smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])N1CCC([NH+]2CCOCC2)CC1 ZINC000001639506 181188686 /nfs/dbraw/zinc/18/86/86/181188686.db2.gz DHEYRPWOYICALS-UHFFFAOYSA-N 2 1 212.297 -0.324 10 0 BBAEMP C[NH+]1CCN(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000002524711 173089450 /nfs/dbraw/zinc/08/94/50/173089450.db2.gz SHSAZYRRAVBKDZ-UHFFFAOYSA-N 2 1 226.324 -0.735 10 0 BBAEMP C[NH+]1CCN(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000002583931 173090029 /nfs/dbraw/zinc/09/00/29/173090029.db2.gz COOHYPVDZWFYBR-UHFFFAOYSA-N 2 1 240.351 -0.345 10 0 BBAEMP CC[NH2+]CCCNCCC[NH2+]CCC[NH3+] ZINC000013522208 170112488 /nfs/dbraw/zinc/11/24/88/170112488.db2.gz KGQJFMWBIDICOP-UHFFFAOYSA-N 3 1 216.373 -0.096 10 0 BBAEMP CN1CCN(C2(C[NH3+])CC[NH+](C)CC2)CC1 ZINC000019489267 173076259 /nfs/dbraw/zinc/07/62/59/173076259.db2.gz NSWSJJDEMCQUCX-UHFFFAOYSA-N 2 1 226.368 -0.343 10 0 BBAEMP CC[C@H](C)[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC000019688570 171319596 /nfs/dbraw/zinc/31/95/96/171319596.db2.gz MGKJOYOWPYHWNG-JTQLQIEISA-N 2 1 249.380 -0.309 10 0 BBAEMP COCC[N@@H+]1C[C@H]2C[NH2+]C[C@@H](C1)C2O ZINC000019723297 174317784 /nfs/dbraw/zinc/31/77/84/174317784.db2.gz UEHKSYCZLAOYLE-ULKQDVFKSA-N 2 1 200.282 -0.855 10 0 BBAEMP COCC[N@H+]1C[C@H]2C[NH2+]C[C@@H](C1)C2O ZINC000019723297 174317782 /nfs/dbraw/zinc/31/77/82/174317782.db2.gz UEHKSYCZLAOYLE-ULKQDVFKSA-N 2 1 200.282 -0.855 10 0 BBAEMP Nc1c[nH+]ccc1N1CC[NH+](CCO)CC1 ZINC000019763637 132326982 /nfs/dbraw/zinc/32/69/82/132326982.db2.gz LTUKKXJLQGZJDH-UHFFFAOYSA-N 2 1 222.292 -0.222 10 0 BBAEMP [NH3+]C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000019810766 181343258 /nfs/dbraw/zinc/34/32/58/181343258.db2.gz XMALVMWRWGOIRH-UHFFFAOYSA-N 2 1 212.297 -0.565 10 0 BBAEMP C[NH+]1CCN(C(=O)CN2CCC[NH2+]CC2)CC1 ZINC000019816740 173068108 /nfs/dbraw/zinc/06/81/08/173068108.db2.gz XLWWHXFIONSHDK-UHFFFAOYSA-N 2 1 240.351 -0.944 10 0 BBAEMP C[NH+]1CCN(C(=O)CN2CCC([NH3+])CC2)CC1 ZINC000019816753 173067041 /nfs/dbraw/zinc/06/70/41/173067041.db2.gz MYOSZMODZKOMEG-UHFFFAOYSA-N 2 1 240.351 -0.817 10 0 BBAEMP CN(CCC[NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000019834790 173066874 /nfs/dbraw/zinc/06/68/74/173066874.db2.gz XHUGUGQLBSKLAB-UHFFFAOYSA-N 2 1 228.340 -0.959 10 0 BBAEMP CNC(=O)C[NH2+]CC(C)(C)C[NH+](C)C ZINC000020043132 173276950 /nfs/dbraw/zinc/27/69/50/173276950.db2.gz NPBUGMGXRKBKDE-UHFFFAOYSA-N 2 1 201.314 -0.090 10 0 BBAEMP C[N@H+]1CCCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000020217563 173011345 /nfs/dbraw/zinc/01/13/45/173011345.db2.gz IOXCAQMLGOOOFI-UHFFFAOYSA-N 2 1 226.324 -0.351 10 0 BBAEMP C[NH2+]C[C@@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020217570 173364538 /nfs/dbraw/zinc/36/45/38/173364538.db2.gz CVYPDBYMWLJWSF-SNVBAGLBSA-N 2 1 201.314 -0.796 10 0 BBAEMP C[NH2+]C[C@H](O)CN1CCC[N@@H+](C)CC1 ZINC000020217571 173376557 /nfs/dbraw/zinc/37/65/57/173376557.db2.gz CVYPDBYMWLJWSF-JTQLQIEISA-N 2 1 201.314 -0.796 10 0 BBAEMP C[N@H+]1CCCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC000020217602 173013321 /nfs/dbraw/zinc/01/33/21/173013321.db2.gz UPTIBBGJZPRTSI-UHFFFAOYSA-N 2 1 240.351 -0.944 10 0 BBAEMP C[N@H+]1CCCN([C@@H](C[NH3+])[C@@H]2CCOC2)CC1 ZINC000020217700 173017406 /nfs/dbraw/zinc/01/74/06/173017406.db2.gz LWNGPFHTMLRFMC-NEPJUHHUSA-N 2 1 227.352 -0.012 10 0 BBAEMP CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000020270230 173083790 /nfs/dbraw/zinc/08/37/90/173083790.db2.gz OLEPFFNHBIVUAI-UHFFFAOYSA-N 2 1 212.341 -0.861 10 0 BBAEMP C[NH+]1CCN(c2ncc3c(n2)CC[NH2+]C3)CC1 ZINC000020286121 536426769 /nfs/dbraw/zinc/42/67/69/536426769.db2.gz GKPXTCMDHDKXLL-UHFFFAOYSA-N 2 1 233.319 -0.126 10 0 BBAEMP Cc1cc(C[NH3+])nc(N2CC[NH+](C)CC2)n1 ZINC000020383580 132331365 /nfs/dbraw/zinc/33/13/65/132331365.db2.gz CXTMRVPOYFMHIP-UHFFFAOYSA-N 2 1 221.308 -0.004 10 0 BBAEMP Cc1nn(C)c(N2CC[NH+](C)CC2)c1C[NH3+] ZINC000020469577 180356962 /nfs/dbraw/zinc/35/69/62/180356962.db2.gz WFAYCINIDZRTGO-UHFFFAOYSA-N 2 1 223.324 -0.061 10 0 BBAEMP [NH3+]CCNCCNCC[NH2+]Cc1ccccc1 ZINC000022035153 181398024 /nfs/dbraw/zinc/39/80/24/181398024.db2.gz XXOQMYGARAONKF-UHFFFAOYSA-N 2 1 236.363 -0.086 10 0 BBAEMP [NH3+]CCCN1CCC[N@@H+](CCC[NH3+])CC1 ZINC000022938127 181381500 /nfs/dbraw/zinc/38/15/00/181381500.db2.gz XYUCARGKJNKODR-UHFFFAOYSA-N 3 1 214.357 -0.308 10 0 BBAEMP NC(=[NH2+])NS(=O)(=O)c1ccc(C(N)=[NH2+])cc1 ZINC000029475932 181190686 /nfs/dbraw/zinc/19/06/86/181190686.db2.gz XOQIWCHDHWKJGW-UHFFFAOYSA-N 2 1 241.276 -0.858 10 0 BBAEMP C[NH+]1CCN(c2ccc(C[NH3+])nn2)CC1 ZINC000031977337 132334874 /nfs/dbraw/zinc/33/48/74/132334874.db2.gz MFOBMBJXXXVDLV-UHFFFAOYSA-N 2 1 207.281 -0.313 10 0 BBAEMP Cc1[nH+]ccn1[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000031990012 180272168 /nfs/dbraw/zinc/27/21/68/180272168.db2.gz UTHWTUDJGAXCGF-JGVFFNPUSA-N 2 1 215.278 -0.512 10 0 BBAEMP Cc1[nH+]ccn1[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000031990017 180271828 /nfs/dbraw/zinc/27/18/28/180271828.db2.gz UTHWTUDJGAXCGF-YUMQZZPRSA-N 2 1 215.278 -0.512 10 0 BBAEMP Cc1[nH+]ccn1[C@@H]1CS(=O)(=O)C[C@H]1[NH3+] ZINC000031990020 180271739 /nfs/dbraw/zinc/27/17/39/180271739.db2.gz UTHWTUDJGAXCGF-HTQZYQBOSA-N 2 1 215.278 -0.512 10 0 BBAEMP Cc1[nH+]ccn1[C@H]1CS(=O)(=O)C[C@H]1[NH3+] ZINC000031990023 180271124 /nfs/dbraw/zinc/27/11/24/180271124.db2.gz UTHWTUDJGAXCGF-SFYZADRCSA-N 2 1 215.278 -0.512 10 0 BBAEMP [NH3+]C1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000032021267 181343418 /nfs/dbraw/zinc/34/34/18/181343418.db2.gz LPFPKXTZFFDDRA-QMMMGPOBSA-N 2 1 215.322 -0.401 10 0 BBAEMP CCCOC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000034619977 169299389 /nfs/dbraw/zinc/29/93/89/169299389.db2.gz HJMAILFRPWZGMI-ZETCQYMHSA-N 2 1 216.285 -0.470 10 0 BBAEMP CCCOC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+] ZINC000035575753 169301072 /nfs/dbraw/zinc/30/10/72/169301072.db2.gz HJMAILFRPWZGMI-SSDOTTSWSA-N 2 1 216.285 -0.470 10 0 BBAEMP C[C@@H]1COCC[N@H+]1CCC(=O)N(C)CCC[NH3+] ZINC000035774041 176336082 /nfs/dbraw/zinc/33/60/82/176336082.db2.gz IGITVOBNGGAQRP-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP C[C@H]1COCC[N@H+]1CCC(=O)N(C)CCC[NH3+] ZINC000035774044 177291580 /nfs/dbraw/zinc/29/15/80/177291580.db2.gz IGITVOBNGGAQRP-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP NC(=[NH2+])c1cccnc1N1CC[NH+](CCO)CC1 ZINC000036231514 132340949 /nfs/dbraw/zinc/34/09/49/132340949.db2.gz PYSWWMPLRIIKAO-UHFFFAOYSA-N 2 1 249.318 -0.520 10 0 BBAEMP C[N@H+]1CCCN([C@@H]2COCC[C@@H]2[NH3+])CC1 ZINC000036305300 173018048 /nfs/dbraw/zinc/01/80/48/173018048.db2.gz QLJXRKKVXZBUPZ-WDEREUQCSA-N 2 1 213.325 -0.260 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@@H+](CCC[NH3+])C1CC1 ZINC000036732123 173287978 /nfs/dbraw/zinc/28/79/78/173287978.db2.gz AHUKVSPWZKKUFV-QMMMGPOBSA-N 2 1 242.323 -0.356 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CC1 ZINC000036732123 173287977 /nfs/dbraw/zinc/28/79/77/173287977.db2.gz AHUKVSPWZKKUFV-QMMMGPOBSA-N 2 1 242.323 -0.356 10 0 BBAEMP CNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC[NH3+])C1CC1 ZINC000036732124 173287667 /nfs/dbraw/zinc/28/76/67/173287667.db2.gz AHUKVSPWZKKUFV-MRVPVSSYSA-N 2 1 242.323 -0.356 10 0 BBAEMP CNC(=O)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CC1 ZINC000036732124 173287666 /nfs/dbraw/zinc/28/76/66/173287666.db2.gz AHUKVSPWZKKUFV-MRVPVSSYSA-N 2 1 242.323 -0.356 10 0 BBAEMP COCCNC(=O)[C@H](C)[N@@H+](CCC[NH3+])C1CC1 ZINC000036732133 174326923 /nfs/dbraw/zinc/32/69/23/174326923.db2.gz