHHUSA-N 2 1 236.315 0.365 10 0 BCAEMP C[C@@H]([C@@H]([NH3+])C(N)=O)n1cc[nH+]c1C1CC1 ZINC000704164043 582938620 /nfs/dbraw/zinc/93/86/20/582938620.db2.gz CVXCBBCQWREJOZ-POYBYMJQSA-N 2 1 208.265 0.134 10 0 BCAEMP COC1CC([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000309973372 583083748 /nfs/dbraw/zinc/08/37/48/583083748.db2.gz QWELZTRODFUWIV-UHFFFAOYSA-N 2 1 228.336 0.210 10 0 BCAEMP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000393813074 583113076 /nfs/dbraw/zinc/11/30/76/583113076.db2.gz ZEBVEZDANGOFDA-ZYHUDNBSSA-N 2 1 228.336 0.210 10 0 BCAEMP COC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)C ZINC000399148925 583171148 /nfs/dbraw/zinc/17/11/48/583171148.db2.gz YDGZTIRAFIWZPI-CYBMUJFWSA-N 2 1 244.379 0.704 10 0 BCAEMP C[C@@H]1CNCC[N@H+]1[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054388 583929875 /nfs/dbraw/zinc/92/98/75/583929875.db2.gz VQGYJNNCZNONFR-IJLUTSLNSA-N 2 1 211.353 0.798 10 0 BCAEMP C[C@@H]1C[NH2+]CCN1[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675054388 583929877 /nfs/dbraw/zinc/92/98/77/583929877.db2.gz VQGYJNNCZNONFR-IJLUTSLNSA-N 2 1 211.353 0.798 10 0 BCAEMP CCOC(=O)[C@H]1C[NH2+]C[C@]12CCC[N@@H+](C)CC2 ZINC000757184932 586433919 /nfs/dbraw/zinc/43/39/19/586433919.db2.gz PEKLYHMKDQZKTQ-DGCLKSJQSA-N 2 1 240.347 0.871 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cnnn2C)[NH2+]1 ZINC000757213179 586439415 /nfs/dbraw/zinc/43/94/15/586439415.db2.gz OVFJMWCJJYVWJZ-MRTMQBJTSA-N 2 1 209.297 0.203 10 0 BCAEMP N[C@@H]1CCC[NH2+][C@H]1c1ccc(C[NH3+])cc1 ZINC000757216539 586441052 /nfs/dbraw/zinc/44/10/52/586441052.db2.gz QGNAMZHSMPCNPH-NEPJUHHUSA-N 2 1 205.305 0.897 10 0 BCAEMP [NH3+]Cc1cccc([C@H]2C[C@@H]([NH3+])CCN2)c1 ZINC000757220789 586442425 /nfs/dbraw/zinc/44/24/25/586442425.db2.gz ZNMBEPAUNRTIPY-NWDGAFQWSA-N 2 1 205.305 0.897 10 0 BCAEMP C[C@@H]1C[NH2+][C@H]([C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](N)C1 ZINC000757234610 586443118 /nfs/dbraw/zinc/44/31/18/586443118.db2.gz KRVFVTLXTFSUMA-HHHUOAJASA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2[NH2+]CC[C@H](C)[C@H]2N)CC[NH2+]1 ZINC000757231171 586443280 /nfs/dbraw/zinc/44/32/80/586443280.db2.gz GMGCMCIHFSDBFI-KQSJRHEJSA-N 2 1 211.353 0.700 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[C@H](N)[C@@H](C)[NH2+]2)CC[NH2+]1 ZINC000757237185 586443701 /nfs/dbraw/zinc/44/37/01/586443701.db2.gz POKTYQJFRBNMSO-JCIQBVFBSA-N 2 1 211.353 0.842 10 0 BCAEMP C[C@@H]1C[C@H]([C@@H]2CC[C@@H](N)[C@H](C)[NH2+]2)CC[NH2+]1 ZINC000757237199 586443888 /nfs/dbraw/zinc/44/38/88/586443888.db2.gz POKTYQJFRBNMSO-ROHXPCBUSA-N 2 1 211.353 0.842 10 0 BCAEMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000125135410 590125671 /nfs/dbraw/zinc/12/56/71/590125671.db2.gz DHSFKDCKCLQOLD-GFCCVEGCSA-N 3 1 211.353 0.670 10 0 BCAEMP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](CC)CCO1 ZINC000129530398 591321761 /nfs/dbraw/zinc/32/17/61/591321761.db2.gz JFZJQLLVLVNCIW-SNVBAGLBSA-N 2 1 228.340 0.231 10 0 BCAEMP CCCNC(=[NH2+])NC[C@@H]1C[N@@H+](CC)CCO1 ZINC000129530398 591321764 /nfs/dbraw/zinc/32/17/64/591321764.db2.gz JFZJQLLVLVNCIW-SNVBAGLBSA-N 2 1 228.340 0.231 10 0 BCAEMP CCc1cc(NC[C@H]2C[NH2+]CCO2)nc(C)[nH+]1 ZINC000134275152 591908962 /nfs/dbraw/zinc/90/89/62/591908962.db2.gz JSGSJQMOTZRKMP-LLVKDONJSA-N 2 1 236.319 0.748 10 0 BCAEMP CC[N@@H+]1CCO[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000135794365 592055058 /nfs/dbraw/zinc/05/50/58/592055058.db2.gz ZLZMJLGJTBFTCI-SNVBAGLBSA-N 2 1 242.367 0.620 10 0 BCAEMP CC[N@H+]1CCO[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000135794365 592055059 /nfs/dbraw/zinc/05/50/59/592055059.db2.gz ZLZMJLGJTBFTCI-SNVBAGLBSA-N 2 1 242.367 0.620 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000300354923 592507299 /nfs/dbraw/zinc/50/72/99/592507299.db2.gz KRKJBCWWLCFPIM-VIFPVBQESA-N 2 1 212.341 0.993 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]12 ZINC000308981355 631779357 /nfs/dbraw/zinc/77/93/57/631779357.db2.gz KMSIRGBNMFBEHH-DDHJBXDOSA-N 2 1 210.321 0.835 10 0 BCAEMP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309115504 632641633 /nfs/dbraw/zinc/64/16/33/632641633.db2.gz LJBIXSHJDYDDQH-ZYHUDNBSSA-N 2 1 212.337 0.831 10 0 BCAEMP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000309115501 632642104 /nfs/dbraw/zinc/64/21/04/632642104.db2.gz LJBIXSHJDYDDQH-CMPLNLGQSA-N 2 1 212.337 0.831 10 0 BCAEMP C[C@@H]1C[N@@H+](CCCCCCO)C[C@@H]1[NH3+] ZINC000235365463 632678162 /nfs/dbraw/zinc/67/81/62/632678162.db2.gz NFXFYBCZYJKODP-MNOVXSKESA-N 2 1 200.326 0.818 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310450192 632742769 /nfs/dbraw/zinc/74/27/69/632742769.db2.gz VJMOEAXFCWUKTN-UMSGYPCISA-N 2 1 242.363 0.441 10 0 BCAEMP Cc1[nH+]cn(C[C@H]([NH2+]C(C)C)C(N)=O)c1C ZINC000051928177 632765632 /nfs/dbraw/zinc/76/56/32/632765632.db2.gz SPBYEUNLDRRFHA-JTQLQIEISA-N 2 1 224.308 0.352 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000227804501 632940985 /nfs/dbraw/zinc/94/09/85/632940985.db2.gz MMLXWUOOOPBODM-GMTAPVOTSA-N 2 1 237.347 0.467 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000309456957 633088296 /nfs/dbraw/zinc/08/82/96/633088296.db2.gz SRHRURDGGORAFH-RYUDHWBXSA-N 2 1 230.352 0.443 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000040503648 633817104 /nfs/dbraw/zinc/81/71/04/633817104.db2.gz AXWPSOHNQKUUOI-NXEZZACHSA-N 2 1 213.325 0.324 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000309456958 633921303 /nfs/dbraw/zinc/92/13/03/633921303.db2.gz SRHRURDGGORAFH-VXGBXAGGSA-N 2 1 230.352 0.443 10 0 BCAEMP Cc1cnc(C)c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000322277619 636828743 /nfs/dbraw/zinc/82/87/43/636828743.db2.gz XLMVEQAGBXQZLF-UHFFFAOYSA-N 2 1 249.362 0.928 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966741 /nfs/dbraw/zinc/96/67/41/640966741.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966734 /nfs/dbraw/zinc/96/67/34/640966734.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966743 /nfs/dbraw/zinc/96/67/43/640966743.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 2 1 244.379 0.390 10 0 BCAEMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401599190 640966749 /nfs/dbraw/zinc/96/67/49/640966749.db2.gz YGQZMLCAPAZOAJ-JHJVBQTASA-N 2 1 244.379 0.390 10 0 BCAEMP CC[NH2+][C@@H](CCn1cc[nH+]c1C)C(N)=O ZINC000062535071 641057878 /nfs/dbraw/zinc/05/78/78/641057878.db2.gz UCQGSJAPTIJKHA-VIFPVBQESA-N 2 1 210.281 0.045 10 0 BCAEMP [NH3+]CCCOCCNc1[nH+]cnc2[nH]ccc21 ZINC000630537370 641950638 /nfs/dbraw/zinc/95/06/38/641950638.db2.gz NAEBLOSJETTWQA-UHFFFAOYSA-N 2 1 235.291 0.735 10 0 BCAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000069660988 642892988 /nfs/dbraw/zinc/89/29/88/642892988.db2.gz VKNLBHBHKWFSAP-VXGBXAGGSA-N 2 1 230.352 0.314 10 0 BCAEMP COC[C@@H]1CCOC2(CC[NH+](C)CC2)[NH2+]1 ZINC000757151994 643343700 /nfs/dbraw/zinc/34/37/00/643343700.db2.gz UNVODLZUTYFOKT-JTQLQIEISA-N 2 1 214.309 0.433 10 0 BCAEMP C[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1C)C(N)=O ZINC000082800226 643382931 /nfs/dbraw/zinc/38/29/31/643382931.db2.gz YCTJIUDWRCLFBC-LDYMZIIASA-N 2 1 224.308 0.606 10 0 BCAEMP C[C@@H]([NH3+])CN(C)c1cc[nH+]c(N(C)C)n1 ZINC000082924646 643388790 /nfs/dbraw/zinc/38/87/90/643388790.db2.gz WTMNALBMTQQWHX-MRVPVSSYSA-N 2 1 209.297 0.326 10 0 BCAEMP CCc1[nH+]ccn1C[C@]([NH3+])(C(N)=O)C1CC1 ZINC000068943267 643433760 /nfs/dbraw/zinc/43/37/60/643433760.db2.gz QFMOUOTUECQUSB-LLVKDONJSA-N 2 1 222.292 0.038 10 0 BCAEMP CCCc1[nH+]ccn1CC[C@H]([NH2+]C)C(N)=O ZINC000069964564 643452237 /nfs/dbraw/zinc/45/22/37/643452237.db2.gz QRZXCGLMLLUOSP-VIFPVBQESA-N 2 1 224.308 0.299 10 0 BCAEMP CCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800563 643525786 /nfs/dbraw/zinc/52/57/86/643525786.db2.gz QLQCGWJPLUNQGY-KWQFWETISA-N 2 1 224.308 0.599 10 0 BCAEMP CCc1[nH+]ccn1C[C@H]([NH2+]C1CC1)C(N)=O ZINC000045460244 643555866 /nfs/dbraw/zinc/55/58/66/643555866.db2.gz ZTPKZMNKYUIZFZ-VIFPVBQESA-N 2 1 222.292 0.051 10 0 BCAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@@]([NH3+])(C(N)=O)C1 ZINC000086604655 644154812 /nfs/dbraw/zinc/15/48/12/644154812.db2.gz SXOBAOBNFRRTPN-KOLCDFICSA-N 2 1 222.292 0.489 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638517 644157921 /nfs/dbraw/zinc/15/79/21/644157921.db2.gz ONICGYBVYDLWOJ-NSHDSACASA-N 2 1 232.368 0.689 10 0 BCAEMP CN1CCC([N@@H+](C)C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052419865 644536912 /nfs/dbraw/zinc/53/69/12/644536912.db2.gz ZRUPCIDQNKWYDJ-OLZOCXBDSA-N 2 1 241.379 0.519 10 0 BCAEMP C[N@H+](C[C@@H]1CC[C@H](C[NH3+])O1)C1CC[NH+](C)CC1 ZINC000052419865 644536916 /nfs/dbraw/zinc/53/69/16/644536916.db2.gz ZRUPCIDQNKWYDJ-OLZOCXBDSA-N 3 1 241.379 0.519 10 0 BCAEMP C[N@@H+](C[C@@H]1CC[C@H](C[NH3+])O1)C1CC[NH+](C)CC1 ZINC000052419865 644536920 /nfs/dbraw/zinc/53/69/20/644536920.db2.gz ZRUPCIDQNKWYDJ-OLZOCXBDSA-N 3 1 241.379 0.519 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246743167 644603942 /nfs/dbraw/zinc/60/39/42/644603942.db2.gz ZGOPTWBNDHSSRV-QWRGUYRKSA-N 2 1 227.352 0.570 10 0 BCAEMP CCn1cc([C@H]2CC[NH2+][C@@H](C[NH3+])C2)cn1 ZINC000757242791 644865212 /nfs/dbraw/zinc/86/52/12/644865212.db2.gz YWXXZIQFXJINRD-GXSJLCMTSA-N 2 1 208.309 0.697 10 0 BCAEMP COC[C@H](O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000252787057 644907035 /nfs/dbraw/zinc/90/70/35/644907035.db2.gz QBYRXJNONYNHRI-WDEREUQCSA-N 2 1 216.325 0.068 10 0 BCAEMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CCCO1 ZINC000313333594 711718728 /nfs/dbraw/zinc/71/87/28/711718728.db2.gz FKJPKKKGARFCIZ-WDEREUQCSA-N 2 1 214.309 0.215 10 0 BCAEMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)C[C@H]1CO ZINC000708699001 712197685 /nfs/dbraw/zinc/19/76/85/712197685.db2.gz SAVVDKHTMQTTLE-YPMHNXCESA-N 2 1 226.364 0.888 10 0 BCAEMP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723711671 711535732 /nfs/dbraw/zinc/53/57/32/711535732.db2.gz FICJSTCYJARBCV-NEPJUHHUSA-N 2 1 230.352 0.443 10 0 BCAEMP C[NH+]1C[C@@H]2C[N@H+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000702345619 712045643 /nfs/dbraw/zinc/04/56/43/712045643.db2.gz FLBSAUQUUIZWND-NEPJUHHUSA-N 2 1 224.348 0.785 10 0 BCAEMP C[NH+]1C[C@@H]2C[N@@H+](CC3(O)CCC3)C[C@]2(C)C1 ZINC000702345619 712045645 /nfs/dbraw/zinc/04/56/45/712045645.db2.gz FLBSAUQUUIZWND-NEPJUHHUSA-N 2 1 224.348 0.785 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830376 712200053 /nfs/dbraw/zinc/20/00/53/712200053.db2.gz LZYCKTHJPXSTMH-FRRDWIJNSA-N 2 1 244.379 0.691 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000708847658 712200704 /nfs/dbraw/zinc/20/07/04/712200704.db2.gz DBWXPQICAKVENR-VGMNWLOBSA-N 2 1 240.269 0.826 10 0 BCAEMP COCC(COC)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708853619 712201475 /nfs/dbraw/zinc/20/14/75/712201475.db2.gz SQIZZTONWGZRLA-UWVGGRQHSA-N 2 1 216.325 0.174 10 0 BCAEMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cn(C)nn1 ZINC000720585081 712854530 /nfs/dbraw/zinc/85/45/30/712854530.db2.gz VJMMCIDETCZBPJ-GUBZILKMSA-N 2 1 223.324 0.736 10 0 BCAEMP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955216 538900760 /nfs/dbraw/zinc/90/07/60/538900760.db2.gz WITDNCHBQACLQS-STQMWFEESA-N 2 1 223.364 0.892 10 0 BCAEMP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CN1CCC2CC1 ZINC000685955216 538900761 /nfs/dbraw/zinc/90/07/61/538900761.db2.gz WITDNCHBQACLQS-STQMWFEESA-N 2 1 223.364 0.892 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649328261 398146135 /nfs/dbraw/zinc/14/61/35/398146135.db2.gz JQSCXYHICAVJGV-GRYCIOLGSA-N 2 1 239.363 0.666 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649328262 398146209 /nfs/dbraw/zinc/14/62/09/398146209.db2.gz JQSCXYHICAVJGV-TUAOUCFPSA-N 2 1 239.363 0.666 10 0 BCAEMP C[C@H]([NH3+])[C@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000307511897 398173879 /nfs/dbraw/zinc/17/38/79/398173879.db2.gz LXEQDSOWDMSERX-GUBZILKMSA-N 2 1 200.326 0.815 10 0 BCAEMP c1ccc2[nH+]c(NC[C@@H]3C[NH2+]CCCO3)[nH]c2c1 ZINC000390164035 398165205 /nfs/dbraw/zinc/16/52/05/398165205.db2.gz AVMNOXFWKXICKQ-JTQLQIEISA-N 2 1 246.314 0.775 10 0 BCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])C(C)C ZINC000092629549 398235743 /nfs/dbraw/zinc/23/57/43/398235743.db2.gz MPAIKBUXONYRDA-NWDGAFQWSA-N 2 1 241.379 0.912 10 0 BCAEMP C[C@@H](CNC(=O)OC(C)(C)C)[C@H](N)C[NH3+] ZINC000306651587 361856107 /nfs/dbraw/zinc/85/61/07/361856107.db2.gz GGLZNOJSKKDWLF-JGVFFNPUSA-N 2 1 217.313 0.433 10 0 BCAEMP Cc1cnn(CC[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838662 398285871 /nfs/dbraw/zinc/28/58/71/398285871.db2.gz SKXJRDRUHUSHPI-NWDGAFQWSA-N 2 1 222.336 0.718 10 0 BCAEMP CCOC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000381512208 539002811 /nfs/dbraw/zinc/00/28/11/539002811.db2.gz XNVHSEGIEQWYCG-NSHDSACASA-N 2 1 230.352 0.458 10 0 BCAEMP CCc1[nH+]ccn1[C@@H](C)[C@H]([NH2+]C)C(N)=O ZINC000710717103 539028076 /nfs/dbraw/zinc/02/80/76/539028076.db2.gz GFIUQXFEVZQYEI-CBAPKCEASA-N 2 1 210.281 0.080 10 0 BCAEMP C[C@H](C[N@H+]1CCSC[C@@H]1C)C(N)=[NH2+] ZINC000069761059 342839720 /nfs/dbraw/zinc/83/97/20/342839720.db2.gz JBPGQCCKYLLMBL-SFYZADRCSA-N 2 1 201.339 0.996 10 0 BCAEMP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000167337131 136245430 /nfs/dbraw/zinc/24/54/30/136245430.db2.gz CMQQMNGNRBYMJH-VWYCJHECSA-N 2 1 239.363 0.713 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000134156281 343188517 /nfs/dbraw/zinc/18/85/17/343188517.db2.gz DODSWLVIWUIUJY-DTWKUNHWSA-N 2 1 200.282 0.361 10 0 BCAEMP Cc1c[nH+]c2ccc(NC(=O)C[NH3+])cn12 ZINC000031958913 343227065 /nfs/dbraw/zinc/22/70/65/343227065.db2.gz RRHIICLQXLUERK-UHFFFAOYSA-N 2 1 204.233 0.540 10 0 BCAEMP CC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000070822831 343341289 /nfs/dbraw/zinc/34/12/89/343341289.db2.gz GAHNXBKLQJUTEV-GHMZBOCLSA-N 2 1 200.326 0.641 10 0 BCAEMP CC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000070822831 343341290 /nfs/dbraw/zinc/34/12/90/343341290.db2.gz GAHNXBKLQJUTEV-GHMZBOCLSA-N 2 1 200.326 0.641 10 0 BCAEMP CC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822831 343341291 /nfs/dbraw/zinc/34/12/91/343341291.db2.gz GAHNXBKLQJUTEV-GHMZBOCLSA-N 2 1 200.326 0.641 10 0 BCAEMP [NH3+]CC[C@@H]1c2ccccc2CC[N@@H+]1CCO ZINC000616678389 343536580 /nfs/dbraw/zinc/53/65/80/343536580.db2.gz HGGSGPYCBNFXNV-CYBMUJFWSA-N 2 1 220.316 0.927 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C2([NH3+])CC2)C1 ZINC000083835287 343503705 /nfs/dbraw/zinc/50/37/05/343503705.db2.gz FHKWTCMUSAFBEK-SECBINFHSA-N 2 1 211.309 0.078 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[NH2+]C ZINC000086188867 343613687 /nfs/dbraw/zinc/61/36/87/343613687.db2.gz CUHPQQODOOHAPQ-SNVBAGLBSA-N 2 1 213.325 0.149 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH3+] ZINC000086188863 343613975 /nfs/dbraw/zinc/61/39/75/343613975.db2.gz PZGFLEBUPBKANG-VHSXEESVSA-N 2 1 213.325 0.276 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228145 /nfs/dbraw/zinc/22/81/45/488228145.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 2 1 230.352 0.144 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228147 /nfs/dbraw/zinc/22/81/47/488228147.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228150 /nfs/dbraw/zinc/22/81/50/488228150.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228151 /nfs/dbraw/zinc/22/81/51/488228151.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228154 /nfs/dbraw/zinc/22/81/54/488228154.