NOJOOPACMKMHRR-JTQLQIEISA-N 2 1 243.351 -0.049 10 0 BBAEMP COCCNC(=O)[C@H](C)[N@H+](CCC[NH3+])C1CC1 ZINC000036732133 174326922 /nfs/dbraw/zinc/32/69/22/174326922.db2.gz NOJOOPACMKMHRR-JTQLQIEISA-N 2 1 243.351 -0.049 10 0 BBAEMP COCCNC(=O)[C@@H](C)[N@@H+](CCC[NH3+])C1CC1 ZINC000036732134 174325850 /nfs/dbraw/zinc/32/58/50/174325850.db2.gz NOJOOPACMKMHRR-SNVBAGLBSA-N 2 1 243.351 -0.049 10 0 BBAEMP COCCNC(=O)[C@@H](C)[N@H+](CCC[NH3+])C1CC1 ZINC000036732134 174325848 /nfs/dbraw/zinc/32/58/48/174325848.db2.gz NOJOOPACMKMHRR-SNVBAGLBSA-N 2 1 243.351 -0.049 10 0 BBAEMP [NH3+]C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000036754363 181343800 /nfs/dbraw/zinc/34/38/00/181343800.db2.gz WXNKENIYMUXRDS-UHFFFAOYSA-N 2 1 225.292 -0.442 10 0 BBAEMP [NH3+]Cc1ccnc(N2CC[NH+](CCO)CC2)c1 ZINC000036795383 132342795 /nfs/dbraw/zinc/34/27/95/132342795.db2.gz IJMUNWMUXCJMLJ-UHFFFAOYSA-N 2 1 236.319 -0.345 10 0 BBAEMP CCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000036873138 342992931 /nfs/dbraw/zinc/99/29/31/342992931.db2.gz SXRJXVLIPUFITJ-NSHDSACASA-N 2 1 243.351 -0.048 10 0 BBAEMP CCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000036873139 169388770 /nfs/dbraw/zinc/38/87/70/169388770.db2.gz SXRJXVLIPUFITJ-LLVKDONJSA-N 2 1 243.351 -0.048 10 0 BBAEMP CCNC(=O)C[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038111 170058932 /nfs/dbraw/zinc/05/89/32/170058932.db2.gz KBISRZMADLWFRA-UHFFFAOYSA-N 2 1 242.367 -0.521 10 0 BBAEMP CCNC(=O)C[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038111 170058931 /nfs/dbraw/zinc/05/89/31/170058931.db2.gz KBISRZMADLWFRA-UHFFFAOYSA-N 2 1 242.367 -0.521 10 0 BBAEMP CCNC(=O)CN1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038111 170058929 /nfs/dbraw/zinc/05/89/29/170058929.db2.gz KBISRZMADLWFRA-UHFFFAOYSA-N 2 1 242.367 -0.521 10 0 BBAEMP CCNC(=O)CN1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038111 170058928 /nfs/dbraw/zinc/05/89/28/170058928.db2.gz KBISRZMADLWFRA-UHFFFAOYSA-N 2 1 242.367 -0.521 10 0 BBAEMP CNC(=O)[C@H](C)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038139 173301826 /nfs/dbraw/zinc/30/18/26/173301826.db2.gz DNXKMEQBEBKJAD-NSHDSACASA-N 2 1 242.367 -0.523 10 0 BBAEMP CNC(=O)[C@H](C)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038139 173301825 /nfs/dbraw/zinc/30/18/25/173301825.db2.gz DNXKMEQBEBKJAD-NSHDSACASA-N 2 1 242.367 -0.523 10 0 BBAEMP CNC(=O)[C@H](C)[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038139 173301823 /nfs/dbraw/zinc/30/18/23/173301823.db2.gz DNXKMEQBEBKJAD-NSHDSACASA-N 2 1 242.367 -0.523 10 0 BBAEMP CNC(=O)[C@@H](C)N1CCC[N@@H+](CCC[NH3+])CC1 ZINC000037038140 173294364 /nfs/dbraw/zinc/29/43/64/173294364.db2.gz DNXKMEQBEBKJAD-LLVKDONJSA-N 2 1 242.367 -0.523 10 0 BBAEMP CNC(=O)[C@@H](C)N1CCC[N@H+](CCC[NH3+])CC1 ZINC000037038140 173294363 /nfs/dbraw/zinc/29/43/63/173294363.db2.gz DNXKMEQBEBKJAD-LLVKDONJSA-N 2 1 242.367 -0.523 10 0 BBAEMP CNC(=O)[C@@H](C)[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038140 173294361 /nfs/dbraw/zinc/29/43/61/173294361.db2.gz DNXKMEQBEBKJAD-LLVKDONJSA-N 2 1 242.367 -0.523 10 0 BBAEMP NC(=O)N1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000037039354 181376316 /nfs/dbraw/zinc/37/63/16/181376316.db2.gz ANVZZNXSCBMTMW-UHFFFAOYSA-N 2 1 214.313 -0.188 10 0 BBAEMP [NH3+]CCN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000037039568 181391909 /nfs/dbraw/zinc/39/19/09/181391909.db2.gz URMJUHKQNILTAK-LLVKDONJSA-N 2 1 240.351 -0.769 10 0 BBAEMP [NH3+]CCN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000037039569 181391292 /nfs/dbraw/zinc/39/12/92/181391292.db2.gz URMJUHKQNILTAK-NSHDSACASA-N 2 1 240.351 -0.769 10 0 BBAEMP CN(C)C(=O)C[N@H+]1CCCN(CC[NH3+])CC1 ZINC000037039715 172365292 /nfs/dbraw/zinc/36/52/92/172365292.db2.gz PWQIDTMPJFAVFY-UHFFFAOYSA-N 2 1 228.340 -0.959 10 0 BBAEMP CNC(=O)[C@H](C)[N@H+]1CCCN(CC[NH3+])CC1 ZINC000037039752 173301751 /nfs/dbraw/zinc/30/17/51/173301751.db2.gz LBFHGVAMRMATNE-JTQLQIEISA-N 2 1 228.340 -0.913 10 0 BBAEMP CNC(=O)[C@@H](C)[N@H+]1CCCN(CC[NH3+])CC1 ZINC000037039753 173294495 /nfs/dbraw/zinc/29/44/95/173294495.db2.gz LBFHGVAMRMATNE-SNVBAGLBSA-N 2 1 228.340 -0.913 10 0 BBAEMP CNC(=O)CN1CCC[N@@H+](CCCC[NH3+])CC1 ZINC000037039933 173273835 /nfs/dbraw/zinc/27/38/35/173273835.db2.gz BOIGJCSAEUZQNY-UHFFFAOYSA-N 2 1 242.367 -0.521 10 0 BBAEMP NC(=O)CC[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000037049323 181375433 /nfs/dbraw/zinc/37/54/33/181375433.db2.gz AVGWWVLDGOOOFC-UHFFFAOYSA-N 2 1 242.367 -0.392 10 0 BBAEMP NC(=O)CN1CCC[N@@H+](CCCCC[NH3+])CC1 ZINC000037049381 181375183 /nfs/dbraw/zinc/37/51/83/181375183.db2.gz MWXZUKMYXSFEQN-UHFFFAOYSA-N 2 1 242.367 -0.392 10 0 BBAEMP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC[NH3+])CCO1 ZINC000037049894 176287121 /nfs/dbraw/zinc/28/71/21/176287121.db2.gz ZDRWSECBKYXKCX-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC[NH3+])CCO1 ZINC000037049895 177246447 /nfs/dbraw/zinc/24/64/47/177246447.db2.gz ZDRWSECBKYXKCX-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037224665 173277199 /nfs/dbraw/zinc/27/71/99/173277199.db2.gz LVDBDKYMPATLEV-PBINXNQUSA-N 2 1 211.309 -0.053 10 0 BBAEMP CNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037224665 173277198 /nfs/dbraw/zinc/27/71/98/173277198.db2.gz LVDBDKYMPATLEV-PBINXNQUSA-N 2 1 211.309 -0.053 10 0 BBAEMP CN1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000037482557 173013958 /nfs/dbraw/zinc/01/39/58/173013958.db2.gz NSUVRJFJBDMTOH-UHFFFAOYSA-N 2 1 226.368 -0.471 10 0 BBAEMP CN1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000037482557 173013954 /nfs/dbraw/zinc/01/39/54/173013954.db2.gz NSUVRJFJBDMTOH-UHFFFAOYSA-N 2 1 226.368 -0.471 10 0 BBAEMP C[N@H+]1CCCN(CCN2CC[NH2+]CC2)CC1 ZINC000037482557 173013953 /nfs/dbraw/zinc/01/39/53/173013953.db2.gz NSUVRJFJBDMTOH-UHFFFAOYSA-N 2 1 226.368 -0.471 10 0 BBAEMP C[C@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000037482586 177291394 /nfs/dbraw/zinc/29/13/94/177291394.db2.gz AGLNAKHFTDTYEY-NSHDSACASA-N 2 1 213.325 -0.388 10 0 BBAEMP C[C@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000037482586 177291393 /nfs/dbraw/zinc/29/13/93/177291393.db2.gz AGLNAKHFTDTYEY-NSHDSACASA-N 2 1 213.325 -0.388 10 0 BBAEMP CC[N@H+]1CC[C@H](CN2C[C@H]([NH3+])CC2=O)C1 ZINC000037484521 170015948 /nfs/dbraw/zinc/01/59/48/170015948.db2.gz LJLDBRWFASDXTD-VHSXEESVSA-N 2 1 211.309 -0.112 10 0 BBAEMP CC[N@H+]1CC[C@@H](CN2C[C@H]([NH3+])CC2=O)C1 ZINC000037484522 170006268 /nfs/dbraw/zinc/00/62/68/170006268.db2.gz LJLDBRWFASDXTD-NXEZZACHSA-N 2 1 211.309 -0.112 10 0 BBAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(=O)N(C)C2=O)C1 ZINC000037644729 170016203 /nfs/dbraw/zinc/01/62/03/170016203.db2.gz JBMKOOOBYIHUJM-NXEZZACHSA-N 2 1 239.319 -0.325 10 0 BBAEMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(=O)N(C)C2=O)C1 ZINC000037644729 170016201 /nfs/dbraw/zinc/01/62/01/170016201.db2.gz JBMKOOOBYIHUJM-NXEZZACHSA-N 2 1 239.319 -0.325 10 0 BBAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(=O)N(C)C2=O)C1 ZINC000037644730 170010054 /nfs/dbraw/zinc/01/00/54/170010054.db2.gz JBMKOOOBYIHUJM-VHSXEESVSA-N 2 1 239.319 -0.325 10 0 BBAEMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC(=O)N(C)C2=O)C1 ZINC000037644730 170010053 /nfs/dbraw/zinc/01/00/53/170010053.db2.gz JBMKOOOBYIHUJM-VHSXEESVSA-N 2 1 239.319 -0.325 10 0 BBAEMP C[N@H+]1CC[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC000037647437 173147350 /nfs/dbraw/zinc/14/73/50/173147350.db2.gz QBRISAZDOQCXOQ-LLVKDONJSA-N 2 1 241.335 -0.614 10 0 BBAEMP C[N@@H+]1CC[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC000037647437 173147348 /nfs/dbraw/zinc/14/73/48/173147348.db2.gz QBRISAZDOQCXOQ-LLVKDONJSA-N 2 1 241.335 -0.614 10 0 BBAEMP C[N@H+]1CC[C@@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC000037647438 173115396 /nfs/dbraw/zinc/11/53/96/173115396.db2.gz QBRISAZDOQCXOQ-NSHDSACASA-N 2 1 241.335 -0.614 10 0 BBAEMP C[N@@H+]1CC[C@@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC000037647438 173115395 /nfs/dbraw/zinc/11/53/95/173115395.db2.gz QBRISAZDOQCXOQ-NSHDSACASA-N 2 1 241.335 -0.614 10 0 BBAEMP Cc1cc(NCC(=O)N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000037756880 358093943 /nfs/dbraw/zinc/09/39/43/358093943.db2.gz GQSOXXQUUGOELT-UHFFFAOYSA-N 2 1 249.318 -0.063 10 0 BBAEMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000037758665 173140378 /nfs/dbraw/zinc/14/03/78/173140378.db2.gz SQEWSTWWYBLSBM-VIFPVBQESA-N 2 1 211.309 -0.112 10 0 BBAEMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000037758666 173109735 /nfs/dbraw/zinc/10/97/35/173109735.db2.gz SQEWSTWWYBLSBM-SECBINFHSA-N 2 1 211.309 -0.112 10 0 BBAEMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000037758719 173141249 /nfs/dbraw/zinc/14/12/49/173141249.db2.gz BSIRSEOZBLJWTR-VIFPVBQESA-N 2 1 211.309 -0.194 10 0 BBAEMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000037758720 173110911 /nfs/dbraw/zinc/11/09/11/173110911.db2.gz BSIRSEOZBLJWTR-SECBINFHSA-N 2 1 211.309 -0.194 10 0 BBAEMP [NH3+]CC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000037822907 181348511 /nfs/dbraw/zinc/34/85/11/181348511.db2.gz WAAPINPAEHQKBV-LLVKDONJSA-N 2 1 241.335 -0.342 10 0 BBAEMP [NH3+]CC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000037822908 181347552 /nfs/dbraw/zinc/34/75/52/181347552.db2.gz WAAPINPAEHQKBV-NSHDSACASA-N 2 1 241.335 -0.342 10 0 BBAEMP C[N@H+]1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894284 173147779 /nfs/dbraw/zinc/14/77/79/173147779.db2.gz OKMXLHDAUWQZIJ-OLZOCXBDSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[N@H+]1CC[C@@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000037894285 173115689 /nfs/dbraw/zinc/11/56/89/173115689.db2.gz OKMXLHDAUWQZIJ-STQMWFEESA-N 2 1 241.379 -0.016 10 0 BBAEMP CN(C)C(=O)CC[N@H+]1CCCN(CC[NH3+])CC1 ZINC000037897742 172357416 /nfs/dbraw/zinc/35/74/16/172357416.db2.gz NROUHGFJNWDFEG-UHFFFAOYSA-N 2 1 242.367 -0.569 10 0 BBAEMP NC(=O)NC(=O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904764 181254217 /nfs/dbraw/zinc/25/42/17/181254217.db2.gz NPYDYYPNRDQFNU-MRVPVSSYSA-N 2 1 240.307 -0.745 10 0 BBAEMP NC(=O)NC(=O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904764 181254215 /nfs/dbraw/zinc/25/42/15/181254215.db2.gz NPYDYYPNRDQFNU-MRVPVSSYSA-N 2 1 240.307 -0.745 10 0 BBAEMP NC(=O)NC(=O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904765 181254278 /nfs/dbraw/zinc/25/42/78/181254278.db2.gz NPYDYYPNRDQFNU-QMMMGPOBSA-N 2 1 240.307 -0.745 10 0 BBAEMP NC(=O)NC(=O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904765 181254277 /nfs/dbraw/zinc/25/42/77/181254277.db2.gz NPYDYYPNRDQFNU-QMMMGPOBSA-N 2 1 240.307 -0.745 10 0 BBAEMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000037910919 176108718 /nfs/dbraw/zinc/10/87/18/176108718.db2.gz CMRTVGWIBGNZIX-SNVBAGLBSA-N 2 1 211.309 -0.098 10 0 BBAEMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000037910920 177109727 /nfs/dbraw/zinc/10/97/27/177109727.db2.gz CMRTVGWIBGNZIX-JTQLQIEISA-N 2 1 211.309 -0.098 10 0 BBAEMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000037996398 173140478 /nfs/dbraw/zinc/14/04/78/173140478.db2.gz CCVASTWCIYYFMB-JTQLQIEISA-N 2 1 211.309 -0.240 10 0 BBAEMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH2+]CC2)C1 ZINC000037996399 173110447 /nfs/dbraw/zinc/11/04/47/173110447.db2.gz CCVASTWCIYYFMB-SNVBAGLBSA-N 2 1 211.309 -0.240 10 0 BBAEMP CC[C@H](C)NC(=O)CC[NH2+]C[C@H](O)C[NH+](C)C ZINC000038014376 171322298 /nfs/dbraw/zinc/32/22/98/171322298.db2.gz MTYKHTVFBCYRSV-QWRGUYRKSA-N 2 1 245.367 -0.197 10 0 BBAEMP CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](O)C[NH+](C)C ZINC000038014378 171322341 /nfs/dbraw/zinc/32/23/41/171322341.db2.gz MTYKHTVFBCYRSV-WDEREUQCSA-N 2 1 245.367 -0.197 10 0 BBAEMP C[N@@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)C[NH3+])C2 ZINC000038019342 173207148 /nfs/dbraw/zinc/20/71/48/173207148.db2.gz UQAPMMIRQVUUDN-PBINXNQUSA-N 2 1 211.309 -0.066 10 0 BBAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000038062685 386117876 /nfs/dbraw/zinc/11/78/76/386117876.db2.gz HVZNRJHDFVDWIA-VHSXEESVSA-N 2 1 200.282 -0.318 10 0 BBAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000038062686 386118594 /nfs/dbraw/zinc/11/85/94/386118594.db2.gz HVZNRJHDFVDWIA-NXEZZACHSA-N 2 1 200.282 -0.318 10 0 BBAEMP OCC1([N@H+]2CCC[NH2+]CC2)CCOCC1 ZINC000038117501 183037011 /nfs/dbraw/zinc/03/70/11/183037011.db2.gz XHVVXEVOZLJRTM-UHFFFAOYSA-N 2 1 214.309 -0.177 10 0 BBAEMP CC[NH+]1CCN(c2cc(NN)[nH+]cn2)CC1 ZINC000039102363 535743226 /nfs/dbraw/zinc/74/32/26/535743226.db2.gz DLIOLGAUXUOOCW-UHFFFAOYSA-N 2 1 222.296 -0.674 10 0 BBAEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCNC(N)=[NH2+] ZINC000039109062 173188593 /nfs/dbraw/zinc/18/85/93/173188593.db2.gz CDQIQHBYYDSRLB-DTORHVGOSA-N 2 1 211.313 -0.752 10 0 BBAEMP COC(=O)[C@@H]([NH3+])CCC[C@H]([NH3+])C(=O)OC ZINC000039317301 358222182 /nfs/dbraw/zinc/22/21/82/358222182.db2.gz UJSUWCBMTJCQAX-BQBZGAKWSA-N 2 1 218.253 -0.843 10 0 BBAEMP COC(=O)[C@H]([NH3+])CCC[C@@H]([NH3+])C(=O)OC ZINC000039317302 358222141 /nfs/dbraw/zinc/22/21/41/358222141.db2.gz UJSUWCBMTJCQAX-RNFRBKRXSA-N 2 1 218.253 -0.843 10 0 BBAEMP C[NH+]1CCN(c2ccc(NN)[nH+]n2)CC1 ZINC000039370421 132296279 /nfs/dbraw/zinc/29/62/79/132296279.db2.gz FPAOMVHSUQKCIG-UHFFFAOYSA-N 2 1 208.269 -0.486 10 0 BBAEMP COCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508479 174306341 /nfs/dbraw/zinc/30/63/41/174306341.db2.gz ZUPUDGSRTOWBJR-LLVKDONJSA-N 2 1 241.335 -0.471 10 0 BBAEMP COCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508480 174308642 /nfs/dbraw/zinc/30/86/42/174308642.db2.gz ZUPUDGSRTOWBJR-NSHDSACASA-N 2 1 241.335 -0.471 10 0 BBAEMP CC[NH+]1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000040630836 358243948 /nfs/dbraw/zinc/24/39/48/358243948.db2.gz KXHKGXUMLXOPNI-GHMZBOCLSA-N 2 1 241.335 -0.473 10 0 BBAEMP C[NH+]1CCN(c2nc[nH+]c(NN)c2N)CC1 ZINC000040726321 132348652 /nfs/dbraw/zinc/34/86/52/132348652.db2.gz LAAYEICYOAMYHE-UHFFFAOYSA-N 2 1 223.284 -0.904 10 0 BBAEMP CC[NH+]1CCN(c2nc[nH+]c(NN)c2N)CC1 ZINC000040726695 132348473 /nfs/dbraw/zinc/34/84/73/132348473.db2.gz VVYURODASJQNPQ-UHFFFAOYSA-N 2 1 237.311 -0.514 10 0 BBAEMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC000040749947 181344652 /nfs/dbraw/zinc/34/46/52/181344652.db2.gz SYUAAPIHEPRVMY-FGWVZKOKSA-N 2 1 238.335 -0.034 10 0 BBAEMP C[C@H](O)[C@H]([NH3+])C(=O)OC1CC[NH+](C)CC1 ZINC000041018840 177013357 /nfs/dbraw/zinc/01/33/57/177013357.db2.gz XMMUPADHLGILFB-CBAPKCEASA-N 2 1 216.281 -0.668 10 0 BBAEMP C[C@H](O)[C@@H]([NH3+])C(=O)OC1CC[NH+](C)CC1 ZINC000041018846 177006564 /nfs/dbraw/zinc/00/65/64/177006564.db2.gz XMMUPADHLGILFB-IONNQARKSA-N 2 1 216.281 -0.668 10 0 BBAEMP [NH3+]CCN1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000041045975 181392267 /nfs/dbraw/zinc/39/22/67/181392267.db2.gz BHTVVZBNUOYLDE-LBPRGKRZSA-N 2 1 227.352 -0.011 10 0 BBAEMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000041680195 410933531 /nfs/dbraw/zinc/93/35/31/410933531.db2.gz RYHRUQXPWBFXPR-RKDXNWHRSA-N 2 1 244.339 -0.964 10 0 BBAEMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CC(N)=O ZINC000041680196 169788020 /nfs/dbraw/zinc/78/80/20/169788020.db2.gz RYHRUQXPWBFXPR-DTWKUNHWSA-N 2 1 244.339 -0.964 10 0 BBAEMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000041680197 410934183 /nfs/dbraw/zinc/93/41/83/410934183.db2.gz RYHRUQXPWBFXPR-BDAKNGLRSA-N 2 1 244.339 -0.964 10 0 BBAEMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CC(N)=O ZINC000041680198 409738303 /nfs/dbraw/zinc/73/83/03/409738303.db2.gz RYHRUQXPWBFXPR-IUCAKERBSA-N 2 1 244.339 -0.964 10 0 BBAEMP C[NH+]1CCN(CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000042354433 173077781 /nfs/dbraw/zinc/07/77/81/173077781.db2.gz HUKUEDWNHVFOHG-UHFFFAOYSA-N 2 1 240.351 -0.944 10 0 BBAEMP COCCC[N@@H+](CCOC)CC(=O)NCC[NH3+] ZINC000042408749 174223397 /nfs/dbraw/zinc/22/33/97/174223397.db2.gz RWXBMOIRMJOCJM-UHFFFAOYSA-N 2 1 247.339 -0.954 10 0 BBAEMP CCCO[C@@H]1CCC[N@@H+](CC(=O)NCC[NH3+])C1 ZINC000042420657 169310450 /nfs/dbraw/zinc/31/04/50/169310450.db2.gz SHERGLIVAQZEGE-LLVKDONJSA-N 2 1 243.351 -0.048 10 0 BBAEMP CCCO[C@@H]1CCC[N@H+](CC(=O)NCC[NH3+])C1 ZINC000042420657 169310449 /nfs/dbraw/zinc/31/04/49/169310449.db2.gz SHERGLIVAQZEGE-LLVKDONJSA-N 2 1 243.351 -0.048 10 0 BBAEMP CCCO[C@H]1CCC[N@@H+](CC(=O)NCC[NH3+])C1 ZINC000042420658 169311557 /nfs/dbraw/zinc/31/15/57/169311557.db2.gz SHERGLIVAQZEGE-NSHDSACASA-N 2 1 243.351 -0.048 10 0 BBAEMP CCCO[C@H]1CCC[N@H+](CC(=O)NCC[NH3+])C1 ZINC000042420658 169311555 /nfs/dbraw/zinc/31/15/55/169311555.db2.gz SHERGLIVAQZEGE-NSHDSACASA-N 2 1 243.351 -0.048 10 0 BBAEMP CC[NH2+]C[C@H](O)C[N@@H+](CCCOC)CCOC ZINC000042421740 170122083 /nfs/dbraw/zinc/12/20/83/170122083.db2.gz ONUIEAYMOMCLAZ-LBPRGKRZSA-N 2 1 248.367 -0.058 10 0 BBAEMP CC[NH2+]C[C@H](O)C[N@H+](CCCOC)CCOC ZINC000042421740 170122081 /nfs/dbraw/zinc/12/20/81/170122081.db2.gz ONUIEAYMOMCLAZ-LBPRGKRZSA-N 2 1 248.367 -0.058 10 0 BBAEMP CC[NH2+]C[C@@H](O)C[N@@H+](CCCOC)CCOC ZINC000042421741 170119169 /nfs/dbraw/zinc/11/91/69/170119169.db2.gz ONUIEAYMOMCLAZ-GFCCVEGCSA-N 2 1 248.367 -0.058 10 0 BBAEMP CC[NH2+]C[C@@H](O)C[N@H+](CCCOC)CCOC ZINC000042421741 170119168 /nfs/dbraw/zinc/11/91/68/170119168.db2.gz ONUIEAYMOMCLAZ-GFCCVEGCSA-N 2 1 248.367 -0.058 10 0 BBAEMP COCC[NH2+]CCN(C)CC[NH+]1CCOCC1 ZINC000042428008 174332054 /nfs/dbraw/zinc/33/20/54/174332054.db2.gz KYFXQSQVIGEGDC-UHFFFAOYSA-N 2 1 245.367 -0.514 10 0 BBAEMP COCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042428469 174320430 /nfs/dbraw/zinc/32/04/30/174320430.db2.gz QGJBRJCYZXRGPN-GHMZBOCLSA-N 2 1 243.351 -0.192 10 0 BBAEMP COCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000042428469 174320429 /nfs/dbraw/zinc/32/04/29/174320429.db2.gz QGJBRJCYZXRGPN-GHMZBOCLSA-N 2 1 243.351 -0.192 10 0 BBAEMP COCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000042428470 174320426 /nfs/dbraw/zinc/32/04/26/174320426.db2.gz QGJBRJCYZXRGPN-MNOVXSKESA-N 2 1 243.351 -0.192 10 0 BBAEMP COCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000042428470 174320425 /nfs/dbraw/zinc/32/04/25/174320425.db2.gz QGJBRJCYZXRGPN-MNOVXSKESA-N 2 1 243.351 -0.192 10 0 BBAEMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455812 170077634 /nfs/dbraw/zinc/07/76/34/170077634.db2.gz LHVQBUHBJVVELF-DTWKUNHWSA-N 2 1 244.339 -0.253 10 0 BBAEMP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455812 170077631 /nfs/dbraw/zinc/07/76/31/170077631.db2.gz LHVQBUHBJVVELF-DTWKUNHWSA-N 2 1 244.339 -0.253 10 0 BBAEMP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455813 170077716 /nfs/dbraw/zinc/07/77/16/170077716.db2.gz LHVQBUHBJVVELF-IUCAKERBSA-N 2 1 244.339 -0.253 10 0 BBAEMP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455813 170077715 /nfs/dbraw/zinc/07/77/15/170077715.db2.gz LHVQBUHBJVVELF-IUCAKERBSA-N 2 1 244.339 -0.253 10 0 BBAEMP [NH3+]CCNC(=O)C[N@@H+](CCO)C1CCCCC1 ZINC000042500441 181393339 /nfs/dbraw/zinc/39/33/39/181393339.db2.gz MMMDSXOYAORKOE-UHFFFAOYSA-N 2 1 243.351 -0.312 10 0 BBAEMP COCC[N@@H+](CC(=O)N(C)CCC[NH3+])C1CC1 ZINC000042517598 174285049 /nfs/dbraw/zinc/28/50/49/174285049.db2.gz MGIWIXAUCZNSMH-UHFFFAOYSA-N 2 1 243.351 -0.096 10 0 BBAEMP COCC[N@H+](CC(=O)N(C)CCC[NH3+])C1CC1 ZINC000042517598 174285048 /nfs/dbraw/zinc/28/50/48/174285048.db2.gz MGIWIXAUCZNSMH-UHFFFAOYSA-N 2 1 243.351 -0.096 10 0 BBAEMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042548950 173150364 /nfs/dbraw/zinc/15/03/64/173150364.db2.gz QFEURMQALJEFOD-UWVGGRQHSA-N 2 1 211.309 -0.051 10 0 BBAEMP C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042548953 173121134 /nfs/dbraw/zinc/12/11/34/173121134.db2.gz QFEURMQALJEFOD-VHSXEESVSA-N 2 1 211.309 -0.051 10 0 BBAEMP C[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000042548979 173150607 /nfs/dbraw/zinc/15/06/07/173150607.db2.gz GIJFIKDREQYYMX-JTQLQIEISA-N 2 1 211.309 -0.194 10 0 BBAEMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000042548982 173122531 /nfs/dbraw/zinc/12/25/31/173122531.db2.gz GIJFIKDREQYYMX-SNVBAGLBSA-N 2 1 211.309 -0.194 10 0 BBAEMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000042548988 173122613 /nfs/dbraw/zinc/12/26/13/173122613.db2.gz DOJNDKYOUBPKNG-NXEZZACHSA-N 2 1 211.309 -0.194 10 0 BBAEMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042548994 173121165 /nfs/dbraw/zinc/12/11/65/173121165.db2.gz WRHALBQIRQQXCE-ZJUUUORDSA-N 2 1 211.309 -0.051 10 0 BBAEMP C[N@H+]1CC[C@@H](NC(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000042549228 173121723 /nfs/dbraw/zinc/12/17/23/173121723.db2.gz MSVHFMRWXLCXMN-KOLCDFICSA-N 2 1 211.309 -0.066 10 0 BBAEMP COCC[N@@H+](CC(=O)NCC[NH3+])[C@@H](C)COC ZINC000042602076 174285204 /nfs/dbraw/zinc/28/52/04/174285204.db2.gz VYKOPROGZHUNTR-JTQLQIEISA-N 2 1 247.339 -0.955 10 0 BBAEMP COCC[N@H+](CC(=O)NCC[NH3+])[C@@H](C)COC ZINC000042602076 174285203 /nfs/dbraw/zinc/28/52/03/174285203.db2.gz VYKOPROGZHUNTR-JTQLQIEISA-N 2 1 247.339 -0.955 10 0 BBAEMP COCC[N@@H+](CC(=O)NCC[NH3+])[C@H](C)COC ZINC000042602078 174284704 /nfs/dbraw/zinc/28/47/04/174284704.db2.gz VYKOPROGZHUNTR-SNVBAGLBSA-N 2 1 247.339 -0.955 10 0 BBAEMP COCC[N@H+](CC(=O)NCC[NH3+])[C@H](C)COC ZINC000042602078 174284702 /nfs/dbraw/zinc/28/47/02/174284702.db2.gz VYKOPROGZHUNTR-SNVBAGLBSA-N 2 1 247.339 -0.955 10 0 BBAEMP CC[NH2+]C[C@H](O)C[N@@H+](CCOC)[C@@H](C)COC ZINC000042607038 170122012 /nfs/dbraw/zinc/12/20/12/170122012.db2.gz QLJUOPXZNZAZNP-RYUDHWBXSA-N 2 1 248.367 -0.060 10 0 BBAEMP CC[NH2+]C[C@H](O)C[N@H+](CCOC)[C@@H](C)COC ZINC000042607038 170122010 /nfs/dbraw/zinc/12/20/10/170122010.db2.gz QLJUOPXZNZAZNP-RYUDHWBXSA-N 2 1 248.367 -0.060 10 0 BBAEMP CC[NH2+]C[C@@H](O)C[N@@H+](CCOC)[C@@H](C)COC ZINC000042607039 170119189 /nfs/dbraw/zinc/11/91/89/170119189.db2.gz QLJUOPXZNZAZNP-NWDGAFQWSA-N 2 1 248.367 -0.060 10 0 BBAEMP CC[NH2+]C[C@@H](O)C[N@H+](CCOC)[C@@H](C)COC ZINC000042607039 170119188 /nfs/dbraw/zinc/11/91/88/170119188.db2.gz QLJUOPXZNZAZNP-NWDGAFQWSA-N 2 1 248.367 -0.060 10 0 BBAEMP COCC[N@@H+](CC(=O)NCC[NH3+])[C@@H](C)C1CC1 ZINC000042614457 174284521 /nfs/dbraw/zinc/28/45/21/174284521.db2.gz HFWQUARAUPNWAG-JTQLQIEISA-N 2 1 243.351 -0.192 10 0 BBAEMP COCC[N@@H+](CC(=O)NCC[NH3+])[C@H](C)C1CC1 ZINC000042614459 174284979 /nfs/dbraw/zinc/28/49/79/174284979.db2.gz HFWQUARAUPNWAG-SNVBAGLBSA-N 2 1 243.351 -0.192 10 0 BBAEMP NC(=O)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000043493505 181282030 /nfs/dbraw/zinc/28/20/30/181282030.db2.gz MSPMXZCDUYNLJE-VHSXEESVSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000043493505 181282029 /nfs/dbraw/zinc/28/20/29/181282029.db2.gz