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399220371 488228156 /nfs/dbraw/zinc/22/81/56/488228156.db2.gz ITEBPYMQMPMSNV-TUAOUCFPSA-N 2 1 230.352 0.144 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC1 ZINC000261544482 349850086 /nfs/dbraw/zinc/85/00/86/349850086.db2.gz YQUGFYNPDLLFBD-QWRGUYRKSA-N 2 1 239.363 0.714 10 0 BCAEMP C[C@H]1C[N@@H+](CC(C)(C)C[NH3+])CC[C@@H]1O ZINC000127219680 344042046 /nfs/dbraw/zinc/04/20/46/344042046.db2.gz YJOPRIAPXSQCIU-UWVGGRQHSA-N 2 1 200.326 0.674 10 0 BCAEMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000220246782 344124019 /nfs/dbraw/zinc/12/40/19/344124019.db2.gz NDVAPZKCBOTHLW-SNVBAGLBSA-N 2 1 243.351 0.853 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000040924893 344410728 /nfs/dbraw/zinc/41/07/28/344410728.db2.gz LAPXUKATZSDRGT-SECBINFHSA-N 2 1 213.325 0.324 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)CC[NH2+]C)C1 ZINC000043605766 344529426 /nfs/dbraw/zinc/52/94/26/344529426.db2.gz UVLQLZGYUQFSQC-JTQLQIEISA-N 2 1 213.325 0.196 10 0 BCAEMP C[C@@H](C[N@H+]1CCS[C@@H](C)C1)C(N)=[NH2+] ZINC000220961598 344650535 /nfs/dbraw/zinc/65/05/35/344650535.db2.gz BBZBDTXVVZWIGZ-YUMQZZPRSA-N 2 1 201.339 0.996 10 0 BCAEMP N[C@H]1CC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000050227645 344659672 /nfs/dbraw/zinc/65/96/72/344659672.db2.gz XYJYFVPILPFUFB-JTQLQIEISA-N 2 1 226.320 0.705 10 0 BCAEMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000050227645 344659675 /nfs/dbraw/zinc/65/96/75/344659675.db2.gz XYJYFVPILPFUFB-JTQLQIEISA-N 2 1 226.320 0.705 10 0 BCAEMP [NH3+][C@H]1CC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000050227645 344659677 /nfs/dbraw/zinc/65/96/77/344659677.db2.gz XYJYFVPILPFUFB-JTQLQIEISA-N 2 1 226.320 0.705 10 0 BCAEMP CC(C)[N@@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675074854 537883869 /nfs/dbraw/zinc/88/38/69/537883869.db2.gz CFLVADLZOSDSMT-VIFPVBQESA-N 2 1 212.293 0.232 10 0 BCAEMP [NH3+]C[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000226775264 345061769 /nfs/dbraw/zinc/06/17/69/345061769.db2.gz FIWSNKCKCVNTPG-KGLIPLIRSA-N 2 1 248.326 0.963 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000245405578 345225786 /nfs/dbraw/zinc/22/57/86/345225786.db2.gz UETQVLXZCHWPDN-WDEREUQCSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@H]1C[C@H](C(F)F)N2NC(CC[NH3+])=NC2=[NH+]1 ZINC000720941990 537892048 /nfs/dbraw/zinc/89/20/48/537892048.db2.gz SITCJKUFAWCXLI-NTSWFWBYSA-N 2 1 231.250 0.336 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227883896 345281645 /nfs/dbraw/zinc/28/16/45/345281645.db2.gz NBXAIZHTYVEYSW-IJLUTSLNSA-N 2 1 239.363 0.714 10 0 BCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248492924 345403794 /nfs/dbraw/zinc/40/37/94/345403794.db2.gz OYBDNQWGXVSUFJ-IJLUTSLNSA-N 2 1 241.379 0.912 10 0 BCAEMP CN(C)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC000082924171 345913426 /nfs/dbraw/zinc/91/34/26/345913426.db2.gz JDAQSYAYANNXPO-UHFFFAOYSA-N 2 1 221.308 0.470 10 0 BCAEMP C[NH+](C)[C@H]1CCN(CC(F)(F)C[NH3+])C1 ZINC000308622416 537967132 /nfs/dbraw/zinc/96/71/32/537967132.db2.gz WYERMFOCYDECSQ-QMMMGPOBSA-N 2 1 207.268 0.216 10 0 BCAEMP CCC[N@@H+](CC)C[C@H]1CNC[C@@H](C[NH3+])C1 ZINC000669378599 537968010 /nfs/dbraw/zinc/96/80/10/537968010.db2.gz IRCIXNSEHVHWTL-VXGBXAGGSA-N 2 1 213.369 0.903 10 0 BCAEMP Cc1cccc(N(C)CC(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000038031688 179116284 /nfs/dbraw/zinc/11/62/84/179116284.db2.gz PFHXFRWCCIZCMO-UHFFFAOYSA-N 2 1 248.330 0.258 10 0 BCAEMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH3+])cc1C=O ZINC000725242610 537985722 /nfs/dbraw/zinc/98/57/22/537985722.db2.gz LSAIBEBSKZXXGH-VXGBXAGGSA-N 2 1 234.299 0.912 10 0 BCAEMP C[N@@H+]1CCN(c2ccccc2)[C@H](C2=[NH+]CCN2)C1 ZINC000039187800 347183754 /nfs/dbraw/zinc/18/37/54/347183754.db2.gz VVASLRLWCLWNCC-ZDUSSCGKSA-N 2 1 244.342 0.809 10 0 BCAEMP C[N@H+]1CCN(c2ccccc2)[C@H](C2=[NH+]CCN2)C1 ZINC000039187800 347183758 /nfs/dbraw/zinc/18/37/58/347183758.db2.gz VVASLRLWCLWNCC-ZDUSSCGKSA-N 2 1 244.342 0.809 10 0 BCAEMP C[C@H](O)C[N@@H+](C)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000251102742 362838471 /nfs/dbraw/zinc/83/84/71/362838471.db2.gz NFPGQAVFPGLCSA-HBNTYKKESA-N 2 1 200.326 0.959 10 0 BCAEMP CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082558917 347827953 /nfs/dbraw/zinc/82/79/53/347827953.db2.gz WUWWUSMPIZANJA-GHMZBOCLSA-N 2 1 225.336 0.006 10 0 BCAEMP CC(C)(C)OC(=O)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000725244274 537995617 /nfs/dbraw/zinc/99/56/17/537995617.db2.gz HBOCPMLZSYEMTA-CYBMUJFWSA-N 2 1 240.347 0.999 10 0 BCAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)[C@H](C)O)C1 ZINC000251519022 362883553 /nfs/dbraw/zinc/88/35/53/362883553.db2.gz JFWCNJPPRAGYRP-XWLWVQCSSA-N 2 1 200.326 0.815 10 0 BCAEMP C[C@@H]1CN(C[C@H]2CC[N@@H+](C)C2)CCC1=O ZINC000251785695 362918240 /nfs/dbraw/zinc/91/82/40/362918240.db2.gz NECNCRLVFAYQFW-MNOVXSKESA-N 2 1 210.321 0.849 10 0 BCAEMP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000669382899 538005564 /nfs/dbraw/zinc/00/55/64/538005564.db2.gz NLBGKVRQSCACLP-RYUDHWBXSA-N 2 1 210.321 0.849 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291004 348962884 /nfs/dbraw/zinc/96/28/84/348962884.db2.gz WKEHFVHQZJQBSH-NWDGAFQWSA-N 2 1 239.363 0.444 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000252601560 349206803 /nfs/dbraw/zinc/20/68/03/349206803.db2.gz MLNYZCKXIBMOAV-SDDRHHMPSA-N 2 1 239.363 0.585 10 0 BCAEMP C[N@H+]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000070618617 350031874 /nfs/dbraw/zinc/03/18/74/350031874.db2.gz OIVHMEWUOPYSEL-GFCCVEGCSA-N 2 1 225.336 0.293 10 0 BCAEMP C([NH2+]C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000238023195 191072671 /nfs/dbraw/zinc/07/26/71/191072671.db2.gz BFHPUFIKTFQEIP-TXEJJXNPSA-N 3 1 211.353 0.575 10 0 BCAEMP Cc1[nH+]ccn1CCN1CCC[NH2+]CC1 ZINC000049329233 180251357 /nfs/dbraw/zinc/25/13/57/180251357.db2.gz ZKQAKNPKVBKPIA-UHFFFAOYSA-N 2 1 208.309 0.487 10 0 BCAEMP Cc1[nH+]ccn1CCN1CC[NH2+]C[C@H]1C ZINC000054374741 180254636 /nfs/dbraw/zinc/25/46/36/180254636.db2.gz YORNDZIBEHOXMO-SNVBAGLBSA-N 2 1 208.309 0.485 10 0 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244.379 0.704 10 0 BCAEMP CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515415 355251930 /nfs/dbraw/zinc/25/19/30/355251930.db2.gz DNWCTQPCQOOXCP-NSHDSACASA-N 2 1 227.352 0.396 10 0 BCAEMP [NH3+]C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)C1CCCC1 ZINC000417835022 191933808 /nfs/dbraw/zinc/93/38/08/191933808.db2.gz NLQVBORDZQATQM-ZJUUUORDSA-N 2 1 243.376 0.283 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675074852 538507738 /nfs/dbraw/zinc/50/77/38/538507738.db2.gz CFLVADLZOSDSMT-SECBINFHSA-N 2 1 212.293 0.232 10 0 BCAEMP Cc1ccnc(N)c1C1=C[C@H](N)C[NH2+]C1 ZINC000675079314 538517367 /nfs/dbraw/zinc/51/73/67/538517367.db2.gz XOOWNZAZJWVSHE-VIFPVBQESA-N 2 1 204.277 0.286 10 0 BCAEMP Cc1nn(C)cc1CC1=C[C@H]([NH3+])CNC1 ZINC000675079296 538517704 /nfs/dbraw/zinc/51/77/04/538517704.db2.gz XLYZXGAYBDCOFJ-NSHDSACASA-N 2 1 206.293 0.128 10 0 BCAEMP Cc1ccnc(N)c1C1=C[C@@H](N)C[NH2+]C1 ZINC000675079311 538518129 /nfs/dbraw/zinc/51/81/29/538518129.db2.gz XOOWNZAZJWVSHE-SECBINFHSA-N 2 1 204.277 0.286 10 0 BCAEMP CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000091430861 538595058 /nfs/dbraw/zinc/59/50/58/538595058.db2.gz MZESZVFYAGIAOX-UPJWGTAASA-N 2 1 241.379 0.519 10 0 BCAEMP CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000091430861 538595060 /nfs/dbraw/zinc/59/50/60/538595060.db2.gz MZESZVFYAGIAOX-UPJWGTAASA-N 2 1 241.379 0.519 10 0 BCAEMP O=C(CC[NH2+]C1CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000037812678 357204020 /nfs/dbraw/zinc/20/40/20/357204020.db2.gz XOXNAPUSNMAYOB-LBPRGKRZSA-N 2 1 237.347 0.435 10 0 BCAEMP N[C@@H]1C[NH2+]CC[C@H]1C1CCC2(C[C@H]2[NH3+])CC1 ZINC000685950537 538893890 /nfs/dbraw/zinc/89/38/90/538893890.db2.gz SSHFMEIJUCKSBW-CEPARRHRSA-N 2 1 223.364 0.831 10 0 BCAEMP N[C@@H]1C[NH2+]CC[C@H]1C1CCC2(C[C@@H]2[NH3+])CC1 ZINC000685950538 538894038 /nfs/dbraw/zinc/89/40/38/538894038.db2.gz SSHFMEIJUCKSBW-HBZWBMEYSA-N 2 1 223.364 0.831 10 0 BCAEMP CCN1CC[NH+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CC1 ZINC000685951662 538895017 /nfs/dbraw/zinc/89/50/17/538895017.db2.gz VICUKPZMLAACTQ-RYUDHWBXSA-N 2 1 225.380 0.868 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000168519964 134225384 /nfs/dbraw/zinc/22/53/84/134225384.db2.gz WJGPEKXSWFKYJX-KOLCDFICSA-N 2 1 222.336 0.898 10 0 BCAEMP CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000086188875 357872092 /nfs/dbraw/zinc/87/20/92/357872092.db2.gz NULDYXIVCWEVIW-QWRGUYRKSA-N 2 1 227.352 0.666 10 0 BCAEMP C[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219941700 358011170 /nfs/dbraw/zinc/01/11/70/358011170.db2.gz LMKMHXWCPXBZFL-DTWKUNHWSA-N 2 1 213.325 0.193 10 0 BCAEMP COC(=O)CC[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301536 358019181 /nfs/dbraw/zinc/01/91/81/358019181.db2.gz XUGVBQYWPISEFN-UHFFFAOYSA-N 2 1 200.282 0.233 10 0 BCAEMP CC(C)(O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904457 358097461 /nfs/dbraw/zinc/09/74/61/358097461.db2.gz RQOJEYDCAFYPEP-SNVBAGLBSA-N 2 1 212.337 0.831 10 0 BCAEMP Cc1cc[nH+]c(NCC(=O)N2CC[NH2+]CC2)c1 ZINC000043561756 358381846 /nfs/dbraw/zinc/38/18/46/358381846.db2.gz UZSAMSBZSVHWPD-UHFFFAOYSA-N 2 1 234.303 0.234 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000227432779 358357556 /nfs/dbraw/zinc/35/75/56/358357556.db2.gz UFPKXUKDCPAQTK-CMPLNLGQSA-N 2 1 225.336 0.339 10 0 BCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538924 358390071 /nfs/dbraw/zinc/39/00/71/358390071.db2.gz BEPOJIBMASMKHK-MNOVXSKESA-N 2 1 227.352 0.572 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000219842521 134292241 /nfs/dbraw/zinc/29/22/41/134292241.db2.gz CVTXZLYHMCHHKH-AAEUAGOBSA-N 2 1 239.363 0.587 10 0 BCAEMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[N@@H+](C)C1CC1 ZINC000219973453 134295842 /nfs/dbraw/zinc/29/58/42/134295842.db2.gz AFAMWWNVPPTESJ-JFGNBEQYSA-N 2 1 239.363 0.441 10 0 BCAEMP C[C@@H]1C[N@@H+](CCC(C)(C)[NH3+])CC[C@H]1O ZINC000306187755 359003433 /nfs/dbraw/zinc/00/34/33/359003433.db2.gz FFOQMGUMAJBGSQ-NXEZZACHSA-N 2 1 200.326 0.817 10 0 BCAEMP 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10 0 BCAEMP [NH3+]Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000094568413 360312774 /nfs/dbraw/zinc/31/27/74/360312774.db2.gz OSTLGTZMKSHRHX-SNVBAGLBSA-N 2 1 249.314 0.659 10 0 BCAEMP NC(=[NH2+])N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000306614769 361143009 /nfs/dbraw/zinc/14/30/09/361143009.db2.gz OUSYUXJXXKDMNP-GDNZZTSVSA-N 2 1 230.315 0.600 10 0 BCAEMP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630369236 364086057 /nfs/dbraw/zinc/08/60/57/364086057.db2.gz WAVDNUIQNBAXDZ-AGIUHOORSA-N 2 1 242.363 0.994 10 0 BCAEMP CO[C@@H]1C[N@@H+](CC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630369236 364086062 /nfs/dbraw/zinc/08/60/62/364086062.db2.gz WAVDNUIQNBAXDZ-AGIUHOORSA-N 2 1 242.363 0.994 10 0 BCAEMP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630369241 364086261 /nfs/dbraw/zinc/08/62/61/364086261.db2.gz WAVDNUIQNBAXDZ-RWMBFGLXSA-N 2 1 242.363 0.994 10 0 BCAEMP CO[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630369241 364086264 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ZINC000062248348 181375593 /nfs/dbraw/zinc/37/55/93/181375593.db2.gz LMDIPUXJBJLZSA-UHFFFAOYSA-N 2 1 208.309 0.828 10 0 BCAEMP [NH3+]CCN1CCC[N@@H+](CCc2cccnc2)CC1 ZINC000063221793 181391881 /nfs/dbraw/zinc/39/18/81/181391881.db2.gz JCBOPVKIGXSTPC-UHFFFAOYSA-N 2 1 248.374 0.591 10 0 BCAEMP [NH3+]CCNc1nc(N2CCCC2)[nH+]c2c1CCC2 ZINC000057328668 181398278 /nfs/dbraw/zinc/39/82/78/181398278.db2.gz DQJLEELSKHPCAW-UHFFFAOYSA-N 2 1 247.346 0.936 10 0 BCAEMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CS1 ZINC000399082634 365394602 /nfs/dbraw/zinc/39/46/02/365394602.db2.gz SLUPWCNEJDOSEM-JQWIXIFHSA-N 2 1 244.404 0.927 10 0 BCAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)OC)C1 ZINC000082419901 368684733 /nfs/dbraw/zinc/68/47/33/368684733.db2.gz IATIHBVQQNUZMO-VIFPVBQESA-N 2 1 200.282 0.091 10 0 BCAEMP C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000631840874 369311989 /nfs/dbraw/zinc/31/19/89/369311989.db2.gz VSCOAATYTSFOGK-AGIUHOORSA-N 2 1 242.363 0.709 10 0 BCAEMP 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241.379 0.962 10 0 BCAEMP CCC[N@@H+](CC[C@H]([NH2+]CC)C(N)=O)CC1CC1 ZINC000062460049 169170712 /nfs/dbraw/zinc/17/07/12/169170712.db2.gz GFVBVSCXCSYHMC-LBPRGKRZSA-N 2 1 241.379 0.962 10 0 BCAEMP CCC[NH2+]C1(CO)C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000038123301 169255029 /nfs/dbraw/zinc/25/50/29/169255029.db2.gz MFQDXLWDSFTVAD-FOSCPWQOSA-N 2 1 212.337 0.974 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000236910637 169388400 /nfs/dbraw/zinc/38/84/00/169388400.db2.gz SDNZCQQHRMPHDH-NWDGAFQWSA-N 2 1 241.379 0.914 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484917 169388752 /nfs/dbraw/zinc/38/87/52/169388752.db2.gz HGNHTVFUUXBXAE-VHSXEESVSA-N 2 1 213.325 0.182 10 0 BCAEMP CC[NH2+][C@@]1(C(N)=O)CC[N@@H+]2CCC[C@@H]2C1 ZINC000156464011 383840095 /nfs/dbraw/zinc/84/00/95/383840095.db2.gz MSDRSACYXBPLIX-KOLCDFICSA-N 2 1 211.309 0.078 10 0 BCAEMP CC[NH2+][C@@]1(C(N)=O)CC[N@H+]2CCC[C@@H]2C1 ZINC000156464011 383840097 /nfs/dbraw/zinc/84/00/97/383840097.db2.gz MSDRSACYXBPLIX-KOLCDFICSA-N 2 1 211.309 0.078 10 0 BCAEMP Cc1c[nH]nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647512639 384411601 /nfs/dbraw/zinc/41/16/01/384411601.db2.gz NYHGOZNMGGKHKD-DCAQKATOSA-N 2 1 220.320 0.887 10 0 BCAEMP Cc1c[nH]nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000647512639 384411602 /nfs/dbraw/zinc/41/16/02/384411602.db2.gz NYHGOZNMGGKHKD-DCAQKATOSA-N 2 1 220.320 0.887 10 0 BCAEMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CCC[NH3+] ZINC000086930188 384720222 /nfs/dbraw/zinc/72/02/22/384720222.db2.gz AOFOYTMAOFSNAJ-NWDGAFQWSA-N 2 1 211.353 0.894 10 0 BCAEMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000310022747 384789966 /nfs/dbraw/zinc/78/99/66/384789966.db2.gz OCYHWLIGXGHNCT-IUCAKERBSA-N 2 1 222.292 0.051 10 0 BCAEMP Cn1c[nH+]cc1CCCn1cc(C(C)(C)[NH3+])nn1 ZINC000314824209 384807392 /nfs/dbraw/zinc/80/73/92/384807392.db2.gz YTVDNQFBGQSSBV-UHFFFAOYSA-N 2 1 248.334 0.838 10 0 BCAEMP C[N@H+]1CCC[C@@H](CCN[C@@H]2CC[NH2+]C2)C1 ZINC000259210535 384958904 /nfs/dbraw/zinc/95/89/04/384958904.db2.gz XCZVWPZVKJMBHF-NWDGAFQWSA-N 2 1 211.353 0.670 10 0 BCAEMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000259210535 384958911 /nfs/dbraw/zinc/95/89/11/384958911.db2.gz XCZVWPZVKJMBHF-NWDGAFQWSA-N 3 1 211.353 0.670 10 0 BCAEMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000259210535 384958918 /nfs/dbraw/zinc/95/89/18/384958918.db2.gz XCZVWPZVKJMBHF-NWDGAFQWSA-N 3 1 211.353 0.670 10 0 BCAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCOC1)C2 ZINC000308985547 385325987 /nfs/dbraw/zinc/32/59/87/385325987.db2.gz JNLXZHVXHJFXKC-UWVGGRQHSA-N 2 1 207.277 0.576 10 0 BCAEMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000336677014 385605994 /nfs/dbraw/zinc/60/59/94/385605994.db2.gz CIVDZQZSSWLOHO-DRZSPHRISA-N 2 1 242.363 0.599 10 0 BCAEMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000336677014 385605997 /nfs/dbraw/zinc/60/59/97/385605997.db2.gz CIVDZQZSSWLOHO-DRZSPHRISA-N 2 1 242.363 0.599 10 0 BCAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000076648392 385689442 /nfs/dbraw/zinc/68/94/42/385689442.db2.gz VMMZFPZMISQAMO-CHWSQXEVSA-N 2 1 220.316 0.828 10 0 BCAEMP Cn1nccc1CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310403586 386178872 /nfs/dbraw/zinc/17/88/72/386178872.db2.gz LELRWTNDILWMMS-WCFLWFBJSA-N 2 1 234.347 0.632 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130927312 386188485 /nfs/dbraw/zinc/18/84/85/386188485.db2.gz OQFVVOWRINPWNE-AXFHLTTASA-N 2 1 226.320 0.609 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000310546563 386201031 /nfs/dbraw/zinc/20/10/31/386201031.db2.gz SLSDNODKTGOJQV-OLZOCXBDSA-N 2 1 243.395 0.323 10 0 BCAEMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000059931408 386464021 /nfs/dbraw/zinc/46/40/21/386464021.db2.gz RYQYUAPOYWYKQE-JTQLQIEISA-N 2 1 225.336 0.196 10 0 BCAEMP COCC[NH2+]CCNc1cc[nH+]c(N(C)C)n1 ZINC000215526055 386606071 /nfs/dbraw/zinc/60/60/71/386606071.db2.gz MAONRFVUSBSLKK-UHFFFAOYSA-N 2 1 239.323 0.191 10 0 BCAEMP [NH3+][C@H]1CCO[C@H]1C[NH+]1CCSCC1 ZINC000575450358 386786515 /nfs/dbraw/zinc/78/65/15/386786515.db2.gz LFWIJAATZBPZBA-IUCAKERBSA-N 2 1 202.323 0.151 10 0 BCAEMP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000440964808 387719358 /nfs/dbraw/zinc/71/93/58/387719358.db2.gz RRBVOLWVDRIZDJ-SRVKXCTJSA-N 2 1 239.363 0.727 10 0 BCAEMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422985756 387795292 /nfs/dbraw/zinc/79/52/92/387795292.db2.gz ADZODCRGVYMLLE-WYUUTHIRSA-N 2 1 211.353 0.654 10 0 BCAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422985756 387795297 /nfs/dbraw/zinc/79/52/97/387795297.db2.gz ADZODCRGVYMLLE-WYUUTHIRSA-N 2 1 211.353 0.654 10 0 BCAEMP CCC[N@H+]1CC[C@@H](CN[C@@H]2CC[NH2+]C2)C1 ZINC000422972047 387821466 /nfs/dbraw/zinc/82/14/66/387821466.db2.gz KKRFFTQLSBQQPK-NWDGAFQWSA-N 2 1 211.353 0.670 10 0 BCAEMP O=C(C[NH2+]C[C@@H]1CCC[NH2+]C1)NCC1CC1 ZINC000393192975 387864158 /nfs/dbraw/zinc/86/41/58/387864158.db2.gz AIOBEDKFAXHWCW-LLVKDONJSA-N 2 1 225.336 0.102 10 0 BCAEMP C1=CC[N@H+](CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000392243163 387945846 /nfs/dbraw/zinc/94/58/46/387945846.db2.gz MTPXHTOYSKYXPS-ZDUSSCGKSA-N 2 1 223.364 0.980 10 0 BCAEMP C1=CC[N@@H+](CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000392243163 387945850 /nfs/dbraw/zinc/94/58/50/387945850.db2.gz MTPXHTOYSKYXPS-ZDUSSCGKSA-N 2 1 223.364 0.980 10 0 BCAEMP CN(C)c1nc(NC[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000085432096 388088649 /nfs/dbraw/zinc/08/86/49/388088649.db2.gz UMUPFLMAUICRSK-SNVBAGLBSA-N 2 1 235.335 0.954 10 0 BCAEMP C[C@@H](NCC[N@H+]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000400464281 533393303 /nfs/dbraw/zinc/39/33/03/533393303.db2.gz