MSPMXZCDUYNLJE-VHSXEESVSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493508 181282565 /nfs/dbraw/zinc/28/25/65/181282565.db2.gz MSPMXZCDUYNLJE-NXEZZACHSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000043493508 181282564 /nfs/dbraw/zinc/28/25/64/181282564.db2.gz MSPMXZCDUYNLJE-NXEZZACHSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497626 181281877 /nfs/dbraw/zinc/28/18/77/181281877.db2.gz BVIABCLEMNCLAO-SNVBAGLBSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000043497629 181269046 /nfs/dbraw/zinc/26/90/46/181269046.db2.gz BVIABCLEMNCLAO-JTQLQIEISA-N 2 1 211.309 -0.064 10 0 BBAEMP Nc1cc[nH+]c(N2CC[NH+](CCO)CC2)c1 ZINC000043568898 132353734 /nfs/dbraw/zinc/35/37/34/132353734.db2.gz JBBDUCBPVJBYHO-UHFFFAOYSA-N 2 1 222.292 -0.222 10 0 BBAEMP C[N@H+]1CCCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802037 173014076 /nfs/dbraw/zinc/01/40/76/173014076.db2.gz JPWVCGJSHTWBIE-NSHDSACASA-N 2 1 213.325 -0.388 10 0 BBAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000044372494 176167662 /nfs/dbraw/zinc/16/76/62/176167662.db2.gz WPDGMWWDZWEYDI-SNVBAGLBSA-N 2 1 211.309 -0.240 10 0 BBAEMP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000044372499 177157085 /nfs/dbraw/zinc/15/70/85/177157085.db2.gz WPDGMWWDZWEYDI-JTQLQIEISA-N 2 1 211.309 -0.240 10 0 BBAEMP CC[NH2+]CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000044650273 170109822 /nfs/dbraw/zinc/10/98/22/170109822.db2.gz HVWAPPZQIZGIHK-SNVBAGLBSA-N 2 1 211.309 -0.098 10 0 BBAEMP CC[NH2+]CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000044650274 170109873 /nfs/dbraw/zinc/10/98/73/170109873.db2.gz HVWAPPZQIZGIHK-JTQLQIEISA-N 2 1 211.309 -0.098 10 0 BBAEMP C[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000044761248 173065715 /nfs/dbraw/zinc/06/57/15/173065715.db2.gz CQXRTJHDHFYTKD-UHFFFAOYSA-N 2 1 241.335 -0.484 10 0 BBAEMP Cc1[nH+]ccn1C[C@H]([NH2+]C1CC1)C(N)=O ZINC000045432452 582879453 /nfs/dbraw/zinc/87/94/53/582879453.db2.gz PRHBPDGCAIRBOS-VIFPVBQESA-N 2 1 208.265 -0.203 10 0 BBAEMP Cc1[nH+]ccn1C[C@@H]([NH2+]C1CC1)C(N)=O ZINC000045432455 582878746 /nfs/dbraw/zinc/87/87/46/582878746.db2.gz PRHBPDGCAIRBOS-SECBINFHSA-N 2 1 208.265 -0.203 10 0 BBAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1CC)C(N)=O ZINC000045460487 582879887 /nfs/dbraw/zinc/87/98/87/582879887.db2.gz IFMIPRMQEMTJJQ-QMMMGPOBSA-N 2 1 210.281 -0.091 10 0 BBAEMP CC[NH2+][C@H](Cn1cc[nH+]c1CC)C(N)=O ZINC000045460489 582880160 /nfs/dbraw/zinc/88/01/60/582880160.db2.gz IFMIPRMQEMTJJQ-MRVPVSSYSA-N 2 1 210.281 -0.091 10 0 BBAEMP CCc1[nH+]ccn1C[C@](C)([NH2+]C)C(N)=O ZINC000045460586 582880139 /nfs/dbraw/zinc/88/01/39/582880139.db2.gz QXWKQGSFFKIZDZ-JTQLQIEISA-N 2 1 210.281 -0.091 10 0 BBAEMP CCc1[nH+]ccn1C[C@@](C)([NH2+]C)C(N)=O ZINC000045460588 582880412 /nfs/dbraw/zinc/88/04/12/582880412.db2.gz QXWKQGSFFKIZDZ-SNVBAGLBSA-N 2 1 210.281 -0.091 10 0 BBAEMP CC(C)[N@H+]1CC[C@@](CO)(N2CC[NH2+]CC2)C1 ZINC000045660317 187269793 /nfs/dbraw/zinc/26/97/93/187269793.db2.gz PLKINDOKJQEORW-GFCCVEGCSA-N 2 1 227.352 -0.263 10 0 BBAEMP CC(C)[N@H+]1CC[C@](CO)(N2CC[NH2+]CC2)C1 ZINC000045660320 167027372 /nfs/dbraw/zinc/02/73/72/167027372.db2.gz PLKINDOKJQEORW-LBPRGKRZSA-N 2 1 227.352 -0.263 10 0 BBAEMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH3+])CC(C)(C)O1 ZINC000045684698 176299316 /nfs/dbraw/zinc/29/93/16/176299316.db2.gz XOMCVSYQAOSEGP-RKDXNWHRSA-N 2 1 202.298 -0.195 10 0 BBAEMP C[C@@H]1C[N@H+](C[C@H](O)C[NH3+])CC(C)(C)O1 ZINC000045684698 176299314 /nfs/dbraw/zinc/29/93/14/176299314.db2.gz XOMCVSYQAOSEGP-RKDXNWHRSA-N 2 1 202.298 -0.195 10 0 BBAEMP C[C@H]1C[N@@H+](C[C@H](O)C[NH3+])CC(C)(C)O1 ZINC000045684700 177259238 /nfs/dbraw/zinc/25/92/38/177259238.db2.gz XOMCVSYQAOSEGP-DTWKUNHWSA-N 2 1 202.298 -0.195 10 0 BBAEMP C[C@H]1C[N@H+](C[C@H](O)C[NH3+])CC(C)(C)O1 ZINC000045684700 177259237 /nfs/dbraw/zinc/25/92/37/177259237.db2.gz XOMCVSYQAOSEGP-DTWKUNHWSA-N 2 1 202.298 -0.195 10 0 BBAEMP C[C@@H]1CCC[N@@H+](C[C@H](O)CN2CC[NH2+]CC2)C1 ZINC000045919733 176099946 /nfs/dbraw/zinc/09/99/46/176099946.db2.gz UNESPBDLVCUJDC-CHWSQXEVSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[C@H]1CCC[N@@H+](C[C@H](O)CN2CC[NH2+]CC2)C1 ZINC000045919735 177099932 /nfs/dbraw/zinc/09/99/32/177099932.db2.gz UNESPBDLVCUJDC-QWHCGFSZSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[N@H+]1CCCN(S(=O)(=O)CCC[NH3+])CC1 ZINC000048276850 173016886 /nfs/dbraw/zinc/01/68/86/173016886.db2.gz CFQZVEKTMOEQJU-UHFFFAOYSA-N 2 1 235.353 -0.698 10 0 BBAEMP C[N@@H+]1CCCN(S(=O)(=O)CCC[NH3+])CC1 ZINC000048276850 173016885 /nfs/dbraw/zinc/01/68/85/173016885.db2.gz CFQZVEKTMOEQJU-UHFFFAOYSA-N 2 1 235.353 -0.698 10 0 BBAEMP CC[N@H+]1CC[C@H](C[NH2+]CC(=O)NCCOC)C1 ZINC000049278194 170015952 /nfs/dbraw/zinc/01/59/52/170015952.db2.gz KXKGAGBNGXMEII-LLVKDONJSA-N 2 1 243.351 -0.320 10 0 BBAEMP CC[N@@H+]1CC[C@H](C[NH2+]CC(=O)NCCOC)C1 ZINC000049278194 170015951 /nfs/dbraw/zinc/01/59/51/170015951.db2.gz KXKGAGBNGXMEII-LLVKDONJSA-N 2 1 243.351 -0.320 10 0 BBAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC(=O)NCCOC)C1 ZINC000049278197 170007587 /nfs/dbraw/zinc/00/75/87/170007587.db2.gz KXKGAGBNGXMEII-NSHDSACASA-N 2 1 243.351 -0.320 10 0 BBAEMP CC[N@@H+]1CC[C@@H](C[NH2+]CC(=O)NCCOC)C1 ZINC000049278197 170007586 /nfs/dbraw/zinc/00/75/86/170007586.db2.gz KXKGAGBNGXMEII-NSHDSACASA-N 2 1 243.351 -0.320 10 0 BBAEMP Cc1[nH+]ccn1CCN1CCO[C@H](C[NH3+])C1 ZINC000049329650 180254787 /nfs/dbraw/zinc/25/47/87/180254787.db2.gz CTSYVGQAMVQOBI-LLVKDONJSA-N 2 1 224.308 -0.149 10 0 BBAEMP Cc1[nH+]ccn1CCN1CCO[C@@H](C[NH3+])C1 ZINC000049329652 180256841 /nfs/dbraw/zinc/25/68/41/180256841.db2.gz CTSYVGQAMVQOBI-NSHDSACASA-N 2 1 224.308 -0.149 10 0 BBAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000049329704 180262732 /nfs/dbraw/zinc/26/27/32/180262732.db2.gz VLSIDUWICFZPRH-JTQLQIEISA-N 2 1 243.332 -0.032 10 0 BBAEMP C[NH+]1CCN(CCC[N@H+]2CC[C@H](CO)C2)CC1 ZINC000049474427 173078455 /nfs/dbraw/zinc/07/84/55/173078455.db2.gz FNRJMLWBTBARPG-ZDUSSCGKSA-N 2 1 241.379 -0.062 10 0 BBAEMP C[NH+]1CCN(CCC[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000049474428 173078632 /nfs/dbraw/zinc/07/86/32/173078632.db2.gz FNRJMLWBTBARPG-CYBMUJFWSA-N 2 1 241.379 -0.062 10 0 BBAEMP C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000049474526 173039412 /nfs/dbraw/zinc/03/94/12/173039412.db2.gz IRGAHPNAOAZSHJ-JTQLQIEISA-N 2 1 211.309 -0.240 10 0 BBAEMP C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000049474527 188298654 /nfs/dbraw/zinc/29/86/54/188298654.db2.gz IRGAHPNAOAZSHJ-SNVBAGLBSA-N 2 1 211.309 -0.240 10 0 BBAEMP CC[NH2+]CCNCCC[NH+]1CCOCC1 ZINC000049475217 170115286 /nfs/dbraw/zinc/11/52/86/170115286.db2.gz IVBZCRMKVTWACM-UHFFFAOYSA-N 2 1 215.341 -0.092 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557535 173288530 /nfs/dbraw/zinc/28/85/30/173288530.db2.gz BAEOLRVGYCPTAY-IUCAKERBSA-N 2 1 244.339 -0.240 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557536 173288767 /nfs/dbraw/zinc/28/87/67/173288767.db2.gz BAEOLRVGYCPTAY-BDAKNGLRSA-N 2 1 244.339 -0.240 10 0 BBAEMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557537 173288005 /nfs/dbraw/zinc/28/80/05/173288005.db2.gz BAEOLRVGYCPTAY-DTWKUNHWSA-N 2 1 244.339 -0.240 10 0 BBAEMP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000049557538 173288015 /nfs/dbraw/zinc/28/80/15/173288015.db2.gz BAEOLRVGYCPTAY-RKDXNWHRSA-N 2 1 244.339 -0.240 10 0 BBAEMP [NH3+]CCS(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]12 ZINC000049568699 181401214 /nfs/dbraw/zinc/40/12/14/181401214.db2.gz GFEWRZDYSZRVSK-BDAKNGLRSA-N 