SLRYDIYLQXXCGW-OLZOCXBDSA-N 2 1 223.364 0.836 10 0 BCAEMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000400464281 533393305 /nfs/dbraw/zinc/39/33/05/533393305.db2.gz SLRYDIYLQXXCGW-OLZOCXBDSA-N 2 1 223.364 0.836 10 0 BCAEMP Cc1cc[nH+]c(N2CCO[C@H](C[NH3+])C2)c1 ZINC000043561308 132225017 /nfs/dbraw/zinc/22/50/17/132225017.db2.gz UUCYYLDNDDFUTR-SNVBAGLBSA-N 2 1 207.277 0.554 10 0 BCAEMP Cc1nc2cccc(N3CC[NH2+]CC3)c2c(N)[nH+]1 ZINC000019408009 132324710 /nfs/dbraw/zinc/32/47/10/132324710.db2.gz KOORIJVFWYOLJW-UHFFFAOYSA-N 2 1 243.314 0.930 10 0 BCAEMP C[N@@H+]1CCN(c2ccccc2)[C@@H](C2=[NH+]CCN2)C1 ZINC000029392092 132334287 /nfs/dbraw/zinc/33/42/87/132334287.db2.gz VVASLRLWCLWNCC-CYBMUJFWSA-N 2 1 244.342 0.809 10 0 BCAEMP C[N@H+]1CCN(c2ccccc2)[C@@H](C2=[NH+]CCN2)C1 ZINC000029392092 132334289 /nfs/dbraw/zinc/33/42/89/132334289.db2.gz VVASLRLWCLWNCC-CYBMUJFWSA-N 2 1 244.342 0.809 10 0 BCAEMP CCc1nc(N2CC[NH+](C)CC2)cc(NN)[nH+]1 ZINC000039640848 132346962 /nfs/dbraw/zinc/34/69/62/132346962.db2.gz ZKVAILCXQLNFIJ-UHFFFAOYSA-N 2 1 236.323 0.076 10 0 BCAEMP Cc1cc(N2CCO[C@H](C[NH3+])C2)nc(C)[nH+]1 ZINC000041059046 132349491 /nfs/dbraw/zinc/34/94/91/132349491.db2.gz ALUBNBVWDKVEBA-SNVBAGLBSA-N 2 1 222.292 0.257 10 0 BCAEMP CN(C)c1nc(N2CCCC[C@H]2C[NH3+])cc[nH+]1 ZINC000068690141 132364789 /nfs/dbraw/zinc/36/47/89/132364789.db2.gz MLHTZGQHXFSEPC-JTQLQIEISA-N 2 1 235.335 0.860 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)CC[N@@H+]1C ZINC000180597633 134330167 /nfs/dbraw/zinc/33/01/67/134330167.db2.gz JRCBSDAJKHSHOV-GRYCIOLGSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)CC[N@H+]1C ZINC000180597633 134330168 /nfs/dbraw/zinc/33/01/68/134330168.db2.gz JRCBSDAJKHSHOV-GRYCIOLGSA-N 2 1 249.362 0.665 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])CC[N@H+]1C ZINC000252175893 135085441 /nfs/dbraw/zinc/08/54/41/135085441.db2.gz RZJIMMLDNPRCAC-WISYIIOYSA-N 2 1 239.363 0.713 10 0 BCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261545721 135150543 /nfs/dbraw/zinc/15/05/43/135150543.db2.gz KFDXJIKIGBWLPL-GRYCIOLGSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1CO ZINC000261531165 135160405 /nfs/dbraw/zinc/16/04/05/135160405.db2.gz FLNGXDWUDTUUPW-GRYCIOLGSA-N 2 1 212.337 0.689 10 0 BCAEMP OCC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261531681 135160595 /nfs/dbraw/zinc/16/05/95/135160595.db2.gz HMANIGICZFCQKF-RYUDHWBXSA-N 2 1 212.337 0.833 10 0 BCAEMP C[N@H+]1CCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000261531729 135161268 /nfs/dbraw/zinc/16/12/68/135161268.db2.gz HRQUJGYUTHUERE-NWDGAFQWSA-N 2 1 211.353 0.812 10 0 BCAEMP CN1CCC[C@@H]1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000261531729 135161271 /nfs/dbraw/zinc/16/12/71/135161271.db2.gz HRQUJGYUTHUERE-NWDGAFQWSA-N 2 1 211.353 0.812 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]12 ZINC000261532008 135162131 /nfs/dbraw/zinc/16/21/31/135162131.db2.gz ISNXHPUIOQQBPL-DDHJBXDOSA-N 2 1 210.321 0.692 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261537992 135175623 /nfs/dbraw/zinc/17/56/23/135175623.db2.gz WZWMVDJHMPTEFK-IVZWLZJFSA-N 2 1 212.293 0.219 10 0 BCAEMP Cc1ncc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000261541090 135180740 /nfs/dbraw/zinc/18/07/40/135180740.db2.gz FMXXRPQWRSGNHC-PSASIEDQSA-N 2 1 227.333 0.121 10 0 BCAEMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261543610 135184459 /nfs/dbraw/zinc/18/44/59/135184459.db2.gz DBXUXCPKPZNTFR-TUAOUCFPSA-N 2 1 239.363 0.428 10 0 BCAEMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261543610 135184461 /nfs/dbraw/zinc/18/44/61/135184461.db2.gz DBXUXCPKPZNTFR-TUAOUCFPSA-N 2 1 239.363 0.428 10 0 BCAEMP C[NH+](C)[C@@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261544479 135185272 /nfs/dbraw/zinc/18/52/72/135185272.db2.gz YQSLIPGXGYQMGC-SECBINFHSA-N 2 1 239.323 0.054 10 0 BCAEMP C[C@H]1C[N@H+](C)CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261551257 135190405 /nfs/dbraw/zinc/19/04/05/135190405.db2.gz LXWDYMKWDRRRIU-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261551257 135190406 /nfs/dbraw/zinc/19/04/06/135190406.db2.gz LXWDYMKWDRRRIU-RYUDHWBXSA-N 2 1 239.363 0.681 10 0 BCAEMP CN(C)c1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc[nH+]1 ZINC000261553770 135192730 /nfs/dbraw/zinc/19/27/30/135192730.db2.gz ANURYRXIUKRAGK-AXFHLTTASA-N 2 1 247.346 0.716 10 0 BCAEMP C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261557540 135197986 /nfs/dbraw/zinc/19/79/86/135197986.db2.gz XJFXXGJMZSPKPE-GRYCIOLGSA-N 2 1 212.337 0.689 10 0 BCAEMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000261560436 135201208 /nfs/dbraw/zinc/20/12/08/135201208.db2.gz UPNKZIAZFPXTTD-QWRGUYRKSA-N 2 1 236.319 0.435 10 0 BCAEMP Cn1cc([C@@H]2CCC[N@H+]2CCOCC[NH3+])cn1 ZINC000261563381 135205461 /nfs/dbraw/zinc/20/54/61/135205461.db2.gz XAAYUNXLJDOEDO-LBPRGKRZSA-N 2 1 238.335 0.532 10 0 BCAEMP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564559 135206777 /nfs/dbraw/zinc/20/67/77/135206777.db2.gz XSUMMJXTPNYYSM-AXFHLTTASA-N 2 1 239.363 0.570 10 0 BCAEMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261564559 135206778 /nfs/dbraw/zinc/20/67/78/135206778.db2.gz XSUMMJXTPNYYSM-AXFHLTTASA-N 2 1 239.363 0.570 10 0 BCAEMP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564562 135206836 /nfs/dbraw/zinc/20/68/36/135206836.db2.gz XSUMMJXTPNYYSM-DCAQKATOSA-N 2 1 239.363 0.570 10 0 BCAEMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261564562 135206837 /nfs/dbraw/zinc/20/68/37/135206837.db2.gz XSUMMJXTPNYYSM-DCAQKATOSA-N 2 1 239.363 0.570 10 0 BCAEMP Cc1cnn(CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261565837 135208154 /nfs/dbraw/zinc/20/81/54/135208154.db2.gz YORJQCWYAQUCTK-RWMBFGLXSA-N 2 1 234.347 0.861 10 0 BCAEMP CCOCC[N@H+]1CCN(CC[NH3+])C[C@@H]1CC ZINC000261583572 135224510 /nfs/dbraw/zinc/22/45/10/135224510.db2.gz PEBNJEBCJCMMMX-LBPRGKRZSA-N 2 1 229.368 0.378 10 0 BCAEMP Cn1cncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261585182 135225777 /nfs/dbraw/zinc/22/57/77/135225777.db2.gz QHWOPCPFAKIOGV-WCQGTBRESA-N 2 1 220.320 0.589 10 0 BCAEMP Cn1cncc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261585180 135225972 /nfs/dbraw/zinc/22/59/72/135225972.db2.gz QHWOPCPFAKIOGV-DLOVCJGASA-N 2 1 220.320 0.589 10 0 BCAEMP COCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261594817 135234997 /nfs/dbraw/zinc/23/49/97/135234997.db2.gz XSOBZODVRJDYHX-TUAOUCFPSA-N 2 1 228.336 0.319 10 0 BCAEMP COCCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261594803 135235335 /nfs/dbraw/zinc/23/53/35/135235335.db2.gz XSOBZODVRJDYHX-SDDRHHMPSA-N 2 1 228.336 0.319 10 0 BCAEMP COCCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261594809 135235402 /nfs/dbraw/zinc/23/54/02/135235402.db2.gz XSOBZODVRJDYHX-SRVKXCTJSA-N 2 1 228.336 0.319 10 0 BCAEMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000261638357 135242201 /nfs/dbraw/zinc/24/22/01/135242201.db2.gz DBBFOCAQQUYQBK-IJLUTSLNSA-N 2 1 240.347 0.869 10 0 BCAEMP C[C@]1(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000261712951 135247715 /nfs/dbraw/zinc/24/77/15/135247715.db2.gz DWLFDSKMNVTPJT-LOWDOPEQSA-N 2 1 224.348 0.689 10 0 BCAEMP C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000261745926 135248914 /nfs/dbraw/zinc/24/89/14/135248914.db2.gz MWGWVEBJJCJNAI-LBPRGKRZSA-N 2 1 249.358 0.843 10 0 BCAEMP C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000261745926 135248915 /nfs/dbraw/zinc/24/89/15/135248915.db2.gz MWGWVEBJJCJNAI-LBPRGKRZSA-N 2 1 249.358 0.843 10 0 BCAEMP c1nnc([C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000261766549 135251704 /nfs/dbraw/zinc/25/17/04/135251704.db2.gz DISXVAWYHSARCX-VXGBXAGGSA-N 2 1 249.362 0.984 10 0 BCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000261766355 135251722 /nfs/dbraw/zinc/25/17/22/135251722.db2.gz OVMHZTOHPUXGLB-WDEREUQCSA-N 2 1 227.352 0.585 10 0 BCAEMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000261766353 135251800 /nfs/dbraw/zinc/25/18/00/135251800.db2.gz OVMHZTOHPUXGLB-QWRGUYRKSA-N 2 1 227.352 0.585 10 0 BCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261849811 135256862 /nfs/dbraw/zinc/25/68/62/135256862.db2.gz QHERNBPLKYSCDZ-VXGBXAGGSA-N 2 1 241.379 0.914 10 0 BCAEMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261849809 135256956 /nfs/dbraw/zinc/25/69/56/135256956.db2.gz QHERNBPLKYSCDZ-NWDGAFQWSA-N 2 1 241.379 0.914 10 0 BCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261870516 135259396 /nfs/dbraw/zinc/25/93/96/135259396.db2.gz QMSRYGQUVCEDNV-VXGBXAGGSA-N 2 1 241.379 0.960 10 0 BCAEMP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000261910611 135261407 /nfs/dbraw/zinc/26/14/07/135261407.db2.gz ZQUCWXUIMRVGMZ-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCNC1=O ZINC000261910611 135261408 /nfs/dbraw/zinc/26/14/08/135261408.db2.gz ZQUCWXUIMRVGMZ-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000261910609 135261667 /nfs/dbraw/zinc/26/16/67/135261667.db2.gz ZQUCWXUIMRVGMZ-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCNC1=O ZINC000261910609 135261668 /nfs/dbraw/zinc/26/16/68/135261668.db2.gz ZQUCWXUIMRVGMZ-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000261926503 135263337 /nfs/dbraw/zinc/26/33/37/135263337.db2.gz ZNEJQISGOHXJMT-GHMZBOCLSA-N 2 1 239.363 0.857 10 0 BCAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000261948633 135265450 /nfs/dbraw/zinc/26/54/50/135265450.db2.gz NPXQPWDPPJFLKZ-UTUOFQBUSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](C(N)=O)C1 ZINC000261948633 135265452 /nfs/dbraw/zinc/26/54/52/135265452.db2.gz NPXQPWDPPJFLKZ-UTUOFQBUSA-N 2 1 239.363 0.572 10 0 BCAEMP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262113492 135279517 /nfs/dbraw/zinc/27/95/17/135279517.db2.gz KUOWPKMVNUYTBB-OCCSQVGLSA-N 2 1 249.358 0.423 10 0 BCAEMP CCc1ncc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262150120 135282194 /nfs/dbraw/zinc/28/21/94/135282194.db2.gz RCEGXEFEDJKGNN-WPRPVWTQSA-N 2 1 241.360 0.375 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262261264 135288406 /nfs/dbraw/zinc/28/84/06/135288406.db2.gz RHEILMKVYQLWIW-GFCCVEGCSA-N 2 1 239.363 0.811 10 0 BCAEMP c1nnc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)[nH]1 ZINC000262313019 135292220 /nfs/dbraw/zinc/29/22/20/135292220.db2.gz ZGPDJRVEYWXUIF-GFCCVEGCSA-N 2 1 249.362 0.984 10 0 BCAEMP Cc1ccc(F)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263229876 135340786 /nfs/dbraw/zinc/34/07/86/135340786.db2.gz NIALJYMRLHUUAO-WCQYABFASA-N 2 1 238.306 0.804 10 0 BCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000263242351 135341527 /nfs/dbraw/zinc/34/15/27/135341527.db2.gz OTRXARVXCOVGFO-SZBGIYDQSA-N 2 1 232.327 0.870 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000263242348 135341780 /nfs/dbraw/zinc/34/17/80/135341780.db2.gz OTRXARVXCOVGFO-HMJDLUCASA-N 2 1 232.327 0.870 10 0 BCAEMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000263236822 135341836 /nfs/dbraw/zinc/34/18/36/135341836.db2.gz BSTOAUPPVGYIAG-GXSJLCMTSA-N 2 1 225.336 0.004 10 0 BCAEMP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263264771 135343751 /nfs/dbraw/zinc/34/37/51/135343751.db2.gz RLSQGYGAEXOEHJ-AAEUAGOBSA-N 2 1 238.306 0.804 10 0 BCAEMP Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263313362 135345663 /nfs/dbraw/zinc/34/56/63/135345663.db2.gz ZCBPDCJGIXVBRR-YPMHNXCESA-N 2 1 238.306 0.804 10 0 BCAEMP Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263313359 135345987 /nfs/dbraw/zinc/34/59/87/135345987.db2.gz ZCBPDCJGIXVBRR-DGCLKSJQSA-N 2 1 238.306 0.804 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000263315479 135346189 /nfs/dbraw/zinc/34/61/89/135346189.db2.gz ZJIMBJDLRBYXNE-JOYOIKCWSA-N 2 1 242.269 0.635 10 0 BCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCO)CC1 ZINC000105915452 397786554 /nfs/dbraw/zinc/78/65/54/397786554.db2.gz LGULEYBGLFWWTB-GFCCVEGCSA-N 2 1 244.379 0.393 10 0 BCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000245881176 167032566 /nfs/dbraw/zinc/03/25/66/167032566.db2.gz BEFMHXYZRJHHET-GUBZILKMSA-N 2 1 213.325 0.179 10 0 BCAEMP C([C@@H]1CC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000086929901 487588409 /nfs/dbraw/zinc/58/84/09/487588409.db2.gz KMLKOMKZALRYPL-OLZOCXBDSA-N 2 1 223.364 0.766 10 0 BCAEMP COC[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)OC ZINC000662267098 409569136 /nfs/dbraw/zinc/56/91/36/409569136.db2.gz SBHIAULEBZEABD-BJDJZHNGSA-N 2 1 228.336 0.317 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000662418770 409707281 /nfs/dbraw/zinc/70/72/81/409707281.db2.gz TZHRZIBVHOHCBQ-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000662418770 409707290 /nfs/dbraw/zinc/70/72/90/409707290.db2.gz TZHRZIBVHOHCBQ-VXGBXAGGSA-N 2 1 239.363 0.681 10 0 BCAEMP C([C@H]1CC[NH2+]C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000227459369 487615090 /nfs/dbraw/zinc/61/50/90/487615090.db2.gz LZUOTGORXFQLBB-NWDGAFQWSA-N 2 1 209.337 0.376 10 0 BCAEMP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000128985060 410364945 /nfs/dbraw/zinc/36/49/45/410364945.db2.gz XOCJEJYRMVIMEB-MNOVXSKESA-N 2 1 227.352 0.570 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CC1 ZINC000129050599 410368280 /nfs/dbraw/zinc/36/82/80/410368280.db2.gz ABZDRRWCVJAMCM-LLVKDONJSA-N 2 1 227.352 0.570 10 0 BCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH3+])C1 ZINC000245881970 167029100 /nfs/dbraw/zinc/02/91/00/167029100.db2.gz BEFMHXYZRJHHET-UTLUCORTSA-N 2 1 213.325 0.179 10 0 BCAEMP CC(C)[NH2+]CCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438667 167101746 /nfs/dbraw/zinc/10/17/46/167101746.db2.gz IPSADXPWYSSIII-RYUDHWBXSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)[NH2+]CCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438669 167102549 /nfs/dbraw/zinc/10/25/49/167102549.db2.gz IPSADXPWYSSIII-NWDGAFQWSA-N 2 1 241.379 0.960 10 0 BCAEMP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000053031488 167113064 /nfs/dbraw/zinc/11/30/64/167113064.db2.gz PANZLOHOYZUNMP-QWHCGFSZSA-N 2 1 242.363 0.722 10 0 BCAEMP Nc1cc([C@@H]2CCN(CC[NH3+])C2)cc[nH+]1 ZINC000616611355 411287575 /nfs/dbraw/zinc/28/75/75/411287575.db2.gz CVAIBSTYNFCABZ-SNVBAGLBSA-N 2 1 206.293 0.412 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000401741759 411310693 /nfs/dbraw/zinc/31/06/93/411310693.db2.gz HIEIVJJGHRHCDO-HBNTYKKESA-N 2 1 214.353 0.981 10 0 BCAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116603 411348509 /nfs/dbraw/zinc/34/85/09/411348509.db2.gz KRVCTLAAKNPCHP-WDEREUQCSA-N 2 1 225.336 0.054 10 0 BCAEMP CC1CCC([N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000042487599 168157900 /nfs/dbraw/zinc/15/79/00/168157900.db2.gz JHLRLNDMDIUSLX-ILDUYXDCSA-N 2 1 200.326 0.817 10 0 BCAEMP CC1CCC([N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000042487598 168159996 /nfs/dbraw/zinc/15/99/96/168159996.db2.gz JHLRLNDMDIUSLX-VQXHTEKXSA-N 2 1 200.326 0.817 10 0 BCAEMP CCC(=O)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037037939 168216953 /nfs/dbraw/zinc/21/69/53/168216953.db2.gz BQDQNQBJJXOTJH-UHFFFAOYSA-N 2 1 213.325 0.280 10 0 BCAEMP CCC(=O)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037037939 168216954 /nfs/dbraw/zinc/21/69/54/168216954.db2.gz BQDQNQBJJXOTJH-UHFFFAOYSA-N 2 1 213.325 0.280 10 0 BCAEMP CC[N@H+]1CC[C@@H](CN2CCC[NH2+]CC2)C1 ZINC000049660625 170006373 /nfs/dbraw/zinc/00/63/73/170006373.db2.gz VVVFVWHGSHCDAM-GFCCVEGCSA-N 2 1 211.353 0.624 10 0 BCAEMP CCNC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000051761638 170052462 /nfs/dbraw/zinc/05/24/62/170052462.db2.gz IHBGTJLQZASCEA-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000036780317 170066193 /nfs/dbraw/zinc/06/61/93/170066193.db2.gz WRHHPGNSXYPULV-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC)C1 ZINC000036780317 170066194 /nfs/dbraw/zinc/06/61/94/170066194.db2.gz WRHHPGNSXYPULV-NEPJUHHUSA-N 2 1 241.379 0.833 10 0 BCAEMP CCNC(=O)N1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000037039343 170073532 /nfs/dbraw/zinc/07/35/32/170073532.db2.gz BLTBZUKJWSFTOK-UHFFFAOYSA-N 2 1 242.367 0.463 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000061299513 170106009 /nfs/dbraw/zinc/10/60/09/170106009.db2.gz OPHAABSBCRDJNF-LLVKDONJSA-N 2 1 241.379 0.927 10 0 BCAEMP CC[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061299229 170107271 /nfs/dbraw/zinc/10/72/71/170107271.db2.gz AMYAEPHNPLJLGY-SNVBAGLBSA-N 2 1 239.363 0.727 10 0 BCAEMP CC[NH2+]C[C@@]1(C[N@@H+](C)CCCOC)CCOC1 ZINC000062035330 170121016 /nfs/dbraw/zinc/12/10/16/170121016.db2.gz CSKTZKOOPYNBHJ-CYBMUJFWSA-N 2 1 244.379 0.971 10 0 BCAEMP CC[NH2+]C[C@H](C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000061228634 170121599 /nfs/dbraw/zinc/12/15/99/170121599.db2.gz HYNCDLARPNOCEJ-NSHDSACASA-N 2 1 227.352 0.396 10 0 BCAEMP CC[NH2+][C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189535 170139397 /nfs/dbraw/zinc/13/93/97/170139397.db2.gz HIKGMUSMJYZZND-NWDGAFQWSA-N 2 1 241.379 0.785 10 0 BCAEMP CC[NH2+][C@H](CC[N@@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104356410 170161672 /nfs/dbraw/zinc/16/16/72/170161672.db2.gz SFKSWLSIFLPTTL-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP CC[NH2+][C@H](CC[N@H+]1CCC[C@H](C)CC1)C(N)=O ZINC000104356410 170161673 /nfs/dbraw/zinc/16/16/73/170161673.db2.gz SFKSWLSIFLPTTL-NWDGAFQWSA-N 2 1 241.379 0.962 10 0 BCAEMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257006 412050852 /nfs/dbraw/zinc/05/08/52/412050852.db2.gz LIWAQYUNHKWAJY-WDEREUQCSA-N 2 1 242.388 0.945 10 0 BCAEMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000104138674 171066697 /nfs/dbraw/zinc/06/66/97/171066697.db2.gz SXFAWMHLQNHBCI-GHMZBOCLSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1C ZINC000104138674 171066700 /nfs/dbraw/zinc/06/67/00/171066700.db2.gz SXFAWMHLQNHBCI-GHMZBOCLSA-N 2 1 241.379 0.912 10 0 BCAEMP CC[C@@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)CCN1C ZINC000104144238 171078340 /nfs/dbraw/zinc/07/83/40/171078340.db2.gz LUVXWPGAPGAALA-GFCCVEGCSA-N 2 1 241.379 0.127 10 0 BCAEMP CC[C@@](C(N)=O)(C(C)C)[N@@H+]1CCCNCC1 ZINC000037943732 171162578 /nfs/dbraw/zinc/16/25/78/171162578.db2.gz GTMLFBNLQXHGDM-LBPRGKRZSA-N 2 1 227.352 0.572 10 0 BCAEMP CC[C@@](C(N)=O)(C(C)C)[N@H+]1CCCNCC1 ZINC000037943732 171162580 /nfs/dbraw/zinc/16/25/80/171162580.db2.gz GTMLFBNLQXHGDM-LBPRGKRZSA-N 2 1 227.352 0.572 10 0 BCAEMP CC[C@@](C(N)=O)(C(C)C)[N@@H+]1CCC[NH2+]CC1 ZINC000037943732 171162583 /nfs/dbraw/zinc/16/25/83/171162583.db2.gz GTMLFBNLQXHGDM-LBPRGKRZSA-N 2 1 227.352 0.572 10 0 BCAEMP CC[C@@](C(N)=O)(C(C)C)[N@H+]1CCC[NH2+]CC1 ZINC000037943732 171162584 /nfs/dbraw/zinc/16/25/84/171162584.db2.gz GTMLFBNLQXHGDM-LBPRGKRZSA-N 2 1 227.352 0.572 10 0 BCAEMP CC[C@H](C)[N@@H+](CCOC)CCN1CC[NH2+]CC1 ZINC000042593156 171316115 /nfs/dbraw/zinc/31/61/15/171316115.db2.gz STYQDAZYFJJGAW-ZDUSSCGKSA-N 2 1 243.395 0.639 10 0 BCAEMP CC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000055077683 171319544 /nfs/dbraw/zinc/31/95/44/171319544.db2.gz KPRGRBCOGMOIRE-JTQLQIEISA-N 2 1 227.352 0.666 10 0 BCAEMP CN(C)c1nc(N[C@@H]2CC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000382408880 412200257 /nfs/dbraw/zinc/20/02/57/412200257.db2.gz CNSBVZUKQDLONI-VHSXEESVSA-N 2 1 235.335 1.082 10 0 BCAEMP Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000132992922 412385049 /nfs/dbraw/zinc/38/50/49/412385049.db2.gz KKINFMHLDANQFY-MWLCHTKSSA-N 2 1 236.319 0.646 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116604 173005206 /nfs/dbraw/zinc/00/52/06/173005206.db2.gz ITWVYLAYQVFOCB-GHMZBOCLSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000044560783 173005389 /nfs/dbraw/zinc/00/53/89/173005389.db2.gz KCQSVVHSCMRDNI-VXGBXAGGSA-N 2 1 211.353 0.812 10 0 BCAEMP C[N@H+]1CCCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000037623369 173011871 /nfs/dbraw/zinc/01/18/71/173011871.db2.gz FPXFLAUBSJNBBY-UHFFFAOYSA-N 2 1 239.363 0.683 10 0 BCAEMP C[N@H+]1CCCN(C(=O)c2ccc(C[NH3+])cn2)CC1 ZINC000104225946 173013818 /nfs/dbraw/zinc/01/38/18/173013818.db2.gz DDCABIFKCDTZNL-UHFFFAOYSA-N 2 1 248.330 0.318 10 0 BCAEMP C[N@H+]1CCCN(CC2([NH3+])CCCC2)CC1 ZINC000037479592 173015159 /nfs/dbraw/zinc/01/51/59/173015159.db2.gz GHGPZDLLVJTKHP-UHFFFAOYSA-N 2 1 211.353 0.895 10 0 BCAEMP C[N@H+]1CCCN([C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000041051537 173017097 /nfs/dbraw/zinc/01/70/97/173017097.db2.gz ICTCQHJSNRYJIL-NSHDSACASA-N 2 1 213.369 0.997 10 0 BCAEMP CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](C)C1 ZINC000062116886 173044021 /nfs/dbraw/zinc/04/40/21/173044021.db2.gz OLMLXSFUTAPVFR-MNOVXSKESA-N 2 1 225.336 0.149 10 0 BCAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000226083199 173056512 /nfs/dbraw/zinc/05/65/12/173056512.db2.gz DCNSTDOTIQHMRO-QWRGUYRKSA-N 2 1 225.336 0.196 10 0 BCAEMP C[NH+]1CCN(C(=O)Cc2ccc(C[NH3+])cc2)CC1 ZINC000104110591 173067240 /nfs/dbraw/zinc/06/72/40/173067240.db2.gz YTZDXWQIDLJVAS-UHFFFAOYSA-N 2 1 247.342 0.462 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290450 173067312 /nfs/dbraw/zinc/06/73/12/173067312.db2.gz ZSHYBHJXNCEKBY-LLVKDONJSA-N 2 1 225.336 0.150 10 0 BCAEMP CN1CC[NH+](CCOc2cccc(C[NH3+])c2)CC1 ZINC000031977853 173083316 /nfs/dbraw/zinc/08/33/16/173083316.db2.gz IWWHERVALLLMAM-UHFFFAOYSA-N 2 1 249.358 0.772 10 0 BCAEMP C[NH+]1CCN(C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000058081571 173085136 /nfs/dbraw/zinc/08/51/36/173085136.db2.gz OECPXPZWNJEOIV-RYUDHWBXSA-N 2 1 211.353 0.751 10 0 BCAEMP C[NH+]1CCN(Cc2occc2C[NH3+])CC1 ZINC000052379347 173091445 /nfs/dbraw/zinc/09/14/45/173091445.db2.gz PUQFJPNIWMMLHU-UHFFFAOYSA-N 2 1 209.293 0.486 10 0 BCAEMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000044528713 173110540 /nfs/dbraw/zinc/11/05/40/173110540.db2.gz LUZHZUPIWKVPOU-GHMZBOCLSA-N 2 1 225.336 0.135 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)c1ncccc1C[NH3+] ZINC000071187551 173112361 /nfs/dbraw/zinc/11/23/61/173112361.db2.gz PONYJVZHTCTTRK-LLVKDONJSA-N 2 1 234.347 0.928 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)[C@@H](C[NH3+])c1cccnc1 ZINC000071188107 173113716 /nfs/dbraw/zinc/11/37/16/173113716.db2.gz QJDWHBYCBDWLPQ-OCCSQVGLSA-N 2 1 248.374 0.965 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000037484881 173116395 /nfs/dbraw/zinc/11/63/95/173116395.db2.gz HZJSTJIAPRHBQX-JTQLQIEISA-N 2 1 225.336 0.054 10 0 BCAEMP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000037484780 173118052 /nfs/dbraw/zinc/11/80/52/173118052.db2.gz JITNHFXJHFBTSX-JTQLQIEISA-N 2 1 208.309 0.461 10 0 BCAEMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000037484780 173118053 /nfs/dbraw/zinc/11/80/53/173118053.db2.gz JITNHFXJHFBTSX-JTQLQIEISA-N 2 1 208.309 0.461 10 0 BCAEMP C[N@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000050951054 173122084 /nfs/dbraw/zinc/12/20/84/173122084.db2.gz ZCJVFGVCXNUUPI-GFCCVEGCSA-N 2 1 239.363 0.587 10 0 BCAEMP CN(Cc1cscn1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990700 173135749 /nfs/dbraw/zinc/13/57/49/173135749.db2.gz ZLLSJQPSYCXJOG-NSHDSACASA-N 2 1 240.376 0.608 10 0 BCAEMP CN(Cc1cscn1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990700 173135751 /nfs/dbraw/zinc/13/57/51/173135751.db2.gz ZLLSJQPSYCXJOG-NSHDSACASA-N 2 1 240.376 0.608 10 0 BCAEMP CN(CC1CCOCC1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000104193704 173136254 /nfs/dbraw/zinc/13/62/54/173136254.db2.gz AYTOMBOJNFEWAV-ZDUSSCGKSA-N 2 1 241.379 0.378 10 0 BCAEMP CN(CC1CCOCC1)[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000104193704 173136255 /nfs/dbraw/zinc/13/62/55/173136255.db2.gz AYTOMBOJNFEWAV-ZDUSSCGKSA-N 2 1 241.379 0.378 10 0 BCAEMP CN(C[C@H]1CC[N@@H+](C)C1)C[C@@H]1CCC[NH2+]C1 ZINC000070822139 173143092 /nfs/dbraw/zinc/14/30/92/173143092.db2.gz YOFKGTRXTLGWHO-OLZOCXBDSA-N 2 1 225.380 0.870 10 0 BCAEMP Cn1nccc1C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000037484827 173146294 /nfs/dbraw/zinc/14/62/94/173146294.db2.gz VRRBMMFTSGLWRJ-SNVBAGLBSA-N 2 1 208.309 0.461 10 0 BCAEMP Cn1nccc1C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037484827 173146295 /nfs/dbraw/zinc/14/62/95/173146295.db2.gz VRRBMMFTSGLWRJ-SNVBAGLBSA-N 2 1 208.309 0.461 10 0 BCAEMP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)C2)cn1 ZINC000037484781 173146332 /nfs/dbraw/zinc/14/63/32/173146332.db2.gz JITNHFXJHFBTSX-SNVBAGLBSA-N 2 1 208.309 0.461 10 0 BCAEMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)cn1 ZINC000037484781 173146333 /nfs/dbraw/zinc/14/63/33/173146333.db2.gz JITNHFXJHFBTSX-SNVBAGLBSA-N 2 1 208.309 0.461 10 0 BCAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCOC(C)(C)C2)C1 ZINC000061990311 173162158 /nfs/dbraw/zinc/16/21/58/173162158.db2.gz SXJMLHRJTMUZEP-GFCCVEGCSA-N 2 1 227.352 0.130 10 0 BCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CCOCC1)C2 ZINC000020524087 173206390 /nfs/dbraw/zinc/20/63/90/173206390.db2.gz FLDZEXGYBCADGQ-FUNVUKJBSA-N 2 1 239.363 0.273 10 0 BCAEMP CNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178297803 173274235 /nfs/dbraw/zinc/27/42/35/173274235.db2.gz FBUKQGNWZNTXKP-LLVKDONJSA-N 2 1 236.319 0.402 10 0 BCAEMP CNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178297803 173274236 /nfs/dbraw/zinc/27/42/36/173274236.db2.gz FBUKQGNWZNTXKP-LLVKDONJSA-N 2 1 236.319 0.402 10 0 BCAEMP CNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042408626 173297938 /nfs/dbraw/zinc/29/79/38/173297938.db2.gz KZAMXOUOYPUNGV-UTUOFQBUSA-N 2 1 239.363 0.714 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061319041 173318507 /nfs/dbraw/zinc/31/85/07/173318507.db2.gz HJLAOIXTWLCNPQ-VIFPVBQESA-N 2 1 225.336 0.337 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000061319008 173318642 /nfs/dbraw/zinc/31/86/42/173318642.db2.gz NAUQYTPRWBJZBW-SNVBAGLBSA-N 2 1 227.352 0.442 10 0 BCAEMP C[NH2+]C1(C[NH+]2CCCC2)CCC(O)CC1 ZINC000039982811 173321509 /nfs/dbraw/zinc/32/15/09/173321509.db2.gz RMIDIDYAYNXTSF-UHFFFAOYSA-N 2 1 212.337 0.975 10 0 BCAEMP C[NH2+]C1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040715848 173323977 /nfs/dbraw/zinc/32/39/77/173323977.db2.gz ZAHDAYSVVLTLDP-GFCCVEGCSA-N 2 1 211.353 0.764 10 0 BCAEMP C[NH2+]CCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000053245652 173339637 /nfs/dbraw/zinc/33/96/37/173339637.db2.gz MMGYVRHNVAKXQH-JTQLQIEISA-N 2 1 213.325 0.149 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000019685160 173364690 /nfs/dbraw/zinc/36/46/90/173364690.db2.gz GUBIEJAOPUWHFA-CYBMUJFWSA-N 2 1 220.316 0.625 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000019685160 173364691 /nfs/dbraw/zinc/36/46/91/173364691.db2.gz GUBIEJAOPUWHFA-CYBMUJFWSA-N 2 1 220.316 0.625 10 0 BCAEMP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[N@@H+](C)C2)C1 ZINC000061991736 173368234 /nfs/dbraw/zinc/36/82/34/173368234.db2.gz QLTNILSNEFBYIC-NWDGAFQWSA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C[C@]1(C[N@@H+](CCO)C(C)C)CCCOC1 ZINC000104314484 173384172 /nfs/dbraw/zinc/38/41/72/173384172.db2.gz ZDOOBLOUBCRCSX-ZDUSSCGKSA-N 2 1 244.379 0.705 10 0 BCAEMP C[NH2+][C@@H]1CCCN(CCn2cc[nH+]c2C)C1 ZINC000053204663 173433729 /nfs/dbraw/zinc/43/37/29/173433729.db2.gz BRQPLTSKIDUDSI-GFCCVEGCSA-N 2 1 222.336 0.875 10 0 BCAEMP COCCC[N@H+]1CCC[NH2+]C[C@H](C)C1 ZINC000049665812 174228019 /nfs/dbraw/zinc/22/80/19/174228019.db2.gz YCRRXVRJDGCVPP-NSHDSACASA-N 2 1 200.326 0.954 10 0 BCAEMP COCCC[N@H+]1CCCN(C[C@H](C)C[NH3+])CC1 ZINC000037753587 174228792 /nfs/dbraw/zinc/22/87/92/174228792.db2.gz SSSNRGYYFBKDMP-CYBMUJFWSA-N 2 1 243.395 0.625 10 0 BCAEMP COCCC[N@H+]1CC[C@@H](CN2CC[NH2+]CC2)C1 ZINC000071550860 174233285 /nfs/dbraw/zinc/23/32/85/174233285.db2.gz WTLUEZHEOZKRJF-CYBMUJFWSA-N 2 1 241.379 0.250 10 0 BCAEMP COCCCNC(=O)C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557072 174239341 /nfs/dbraw/zinc/23/93/41/174239341.db2.gz QUUCMKYAYQSHFX-LLVKDONJSA-N 2 1 245.367 0.069 10 0 BCAEMP COCC[N@H+]([C@@H](C[NH3+])C1CCOCC1)C1CC1 ZINC000052177683 174284469 /nfs/dbraw/zinc/28/44/69/174284469.db2.gz DOUMQGPKFZBWMG-ZDUSSCGKSA-N 2 1 242.363 0.851 10 0 BCAEMP COCC[N@@H+]([C@@H](C[NH3+])C1CCOCC1)C1CC1 ZINC000052177683 174284470 /nfs/dbraw/zinc/28/44/70/174284470.db2.gz DOUMQGPKFZBWMG-ZDUSSCGKSA-N 2 1 242.363 0.851 10 0 BCAEMP COCC[N@@H+](CC(C)C)C[C@H](O)C[NH2+]C(C)C ZINC000042368659 174287525 /nfs/dbraw/zinc/28/75/25/174287525.db2.gz CTYDDLUXKIGGDR-CYBMUJFWSA-N 2 1 246.395 0.950 10 0 BCAEMP COCC[NH+](CCOC)Cc1cc(C[NH3+])co1 ZINC000052571443 174296029 /nfs/dbraw/zinc/29/60/29/174296029.db2.gz XNHDBZZSMGNUCV-UHFFFAOYSA-N 2 1 242.319 0.833 10 0 BCAEMP COCC[NH+](CCOC)C1CC[NH2+]CC1 ZINC000033426856 174296416 /nfs/dbraw/zinc/29/64/16/174296416.db2.gz VYNWLRHEBSDXAK-UHFFFAOYSA-N 2 1 216.325 0.333 10 0 BCAEMP COCC[N@H+]([C@H](C)C1CC1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616219 174302062 /nfs/dbraw/zinc/30/20/62/174302062.db2.gz JOBNJXGSHCYWIS-KGYLQXTDSA-N 2 1 242.363 0.850 10 0 BCAEMP COCC[N@@H+]([C@H](C)C1CC1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000042616219 174302064 /nfs/dbraw/zinc/30/20/64/174302064.db2.gz JOBNJXGSHCYWIS-KGYLQXTDSA-N 2 1 242.363 0.850 10 0 BCAEMP COCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557795 174325841 /nfs/dbraw/zinc/32/58/41/174325841.db2.gz QGQKGMNQCVZDAP-WDEREUQCSA-N 2 1 245.367 0.067 10 0 BCAEMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000225813572 487629548 /nfs/dbraw/zinc/62/95/48/487629548.db2.gz BNLPHFAWFRSSFM-WDEREUQCSA-N 2 1 227.352 0.570 10 0 BCAEMP COc1ccc(CC[NH2+]CC[NH3+])cc1OC ZINC000019732695 175091517 /nfs/dbraw/zinc/09/15/17/175091517.db2.gz LRNQYHQQMIXTAD-UHFFFAOYSA-N 2 1 224.304 0.795 10 0 BCAEMP COc1ccc(C[NH+]2CCN(CC[NH3+])CC2)cc1 ZINC000019933505 175099505 /nfs/dbraw/zinc/09/95/05/175099505.db2.gz UKOMPWCOTXXPBQ-UHFFFAOYSA-N 2 1 249.358 0.772 10 0 BCAEMP C[C@@H]1C(=O)NCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000189271995 176044942 /nfs/dbraw/zinc/04/49/42/176044942.db2.gz WQVYGUZFBZJWHD-NEPJUHHUSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC[NH3+])C1 ZINC000037049858 176096143 /nfs/dbraw/zinc/09/61/43/176096143.db2.gz FXWBDOXODNAARS-GFCCVEGCSA-N 2 1 241.379 0.916 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)CCC[NH2+]1 ZINC000044390364 176172830 /nfs/dbraw/zinc/17/28/30/176172830.db2.gz QFRXDYUHWFBOFI-VXGBXAGGSA-N 2 1 228.336 0.476 10 0 BCAEMP C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C)CC2)C[NH2+]1 ZINC000019505391 176194846 /nfs/dbraw/zinc/19/48/46/176194846.db2.gz NVOARLXWJDARDJ-GHMZBOCLSA-N 2 1 225.336 0.149 10 0 BCAEMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042428219 176196303 /nfs/dbraw/zinc/19/63/03/176196303.db2.gz RGOCRBQYDIONLZ-DDHJBXDOSA-N 2 1 239.363 0.700 10 0 BCAEMP C[C@@H]1CC[C@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000104143253 176219889 /nfs/dbraw/zinc/21/98/89/176219889.db2.gz YWZPLPXYKMXHMN-UTUOFQBUSA-N 2 1 239.363 0.537 10 0 BCAEMP C[C@@H]1CC[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)C[NH2+]1 ZINC000104143253 176219890 /nfs/dbraw/zinc/21/98/90/176219890.db2.gz YWZPLPXYKMXHMN-UTUOFQBUSA-N 2 1 239.363 0.537 10 0 BCAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCN1CCOCC1 ZINC000042427414 176223698 /nfs/dbraw/zinc/22/36/98/176223698.db2.gz DMGYJROMOLJUHY-CHWSQXEVSA-N 2 1 241.379 0.378 10 0 BCAEMP C[C@@H]1C[N@H+](CC2(C[NH3+])CCOCC2)CCO1 ZINC000052180856 176285017 /nfs/dbraw/zinc/28/50/17/176285017.db2.gz DLUDRQDPOBUSJS-LLVKDONJSA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CCOCC2)CCO1 ZINC000052180856 176285019 /nfs/dbraw/zinc/28/50/19/176285019.db2.gz DLUDRQDPOBUSJS-LLVKDONJSA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@@H]1C[N@@H+](C[C@]2(C[NH3+])CCOC2)CCCO1 ZINC000061934209 176302363 /nfs/dbraw/zinc/30/23/63/176302363.db2.gz OJGDZOGWHLLSCA-VXGBXAGGSA-N 2 1 228.336 0.463 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000111269968 176330149 /nfs/dbraw/zinc/33/01/49/176330149.db2.gz PHJOIVQMEGIOAC-ZYHUDNBSSA-N 2 1 237.347 0.149 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000104214739 176330267 /nfs/dbraw/zinc/33/02/67/176330267.db2.gz VZFMXXMHYGGHNN-DDHJBXDOSA-N 2 1 237.347 0.195 10 0 BCAEMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)C(N)=O ZINC000037227246 177074917 /nfs/dbraw/zinc/07/49/17/177074917.db2.gz NALVWLCHIOLOGJ-NEPJUHHUSA-N 2 1 241.379 0.962 10 0 BCAEMP C[C@H]1CCC[N@H+]1CCN1CCC[NH2+]CC1 ZINC000061275058 177109697 /nfs/dbraw/zinc/10/96/97/177109697.db2.gz NNWHZHYLBZBDFX-LBPRGKRZSA-N 2 1 211.353 0.766 10 0 BCAEMP C[C@H]1CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000051793079 177112895 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/nfs/dbraw/zinc/81/47/95/582814795.db2.gz PMODENBLQGCYFC-SNVBAGLBSA-N 2 1 210.281 0.045 10 0 BCAEMP CC(=O)N[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261751283 534662031 /nfs/dbraw/zinc/66/20/31/534662031.db2.gz JVAAAVQUASTHNP-QWHCGFSZSA-N 2 1 239.363 0.587 10 0 BCAEMP CC(=O)N[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261751283 534662038 /nfs/dbraw/zinc/66/20/38/534662038.db2.gz JVAAAVQUASTHNP-QWHCGFSZSA-N 2 1 239.363 0.587 10 0 BCAEMP CC(C)S(=O)(=O)CC[NH+]1CCC(C[NH3+])CC1 ZINC000217934825 535093045 /nfs/dbraw/zinc/09/30/45/535093045.db2.gz OLUODHLQQXMPKD-UHFFFAOYSA-N 2 1 248.392 0.480 10 0 BCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263314934 535480088 /nfs/dbraw/zinc/48/00/88/535480088.db2.gz QBYSPRNLJOWQLB-LLVKDONJSA-N 2 1 225.336 0.196 10 0 BCAEMP C[N@@H+](CCn1cncn1)[C@@H]1CCC[NH2+]CC1 ZINC000261598535 536414719 /nfs/dbraw/zinc/41/47/19/536414719.db2.gz ZPXIBSAHKQKSSF-LLVKDONJSA-N 2 1 223.324 0.352 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CCN1CC[C@@H]1C[NH3+] ZINC000757146479 