2 1 233.337 -0.899 10 0 BBAEMP C[NH2+]CCS(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000049629809 173357404 /nfs/dbraw/zinc/35/74/04/173357404.db2.gz HHNCDHWRPALFDO-UHFFFAOYSA-N 2 1 235.353 -0.827 10 0 BBAEMP C[NH2+]CCS(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000049629809 173357403 /nfs/dbraw/zinc/35/74/03/173357403.db2.gz HHNCDHWRPALFDO-UHFFFAOYSA-N 2 1 235.353 -0.827 10 0 BBAEMP C[N@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645297 173154203 /nfs/dbraw/zinc/15/42/03/173154203.db2.gz GYSCGDXFNGACAA-VHSXEESVSA-N 2 1 247.364 -0.638 10 0 BBAEMP C[N@@H+]1CC[C@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645297 173154201 /nfs/dbraw/zinc/15/42/01/173154201.db2.gz GYSCGDXFNGACAA-VHSXEESVSA-N 2 1 247.364 -0.638 10 0 BBAEMP C[N@H+]1CC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645298 173124178 /nfs/dbraw/zinc/12/41/78/173124178.db2.gz GYSCGDXFNGACAA-NXEZZACHSA-N 2 1 247.364 -0.638 10 0 BBAEMP C[N@@H+]1CC[C@@H](NS(=O)(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000049645298 173124176 /nfs/dbraw/zinc/12/41/76/173124176.db2.gz GYSCGDXFNGACAA-NXEZZACHSA-N 2 1 247.364 -0.638 10 0 BBAEMP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000049645301 173154712 /nfs/dbraw/zinc/15/47/12/173154712.db2.gz KTMLRPXRDIAWRE-UWVGGRQHSA-N 2 1 247.364 -0.638 10 0 BBAEMP C[N@H+]1CC[C@H](NS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC000049645305 173155166 /nfs/dbraw/zinc/15/51/66/173155166.db2.gz QXEGHZPJIYYAEY-VIFPVBQESA-N 2 1 247.364 -0.638 10 0 BBAEMP C[N@@H+]1CC[C@H](NS(=O)(=O)C2CC[NH2+]CC2)C1 ZINC000049645305 173155164 /nfs/dbraw/zinc/15/51/64/173155164.db2.gz QXEGHZPJIYYAEY-VIFPVBQESA-N 2 1 247.364 -0.638 10 0 BBAEMP C[NH2+][C@@H]1CCN(C[C@H]2CC[N@@H+](C)C2)C1=O ZINC000049648825 188327618 /nfs/dbraw/zinc/32/76/18/188327618.db2.gz XEERDMVKLMDPIF-VHSXEESVSA-N 2 1 211.309 -0.242 10 0 BBAEMP C[C@@H]1C[NH2+]CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000049662288 176326135 /nfs/dbraw/zinc/32/61/35/176326135.db2.gz PWQYCLWUUBGOMQ-GHMZBOCLSA-N 2 1 214.309 -0.057 10 0 BBAEMP C[C@@H]1C[NH2+]CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000049662288 176326134 /nfs/dbraw/zinc/32/61/34/176326134.db2.gz PWQYCLWUUBGOMQ-GHMZBOCLSA-N 2 1 214.309 -0.057 10 0 BBAEMP C[C@H]1C[NH2+]CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000049662290 177283020 /nfs/dbraw/zinc/28/30/20/177283020.db2.gz PWQYCLWUUBGOMQ-WDEREUQCSA-N 2 1 214.309 -0.057 10 0 BBAEMP C[C@H]1C[NH2+]CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000049662290 177283018 /nfs/dbraw/zinc/28/30/18/177283018.db2.gz PWQYCLWUUBGOMQ-WDEREUQCSA-N 2 1 214.309 -0.057 10 0 BBAEMP CCOCCC[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000049821461 170373808 /nfs/dbraw/zinc/37/38/08/170373808.db2.gz VBLDHSLJNMMGSK-UHFFFAOYSA-N 2 1 229.324 -0.484 10 0 BBAEMP CC(C)OCCC[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000049831475 167212743 /nfs/dbraw/zinc/21/27/43/167212743.db2.gz BPKMSAXZQMSFMZ-UHFFFAOYSA-N 2 1 243.351 -0.096 10 0 BBAEMP C[NH+]1CCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000050248273 173067378 /nfs/dbraw/zinc/06/73/78/173067378.db2.gz WLZSWMXXIRLKSO-LLVKDONJSA-N 2 1 240.351 -0.959 10 0 BBAEMP C[NH+]1CCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248275 173067905 /nfs/dbraw/zinc/06/79/05/173067905.db2.gz WLZSWMXXIRLKSO-NSHDSACASA-N 2 1 240.351 -0.959 10 0 BBAEMP CC(C)[NH2+]C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000050271052 167092756 /nfs/dbraw/zinc/09/27/56/167092756.db2.gz YPYULWDGLJHPLJ-UHFFFAOYSA-N 2 1 220.338 -0.110 10 0 BBAEMP COc1cccc(OC[C@H](O)C[NH2+]CC[NH3+])c1 ZINC000050523487 175283974 /nfs/dbraw/zinc/28/39/74/175283974.db2.gz YGVQHVWRJJKISV-SNVBAGLBSA-N 2 1 240.303 -0.017 10 0 BBAEMP COc1cccc(OC[C@@H](O)C[NH2+]CC[NH3+])c1 ZINC000050523489 175283852 /nfs/dbraw/zinc/28/38/52/175283852.db2.gz YGVQHVWRJJKISV-JTQLQIEISA-N 2 1 240.303 -0.017 10 0 BBAEMP Cn1cc(C[N@H+]2CCCN(CC[NH3+])CC2)cn1 ZINC000050539185 343162637 /nfs/dbraw/zinc/16/26/37/343162637.db2.gz CYQAUSAORTWSLU-UHFFFAOYSA-N 2 1 237.351 -0.114 10 0 BBAEMP Cn1cc[nH+]c1N1CCN(CC[NH3+])CC1 ZINC000050605349 180752215 /nfs/dbraw/zinc/75/22/15/180752215.db2.gz OKHNGSFVJUFMKJ-UHFFFAOYSA-N 2 1 209.297 -0.499 10 0 BBAEMP CCn1cc[nH+]c1N1CCN(CC[NH3+])CC1 ZINC000050607918 172225527 /nfs/dbraw/zinc/22/55/27/172225527.db2.gz TWKRAGFVENEFEI-UHFFFAOYSA-N 2 1 223.324 -0.016 10 0 BBAEMP C[C@@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015886 176284994 /nfs/dbraw/zinc/28/49/94/176284994.db2.gz UBQBDJLBOHBYFI-SNVBAGLBSA-N 2 1 214.309 -0.178 10 0 BBAEMP C[C@H]1C[N@@H+](CC2(O)CC[NH2+]CC2)CCO1 ZINC000051015888 177245307 /nfs/dbraw/zinc/24/53/07/177245307.db2.gz UBQBDJLBOHBYFI-JTQLQIEISA-N 2 1 214.309 -0.178 10 0 BBAEMP CN1CCC[N@@H+](CC2(O)CC[NH2+]CC2)CC1 ZINC000051015899 173015426 /nfs/dbraw/zinc/01/54/26/173015426.db2.gz KHZCXBQLMMZVLJ-UHFFFAOYSA-N 2 1 227.352 -0.262 10 0 BBAEMP NC(=O)[C@H]1CCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015905 181281968 /nfs/dbraw/zinc/28/19/68/181281968.db2.gz GXOYOENOGILXEI-SECBINFHSA-N 2 1 227.308 -0.949 10 0 BBAEMP NC(=O)[C@@H]1CCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015907 181269203 /nfs/dbraw/zinc/26/92/03/181269203.db2.gz GXOYOENOGILXEI-VIFPVBQESA-N 2 1 227.308 -0.949 10 0 BBAEMP C[C@@H]1COCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015955 176336444 /nfs/dbraw/zinc/33/64/44/176336444.db2.gz FTUJBVBVPDCFIL-SNVBAGLBSA-N 2 1 214.309 -0.178 10 0 BBAEMP C[C@H]1COCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051015957 177291025 /nfs/dbraw/zinc/29/10/25/177291025.db2.gz FTUJBVBVPDCFIL-JTQLQIEISA-N 2 1 214.309 -0.178 10 0 BBAEMP CCCNC(=O)C[N@@H+](C)CC1(O)CC[NH2+]CC1 ZINC000051016104 169219784 /nfs/dbraw/zinc/21/97/84/169219784.db2.gz JJLPTJZJZFYDKD-UHFFFAOYSA-N 2 1 243.351 -0.441 10 0 BBAEMP NC(=O)[C@@H]1CCCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051016131 181267450 /nfs/dbraw/zinc/26/74/50/181267450.db2.gz ZJRJXXRJPDMFQN-JTQLQIEISA-N 2 1 241.335 -0.559 10 0 BBAEMP NC(=O)[C@H]1CCCC[N@H+]1CC1(O)CC[NH2+]CC1 ZINC000051016133 181279607 /nfs/dbraw/zinc/27/96/07/181279607.db2.gz ZJRJXXRJPDMFQN-SNVBAGLBSA-N 2 1 241.335 -0.559 10 0 BBAEMP OC1(C[N@H+]2CCCNCC2)CC[NH2+]CC1 ZINC000051016280 183019218 /nfs/dbraw/zinc/01/92/18/183019218.db2.gz CGGWXWVSTVJPKO-UHFFFAOYSA-N 2 1 213.325 -0.604 10 0 BBAEMP OC1(C[N@@H+]2CCCNCC2)CC[NH2+]CC1 ZINC000051016280 183019216 /nfs/dbraw/zinc/01/92/16/183019216.db2.gz CGGWXWVSTVJPKO-UHFFFAOYSA-N 2 1 213.325 -0.604 10 0 BBAEMP OC1(CN2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000051016280 183019213 /nfs/dbraw/zinc/01/92/13/183019213.db2.gz CGGWXWVSTVJPKO-UHFFFAOYSA-N 2 1 213.325 -0.604 10 0 BBAEMP OC1(C[N@H+]2CCC[NH2+]CC2)CC[NH2+]CC1 ZINC000051016280 183019211 /nfs/dbraw/zinc/01/92/11/183019211.db2.gz CGGWXWVSTVJPKO-UHFFFAOYSA-N 3 1 213.325 -0.604 10 0 BBAEMP C[N@H+]1CCCN(C[C@]2(C[NH3+])CCOC2)CC1 ZINC000051213732 173015834 /nfs/dbraw/zinc/01/58/34/173015834.db2.gz JIVHQQJUBMYVJB-GFCCVEGCSA-N 2 1 227.352 -0.011 10 0 BBAEMP C[NH2+]C[C@]1(C[N@@H+](C)C[C@H](O)COC)CCOC1 ZINC000051284502 173384144 /nfs/dbraw/zinc/38/41/44/173384144.db2.gz LWHRKQLPEYCCNK-RYUDHWBXSA-N 2 1 246.351 -0.448 10 0 BBAEMP C[NH2+]C[C@@]1(C[N@@H+](C)C[C@H](O)COC)CCOC1 ZINC000051284504 173373617 /nfs/dbraw/zinc/37/36/17/173373617.db2.gz LWHRKQLPEYCCNK-NWDGAFQWSA-N 2 1 246.351 -0.448 10 0 BBAEMP C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nn1 ZINC000051399552 132360654 /nfs/dbraw/zinc/36/06/54/132360654.db2.gz IPSFCXOPDKOWPV-UHFFFAOYSA-N 2 1 