582530232 /nfs/dbraw/zinc/53/02/32/582530232.db2.gz RDPVMKHJJGEGON-NWDGAFQWSA-N 2 1 211.353 0.894 10 0 BCAEMP CC(C)[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1N ZINC000702431117 582926124 /nfs/dbraw/zinc/92/61/24/582926124.db2.gz MTPBMDBHKAGCJR-VIFPVBQESA-N 2 1 212.297 0.166 10 0 BCAEMP C[NH2+][C@@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000114603433 588878474 /nfs/dbraw/zinc/87/84/74/588878474.db2.gz PIAUXYPUBAIZON-SNVBAGLBSA-N 2 1 206.293 0.892 10 0 BCAEMP C[NH2+][C@H]1CCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000114603435 588878598 /nfs/dbraw/zinc/87/85/98/588878598.db2.gz PIAUXYPUBAIZON-JTQLQIEISA-N 2 1 206.293 0.892 10 0 BCAEMP COC[C@H]([NH2+]C1CC[NH+](CCO)CC1)C(C)C ZINC000399148926 583171333 /nfs/dbraw/zinc/17/13/33/583171333.db2.gz YDGZTIRAFIWZPI-ZDUSSCGKSA-N 2 1 244.379 0.704 10 0 BCAEMP CN(C)CC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000757129007 586426563 /nfs/dbraw/zinc/42/65/63/586426563.db2.gz KQAQSRROTDZVHH-UHFFFAOYSA-N 2 1 211.353 0.766 10 0 BCAEMP CN(C)CC[N@H+]1CCCC12CC[NH2+]CC2 ZINC000757129007 586426565 /nfs/dbraw/zinc/42/65/65/586426565.db2.gz KQAQSRROTDZVHH-UHFFFAOYSA-N 2 1 211.353 0.766 10 0 BCAEMP COC(=O)[C@@H]1C[NH2+]C[C@]12CCC[N@@H+](C)CC2 ZINC000757183642 586434047 /nfs/dbraw/zinc/43/40/47/586434047.db2.gz DRFPKAXKGZEIFV-CMPLNLGQSA-N 2 1 226.320 0.481 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2CC[NH2+][C@H](C[NH3+])C2)cc1 ZINC000757211614 586437372 /nfs/dbraw/zinc/43/73/72/586437372.db2.gz HUPGIBUWWYNJKG-OLZOCXBDSA-N 2 1 219.332 0.940 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH3+])cc1 ZINC000757212953 586439269 /nfs/dbraw/zinc/43/92/69/586439269.db2.gz KKARVTSAVMPMDE-NWDGAFQWSA-N 3 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1ccc([C@@H]2CCNC[C@H]2[NH3+])cc1 ZINC000757212953 586439271 /nfs/dbraw/zinc/43/92/71/586439271.db2.gz KKARVTSAVMPMDE-NWDGAFQWSA-N 2 1 205.305 0.550 10 0 BCAEMP [NH3+]Cc1cccc([C@@H]2CC[C@@H](C[NH3+])[NH2+]C2)c1 ZINC000757217794 586441760 /nfs/dbraw/zinc/44/17/60/586441760.db2.gz SKUVKGQXQPSVQC-OLZOCXBDSA-N 3 1 219.332 0.940 10 0 BCAEMP C[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000125135624 590125582 /nfs/dbraw/zinc/12/55/82/590125582.db2.gz DHSFKDCKCLQOLD-LBPRGKRZSA-N 3 1 211.353 0.670 10 0 BCAEMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000137322153 592172819 /nfs/dbraw/zinc/17/28/19/592172819.db2.gz IODGXFXCZPGIAE-RYUDHWBXSA-N 2 1 237.347 0.420 10 0 BCAEMP CN(C)c1nc(N2CC[C@@H](CC[NH3+])C2)cc[nH+]1 ZINC000125506119 634523995 /nfs/dbraw/zinc/52/39/95/634523995.db2.gz VWEQUVKSZVSYII-SNVBAGLBSA-N 2 1 235.335 0.718 10 0 BCAEMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000094648279 635378797 /nfs/dbraw/zinc/37/87/97/635378797.db2.gz KMIBQVPJOGPENJ-JQWIXIFHSA-N 2 1 239.363 0.585 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847918 631545250 /nfs/dbraw/zinc/54/52/50/631545250.db2.gz FHKMRNHVQLSRMT-WXRRBKDZSA-N 2 1 244.379 0.974 10 0 BCAEMP CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309324027 632004620 /nfs/dbraw/zinc/00/46/20/632004620.db2.gz HQBLLLCPNMVHSQ-IRCOFANPSA-N 2 1 228.336 0.053 10 0 BCAEMP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000309171354 632660256 /nfs/dbraw/zinc/66/02/56/632660256.db2.gz AKRFQCXJACHWTJ-NXEZZACHSA-N 2 1 235.322 0.852 10 0 BCAEMP CCC[NH2+][C@@H](Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928171 632764598 /nfs/dbraw/zinc/76/45/98/632764598.db2.gz LHKXURKKEUDVTE-JTQLQIEISA-N 2 1 224.308 0.353 10 0 BCAEMP CC[NH2+][C@@](C)(Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928187 632765925 /nfs/dbraw/zinc/76/59/25/632765925.db2.gz INVXYXUWFUSCRK-NSHDSACASA-N 2 1 224.308 0.353 10 0 BCAEMP CN(C[C@@H]([NH3+])CC(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000309171355 633853808 /nfs/dbraw/zinc/85/38/08/633853808.db2.gz AKRFQCXJACHWTJ-UWVGGRQHSA-N 2 1 235.322 0.852 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000310276439 634104517 /nfs/dbraw/zinc/10/45/17/634104517.db2.gz JUMOCKLTOKTSGW-CHWSQXEVSA-N 2 1 244.379 0.835 10 0 BCAEMP Cc1c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cnn1C ZINC000086884461 636889898 /nfs/dbraw/zinc/88/98/98/636889898.db2.gz SRNFJSGVXDESGQ-SKDRFNHKSA-N 2 1 222.336 0.898 10 0 BCAEMP Cc1c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cnn1C ZINC000086884461 636889902 /nfs/dbraw/zinc/88/99/02/636889902.db2.gz SRNFJSGVXDESGQ-SKDRFNHKSA-N 2 1 222.336 0.898 10 0 BCAEMP Cc1cc[nH+]c(N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000043561761 638585384 /nfs/dbraw/zinc/58/53/84/638585384.db2.gz CQLGLXPGSPMWGN-UHFFFAOYSA-N 2 1 248.330 0.258 10 0 BCAEMP Cc1[nH+]ccn1C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045433041 640556671 /nfs/dbraw/zinc/55/66/71/640556671.db2.gz IYJVSGAJEATXDJ-NSHDSACASA-N 2 1 222.292 0.188 10 0 BCAEMP C[NH2+][C@](C)(CCCn1cc[nH+]c1C)C(N)=O ZINC000045432581 640556781 /nfs/dbraw/zinc/55/67/81/640556781.db2.gz JLQVMKBZGWINNU-LLVKDONJSA-N 2 1 224.308 0.435 10 0 BCAEMP CC(C)c1[nH+]ccn1CC[C@@](C)([NH3+])C(N)=O ZINC000045430725 640557735 /nfs/dbraw/zinc/55/77/35/640557735.db2.gz WSFLHLQTXNPUHF-LLVKDONJSA-N 2 1 224.308 0.599 10 0 BCAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000226126903 640733043 /nfs/dbraw/zinc/73/30/43/640733043.db2.gz KLCHENFXIDUUJP-QWHCGFSZSA-N 2 1 244.379 0.704 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+](C)[C@@H](CN)C1CC1 ZINC000227911632 640853633 /nfs/dbraw/zinc/85/36/33/640853633.db2.gz UQJSAVUVXPKOGM-OLZOCXBDSA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@H](O)C[N@@H+](C)[C@@H](CN)C1CC1 ZINC000227911632 640853634 /nfs/dbraw/zinc/85/36/34/640853634.db2.gz UQJSAVUVXPKOGM-OLZOCXBDSA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000227911632 640853637 /nfs/dbraw/zinc/85/36/37/640853637.db2.gz UQJSAVUVXPKOGM-OLZOCXBDSA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000227911632 640853641 /nfs/dbraw/zinc/85/36/41/640853641.db2.gz UQJSAVUVXPKOGM-OLZOCXBDSA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000227910225 640854231 /nfs/dbraw/zinc/85/42/31/640854231.db2.gz TXCVMVKMLVCJPV-STQMWFEESA-N 2 1 244.379 0.835 10 0 BCAEMP Cc1[nH+]ccn1CC[C@@H]([NH2+]C(C)C)C(N)=O ZINC000062535166 641057484 /nfs/dbraw/zinc/05/74/84/641057484.db2.gz ZCQHTCFYIBORAU-SNVBAGLBSA-N 2 1 224.308 0.434 10 0 BCAEMP CCC[NH2+][C@H](CCn1cc[nH+]c1C)C(N)=O ZINC000062535022 641057996 /nfs/dbraw/zinc/05/79/96/641057996.db2.gz HYKZCNGTCPALEH-SNVBAGLBSA-N 2 1 224.308 0.435 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000069660933 642892562 /nfs/dbraw/zinc/89/25/62/642892562.db2.gz CKVSPNKZYMMXIP-VXGBXAGGSA-N 2 1 230.352 0.443 10 0 BCAEMP CCCc1[nH+]ccn1C[C@@H]([NH2+]CC)C(N)=O ZINC000069964645 642947359 /nfs/dbraw/zinc/94/73/59/642947359.db2.gz YVDJTGYJZBZBHE-SECBINFHSA-N 2 1 224.308 0.299 10 0 BCAEMP CN(C)c1nc(NC[C@H]([NH3+])C2CC2)cc[nH+]1 ZINC000082924649 643389188 /nfs/dbraw/zinc/38/91/88/643389188.db2.gz UVWGMIMYHHIVEE-VIFPVBQESA-N 2 1 221.308 0.692 10 0 BCAEMP Cc1[nH+]cn(C[C@@]([NH3+])(C(N)=O)C2CC2)c1C ZINC000068943283 643434273 /nfs/dbraw/zinc/43/42/73/643434273.db2.gz XWZSFBZMKRWHGM-NSHDSACASA-N 2 1 222.292 0.093 10 0 BCAEMP C[NH2+][C@@]1(C(N)=O)CC[C@@H](n2cc[nH+]c2C)C1 ZINC000086626651 643636714 /nfs/dbraw/zinc/63/67/14/643636714.db2.gz ORSUYEPSJKXSIW-KOLCDFICSA-N 2 1 222.292 0.360 10 0 BCAEMP Cc1ccnc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321427892 644130017 /nfs/dbraw/zinc/13/00/17/644130017.db2.gz WQVWJPYVGYRCPI-UHFFFAOYSA-N 2 1 235.335 0.620 10 0 BCAEMP C[NH2+][C@]1(C(N)=O)CC[C@H](n2cc[nH+]c2C)C1 ZINC000086626648 644156695 /nfs/dbraw/zinc/15/66/95/644156695.db2.gz ORSUYEPSJKXSIW-GXSJLCMTSA-N 2 1 222.292 0.360 10 0 BCAEMP COC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000086702692 644166354 /nfs/dbraw/zinc/16/63/54/644166354.db2.gz MSOPCKSFJUHMGL-SECBINFHSA-N 2 1 214.309 0.479 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@H]1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000251717280 644818823 /nfs/dbraw/zinc/81/88/23/644818823.db2.gz JSYGSEJKDQCXGN-AGIUHOORSA-N 2 1 223.364 0.622 10 0 BCAEMP CN(C)c1nc(NC[C@H]2C[C@H]([NH3+])C2)cc[nH+]1 ZINC000715073638 712506171 /nfs/dbraw/zinc/50/61/71/712506171.db2.gz SRLITYJFAVWUML-KYZUINATSA-N 2 1 221.308 0.692 10 0 BCAEMP C[C@@H]([NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812652 712762865 /nfs/dbraw/zinc/76/28/65/712762865.db2.gz CAWYNTUZRKEPGG-NXEZZACHSA-N 2 1 211.309 0.030 10 0 BCAEMP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC[NH2+]C1CC1)C2 ZINC000709782066 712226540 /nfs/dbraw/zinc/22/65/40/712226540.db2.gz CCVBMOLDCLLWCE-KGYLQXTDSA-N 2 1 224.348 0.974 10 0 BCAEMP C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000716686445 712569859 /nfs/dbraw/zinc/56/98/59/712569859.db2.gz YLSQZOOGABVXDW-AGVGLQIMSA-N 2 1 225.336 0.371 10 0 BCAEMP C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CC[N@@H+]1C ZINC000716762726 712572893 /nfs/dbraw/zinc/57/28/93/712572893.db2.gz ZLSMRIMDKKTLFK-QPBDYMMBSA-N 2 1 225.336 0.323 10 0 BCAEMP C[C@H]1C[C@H]([NH2+]C2CC(C(N)=O)C2)CC[N@H+]1C ZINC000716762726 712572894 /nfs/dbraw/zinc/57/28/94/712572894.db2.gz ZLSMRIMDKKTLFK-QPBDYMMBSA-N 2 1 225.336 0.323 10 0 BCAEMP C1C[C@@H](N[C@H]2CCC[N@H+]3CCSC[C@H]23)C[NH2+]1 ZINC000720484741 712846944 /nfs/dbraw/zinc/84/69/44/712846944.db2.gz RBQGIFJBKJKPGA-GRYCIOLGSA-N 2 1 241.404 0.518 10 0 BCAEMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cn(C)nn1 ZINC000720616737 712859252 /nfs/dbraw/zinc/85/92/52/712859252.db2.gz YJDMUGWMVZUFQD-SNVBAGLBSA-N 2 1 248.334 0.832 10 0 BCAEMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cn(C)nn1 ZINC000720616736 712859324 /nfs/dbraw/zinc/85/93/24/712859324.db2.gz YJDMUGWMVZUFQD-JTQLQIEISA-N 2 1 248.334 0.832 10 0 BCAEMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC([NH3+])C1 ZINC000720901461 712875632 /nfs/dbraw/zinc/87/56/32/712875632.db2.gz SALRTASNGGPNAT-KIDURHIOSA-N 2 1 237.347 0.419 10 0 BCAEMP Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC000235391618 178120420 /nfs/dbraw/zinc/12/04/20/178120420.db2.gz CBDPLINTLLMZGP-XCBNKYQSSA-N 2 1 206.293 0.877 10 0 BCAEMP Cc1cc(NC[C@@H]2C[NH2+]CCO2)nc(C)[nH+]1 ZINC000227786922 178167152 /nfs/dbraw/zinc/16/71/52/178167152.db2.gz ZUFBEMVTNQFXJS-JTQLQIEISA-N 2 1 222.292 0.494 10 0 BCAEMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164626 538961597 /nfs/dbraw/zinc/96/15/97/538961597.db2.gz CZBABMNSVJVMCO-NEPJUHHUSA-N 2 1 212.337 0.974 10 0 BCAEMP CC(C)(N)C[N@H+]1CCCC[C@@H](CO)C1 ZINC000306656712 361865648 /nfs/dbraw/zinc/86/56/48/361865648.db2.gz HGSCMMCCKYCUAS-SNVBAGLBSA-N 2 1 200.326 0.818 10 0 BCAEMP CC(C)([NH3+])CN1CCCC[C@@H](CO)C1 ZINC000306656712 361865650 /nfs/dbraw/zinc/86/56/50/361865650.db2.gz HGSCMMCCKYCUAS-SNVBAGLBSA-N 2 1 200.326 0.818 10 0 BCAEMP FC(F)(F)COCCC[NH2+][C@H]1CC[NH2+]C1 ZINC000309616408 342754461 /nfs/dbraw/zinc/75/44/61/342754461.db2.gz FKHAUJIOEPBIMH-QMMMGPOBSA-N 2 1 226.242 0.907 10 0 BCAEMP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[N@@H+](C)C1CC1 ZINC000167336923 136245483 /nfs/dbraw/zinc/24/54/83/136245483.db2.gz CMQQMNGNRBYMJH-MXWKQRLJSA-N 2 1 239.363 0.713 10 0 BCAEMP C[C@H]([NH3+])CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812651 398334475 /nfs/dbraw/zinc/33/44/75/398334475.db2.gz CAWYNTUZRKEPGG-VHSXEESVSA-N 2 1 211.309 0.030 10 0 BCAEMP C[C@@H](C(N)=S)[N@H+](C)C1CC[NH+](C)CC1 ZINC000043513888 343115597 /nfs/dbraw/zinc/11/55/97/343115597.db2.gz MJRIDPGRAZYPNO-QMMMGPOBSA-N 2 1 215.366 0.687 10 0 BCAEMP C[C@@H](C(N)=S)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000043513888 343115599 /nfs/dbraw/zinc/11/55/99/343115599.db2.gz MJRIDPGRAZYPNO-QMMMGPOBSA-N 2 1 215.366 0.687 10 0 BCAEMP C[C@@H](C[NH3+])CNc1cc[nH+]c(N(C)C)n1 ZINC000083387518 343480170 /nfs/dbraw/zinc/48/01/70/343480170.db2.gz SHOJCXHMGOWONV-QMMMGPOBSA-N 2 1 209.297 0.549 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634770379 344284540 /nfs/dbraw/zinc/28/45/40/344284540.db2.gz JPCLEDUGDMWJEH-AAEUAGOBSA-N 2 1 237.347 0.150 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000600709670 344360671 /nfs/dbraw/zinc/36/06/71/344360671.db2.gz PJVUQBUTIJEKLO-SRVKXCTJSA-N 2 1 240.347 0.999 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000600709668 344361038 /nfs/dbraw/zinc/36/10/38/344361038.db2.gz PJVUQBUTIJEKLO-QJPTWQEYSA-N 2 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212.337 0.689 10 0 BCAEMP CC[NH+]1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054290198 348962174 /nfs/dbraw/zinc/96/21/74/348962174.db2.gz GEHIHOZKQIDIIW-GFCCVEGCSA-N 2 1 239.363 0.540 10 0 BCAEMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054291007 348962794 /nfs/dbraw/zinc/96/27/94/348962794.db2.gz WKEHFVHQZJQBSH-RYUDHWBXSA-N 2 1 239.363 0.444 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000252601562 349206595 /nfs/dbraw/zinc/20/65/95/349206595.db2.gz MLNYZCKXIBMOAV-WOPDTQHZSA-N 2 1 239.363 0.585 10 0 BCAEMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000250644945 490253286 /nfs/dbraw/zinc/25/32/86/490253286.db2.gz VANYUSSQEWOQAW-AXFHLTTASA-N 2 1 225.336 0.324 10 0 BCAEMP Cc1[nH+]ccn1-c1cc(C(N)=[NH2+])ccn1 ZINC000019434785 180229331 /nfs/dbraw/zinc/22/93/31/180229331.db2.gz UUQFATXPBPEIRF-UHFFFAOYSA-N 2 1 201.233 0.860 10 0 BCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(N)=O ZINC000178314417 180268684 /nfs/dbraw/zinc/26/86/84/180268684.db2.gz 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0.132 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193640712 188175598 /nfs/dbraw/zinc/17/55/98/188175598.db2.gz CVDXLALQVIQIDS-MNOVXSKESA-N 2 1 227.352 0.583 10 0 BCAEMP CC(C)N(C)[C@@]1(C[NH3+])CN2CCC1CC2 ZINC000020442185 188176363 /nfs/dbraw/zinc/17/63/63/188176363.db2.gz MNPHKQKVAVBIBC-LBPRGKRZSA-N 2 1 211.353 0.750 10 0 BCAEMP CC(C)N(C)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000020442185 188176364 /nfs/dbraw/zinc/17/63/64/188176364.db2.gz MNPHKQKVAVBIBC-LBPRGKRZSA-N 2 1 211.353 0.750 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000054133512 188221828 /nfs/dbraw/zinc/22/18/28/188221828.db2.gz YPDWMJJMMVTINT-NSHDSACASA-N 2 1 227.352 0.442 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000250221564 353269491 /nfs/dbraw/zinc/26/94/91/353269491.db2.gz DWROMGUYIBHGGD-WOPDTQHZSA-N 2 1 239.363 0.572 10 0 BCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1([NH3+])CCC1 ZINC000251770784 353288240 /nfs/dbraw/zinc/28/82/40/353288240.db2.gz MKDZYPXIWPSGCL-MNOVXSKESA-N 2 1 237.347 0.563 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165320033 353299397 /nfs/dbraw/zinc/29/93/97/353299397.db2.gz QYJXSVYPDDOODI-VXGBXAGGSA-N 2 1 241.379 0.914 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252863427 353312850 /nfs/dbraw/zinc/31/28/50/353312850.db2.gz OQFVVOWRINPWNE-GARJFASQSA-N 2 1 226.320 0.609 10 0 BCAEMP Cc1cc(NC[C@H]2COCCN2)c(C#N)cn1 ZINC000399027850 353691025 /nfs/dbraw/zinc/69/10/25/353691025.db2.gz ICUSFLQESCYNKQ-NSHDSACASA-N 2 1 232.287 0.084 10 0 BCAEMP CC[N@@H+](CCOCCO)C[C@@H]1CCC[NH2+]C1 ZINC000233462461 353821721 /nfs/dbraw/zinc/82/17/21/353821721.db2.gz BYCOUFJQMBJJKR-GFCCVEGCSA-N 2 1 230.352 0.317 10 0 BCAEMP C[C@H]([NH3+])[C@@H](CO)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817649 363442557 /nfs/dbraw/zinc/44/25/57/363442557.db2.gz OIJPSJNQQURUCU-ZRUFSTJUSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@H]([NH3+])[C@@H](CO)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000224817649 363442559 /nfs/dbraw/zinc/44/25/59/363442559.db2.gz OIJPSJNQQURUCU-ZRUFSTJUSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H](C[NH+](C)C)OC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000584658881 491070634 /nfs/dbraw/zinc/07/06/34/491070634.db2.gz NHMTZOYNATXMIC-WDEREUQCSA-N 2 1 228.336 0.822 10 0 BCAEMP NC(=[NH2+])CC[N@H+](CCN1CCOCC1)C1CC1 ZINC000042548003 181186535 /nfs/dbraw/zinc/18/65/35/181186535.db2.gz OUEIKRDDJPDVKJ-UHFFFAOYSA-N 2 1 240.351 0.109 10 0 BCAEMP NC(=[NH2+])CC[N@@H+](CCN1CCOCC1)C1CC1 ZINC000042548003 181186536 /nfs/dbraw/zinc/18/65/36/181186536.db2.gz OUEIKRDDJPDVKJ-UHFFFAOYSA-N 2 1 240.351 0.109 10 0 BCAEMP NC(=O)CC1CC[NH+]([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000042438608 181220163 /nfs/dbraw/zinc/22/01/63/181220163.db2.gz NSRVSEUKXSBQSG-RYUDHWBXSA-N 2 1 239.363 0.844 10 0 BCAEMP NC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000051918910 181281276 /nfs/dbraw/zinc/28/12/76/181281276.db2.gz ZOWFLKVIYMKKCW-RYUDHWBXSA-N 2 1 239.363 0.573 10 0 BCAEMP CCC[N@@H+](CC)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675074998 538507834 /nfs/dbraw/zinc/50/78/34/538507834.db2.gz FILZHWCLMDMYHF-SNVBAGLBSA-N 2 1 226.320 0.623 10 0 BCAEMP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000390158063 357085172 /nfs/dbraw/zinc/08/51/72/357085172.db2.gz XVXKSTAFSJFRRU-YTWAJWBKSA-N 2 1 225.336 0.132 10 0 BCAEMP C[N@@H+](CC(C)(C)O)[C@H]1CCC[NH2+]CC1 ZINC000160718984 357320095 /nfs/dbraw/zinc/32/00/95/357320095.db2.gz TURUVBQBKUCQFM-JTQLQIEISA-N 2 1 200.326 0.831 10 0 BCAEMP C[C@H]1C[NH2+]C[C@H](C)C1N1CC[NH+](C)CC1 ZINC000685950541 538894107 /nfs/dbraw/zinc/89/41/07/538894107.db2.gz AWYRKTDPNSTWEB-QWRGUYRKSA-N 2 1 211.353 0.478 10 0 BCAEMP C[C@@H]1C[N@@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951179 538894847 /nfs/dbraw/zinc/89/48/47/538894847.db2.gz OXWBRGWVLZQSIS-GARJFASQSA-N 2 1 212.337 0.951 10 0 BCAEMP C[C@@H]1C[N@H+](C2[C@@H](C)C[NH2+]C[C@@H]2C)CCO1 ZINC000685951179 538894849 /nfs/dbraw/zinc/89/48/49/538894849.db2.gz OXWBRGWVLZQSIS-GARJFASQSA-N 2 1 212.337 0.951 10 0 BCAEMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000191818025 357799552 /nfs/dbraw/zinc/79/95/52/357799552.db2.gz NMVZETIWNXDTLA-NEPJUHHUSA-N 2 1 230.352 0.146 10 0 BCAEMP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000191818025 357799555 /nfs/dbraw/zinc/79/95/55/357799555.db2.gz NMVZETIWNXDTLA-NEPJUHHUSA-N 2 1 230.352 0.146 10 0 BCAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012752 134221424 /nfs/dbraw/zinc/22/14/24/134221424.db2.gz ARRVTXZJZAPTPU-QWRGUYRKSA-N 2 1 227.352 0.570 10 0 BCAEMP C[C@@H]1C[C@H](O)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639938743 357944734 /nfs/dbraw/zinc/94/47/34/357944734.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 1 242.363 0.287 10 0 BCAEMP C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000639938743 357944738 /nfs/dbraw/zinc/94/47/38/357944738.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 1 242.363 0.287 10 0 BCAEMP C[C@@H]1C[C@H](O)CC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000639938743 357944741 /nfs/dbraw/zinc/94/47/41/357944741.db2.gz KOCIRJWAWFTRTL-RAIGVLPGSA-N 2 1 242.363 0.287 10 0 BCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH2+]C ZINC000220086675 358024037 /nfs/dbraw/zinc/02/40/37/358024037.db2.gz ZELRULRALFHVTO-NXEZZACHSA-N 2 1 215.341 0.441 10 0 BCAEMP COCC[N@H+](C)CCN[C@H]1CCC[NH2+]CC1 ZINC000168749138 134247629 /nfs/dbraw/zinc/24/76/29/134247629.db2.gz GOFUWXQOZZUCOD-LBPRGKRZSA-N 2 1 229.368 0.296 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538922 358390100 /nfs/dbraw/zinc/39/01/00/358390100.db2.gz BEPOJIBMASMKHK-WDEREUQCSA-N 2 1 227.352 0.572 10 0 BCAEMP CN(C)c1nc(N2CC[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000212756491 358621134 /nfs/dbraw/zinc/62/11/34/358621134.db2.gz VKDKQQBPQADODI-UHFFFAOYSA-N 2 1 235.335 0.731 10 0 BCAEMP CC[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000308587165 491137238 /nfs/dbraw/zinc/13/72/38/491137238.db2.gz ITKABOFFSNLBRC-JTQLQIEISA-N 2 1 200.326 0.831 10 0 BCAEMP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CC[C@@](C)(O)C1 ZINC000306151215 358914948 /nfs/dbraw/zinc/91/49/48/358914948.db2.gz HFFIDVKMOVUOAE-GMTAPVOTSA-N 2 1 200.326 0.959 10 0 BCAEMP C[C@@H]1C[N@H+](C[C@](C)(O)C[NH3+])C[C@H](C)S1 ZINC000306213436 359307300 /nfs/dbraw/zinc/30/73/00/359307300.db2.gz WWPXKMNWLRRXHJ-KXUCPTDWSA-N 2 1 218.366 0.522 10 0 BCAEMP c1ccc(C[N@@H+]2CC[C@@H](NC3=[NH+]CCN3)C2)cc1 ZINC000306223893 359347401 /nfs/dbraw/zinc/34/74/01/359347401.db2.gz CHHYAKSHAOPLMR-CYBMUJFWSA-N 2 1 244.342 0.810 10 0 BCAEMP c1ccc(C[N@H+]2CC[C@@H](NC3=[NH+]CCN3)C2)cc1 ZINC000306223893 359347409 /nfs/dbraw/zinc/34/74/09/359347409.db2.gz CHHYAKSHAOPLMR-CYBMUJFWSA-N 2 1 244.342 0.810 10 0 BCAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000306518234 360345647 /nfs/dbraw/zinc/34/56/47/360345647.db2.gz GVAZJHSQPOFVEV-KXUCPTDWSA-N 2 1 200.326 0.815 10 0 BCAEMP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309965712 491158621 /nfs/dbraw/zinc/15/86/21/491158621.db2.gz NJFVJIMSIXSMDT-QWRGUYRKSA-N 2 1 230.352 0.456 10 0 BCAEMP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000309965710 491158656 /nfs/dbraw/zinc/15/86/56/491158656.db2.gz NJFVJIMSIXSMDT-MNOVXSKESA-N 2 1 230.352 0.456 10 0 BCAEMP [NH3+]C1CCC([NH+]2CCS(=O)CC2)CC1 ZINC000055144442 181341388 /nfs/dbraw/zinc/34/13/88/181341388.db2.gz OJXIDZGDVGXOHO-UHFFFAOYSA-N 2 1 216.350 0.321 10 0 BCAEMP CCCc1[nH+]ccn1C[C@@](C)([NH3+])C(N)=O ZINC000069964637 541307877 /nfs/dbraw/zinc/30/78/77/541307877.db2.gz FMQFQOCNELVZLG-SNVBAGLBSA-N 2 1 210.281 0.038 10 0 BCAEMP CO[C@@H]1C[N@H+](CCCF)[C@@](C)(C[NH3+])C1 ZINC000630369228 364086396 /nfs/dbraw/zinc/08/63/96/364086396.db2.gz VZVAQNJJBSWSHG-VHSXEESVSA-N 2 1 204.289 0.784 10 0 BCAEMP CO[C@@H]1C[N@@H+](CCCF)[C@@](C)(C[NH3+])C1 ZINC000630369228 364086398 /nfs/dbraw/zinc/08/63/98/364086398.db2.gz VZVAQNJJBSWSHG-VHSXEESVSA-N 2 1 204.289 0.784 10 0 BCAEMP [NH3+]CC1(C[N@H+]2CCC[C@H]2CO)CCCC1 ZINC000051254870 181359166 /nfs/dbraw/zinc/35/91/66/181359166.db2.gz MDRFDPOJXCGRIC-NSHDSACASA-N 2 1 212.337 0.962 10 0 BCAEMP [NH3+]C1(CNc2[nH]c3ccccc3[nH+]2)CCOCC1 ZINC000630525650 364212085 /nfs/dbraw/zinc/21/20/85/364212085.db2.gz HHUPJJYSZAOXCY-UHFFFAOYSA-N 2 1 246.314 0.905 10 0 BCAEMP C[NH2+]CCOCCN(C)c1cc(C)[nH+]c(C)n1 ZINC000630529949 364217046 /nfs/dbraw/zinc/21/70/46/364217046.db2.gz FPFFWBQOSVMYKV-UHFFFAOYSA-N 2 1 238.335 0.766 10 0 BCAEMP C[NH2+]CCOCCN(C)c1[nH+]cnc2[nH]ccc21 ZINC000630530188 364217521 /nfs/dbraw/zinc/21/75/21/364217521.db2.gz GSXISEROJPBGQO-UHFFFAOYSA-N 2 1 249.318 0.630 10 0 BCAEMP [NH3+]CC1([N@@H+]2CCCOCC2)CCOCC1 ZINC000061916433 181360711 /nfs/dbraw/zinc/36/07/11/181360711.db2.gz MMQGHTYZGXNKQM-UHFFFAOYSA-N 2 1 214.309 0.217 10 0 BCAEMP [NH3+]CC1CC[NH+](CC(=O)c2ccc[nH]2)CC1 ZINC000095072679 181364756 /nfs/dbraw/zinc/36/47/56/181364756.db2.gz BNQIZEHBYXWYRA-UHFFFAOYSA-N 2 1 221.304 0.868 10 0 BCAEMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864404 364544130 /nfs/dbraw/zinc/54/41/30/364544130.db2.gz XEGFFZAZSXAJOE-LLVKDONJSA-N 2 1 227.352 0.489 10 0 BCAEMP CCC[C@@H](C[NH2+]C1CC[NH+](CCO)CC1)OC ZINC000399022110 364726722 /nfs/dbraw/zinc/72/67/22/364726722.db2.gz HQZJYLZUNSODDC-ZDUSSCGKSA-N 2 1 244.379 0.848 10 0 BCAEMP [NH3+]CCCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973897 181375163 /nfs/dbraw/zinc/37/51/63/181375163.db2.gz IVTZQHIQGBSWBR-CYBMUJFWSA-N 2 1 241.379 0.522 10 0 BCAEMP [NH3+]CCCN1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000037038101 181380767 /nfs/dbraw/zinc/38/07/67/181380767.db2.gz NGXLQXNAFDIEEF-UHFFFAOYSA-N 2 1 248.374 0.938 10 0 BCAEMP [NH3+]CCC[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000037038101 181380769 /nfs/dbraw/zinc/38/07/69/181380769.db2.gz NGXLQXNAFDIEEF-UHFFFAOYSA-N 2 1 248.374 0.938 10 0 BCAEMP [NH3+]CCC[N@H+]1CCCN(Cc2cccnc2)CC1 ZINC000037038101 181380771 /nfs/dbraw/zinc/38/07/71/181380771.db2.gz NGXLQXNAFDIEEF-UHFFFAOYSA-N 2 1 248.374 0.938 10 0 BCAEMP [NH3+]CCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000037713359 181383594 /nfs/dbraw/zinc/38/35/94/181383594.db2.gz GXFVBTCCPJDKBP-JTQLQIEISA-N 2 1 208.261 0.764 10 0 BCAEMP COC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000382200455 367498273 /nfs/dbraw/zinc/49/82/73/367498273.db2.gz DYAFPJFSRVMYIQ-WRWGMCAJSA-N 2 1 212.337 0.938 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587460 /nfs/dbraw/zinc/58/74/60/367587460.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587467 /nfs/dbraw/zinc/58/74/67/367587467.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587473 /nfs/dbraw/zinc/58/74/73/367587473.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587477 /nfs/dbraw/zinc/58/74/77/367587477.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587483 /nfs/dbraw/zinc/58/74/83/367587483.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587488 /nfs/dbraw/zinc/58/74/88/367587488.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000581555893 367587493 /nfs/dbraw/zinc/58/74/93/367587493.db2.gz AOIRLPBHJNTGAL-SDDRHHMPSA-N 2 1 212.337 0.783 10 0 BCAEMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000383569417 367640726 /nfs/dbraw/zinc/64/07/26/367640726.db2.gz JTPVAIXGQUAZNP-QWHCGFSZSA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000383569417 367640731 /nfs/dbraw/zinc/64/07/31/367640731.db2.gz JTPVAIXGQUAZNP-QWHCGFSZSA-N 2 1 244.379 0.536 10 0 BCAEMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000383569417 367640735 /nfs/dbraw/zinc/64/07/35/367640735.db2.gz JTPVAIXGQUAZNP-QWHCGFSZSA-N 2 1 244.379 0.536 10 0 BCAEMP Cn1nccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000087647202 367948530 /nfs/dbraw/zinc/94/85/30/367948530.db2.gz GROZYHISTFZKMJ-JTQLQIEISA-N 2 1 208.309 0.509 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+]([C@H](C[NH3+])CO)C1 ZINC000253105501 368491530 /nfs/dbraw/zinc/49/15/30/368491530.db2.gz TUSXKCJBANABEX-VPOLOUISSA-N 2 1 200.326 0.672 10 0 BCAEMP C[C@@H]1C[C@H](C)[C@H](C)[N@H+]([C@H](C[NH3+])CO)C1 ZINC000253105501 368491538 /nfs/dbraw/zinc/49/15/38/368491538.db2.gz TUSXKCJBANABEX-VPOLOUISSA-N 2 1 200.326 0.672 10 0 BCAEMP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000083887486 368835096 /nfs/dbraw/zinc/83/50/96/368835096.db2.gz ZJAQZJOHFWHBIZ-NSHDSACASA-N 2 1 223.320 0.117 10 0 BCAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCC[NH2+]1 ZINC000083887486 368835098 /nfs/dbraw/zinc/83/50/98/368835098.db2.gz ZJAQZJOHFWHBIZ-NSHDSACASA-N 2 1 223.320 0.117 10 0 BCAEMP O[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623766633 369029694 /nfs/dbraw/zinc/02/96/94/369029694.db2.gz JLUAMZFODFUSIP-ZDEQEGDKSA-N 2 1 240.347 0.353 10 0 BCAEMP Cc1cnn(CC[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838664 369120049 /nfs/dbraw/zinc/12/00/49/369120049.db2.gz SKXJRDRUHUSHPI-VXGBXAGGSA-N 2 1 222.336 0.718 10 0 BCAEMP C[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)CC[N@H+]1C ZINC000156137127 326219878 /nfs/dbraw/zinc/21/98/78/326219878.db2.gz IMDQSPQNGIAMSO-QTAHKJALSA-N 2 1 212.337 0.830 10 0 BCAEMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841780 369358475 /nfs/dbraw/zinc/35/84/75/369358475.db2.gz PMZHUYLMMQHPMJ-SRVKXCTJSA-N 2 1 241.379 0.818 10 0 BCAEMP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841781 369358717 /nfs/dbraw/zinc/35/87/17/369358717.db2.gz PMZHUYLMMQHPMJ-WOPDTQHZSA-N 2 1 241.379 0.818 10 0 BCAEMP C[NH+](C)C1(CC[NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000092511324 371101016 /nfs/dbraw/zinc/10/10/16/371101016.db2.gz MOGYDAOHFUTPRH-UHFFFAOYSA-N 2 1 243.351 0.886 10 0 BCAEMP O[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624239746 371429061 /nfs/dbraw/zinc/42/90/61/371429061.db2.gz SLVOLXJMCKGYBS-STQMWFEESA-N 2 1 240.347 0.353 10 0 BCAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000227585114 371899904 /nfs/dbraw/zinc/89/99/04/371899904.db2.gz RYKBUFAFXWVOBT-NXEZZACHSA-N 2 1 243.351 0.933 10 0 BCAEMP C[C@H](C[NH2+]CC[NH3+])N(C)C(=O)OC(C)(C)C ZINC000306678577 372053996 /nfs/dbraw/zinc/05/39/96/372053996.db2.gz AOIXWCRVBWFDGG-SECBINFHSA-N 2 1 231.340 0.790 10 0 BCAEMP CC[C@](C)(C[NH3+])[C@]1(O)CCC[N@@H+](C)C1 ZINC000134369638 372200790 /nfs/dbraw/zinc/20/07/90/372200790.db2.gz URPFHKKGLCXCBT-MNOVXSKESA-N 2 1 200.326 0.818 10 0 BCAEMP COCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839220 372634386 /nfs/dbraw/zinc/63/43/86/372634386.db2.gz BZTCCDBVFMCMRV-GARJFASQSA-N 2 1 200.326 0.938 10 0 BCAEMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631840232 372636063 /nfs/dbraw/zinc/63/60/63/372636063.db2.gz AYZJHZQQONHPHK-BJDJZHNGSA-N 2 1 241.379 0.816 10 0 BCAEMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842215 372640279 /nfs/dbraw/zinc/64/02/79/372640279.db2.gz XANZPIANVOTJNS-MXWKQRLJSA-N 2 1 241.379 0.816 10 0 BCAEMP CCNC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000051760038 170051278 /nfs/dbraw/zinc/05/12/78/170051278.db2.gz BNTINYVNEFYBGM-SNVBAGLBSA-N 2 1 213.325 0.183 10 0 BCAEMP CCOCC[N@@H+](CCC[NH3+])CCOC ZINC000070843747 170396894 /nfs/dbraw/zinc/39/68/94/170396894.db2.gz KJEHMZHUNRCQAL-UHFFFAOYSA-N 2 1 204.314 0.320 10 0 BCAEMP OCC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000162334991 183094822 /nfs/dbraw/zinc/09/48/22/183094822.db2.gz MNTKKDIXLGOJTP-LBPRGKRZSA-N 2 1 212.337 0.690 10 0 BCAEMP OC[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000049474430 183122501 /nfs/dbraw/zinc/12/25/01/183122501.db2.gz AIEATRLNESKNPB-GFCCVEGCSA-N 2 1 212.337 0.787 10 0 BCAEMP OC[C@]1([N@H+]2CCC[NH2+]CC2)CCCSC1 ZINC000061590874 183159722 /nfs/dbraw/zinc/15/97/22/183159722.db2.gz RGXLWTJVIPLPGQ-LLVKDONJSA-N 2 1 230.377 0.540 10 0 BCAEMP CCC[N@H+]([C@H](C)C(=O)NCC)C1CC[NH2+]CC1 ZINC000037539341 169091452 /nfs/dbraw/zinc/09/14/52/169091452.db2.gz SQXIBFJFBZCNIU-LLVKDONJSA-N 2 1 241.379 0.975 10 0 BCAEMP CCC[N@@H+]([C@H](C)C(=O)NCC)C1CC[NH2+]CC1 ZINC000037539341 169091454 /nfs/dbraw/zinc/09/14/54/169091454.db2.gz SQXIBFJFBZCNIU-LLVKDONJSA-N 2 1 241.379 0.975 10 0 BCAEMP CCC[N@@H+](CC(=O)N1CCC[NH2+]CC1)C(C)C ZINC000042354523 169092628 /nfs/dbraw/zinc/09/26/28/169092628.db2.gz ZBZXFJIJHJUMFP-UHFFFAOYSA-N 2 1 241.379 0.929 10 0 BCAEMP O=c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nc[nH]1 ZINC000045956797 183257470 /nfs/dbraw/zinc/25/74/70/183257470.db2.gz GKLXIWBIODHVQM-SECBINFHSA-N 2 1 222.292 0.271 10 0 BCAEMP CCC[N@@H+](CC[C@H](C[NH3+])OCC)CC(=O)OC ZINC000103926873 169170101 /nfs/dbraw/zinc/17/01/01/169170101.db2.gz PUTLZLQOIPFJGQ-LLVKDONJSA-N 2 1 246.351 0.625 10 0 BCAEMP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC000037208380 169197923 /nfs/dbraw/zinc/19/79/23/169197923.db2.gz XIMPYMKTFMSKEU-MNOVXSKESA-N 2 1 227.352 0.572 10 0 BCAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC000037208380 169197926 /nfs/dbraw/zinc/19/79/26/169197926.db2.gz XIMPYMKTFMSKEU-MNOVXSKESA-N 2 1 227.352 0.572 10 0 BCAEMP CCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000019479842 169201206 /nfs/dbraw/zinc/20/12/06/169201206.db2.gz AFNFUCNMSVFQKK-NSHDSACASA-N 2 1 227.352 0.524 10 0 BCAEMP CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749973 169223459 /nfs/dbraw/zinc/22/34/59/169223459.db2.gz PEMRXRCSOXGFRV-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749973 169223461 /nfs/dbraw/zinc/22/34/61/169223461.db2.gz PEMRXRCSOXGFRV-FGWVZKOKSA-N 2 1 225.336 0.467 10 0 BCAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(N)=O ZINC000054628143 169255184 /nfs/dbraw/zinc/25/51/84/169255184.db2.gz LPBITALZNCPYCP-YOGCLGLASA-N 2 1 239.363 0.857 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@H+](CC)C1CC[NH2+]CC1 ZINC000037538790 169244873 /nfs/dbraw/zinc/24/48/73/169244873.db2.gz FTPBSOMBXVQQED-NSHDSACASA-N 2 1 241.379 0.975 10 0 BCAEMP CCCNC(=O)[C@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC000037538790 169244875 /nfs/dbraw/zinc/24/48/75/169244875.db2.gz FTPBSOMBXVQQED-NSHDSACASA-N 2 1 241.379 0.975 10 0 BCAEMP CCCNC(=O)[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000042220704 169246947 /nfs/dbraw/zinc/24/69/47/169246947.db2.gz HLXZGJXVYIGMAY-LBPRGKRZSA-N 2 1 241.379 0.977 10 0 BCAEMP CCC[NH2+]C[C@H](O)C[N@@H+](CCOC)CC(C)C ZINC000042368652 169263131 /nfs/dbraw/zinc/26/31/31/169263131.db2.gz JZLDUUIOIIOWOC-ZDUSSCGKSA-N 2 1 246.395 0.951 10 0 BCAEMP CCC[NH2+]C[C@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000104194831 169263333 /nfs/dbraw/zinc/26/33/33/169263333.db2.gz IUIPJSZNDZGPSB-ZDUSSCGKSA-N 2 1 244.379 0.705 10 0 BCAEMP CCC[NH2+]C[C@]1(C[N@H+]2CC[C@H](O)C2)CCOC1 ZINC000061711791 169264679 /nfs/dbraw/zinc/26/46/79/169264679.db2.gz PIRSZULBCDYUOL-STQMWFEESA-N 2 1 242.363 0.459 10 0 BCAEMP CCC[NH2+][C@H]1CCN(C[C@H]2CC[N@@H+](C)C2)C1=O ZINC000049648822 169292075 /nfs/dbraw/zinc/29/20/75/169292075.db2.gz ZBNHEXZLVVQNSO-RYUDHWBXSA-N 2 1 239.363 0.539 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000053245770 169386820 /nfs/dbraw/zinc/38/68/20/169386820.db2.gz IOSUTWPLSFBVIF-WDEREUQCSA-N 2 1 227.352 0.666 10 0 BCAEMP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C(C)C ZINC000054133643 169389344 /nfs/dbraw/zinc/38/93/44/169389344.db2.gz UUYWYCUYTQQMEN-SNVBAGLBSA-N 2 1 215.341 0.570 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000132379670 384185059 /nfs/dbraw/zinc/18/50/59/384185059.db2.gz LEQVYWQQKMCVNZ-IUCAKERBSA-N 2 1 200.282 0.219 10 0 BCAEMP CC[C@@H]([NH3+])CNc1cc[nH+]c(N(C)C)n1 ZINC000082924394 384275993 /nfs/dbraw/zinc/27/59/93/384275993.db2.gz HMVIKMJBTWMBRV-MRVPVSSYSA-N 2 1 209.297 0.692 10 0 BCAEMP C[NH2+]CCC[N@@H+](C)CC1(O)CCOCC1 ZINC000167208468 384355855 /nfs/dbraw/zinc/35/58/55/384355855.db2.gz BJCWDOZDHAAMNT-UHFFFAOYSA-N 2 1 216.325 0.069 10 0 BCAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CO1 ZINC000402200740 384570315 /nfs/dbraw/zinc/57/03/15/384570315.db2.gz GUUAFCFVKMXYLZ-UPJWGTAASA-N 2 1 242.363 0.600 10 0 BCAEMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000100279346 384631999 /nfs/dbraw/zinc/63/19/99/384631999.db2.gz RRDGDEYDSHWRTM-OLZOCXBDSA-N 2 1 220.316 0.828 10 0 BCAEMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1O ZINC000076648385 384698094 /nfs/dbraw/zinc/69/80/94/384698094.db2.gz