221.308 -0.052 10 0 BBAEMP CNC(=O)CC[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000051757636 173251735 /nfs/dbraw/zinc/25/17/35/173251735.db2.gz RECJZWMRLKGUNB-UHFFFAOYSA-N 2 1 242.367 -0.521 10 0 BBAEMP C[NH+]1CCN(C(=O)CO[C@@H]2CC[NH2+]C2)CC1 ZINC000051782511 173066467 /nfs/dbraw/zinc/06/64/67/173066467.db2.gz HMKDCHMGWJLGMF-SNVBAGLBSA-N 2 1 227.308 -0.861 10 0 BBAEMP C[NH+]1CCN(C(=O)CO[C@H]2CC[NH2+]C2)CC1 ZINC000051782513 173066634 /nfs/dbraw/zinc/06/66/34/173066634.db2.gz HMKDCHMGWJLGMF-JTQLQIEISA-N 2 1 227.308 -0.861 10 0 BBAEMP C[NH+]1CCN(C(=O)COC[C@@H]2CCC[NH2+]2)CC1 ZINC000051816451 173067851 /nfs/dbraw/zinc/06/78/51/173067851.db2.gz SQTDTYJUSQIHII-NSHDSACASA-N 2 1 241.335 -0.471 10 0 BBAEMP C[NH+]1CCN(C(=O)COC[C@H]2CCC[NH2+]2)CC1 ZINC000051816452 173067827 /nfs/dbraw/zinc/06/78/27/173067827.db2.gz SQTDTYJUSQIHII-LLVKDONJSA-N 2 1 241.335 -0.471 10 0 BBAEMP CCC[NH2+]CCOCC(=O)N1CC[NH+](C)CC1 ZINC000051844850 169260658 /nfs/dbraw/zinc/26/06/58/169260658.db2.gz XDFMCMIFIKKBGY-UHFFFAOYSA-N 2 1 243.351 -0.223 10 0 BBAEMP CC(C)[NH2+]CCOCC(=O)N1CC[NH+](C)CC1 ZINC000051863009 167107659 /nfs/dbraw/zinc/10/76/59/167107659.db2.gz YJWXELMTRKXABJ-UHFFFAOYSA-N 2 1 243.351 -0.225 10 0 BBAEMP NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889385 181280814 /nfs/dbraw/zinc/28/08/14/181280814.db2.gz JYTGTXXTYQNGQE-ZJUUUORDSA-N 2 1 211.309 -0.207 10 0 BBAEMP NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000051889387 181268974 /nfs/dbraw/zinc/26/89/74/181268974.db2.gz JYTGTXXTYQNGQE-NXEZZACHSA-N 2 1 211.309 -0.207 10 0 BBAEMP Cc1[nH+]cn(CC(=O)N2CC[NH2+]CC2)c1C ZINC000051927071 180286229 /nfs/dbraw/zinc/28/62/29/180286229.db2.gz MIUYSBDKWHXPFA-UHFFFAOYSA-N 2 1 222.292 -0.068 10 0 BBAEMP CC[NH2+][C@@H](Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928165 632764857 /nfs/dbraw/zinc/76/48/57/632764857.db2.gz PTSIEYGVZSPSFU-VIFPVBQESA-N 2 1 210.281 -0.037 10 0 BBAEMP CC[NH2+][C@H](Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928166 632765411 /nfs/dbraw/zinc/76/54/11/632765411.db2.gz PTSIEYGVZSPSFU-SECBINFHSA-N 2 1 210.281 -0.037 10 0 BBAEMP C[NH2+][C@@](C)(Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928181 632764890 /nfs/dbraw/zinc/76/48/90/632764890.db2.gz CKSLVFQVXXIFEM-JTQLQIEISA-N 2 1 210.281 -0.037 10 0 BBAEMP C[NH2+][C@](C)(Cn1c[nH+]c(C)c1C)C(N)=O ZINC000051928182 632765383 /nfs/dbraw/zinc/76/53/83/632765383.db2.gz CKSLVFQVXXIFEM-SNVBAGLBSA-N 2 1 210.281 -0.037 10 0 BBAEMP CCCNC(=[NH2+])NC1CC[NH+](CC(N)=O)CC1 ZINC000052042761 169211711 /nfs/dbraw/zinc/21/17/11/169211711.db2.gz ABWAZGGODIMUJG-UHFFFAOYSA-N 2 1 241.339 -0.540 10 0 BBAEMP CN1CC[NH+](CC2(C[NH3+])CCOCC2)CC1 ZINC000052180728 173079164 /nfs/dbraw/zinc/07/91/64/173079164.db2.gz MGVPUIZKPWKGQH-UHFFFAOYSA-N 2 1 227.352 -0.011 10 0 BBAEMP C[NH+]1CCN(Cc2cc(C[NH3+])no2)CC1 ZINC000052379429 173088142 /nfs/dbraw/zinc/08/81/42/173088142.db2.gz PBTNHQDHADSYSM-UHFFFAOYSA-N 2 1 210.281 -0.119 10 0 BBAEMP C[NH+]1CCN(C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052379431 173084760 /nfs/dbraw/zinc/08/47/60/173084760.db2.gz OSDAUSQCMRBKCS-MNOVXSKESA-N 2 1 213.325 -0.260 10 0 BBAEMP C[NH+]1CCN(C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052379433 173085630 /nfs/dbraw/zinc/08/56/30/173085630.db2.gz OSDAUSQCMRBKCS-GHMZBOCLSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[NH+]1CCN(C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052379435 173085923 /nfs/dbraw/zinc/08/59/23/173085923.db2.gz OSDAUSQCMRBKCS-QWRGUYRKSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[NH+]1CCN(C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052379437 173084971 /nfs/dbraw/zinc/08/49/71/173084971.db2.gz OSDAUSQCMRBKCS-WDEREUQCSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[C@@H]1C[N@H+](CCn2cc(C[NH3+])nn2)C[C@H](C)O1 ZINC000052380598 177256087 /nfs/dbraw/zinc/25/60/87/177256087.db2.gz TWVHANOXVSLNCE-AOOOYVTPSA-N 2 1 239.323 -0.154 10 0 BBAEMP C[C@@H]1C[N@@H+](CCn2cc(C[NH3+])nn2)C[C@H](C)O1 ZINC000052380598 177256085 /nfs/dbraw/zinc/25/60/85/177256085.db2.gz TWVHANOXVSLNCE-AOOOYVTPSA-N 2 1 239.323 -0.154 10 0 BBAEMP C[C@H]1C[NH+](CCn2cc(C[NH3+])nn2)C[C@H](C)O1 ZINC000052380600 177256435 /nfs/dbraw/zinc/25/64/35/177256435.db2.gz TWVHANOXVSLNCE-UWVGGRQHSA-N 2 1 239.323 -0.154 10 0 BBAEMP C[C@@H]1C[NH+](CCn2cc(C[NH3+])nn2)C[C@@H](C)O1 ZINC000052380602 176296540 /nfs/dbraw/zinc/29/65/40/176296540.db2.gz 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C[C@H]1C[N@@H+](CCn2cc(C[NH3+])nn2)CCCO1 ZINC000061935616 177255467 /nfs/dbraw/zinc/25/54/67/177255467.db2.gz OOZXXPQBPLCSLK-JTQLQIEISA-N 2 1 239.323 -0.152 10 0 BBAEMP C[C@H]1CN([C@]2(C[NH3+])CC[N@@H+](C)C2)CCO1 ZINC000061990027 177276406 /nfs/dbraw/zinc/27/64/06/177276406.db2.gz GQVXMCNVWSOKEZ-QWRGUYRKSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[NH+]1CC[C@@](C[NH3+])(N2CCC[N@@H+](C)CC2)C1 ZINC000061990122 173016464 /nfs/dbraw/zinc/01/64/64/173016464.db2.gz PTRCKPYWFCGJRE-LBPRGKRZSA-N 3 1 226.368 -0.343 10 0 BBAEMP C[NH+]1CC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)C1 ZINC000061990122 173016463 /nfs/dbraw/zinc/01/64/63/173016463.db2.gz PTRCKPYWFCGJRE-LBPRGKRZSA-N 3 1 226.368 -0.343 10 0 BBAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCC[NH+](C)CC2)C1 ZINC000061990122 173016460 /nfs/dbraw/zinc/01/64/60/173016460.db2.gz PTRCKPYWFCGJRE-LBPRGKRZSA-N 3 1 226.368 -0.343 10 0 BBAEMP C[N@@H+]1CC[C@@](C[NH3+])(N2CCC[NH+](C)CC2)C1 ZINC000061990122 173016458 /nfs/dbraw/zinc/01/64/58/173016458.db2.gz PTRCKPYWFCGJRE-LBPRGKRZSA-N 3 1 226.368 -0.343 10 0 BBAEMP CN1CC[C@@](C[NH3+])(N2CCC[N@@H+](C)CC2)C1 ZINC000061990122 173016456 /nfs/dbraw/zinc/01/64/56/173016456.db2.gz PTRCKPYWFCGJRE-LBPRGKRZSA-N 2 1 226.368 -0.343 10 0 BBAEMP C[C@@H]1COCCN1[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990254 176336998 /nfs/dbraw/zinc/33/69/98/176336998.db2.gz MJFIHVNAIKYKDY-MNOVXSKESA-N 2 1 213.325 -0.260 10 0 BBAEMP C[C@H]1COCCN1[C@]1(C[NH3+])CC[N@@H+](C)C1 ZINC000061990255 177293656 /nfs/dbraw/zinc/29/36/56/177293656.db2.gz MJFIHVNAIKYKDY-QWRGUYRKSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[N@H+]1CC[C@@](C[NH3+])(N2CCCOCC2)C1 ZINC000061990828 173136263 /nfs/dbraw/zinc/13/62/63/173136263.db2.gz JDOJIIYNDKZTND-NSHDSACASA-N 2 1 213.325 -0.258 10 0 BBAEMP C[N@H+]1CC[C@](C[NH3+])(N2CCCOCC2)C1 ZINC000061990829 173162597 /nfs/dbraw/zinc/16/25/97/173162597.db2.gz JDOJIIYNDKZTND-LLVKDONJSA-N 2 1 213.325 -0.258 10 0 BBAEMP C[N@H+]1CC[C@@](CO)(N2CCC[NH2+]CC2)C1 ZINC000061992142 173136338 /nfs/dbraw/zinc/13/63/38/173136338.db2.gz RMCSMBLHYMVQSQ-LLVKDONJSA-N 2 1 213.325 -0.652 10 0 BBAEMP C[N@H+]1CC[C@](CO)(N2CCC[NH2+]CC2)C1 ZINC000061992143 173162149 /nfs/dbraw/zinc/16/21/49/173162149.db2.gz RMCSMBLHYMVQSQ-NSHDSACASA-N 2 1 213.325 -0.652 10 0 BBAEMP COCCC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000062031636 174217906 /nfs/dbraw/zinc/21/79/06/174217906.db2.gz HHPPWVSNUPHVGM-NSHDSACASA-N 2 1 243.351 -0.225 10 0 BBAEMP COCCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000062031637 174221036 /nfs/dbraw/zinc/22/10/36/174221036.db2.gz HHPPWVSNUPHVGM-LLVKDONJSA-N 2 1 243.351 -0.225 10 0 BBAEMP O=C1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1 ZINC000062100539 386566667 /nfs/dbraw/zinc/56/66/67/386566667.db2.gz HAHNELOIQJAYTO-JTQLQIEISA-N 2 1 211.309 -0.192 10 0 BBAEMP O=C1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1 ZINC000062100540 386565363 /nfs/dbraw/zinc/56/53/63/386565363.db2.gz HAHNELOIQJAYTO-SNVBAGLBSA-N 2 1 211.309 -0.192 10 0 BBAEMP CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062112454 