RRDGDEYDSHWRTM-QWHCGFSZSA-N 2 1 220.316 0.828 10 0 BCAEMP COC(=O)CCCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327210 384764450 /nfs/dbraw/zinc/76/44/50/384764450.db2.gz SLWOVJPURIINBS-QWRGUYRKSA-N 2 1 228.336 0.856 10 0 BCAEMP COC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126916701 384829169 /nfs/dbraw/zinc/82/91/69/384829169.db2.gz MKLMWHYCKQSZJE-DTWKUNHWSA-N 2 1 200.282 0.219 10 0 BCAEMP CON1CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000566229932 384952905 /nfs/dbraw/zinc/95/29/05/384952905.db2.gz URXWYEAILNDPTL-GFCCVEGCSA-N 2 1 241.379 0.944 10 0 BCAEMP CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC1 ZINC000226397454 385009150 /nfs/dbraw/zinc/00/91/50/385009150.db2.gz YQUGFYNPDLLFBD-WDEREUQCSA-N 2 1 239.363 0.714 10 0 BCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000157214210 385114819 /nfs/dbraw/zinc/11/48/19/385114819.db2.gz QKSVAGYOOWWSCE-VXGBXAGGSA-N 2 1 239.363 0.729 10 0 BCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCO)CC1 ZINC000177710531 385098436 /nfs/dbraw/zinc/09/84/36/385098436.db2.gz UAHLEMSLIYKXHQ-LLVKDONJSA-N 2 1 230.352 0.003 10 0 BCAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCOC1)C2 ZINC000308985544 385325549 /nfs/dbraw/zinc/32/55/49/385325549.db2.gz JNLXZHVXHJFXKC-NXEZZACHSA-N 2 1 207.277 0.576 10 0 BCAEMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000257771881 385494492 /nfs/dbraw/zinc/49/44/92/385494492.db2.gz OMGJTPSMIVSZIR-MNOVXSKESA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309454705 385592402 /nfs/dbraw/zinc/59/24/02/385592402.db2.gz QQNUBSUUHICSOG-MVWJERBFSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309454705 385592405 /nfs/dbraw/zinc/59/24/05/385592405.db2.gz QQNUBSUUHICSOG-MVWJERBFSA-N 2 1 228.336 0.209 10 0 BCAEMP C[C@@H]1[N@@H+](Cc2ccccc2)CC[C@]12C[NH+]=C(N)N2 ZINC000307582475 386737764 /nfs/dbraw/zinc/73/77/64/386737764.db2.gz VEAQIRNLMVPVIR-FZMZJTMJSA-N 2 1 244.342 0.938 10 0 BCAEMP C[N@@H+]1CCO[C@H](CSC2C[NH2+]C2)C1 ZINC000306576193 387437857 /nfs/dbraw/zinc/43/78/57/387437857.db2.gz KETYZAWGDULRJT-QMMMGPOBSA-N 2 1 202.323 0.022 10 0 BCAEMP C[N@H+]1CCO[C@H](CSC2C[NH2+]C2)C1 ZINC000306576193 387437861 /nfs/dbraw/zinc/43/78/61/387437861.db2.gz KETYZAWGDULRJT-QMMMGPOBSA-N 2 1 202.323 0.022 10 0 BCAEMP c1cn2c(n1)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000084385811 388078001 /nfs/dbraw/zinc/07/80/01/388078001.db2.gz BTDDVUQREBLIFO-LLVKDONJSA-N 2 1 220.320 0.698 10 0 BCAEMP C[NH2+]C[C@@H]1CCCN1c1cc[nH+]c(N(C)C)n1 ZINC000085432505 388088171 /nfs/dbraw/zinc/08/81/71/388088171.db2.gz NZNZCKKDFZJTLR-JTQLQIEISA-N 2 1 235.335 0.731 10 0 BCAEMP C(C1CC[NH2+]CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932590 388111304 /nfs/dbraw/zinc/11/13/04/388111304.db2.gz SYBBDNJPGXXKPJ-CYBMUJFWSA-N 2 1 223.364 0.766 10 0 BCAEMP C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000166162351 388254516 /nfs/dbraw/zinc/25/45/16/388254516.db2.gz CIEBQBLPCMQONQ-QJPTWQEYSA-N 2 1 212.337 0.689 10 0 BCAEMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)[NH+](C)C ZINC000164061737 388373713 /nfs/dbraw/zinc/37/37/13/388373713.db2.gz AAYMFRQMVTVEJG-NEPJUHHUSA-N 2 1 241.379 0.927 10 0 BCAEMP COC[C@@H]1CC[N@H+]1Cc1ccnc(N)c1 ZINC000293551327 388388815 /nfs/dbraw/zinc/38/88/15/388388815.db2.gz LERXNVXCBAWEJA-JTQLQIEISA-N 2 1 207.277 0.885 10 0 BCAEMP COC[C@@H]1CCN1Cc1ccnc(N)c1 ZINC000293551327 388388818 /nfs/dbraw/zinc/38/88/18/388388818.db2.gz LERXNVXCBAWEJA-JTQLQIEISA-N 2 1 207.277 0.885 10 0 BCAEMP C[C@@]1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000079517449 388538525 /nfs/dbraw/zinc/53/85/25/388538525.db2.gz PSIFQVKECNDDPM-YPMHNXCESA-N 2 1 237.347 0.435 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]12 ZINC000261551851 388643545 /nfs/dbraw/zinc/64/35/45/388643545.db2.gz MKVINDAILPDHFN-GRYCIOLGSA-N 2 1 237.347 0.182 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]12 ZINC000261551851 388643550 /nfs/dbraw/zinc/64/35/50/388643550.db2.gz MKVINDAILPDHFN-GRYCIOLGSA-N 2 1 237.347 0.182 10 0 BCAEMP COC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000226344894 388716055 /nfs/dbraw/zinc/71/60/55/388716055.db2.gz DAIZKMVHNKJLOH-ZJUUUORDSA-N 2 1 214.309 0.609 10 0 BCAEMP C[C@@H](NCC[N@H+]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400464280 533393584 /nfs/dbraw/zinc/39/35/84/533393584.db2.gz SLRYDIYLQXXCGW-CHWSQXEVSA-N 2 1 223.364 0.836 10 0 BCAEMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000400464280 533393585 /nfs/dbraw/zinc/39/35/85/533393585.db2.gz SLRYDIYLQXXCGW-CHWSQXEVSA-N 2 1 223.364 0.836 10 0 BCAEMP [NH3+]CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037712849 132344996 /nfs/dbraw/zinc/34/49/96/132344996.db2.gz IWPDUMACKRZZQT-UHFFFAOYSA-N 2 1 220.320 0.599 10 0 BCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC[N@H+]1C ZINC000252175894 135085324 /nfs/dbraw/zinc/08/53/24/135085324.db2.gz RZJIMMLDNPRCAC-WYUUTHIRSA-N 2 1 239.363 0.713 10 0 BCAEMP [NH3+]C[C@@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000086832920 135097655 /nfs/dbraw/zinc/09/76/55/135097655.db2.gz PXISVXDNODASLX-MRVPVSSYSA-N 2 1 227.695 0.899 10 0 BCAEMP COC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253183477 135123314 /nfs/dbraw/zinc/12/33/14/135123314.db2.gz GNXUJJRGRMOLOV-NXEZZACHSA-N 2 1 214.309 0.466 10 0 BCAEMP Cc1ccc(F)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263229874 135125859 /nfs/dbraw/zinc/12/58/59/135125859.db2.gz NIALJYMRLHUUAO-AAEUAGOBSA-N 2 1 238.306 0.804 10 0 BCAEMP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H]1O ZINC000261545438 135147854 /nfs/dbraw/zinc/14/78/54/135147854.db2.gz JZOBFWKSMRUWJX-GHMZBOCLSA-N 2 1 212.337 0.689 10 0 BCAEMP C[C@@H]1CCCN(Cc2noc(C[NH3+])n2)C1 ZINC000261530640 135158376 /nfs/dbraw/zinc/15/83/76/135158376.db2.gz CXCGBJBXWCUJOQ-MRVPVSSYSA-N 2 1 210.281 0.760 10 0 BCAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H]1CO ZINC000261531167 135160139 /nfs/dbraw/zinc/16/01/39/135160139.db2.gz FLNGXDWUDTUUPW-WOPDTQHZSA-N 2 1 212.337 0.689 10 0 BCAEMP OCC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261531679 135160497 /nfs/dbraw/zinc/16/04/97/135160497.db2.gz HMANIGICZFCQKF-NEPJUHHUSA-N 2 1 212.337 0.833 10 0 BCAEMP OCC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261531682 135160923 /nfs/dbraw/zinc/16/09/23/135160923.db2.gz HMANIGICZFCQKF-VXGBXAGGSA-N 2 1 212.337 0.833 10 0 BCAEMP CCN(CC)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261540702 135180295 /nfs/dbraw/zinc/18/02/95/135180295.db2.gz AIXFKEBIGHAMGV-TUAOUCFPSA-N 2 1 239.363 0.524 10 0 BCAEMP OC[C@@H]1C[C@@H](F)C[N@H+]1CC1CC[NH2+]CC1 ZINC000261542062 135182787 /nfs/dbraw/zinc/18/27/87/135182787.db2.gz GLUUTHWRLKSJGJ-MNOVXSKESA-N 2 1 216.300 0.391 10 0 BCAEMP CC(C)CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261543608 135184903 /nfs/dbraw/zinc/18/49/03/135184903.db2.gz DBXUXCPKPZNTFR-SDDRHHMPSA-N 2 1 239.363 0.428 10 0 BCAEMP CC(C)CNC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261543608 135184904 /nfs/dbraw/zinc/18/49/04/135184904.db2.gz DBXUXCPKPZNTFR-SDDRHHMPSA-N 2 1 239.363 0.428 10 0 BCAEMP C[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261544059 135185487 /nfs/dbraw/zinc/18/54/87/135185487.db2.gz DNYXMTAJWHBGDA-GFCCVEGCSA-N 2 1 239.363 0.683 10 0 BCAEMP Cn1cc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000261544959 135186098 /nfs/dbraw/zinc/18/60/98/135186098.db2.gz FKADFEQQHXRNIB-STQMWFEESA-N 2 1 234.347 0.504 10 0 BCAEMP CC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564566 135207139 /nfs/dbraw/zinc/20/71/39/135207139.db2.gz XSUMMJXTPNYYSM-HBNTYKKESA-N 2 1 239.363 0.570 10 0 BCAEMP CC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261564566 135207140 /nfs/dbraw/zinc/20/71/40/135207140.db2.gz XSUMMJXTPNYYSM-HBNTYKKESA-N 2 1 239.363 0.570 10 0 BCAEMP CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084310662 135207357 /nfs/dbraw/zinc/20/73/57/135207357.db2.gz FUSGKTWKCVFBPD-GHMZBOCLSA-N 2 1 227.352 0.429 10 0 BCAEMP CN(C)c1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc[nH+]1 ZINC000261569831 135211880 /nfs/dbraw/zinc/21/18/80/135211880.db2.gz KBKISVLNFSBBET-WDEREUQCSA-N 2 1 247.346 0.731 10 0 BCAEMP C([C@@H]1CCCOC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261571632 135214170 /nfs/dbraw/zinc/21/41/70/135214170.db2.gz HQDKIZCEERFYFY-YNEHKIRRSA-N 2 1 224.348 0.954 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000261583364 135224228 /nfs/dbraw/zinc/22/42/28/135224228.db2.gz OYJSFOZLWHZISI-DVVUODLYSA-N 2 1 206.293 0.579 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]12 ZINC000261583364 135224230 /nfs/dbraw/zinc/22/42/30/135224230.db2.gz OYJSFOZLWHZISI-DVVUODLYSA-N 2 1 206.293 0.579 10 0 BCAEMP CC(C)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261596143 135236255 /nfs/dbraw/zinc/23/62/55/135236255.db2.gz YNXGIQMLHPGWIZ-AXFHLTTASA-N 2 1 225.336 0.180 10 0 BCAEMP CC(C)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261596143 135236257 /nfs/dbraw/zinc/23/62/57/135236257.db2.gz YNXGIQMLHPGWIZ-AXFHLTTASA-N 2 1 225.336 0.180 10 0 BCAEMP C[N@@H+](CCNC(=O)C1C[NH2+]C1)C1CCCC1 ZINC000084412131 135247897 /nfs/dbraw/zinc/24/78/97/135247897.db2.gz HKDMIYLKKGRLQZ-UHFFFAOYSA-N 2 1 225.336 0.196 10 0 BCAEMP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261757055 135250630 /nfs/dbraw/zinc/25/06/30/135250630.db2.gz NCMMTLMQPLPKOD-SDDRHHMPSA-N 2 1 239.363 0.666 10 0 BCAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261757055 135250632 /nfs/dbraw/zinc/25/06/32/135250632.db2.gz NCMMTLMQPLPKOD-SDDRHHMPSA-N 2 1 239.363 0.666 10 0 BCAEMP C[C@]1(C[N@H+]2CCC[C@@H](n3cncn3)C2)CC[NH2+]C1 ZINC000261917384 135262896 /nfs/dbraw/zinc/26/28/96/135262896.db2.gz ZTOOVOVYQQBBAB-OLZOCXBDSA-N 2 1 249.362 0.915 10 0 BCAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]12 ZINC000262124649 135280390 /nfs/dbraw/zinc/28/03/90/135280390.db2.gz MQSLBSXXDOMFDP-OPRDCNLKSA-N 2 1 234.290 0.937 10 0 BCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2C[NH2+]C2)[C@H](C)C1 ZINC000262178762 135284017 /nfs/dbraw/zinc/28/40/17/135284017.db2.gz DIBFGQZIXWSSSF-ZYHUDNBSSA-N 2 1 239.363 0.395 10 0 BCAEMP Cc1[nH+]ccn1CCCN(C)C(=O)C1C[NH2+]C1 ZINC000262234980 135286010 /nfs/dbraw/zinc/28/60/10/135286010.db2.gz MWSDJKXOFCNEHK-UHFFFAOYSA-N 2 1 236.319 0.259 10 0 BCAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000262249961 135288102 /nfs/dbraw/zinc/28/81/02/135288102.db2.gz LLVJVOZEXYCHNM-SKDRFNHKSA-N 2 1 249.314 0.461 10 0 BCAEMP Oc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263174468 135337343 /nfs/dbraw/zinc/33/73/43/135337343.db2.gz GARWVZBPYGMWOH-JQWIXIFHSA-N 2 1 222.288 0.062 10 0 BCAEMP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263182082 135338031 /nfs/dbraw/zinc/33/80/31/135338031.db2.gz GWMKLNWEEYYIMI-NEPJUHHUSA-N 2 1 221.304 0.060 10 0 BCAEMP COc1ccsc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263200601 135339585 /nfs/dbraw/zinc/33/95/85/135339585.db2.gz IYSVHBUHDVGXGM-RKDXNWHRSA-N 2 1 242.344 0.427 10 0 BCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000263216206 135340420 /nfs/dbraw/zinc/34/04/20/135340420.db2.gz KXRXQEKXLPUISP-ZYHUDNBSSA-N 2 1 224.279 0.496 10 0 BCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000263225311 135340712 /nfs/dbraw/zinc/34/07/12/135340712.db2.gz MSLMBJAKIOWNRO-SKDRFNHKSA-N 2 1 242.269 0.635 10 0 BCAEMP COc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224160 135340915 /nfs/dbraw/zinc/34/09/15/135340915.db2.gz MNVLKWBBGGSPTO-AAEUAGOBSA-N 2 1 236.315 0.365 10 0 BCAEMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1CC[NH3+] ZINC000383405768 398018559 /nfs/dbraw/zinc/01/85/59/398018559.db2.gz AGKCUIXWDAOWOX-RYUDHWBXSA-N 2 1 211.353 0.894 10 0 BCAEMP C[C@@H]1COC[C@H](C)[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255579 409552334 /nfs/dbraw/zinc/55/23/34/409552334.db2.gz FDSDYXLKSHTQQE-GRYCIOLGSA-N 2 1 240.347 0.617 10 0 BCAEMP CC(C)([NH3+])CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000070087629 410590003 /nfs/dbraw/zinc/59/00/03/410590003.db2.gz NOEXXXQZQZASFR-LLVKDONJSA-N 2 1 239.363 0.811 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]C2)C1 ZINC000665235803 410726879 /nfs/dbraw/zinc/72/68/79/410726879.db2.gz AMLUOQOFPZVOQO-WDEREUQCSA-N 2 1 211.353 0.811 10 0 BCAEMP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CC[NH2+]C2)C1 ZINC000665235800 410726995 /nfs/dbraw/zinc/72/69/95/410726995.db2.gz AMLUOQOFPZVOQO-GHMZBOCLSA-N 2 1 211.353 0.811 10 0 BCAEMP CC(C)[NH2+][C@@H](CC[N@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104426962 167133002 /nfs/dbraw/zinc/13/30/02/167133002.db2.gz CSSJMAGMQVRFQI-SRVKXCTJSA-N 2 1 241.379 0.816 10 0 BCAEMP CC(C)[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1C[C@@H]1C)C(N)=O ZINC000104426962 167133005 /nfs/dbraw/zinc/13/30/05/167133005.db2.gz CSSJMAGMQVRFQI-SRVKXCTJSA-N 2 1 241.379 0.816 10 0 BCAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000401741756 411310831 /nfs/dbraw/zinc/31/08/31/411310831.db2.gz HIEIVJJGHRHCDO-DCAQKATOSA-N 2 1 214.353 0.981 10 0 BCAEMP CC1CCC(CO)([NH2+]C[C@@H](O)C[NH+](C)C)CC1 ZINC000053118278 168156660 /nfs/dbraw/zinc/15/66/60/168156660.db2.gz RIQRNTZJBDQJFL-OTTFEQOBSA-N 2 1 244.379 0.440 10 0 BCAEMP CC[N@H+]1CC[C@@H](CN2CC[NH2+]C[C@H](C)C2)C1 ZINC000049662193 170007021 /nfs/dbraw/zinc/00/70/21/170007021.db2.gz YYAYRRAPMYCPLC-QWHCGFSZSA-N 2 1 225.380 0.870 10 0 BCAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@@H]2C)C1 ZINC000104209672 170008613 /nfs/dbraw/zinc/00/86/13/170008613.db2.gz VFBGFOKTEHXGNX-SDDRHHMPSA-N 2 1 239.363 0.300 10 0 BCAEMP CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C[C@@H]1C ZINC000073655783 170010990 /nfs/dbraw/zinc/01/09/90/170010990.db2.gz ITGHNYQTPUYFDE-NWDGAFQWSA-N 2 1 211.353 0.764 10 0 BCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000161967168 170014920 /nfs/dbraw/zinc/01/49/20/170014920.db2.gz IUOBWCFAUKOWBT-NEPJUHHUSA-N 2 1 239.363 0.444 10 0 BCAEMP CC[N@@H+]1CC[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC000049304989 170015717 /nfs/dbraw/zinc/01/57/17/170015717.db2.gz YDJREUKBFQTTRE-LLVKDONJSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[N@H+]1CC[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC000049304989 170015719 /nfs/dbraw/zinc/01/57/19/170015719.db2.gz YDJREUKBFQTTRE-LLVKDONJSA-N 2 1 239.363 0.539 10 0 BCAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000037893953 170015843 /nfs/dbraw/zinc/01/58/43/170015843.db2.gz MGINAPIMVYWCBG-OLZOCXBDSA-N 2 1 244.379 0.704 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794712 170088443 /nfs/dbraw/zinc/08/84/43/170088443.db2.gz CLGLQNBIMAWYHA-QJPTWQEYSA-N 2 1 241.379 0.831 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036794712 170088445 /nfs/dbraw/zinc/08/84/45/170088445.db2.gz CLGLQNBIMAWYHA-QJPTWQEYSA-N 2 1 241.379 0.831 10 0 BCAEMP CCNC(=O)[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904906 170088519 /nfs/dbraw/zinc/08/85/19/170088519.db2.gz AOKWZMJKEHFTRH-GHMZBOCLSA-N 2 1 239.363 0.585 10 0 BCAEMP CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904906 170088521 /nfs/dbraw/zinc/08/85/21/170088521.db2.gz AOKWZMJKEHFTRH-GHMZBOCLSA-N 2 1 239.363 0.585 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000036794713 170095300 /nfs/dbraw/zinc/09/53/00/170095300.db2.gz CLGLQNBIMAWYHA-SDDRHHMPSA-N 2 1 241.379 0.831 10 0 BCAEMP CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000036794713 170095302 /nfs/dbraw/zinc/09/53/02/170095302.db2.gz CLGLQNBIMAWYHA-SDDRHHMPSA-N 2 1 241.379 0.831 10 0 BCAEMP CC[NH2+]CC1(C[N@@H+](CC)CCO)CCOCC1 ZINC000052182121 170111328 /nfs/dbraw/zinc/11/13/28/170111328.db2.gz JQFVCJBJSAWXJN-UHFFFAOYSA-N 2 1 244.379 0.707 10 0 BCAEMP CC[NH2+]CCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942767 170111855 /nfs/dbraw/zinc/11/18/55/170111855.db2.gz JGSLDCXRNJIJTH-GFCCVEGCSA-N 2 1 239.363 0.683 10 0 BCAEMP CC[NH2+]C[C@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062940398 170122063 /nfs/dbraw/zinc/12/20/63/170122063.db2.gz PDDBDHWZLXCGPM-OLZOCXBDSA-N 2 1 241.379 0.127 10 0 BCAEMP CC[NH2+]C[C@H]1CC[C@@H](CN2CC[NH+](C)CC2)O1 ZINC000052379522 170123497 /nfs/dbraw/zinc/12/34/97/170123497.db2.gz BIYXDDMXMANTNY-OLZOCXBDSA-N 2 1 241.379 0.391 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@H]2CC[N@H+]3CCC[C@H]23)C1=O ZINC000049660486 170152736 /nfs/dbraw/zinc/15/27/36/170152736.db2.gz DWLLEBLXDUYOHL-UTUOFQBUSA-N 2 1 237.347 0.434 10 0 BCAEMP CC[NH2+][C@@H]1CCN([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000049648941 170153037 /nfs/dbraw/zinc/15/30/37/170153037.db2.gz XSDAOKGSQIFBNM-GHMZBOCLSA-N 2 1 225.336 0.291 10 0 BCAEMP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000037485139 170167728 /nfs/dbraw/zinc/16/77/28/170167728.db2.gz RUMNIJOIZVGFIC-NEPJUHHUSA-N 2 1 211.353 0.622 10 0 BCAEMP CCOCCC[N@@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886683 170376319 /nfs/dbraw/zinc/37/63/19/170376319.db2.gz FCXBVFOTDAWDCR-NSHDSACASA-N 2 1 230.352 0.851 10 0 BCAEMP CCOCCC[N@H+]1C[C@H](C[NH3+])OC(C)(C)C1 ZINC000011886683 170376321 /nfs/dbraw/zinc/37/63/21/170376321.db2.gz FCXBVFOTDAWDCR-NSHDSACASA-N 2 1 230.352 0.851 10 0 BCAEMP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000420176651 411701983 /nfs/dbraw/zinc/70/19/83/411701983.db2.gz QNCDDGBGTRTENO-SECBINFHSA-N 2 1 231.303 1.369 10 0 BCAEMP CC[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[N@H+]1C ZINC000104141668 171063326 /nfs/dbraw/zinc/06/33/26/171063326.db2.gz BOINPFICDWTKMZ-NWDGAFQWSA-N 2 1 239.363 0.681 10 0 BCAEMP C[C@H](C[NH3+])CNc1[nH+]cnc2[nH]ccc21 ZINC000420216872 412196342 /nfs/dbraw/zinc/19/63/42/412196342.db2.gz NGGXTLYJQBFVME-SSDOTTSWSA-N 2 1 205.265 0.965 10 0 BCAEMP CN(C)c1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000382408877 412200013 /nfs/dbraw/zinc/20/00/13/412200013.db2.gz CNSBVZUKQDLONI-NXEZZACHSA-N 2 1 235.335 1.082 10 0 BCAEMP CCc1[nH+]ccn1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000043232933 172028615 /nfs/dbraw/zinc/02/86/15/172028615.db2.gz ICJPDBAJUKEDDE-JTQLQIEISA-N 2 1 219.292 0.727 10 0 BCAEMP CCc1nn(C)cc1[C@H]1[C@H](C[NH3+])CC[N@H+]1C ZINC000083040063 172044228 /nfs/dbraw/zinc/04/42/28/172044228.db2.gz JWTQRFVPBQQKOK-JOYOIKCWSA-N 2 1 222.336 0.934 10 0 BCAEMP CCn1cc[nH+]c1N(C)CCN1CC[NH2+]CC1 ZINC000071151081 172226715 /nfs/dbraw/zinc/22/67/15/172226715.db2.gz IANCCHRJUVMJII-UHFFFAOYSA-N 2 1 237.351 0.244 10 0 BCAEMP C[N@H+]1CCCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000044560784 173009212 /nfs/dbraw/zinc/00/92/12/173009212.db2.gz KCQSVVHSCMRDNI-NEPJUHHUSA-N 2 1 211.353 0.812 10 0 BCAEMP C[N@H+]1CCCN(C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000020260675 173014175 /nfs/dbraw/zinc/01/41/75/173014175.db2.gz YGWIFMXGPCNIKL-LLVKDONJSA-N 2 1 213.369 0.997 10 0 BCAEMP C[N@H+]1CCCN(C2(C[NH3+])CCOCC2)CC1 ZINC000036304863 173014971 /nfs/dbraw/zinc/01/49/71/173014971.db2.gz IKPCNWBNSYLZTH-UHFFFAOYSA-N 2 1 227.352 0.132 10 0 BCAEMP C[N@H+]1CCCN([C@](C)(C[NH3+])C2CC2)CC1 ZINC000035659510 173015911 /nfs/dbraw/zinc/01/59/11/173015911.db2.gz WIGIRIZXHYBKMM-GFCCVEGCSA-N 2 1 211.353 0.751 10 0 BCAEMP CN(C(=O)C1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245675 173044602 /nfs/dbraw/zinc/04/46/02/173044602.db2.gz VMASHTYYXCOVKU-LBPRGKRZSA-N 2 1 239.363 0.539 10 0 BCAEMP C[NH+]1CCN(C(=O)C2(C)CC[NH2+]CC2)CC1 ZINC000014984832 173063493 /nfs/dbraw/zinc/06/34/93/173063493.db2.gz XEYVOQVXFWAUFH-UHFFFAOYSA-N 2 1 225.336 0.150 10 0 BCAEMP C[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037481601 173064232 /nfs/dbraw/zinc/06/42/32/173064232.db2.gz KMRXAVLSAPPDLP-UHFFFAOYSA-N 2 1 225.336 0.278 10 0 BCAEMP C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055122117 173067940 /nfs/dbraw/zinc/06/79/40/173067940.db2.gz RBNRVHGFKGSNFS-VXGBXAGGSA-N 2 1 239.363 0.668 10 0 BCAEMP C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](CC[NH3+])C1 ZINC000096986181 173069358 /nfs/dbraw/zinc/06/93/58/173069358.db2.gz HCKZOVMFOPWRJL-SNVBAGLBSA-N 2 1 243.351 0.886 10 0 BCAEMP C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](CC[NH3+])C1 ZINC000096986181 173069361 /nfs/dbraw/zinc/06/93/61/173069361.db2.gz HCKZOVMFOPWRJL-SNVBAGLBSA-N 2 1 243.351 0.886 10 0 BCAEMP C[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000055085915 173071266 /nfs/dbraw/zinc/07/12/66/173071266.db2.gz FOUUSIWQWHGEGE-WDEREUQCSA-N 2 1 225.336 0.278 10 0 BCAEMP C[NH+]1CCN(C[C@H](O)c2ccc(C[NH3+])cc2)CC1 ZINC000037049791 173084750 /nfs/dbraw/zinc/08/47/50/173084750.db2.gz BDCWPWGFNKPARB-AWEZNQCLSA-N 2 1 249.358 0.426 10 0 BCAEMP C[NH+]1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070542499 173086608 /nfs/dbraw/zinc/08/66/08/173086608.db2.gz NVGZMFDXKLKGBV-UHFFFAOYSA-N 2 1 233.359 0.935 10 0 BCAEMP C[NH+]1CCN(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000082698201 173091385 /nfs/dbraw/zinc/09/13/85/173091385.db2.gz GIGRHTDXYJXMRM-UHFFFAOYSA-N 2 1 248.330 0.038 10 0 BCAEMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000044513060 173109405 /nfs/dbraw/zinc/10/94/05/173109405.db2.gz CFYMBTPWQQKQBY-LLVKDONJSA-N 2 1 225.336 0.135 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000163515864 173111464 /nfs/dbraw/zinc/11/14/64/173111464.db2.gz WVJOJSKHDDFVCR-GHMZBOCLSA-N 2 1 225.336 0.149 10 0 BCAEMP CN(C[C@@H]1CC[N@@H+](C)C1)C[C@]1(C)CC[NH2+]C1 ZINC000070823408 173111823 /nfs/dbraw/zinc/11/18/23/173111823.db2.gz IKDZFJZFLFTRCL-CHWSQXEVSA-N 3 1 225.380 0.870 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000052172171 173115410 /nfs/dbraw/zinc/11/54/10/173115410.db2.gz OHHGLMSZROODOZ-LBPRGKRZSA-N 2 1 212.337 0.954 10 0 BCAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COC(C)(C)C)C1 ZINC000037894106 173115436 /nfs/dbraw/zinc/11/54/36/173115436.db2.gz DYDAWUGIQFYDRI-NWDGAFQWSA-N 2 1 244.379 0.704 10 0 BCAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCOC(C)(C)C2)C1 ZINC000061990310 173137022 /nfs/dbraw/zinc/13/70/22/173137022.db2.gz SXJMLHRJTMUZEP-LBPRGKRZSA-N 2 1 227.352 0.130 10 0 BCAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250617511 173144591 /nfs/dbraw/zinc/14/45/91/173144591.db2.gz OIVYPAYHUPETOO-GRYCIOLGSA-N 2 1 239.363 0.572 10 0 BCAEMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC(=O)NC1CC1)C2 ZINC000036782375 173207141 /nfs/dbraw/zinc/20/71/41/173207141.db2.gz OILNQSUFHJEROX-YOGCLGLASA-N 2 1 237.347 0.480 10 0 BCAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC(=O)NC1CC1)C2 ZINC000036782375 173207144 /nfs/dbraw/zinc/20/71/44/173207144.db2.gz OILNQSUFHJEROX-YOGCLGLASA-N 2 1 237.347 0.480 10 0 BCAEMP CNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000051759045 173260475 /nfs/dbraw/zinc/26/04/75/173260475.db2.gz RJBXENKCEWWTPF-GHMZBOCLSA-N 2 1 225.336 0.339 10 0 BCAEMP CNC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000051759045 173260477 /nfs/dbraw/zinc/26/04/77/173260477.db2.gz RJBXENKCEWWTPF-GHMZBOCLSA-N 2 1 225.336 0.339 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000061318243 173318394 /nfs/dbraw/zinc/31/83/94/173318394.db2.gz VCESSNMAIXIQMP-VIFPVBQESA-N 2 1 213.325 0.195 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000061300862 173318500 /nfs/dbraw/zinc/31/85/00/173318500.db2.gz GXWSLIRNPYJSFU-GHMZBOCLSA-N 2 1 239.363 0.727 10 0 BCAEMP C[NH2+]C(C)(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000061300605 173318558 /nfs/dbraw/zinc/31/85/58/173318558.db2.gz IGXFZZFEGZZMIX-VHSXEESVSA-N 2 1 225.336 0.337 10 0 BCAEMP C[NH2+]C1CCN(C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037485130 173323350 /nfs/dbraw/zinc/32/33/50/173323350.db2.gz VIAOTWDHEZTKLE-LLVKDONJSA-N 2 1 211.353 0.622 10 0 BCAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N(C)C ZINC000054629036 173324370 /nfs/dbraw/zinc/32/43/70/173324370.db2.gz MMYCEKBYWUXCDX-YOGCLGLASA-N 2 1 239.363 0.680 10 0 BCAEMP C[NH2+]CC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000077388881 173358802 /nfs/dbraw/zinc/35/88/02/173358802.db2.gz OWKWGDZYDCDCDI-ZDUSSCGKSA-N 2 1 241.379 0.250 10 0 BCAEMP C[NH2+]C[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000019863967 173365062 /nfs/dbraw/zinc/36/50/62/173365062.db2.gz DDDGBYUIYJBQMJ-LLVKDONJSA-N 2 1 200.326 0.831 10 0 BCAEMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000040601248 173379025 /nfs/dbraw/zinc/37/90/25/173379025.db2.gz AAONJXIGJRXMGV-ZJUUUORDSA-N 2 1 227.308 0.026 10 0 BCAEMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CNC(=O)O2)C1 ZINC000040601248 173379027 /nfs/dbraw/zinc/37/90/27/173379027.db2.gz AAONJXIGJRXMGV-ZJUUUORDSA-N 2 1 227.308 0.026 10 0 BCAEMP C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC000054900296 173392131 /nfs/dbraw/zinc/39/21/31/173392131.db2.gz GAKUKLCSANEELB-UHFFFAOYSA-N 2 1 226.349 0.614 10 0 BCAEMP C[NH2+]Cc1coc(CN2CC[NH+](C)CC2)c1 ZINC000052379442 173392878 /nfs/dbraw/zinc/39/28/78/173392878.db2.gz GHQGHTPRWGVZSL-UHFFFAOYSA-N 2 1 223.320 0.746 10 0 BCAEMP COCCC[N@@H+](C)CCCC[C@](C)([NH3+])C(N)=O ZINC000062034968 174215854 /nfs/dbraw/zinc/21/58/54/174215854.db2.gz ZNTHUKZEYAMXKQ-LBPRGKRZSA-N 2 1 245.367 0.328 10 0 BCAEMP COCC[N@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000062568752 174307298 /nfs/dbraw/zinc/30/72/98/174307298.db2.gz KHRWRWGDBKROCM-NSHDSACASA-N 2 1 200.326 0.953 10 0 BCAEMP COCC[NH2+]CCN(C)CCn1cc[nH+]c1C ZINC000042428084 174332496 /nfs/dbraw/zinc/33/24/96/174332496.db2.gz HRSMRAFAUGCJDT-UHFFFAOYSA-N 2 1 240.351 0.359 10 0 BCAEMP C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CC[C@@H]1[NH3+] ZINC000044518799 176286462 /nfs/dbraw/zinc/28/64/62/176286462.db2.gz KBBSEZYSBJHFHU-YPMHNXCESA-N 3 1 225.380 0.997 10 0 BCAEMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000147681877 176286573 /nfs/dbraw/zinc/28/65/73/176286573.db2.gz CVOYFADXKHVZAL-YPMHNXCESA-N 2 1 225.380 0.868 10 0 BCAEMP C[C@@H]1C[N@@H+](CCOC2CC[NH2+]CC2)CCCO1 ZINC000104385495 176292116 /nfs/dbraw/zinc/29/21/16/176292116.db2.gz FEIPGNVTDOQEDW-GFCCVEGCSA-N 2 1 242.363 0.866 10 0 BCAEMP C[C@@H]1C[NH+](C[C@]2(C[NH3+])CCCOC2)C[C@@H](C)O1 ZINC000104321308 176302064 /nfs/dbraw/zinc/30/20/64/176302064.db2.gz DMZBRXGGVKEPRS-JHJVBQTASA-N 2 1 242.363 0.851 10 0 BCAEMP C[C@@H]1C[N@H+](Cc2cccnc2C(N)=[NH2+])CCCO1 ZINC000061918990 176307817 /nfs/dbraw/zinc/30/78/17/176307817.db2.gz QTUQZQVVIUMWRW-SNVBAGLBSA-N 2 1 248.330 0.976 10 0 BCAEMP C[C@@H]1C[N@@H+](Cc2cccnc2C(N)=[NH2+])CCCO1 ZINC000061918990 176307820 /nfs/dbraw/zinc/30/78/20/176307820.db2.gz 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ZINC000216154181 592011608 /nfs/dbraw/zinc/01/16/08/592011608.db2.gz SERSCWAWPJPKQL-NXEZZACHSA-N 2 1 235.335 0.716 10 0 BCAEMP [NH3+][C@H](CC1CC1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000302641477 592550402 /nfs/dbraw/zinc/55/04/02/592550402.db2.gz FZVWFYCIAZXCAJ-NWDGAFQWSA-N 2 1 237.347 0.420 10 0 BCAEMP CCN(CC)C(=O)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000161552762 632080375 /nfs/dbraw/zinc/08/03/75/632080375.db2.gz AYSRDMZONSYGEE-NSHDSACASA-N 2 1 227.352 0.587 10 0 BCAEMP CC[NH2+][C@](C)(Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928188 632765430 /nfs/dbraw/zinc/76/54/30/632765430.db2.gz INVXYXUWFUSCRK-LLVKDONJSA-N 2 1 224.308 0.353 10 0 BCAEMP C[NH2+][C@@](C)(CCn1c[nH+]c(C)c1C)C(N)=O ZINC000051928287 632766332 /nfs/dbraw/zinc/76/63/32/632766332.db2.gz GBSBIEYTUOGYLP-NSHDSACASA-N 2 1 224.308 0.353 10 0 BCAEMP C([C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000220563972 635127703 /nfs/dbraw/zinc/12/77/03/635127703.db2.gz OPYPZMJWNFVHMN-CHWSQXEVSA-N 2 1 239.363 0.145 10 0 BCAEMP C[N@H+]1CCC[C@H](CNC(=O)C2CC([NH3+])C2)C1 ZINC000258791185 635200310 /nfs/dbraw/zinc/20/03/10/635200310.db2.gz UWDMWCXBSKPXEB-KPPDAEKUSA-N 2 1 225.336 0.182 10 0 BCAEMP Cc1cc(NCCN2CCC([NH3+])CC2)nc(C)[nH+]1 ZINC000322162183 636810504 /nfs/dbraw/zinc/81/05/04/636810504.db2.gz JUMYPWOCIAFYBB-UHFFFAOYSA-N 2 1 249.362 0.928 10 0 BCAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C(C)C)C(N)=O ZINC000045430476 640556928 /nfs/dbraw/zinc/55/69/28/640556928.db2.gz VIDGAIDUZBURGV-SECBINFHSA-N 2 1 224.308 0.470 10 0 BCAEMP Cc1[nH+]ccn1CCCC[C@](C)([NH3+])C(N)=O ZINC000045432499 640557808 /nfs/dbraw/zinc/55/78/08/640557808.db2.gz MVRRQEXLISPETG-NSHDSACASA-N 2 1 224.308 0.565 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000226127000 640733070 /nfs/dbraw/zinc/73/30/70/640733070.db2.gz KKOWWNGBLGCSNA-WDEREUQCSA-N 2 1 216.325 0.053 10 0 BCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226396271 640760808 /nfs/dbraw/zinc/76/08/08/640760808.db2.gz OMWRWJZMLODALI-VXGBXAGGSA-N 2 1 241.379 0.975 10 0 BCAEMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000226758064 640792351 /nfs/dbraw/zinc/79/23/51/640792351.db2.gz WHUCAXXDZCOOFU-NSHDSACASA-N 2 1 242.367 0.477 10 0 BCAEMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000226758064 640792356 /nfs/dbraw/zinc/79/23/56/640792356.db2.gz WHUCAXXDZCOOFU-NSHDSACASA-N 2 1 242.367 0.477 10 0 BCAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227883270 640852707 /nfs/dbraw/zinc/85/27/07/640852707.db2.gz ZFILOQRBNMXUJX-YNEHKIRRSA-N 2 1 244.379 0.833 10 0 BCAEMP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000227910422 640853540 /nfs/dbraw/zinc/85/35/40/640853540.db2.gz BKFHEQHVSJSWIK-STQMWFEESA-N 2 1 244.379 0.705 10 0 BCAEMP CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228536245 640880332 /nfs/dbraw/zinc/88/03/32/640880332.db2.gz BBPIKBRIIUXGFV-NWDGAFQWSA-N 2 1 239.363 0.714 10 0 BCAEMP C[N@@H+](CCn1cccn1)[C@@H]1CCC[NH2+]CC1 ZINC000231668176 641191097 /nfs/dbraw/zinc/19/10/97/641191097.db2.gz QIQQEMCFJYNAPB-GFCCVEGCSA-N 2 1 222.336 0.957 10 0 BCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000159012892 641661420 /nfs/dbraw/zinc/66/14/20/641661420.db2.gz BLWPAGBMUAVNDH-RYUDHWBXSA-N 2 1 239.363 0.714 10 0 BCAEMP C[NH2+]C1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000069641098 642407972 /nfs/dbraw/zinc/40/79/72/642407972.db2.gz VNQHSZWTALMSPF-GFCCVEGCSA-N 2 1 230.352 0.456 10 0 BCAEMP C[NH2+]C1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000069641100 642888859 /nfs/dbraw/zinc/88/88/59/642888859.db2.gz VNQHSZWTALMSPF-LBPRGKRZSA-N 2 1 230.352 0.456 10 0 BCAEMP CC(C)[N@H+]1CCO[C@@H](COC2C[NH2+]C2)C1 ZINC000070649944 643054769 /nfs/dbraw/zinc/05/47/69/643054769.db2.gz FBXBITXUOKYMRG-LLVKDONJSA-N 2 1 214.309 0.084 10 0 BCAEMP CCCc1[nH+]ccn1C[C@@](C)([NH2+]C)C(N)=O ZINC000069964569 643452736 /nfs/dbraw/zinc/45/27/36/643452736.db2.gz ZKTOTVDURFMAES-LLVKDONJSA-N 2 1 224.308 0.299 10 0 BCAEMP CCc1[nH+]ccn1[C@H](C)C[C@](C)([NH3+])C(N)=O ZINC000082800564 643525263 /nfs/dbraw/zinc/52/52/63/643525263.db2.gz QLQCGWJPLUNQGY-KCJUWKMLSA-N 2 1 224.308 0.599 10 0 BCAEMP C([C@H]1CCC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932567 643644681 /nfs/dbraw/zinc/64/46/81/643644681.db2.gz CKOKYCJXPXMSEQ-VXGBXAGGSA-N 2 1 209.337 0.518 10 0 BCAEMP [NH3+][C@@H]1CCN(c2ccc3c([nH+]2)CCCC3)C[C@H]1O ZINC000082108383 644358867 /nfs/dbraw/zinc/35/88/67/644358867.db2.gz YLMWAANWHVIXME-DGCLKSJQSA-N 2 1 247.342 0.859 10 0 BCAEMP COC(=O)[C@](C)([NH3+])CCCn1cc[nH+]c1C ZINC000084507776 644425058 /nfs/dbraw/zinc/42/50/58/644425058.db2.gz IBQQUBHTJJFTOH-LLVKDONJSA-N 2 1 225.292 0.862 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000250593904 644769804 /nfs/dbraw/zinc/76/98/04/644769804.db2.gz WZTAZBCETYBBNF-QWHCGFSZSA-N 2 1 244.379 0.976 10 0 BCAEMP CCn1cc([C@@H]2CC[NH2+][C@@H](C[NH3+])C2)cn1 ZINC000757242823 644865468 /nfs/dbraw/zinc/86/54/68/644865468.db2.gz YWXXZIQFXJINRD-MWLCHTKSSA-N 2 1 208.309 0.697 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000252691553 644881206 /nfs/dbraw/zinc/88/12/06/644881206.db2.gz YJDFYXVLVXBONU-IJLUTSLNSA-N 2 1 230.352 0.584 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253194694 644943830 /nfs/dbraw/zinc/94/38/30/644943830.db2.gz QNBLOKYTRNKZCP-JHJVBQTASA-N 2 1 244.379 0.689 10 0 BCAEMP Cc1cnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000708863039 712201382 /nfs/dbraw/zinc/20/13/82/712201382.db2.gz SMUQBAASSMUHLO-ONGXEEELSA-N 2 1 220.320 0.812 10 0 BCAEMP Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000708863039 712201386 /nfs/dbraw/zinc/20/13/86/712201386.db2.gz SMUQBAASSMUHLO-ONGXEEELSA-N 2 1 220.320 0.812 10 0 BCAEMP CC(C)OC[C@H](O)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709017028 712205933 /nfs/dbraw/zinc/20/59/33/712205933.db2.gz VBBMVPWUEXTGQZ-CHWSQXEVSA-N 2 1 244.379 0.976 10 0 BCAEMP CC(C)OC[C@H](O)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709017028 712205935 /nfs/dbraw/zinc/20/59/35/712205935.db2.gz VBBMVPWUEXTGQZ-CHWSQXEVSA-N 2 1 244.379 0.976 10 0 BCAEMP CSC1CC([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000708290574 712185719 /nfs/dbraw/zinc/18/57/19/712185719.db2.gz NVEVYTKDDLOGSH-UHFFFAOYSA-N 2 1 244.404 0.927 10 0 BCAEMP COC1CC(C[N@H+]2C[C@@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000708955195 712204086 /nfs/dbraw/zinc/20/40/86/712204086.db2.gz BNLAFXQTYIJWBM-IFWUJCSASA-N 2 1 242.363 0.850 10 0 BCAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1CCCO1)C2 ZINC000709820188 712228152 /nfs/dbraw/zinc/22/81/52/712228152.db2.gz BCYVIVRWWAZKRA-BJDJZHNGSA-N 2 1 210.321 0.977 10 0 BCAEMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CCC1(C)C ZINC000712622826 712438838 /nfs/dbraw/zinc/43/88/38/712438838.db2.gz QFKURIRWRHGDPM-NSHDSACASA-N 2 1 239.363 0.539 10 0 BCAEMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000713183980 712453889 /nfs/dbraw/zinc/45/38/89/712453889.db2.gz BKKRDURZXBRLSL-FMCLSXCISA-N 2 1 249.358 0.420 10 0 BCAEMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]C1 ZINC000720885189 712874469 /nfs/dbraw/zinc/87/44/69/712874469.db2.gz CWUDJIJBNBSRPB-TUAOUCFPSA-N 2 1 237.347 0.291 10 0 BCAEMP