350539698 /nfs/dbraw/zinc/53/96/98/350539698.db2.gz PWWKEPOQAWHTDU-SNVBAGLBSA-N 2 1 211.309 -0.240 10 0 BBAEMP CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062112455 350539406 /nfs/dbraw/zinc/53/94/06/350539406.db2.gz PWWKEPOQAWHTDU-JTQLQIEISA-N 2 1 211.309 -0.240 10 0 BBAEMP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000062115376 386503071 /nfs/dbraw/zinc/50/30/71/386503071.db2.gz NNDQPHWWSRKCNP-SNVBAGLBSA-N 2 1 223.320 -0.098 10 0 BBAEMP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000062115377 386502479 /nfs/dbraw/zinc/50/24/79/386502479.db2.gz NNDQPHWWSRKCNP-JTQLQIEISA-N 2 1 223.320 -0.098 10 0 BBAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115850 173045843 /nfs/dbraw/zinc/04/58/43/173045843.db2.gz IPYCMLZYHRBIKG-ZJUUUORDSA-N 2 1 211.309 -0.194 10 0 BBAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115851 173021074 /nfs/dbraw/zinc/02/10/74/173021074.db2.gz IPYCMLZYHRBIKG-NXEZZACHSA-N 2 1 211.309 -0.194 10 0 BBAEMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062116628 182335282 /nfs/dbraw/zinc/33/52/82/182335282.db2.gz SEWCENCOWDWGHM-ZJUUUORDSA-N 2 1 223.320 -0.051 10 0 BBAEMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000062116629 182303196 /nfs/dbraw/zinc/30/31/96/182303196.db2.gz SEWCENCOWDWGHM-NXEZZACHSA-N 2 1 223.320 -0.051 10 0 BBAEMP CCC[NH+]1CCN(CC[C@H]([NH3+])C(=O)OC)CC1 ZINC000062439633 169203796 /nfs/dbraw/zinc/20/37/96/169203796.db2.gz DWQOURMPHVENEO-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP CCC[NH+]1CCN(CC[C@@H]([NH3+])C(=O)OC)CC1 ZINC000062439636 169202913 /nfs/dbraw/zinc/20/29/13/169202913.db2.gz DWQOURMPHVENEO-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP CCOC(=O)[C@@H]([NH3+])CCN1CC[NH+](CC)CC1 ZINC000062439761 170252711 /nfs/dbraw/zinc/25/27/11/170252711.db2.gz ZVMIWRUCHCEYJG-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP CCOC(=O)[C@H]([NH3+])CCN1CC[NH+](CC)CC1 ZINC000062439763 170274197 /nfs/dbraw/zinc/27/41/97/170274197.db2.gz ZVMIWRUCHCEYJG-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP CN(CC[C@H]([NH3+])C(N)=O)C1CC[NH+](C)CC1 ZINC000062443154 539016420 /nfs/dbraw/zinc/01/64/20/539016420.db2.gz NJFTWMVJNOAQEK-JTQLQIEISA-N 2 1 228.340 -0.785 10 0 BBAEMP CN(CC[C@@H]([NH3+])C(N)=O)C1CC[NH+](C)CC1 ZINC000062443158 539016808 /nfs/dbraw/zinc/01/68/08/539016808.db2.gz NJFTWMVJNOAQEK-SNVBAGLBSA-N 2 1 228.340 -0.785 10 0 BBAEMP CC[NH2+][C@@H](CCN1CCC[N@@H+](C)CC1)C(N)=O ZINC000062444219 170144636 /nfs/dbraw/zinc/14/46/36/170144636.db2.gz LOVNDTCFKLDUPH-NSHDSACASA-N 2 1 242.367 -0.523 10 0 BBAEMP CC[NH2+][C@H](CCN1CCC[N@@H+](C)CC1)C(N)=O ZINC000062444220 170161850 /nfs/dbraw/zinc/16/18/50/170161850.db2.gz LOVNDTCFKLDUPH-LLVKDONJSA-N 2 1 242.367 -0.523 10 0 BBAEMP CC(C)CN(CC[C@@H]([NH3+])C(N)=O)CC[NH+](C)C ZINC000062456174 166960215 /nfs/dbraw/zinc/96/02/15/166960215.db2.gz BSTAVLDWGHBNRU-LLVKDONJSA-N 2 1 244.383 -0.291 10 0 BBAEMP CCc1[nH+]ccn1CC[C@H]([NH2+]C)C(N)=O ZINC000062537368 641059644 /nfs/dbraw/zinc/05/96/44/641059644.db2.gz KHWJKVGANCQMKK-QMMMGPOBSA-N 2 1 210.281 -0.091 10 0 BBAEMP CCc1[nH+]ccn1CC[C@@H]([NH2+]C)C(N)=O ZINC000062537373 641059873 /nfs/dbraw/zinc/05/98/73/641059873.db2.gz KHWJKVGANCQMKK-MRVPVSSYSA-N 2 1 210.281 -0.091 10 0 BBAEMP C[NH2+][C@H](CCn1c[nH+]c(C)c1C)C(N)=O ZINC000062538669 641056561 /nfs/dbraw/zinc/05/65/61/641056561.db2.gz OUVVFDVUYOXUHP-SECBINFHSA-N 2 1 210.281 -0.037 10 0 BBAEMP CN(C(=O)[C@@H]1C[NH2+]CCN1)[C@H]1CCC[N@@H+](C)C1 ZINC000062813552 173044752 /nfs/dbraw/zinc/04/47/52/173044752.db2.gz XBSPWZYMXYRSCX-QWRGUYRKSA-N 2 1 240.351 -0.900 10 0 BBAEMP CN(C)[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000062965801 411334405 /nfs/dbraw/zinc/33/44/05/411334405.db2.gz IJJYHEAZWVJLKR-GFCCVEGCSA-N 2 1 226.368 -0.473 10 0 BBAEMP CN(C)[C@@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000062965801 411334402 /nfs/dbraw/zinc/33/44/02/411334402.db2.gz IJJYHEAZWVJLKR-GFCCVEGCSA-N 2 1 226.368 -0.473 10 0 BBAEMP CN(C)[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000062965802 411334460 /nfs/dbraw/zinc/33/44/60/411334460.db2.gz IJJYHEAZWVJLKR-LBPRGKRZSA-N 2 1 226.368 -0.473 10 0 BBAEMP CN(C)[C@H]1CC[N@H+](CCN2CC[NH2+]CC2)C1 ZINC000062965802 411334457 /nfs/dbraw/zinc/33/44/57/411334457.db2.gz IJJYHEAZWVJLKR-LBPRGKRZSA-N 2 1 226.368 -0.473 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000062972161 134394724 /nfs/dbraw/zinc/39/47/24/134394724.db2.gz YZUDMTPOFNNGKT-BDAKNGLRSA-N 2 1 229.349 -0.189 10 0 BBAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000062972162 386666200 /nfs/dbraw/zinc/66/62/00/386666200.db2.gz YZUDMTPOFNNGKT-IUCAKERBSA-N 2 1 229.349 -0.189 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000062972163 387190280 /nfs/dbraw/zinc/19/02/80/387190280.db2.gz YZUDMTPOFNNGKT-RKDXNWHRSA-N 2 1 229.349 -0.189 10 0 BBAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000062972164 386666104 /nfs/dbraw/zinc/66/61/04/386666104.db2.gz YZUDMTPOFNNGKT-DTWKUNHWSA-N 2 1 229.349 -0.189 10 0 BBAEMP [NH3+]CCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062973777 411334435 /nfs/dbraw/zinc/33/44/35/411334435.db2.gz VONTTZBNPBZRNC-LLVKDONJSA-N 2 1 213.325 -0.258 10 0 BBAEMP [NH3+]CCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062973778 411335085 /nfs/dbraw/zinc/33/50/85/411335085.db2.gz VONTTZBNPBZRNC-NSHDSACASA-N 2 1 213.325 -0.258 10 0 BBAEMP C[C@H]([NH3+])CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062979636 411330524 /nfs/dbraw/zinc/33/05/24/411330524.db2.gz OYURMBNWGMNWRW-QWRGUYRKSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062979637 411330284 /nfs/dbraw/zinc/33/02/84/411330284.db2.gz OYURMBNWGMNWRW-MNOVXSKESA-N 2 1 213.325 -0.260 10 0 BBAEMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@](C)(N)C(N)=O ZINC000063121733 172984706 /nfs/dbraw/zinc/98/47/06/172984706.db2.gz GYIJDASRSHQDCJ-LBPRGKRZSA-N 2 1 242.367 -0.537 10 0 BBAEMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C(CO)CO)C2 ZINC000067854702 173165949 /nfs/dbraw/zinc/16/59/49/173165949.db2.gz DUEWKMIGJSWBAP-GFCCVEGCSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C(CO)CO)C2 ZINC000067854702 173165946 /nfs/dbraw/zinc/16/59/46/173165946.db2.gz DUEWKMIGJSWBAP-GFCCVEGCSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C(CO)CO)C2 ZINC000067854702 173165944 /nfs/dbraw/zinc/16/59/44/173165944.db2.gz DUEWKMIGJSWBAP-GFCCVEGCSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C(CO)CO)C2 ZINC000067854702 173165942 /nfs/dbraw/zinc/16/59/42/173165942.db2.gz DUEWKMIGJSWBAP-GFCCVEGCSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C(CO)CO)C2 ZINC000067854703 173138783 /nfs/dbraw/zinc/13/87/83/173138783.db2.gz DUEWKMIGJSWBAP-LBPRGKRZSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C(CO)CO)C2 ZINC000067854703 173138780 /nfs/dbraw/zinc/13/87/80/173138780.db2.gz DUEWKMIGJSWBAP-LBPRGKRZSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C(CO)CO)C2 ZINC000067854703 173138776 /nfs/dbraw/zinc/13/87/76/173138776.db2.gz DUEWKMIGJSWBAP-LBPRGKRZSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C(CO)CO)C2 ZINC000067854703 173138774 /nfs/dbraw/zinc/13/87/74/173138774.db2.gz DUEWKMIGJSWBAP-LBPRGKRZSA-N 2 1 228.336 -0.243 10 0 BBAEMP C[C@@H]1CC(C)(C)NCC[NH2+]CCNCC[NH2+]1 ZINC000068606304 176052743 /nfs/dbraw/zinc/05/27/43/176052743.db2.gz MGCDCXPCHTVINT-LLVKDONJSA-N 2 1 228.384 -0.084 10 0 BBAEMP C[C@H]1CC(C)(C)NCC[NH2+]CCNCC[NH2+]1 ZINC000068606307 177064172 /nfs/dbraw/zinc/06/41/72/177064172.db2.gz MGCDCXPCHTVINT-NSHDSACASA-N 2 1 228.384 -0.084 10 0 BBAEMP Cc1[nH+]ccn1C[C@]([NH3+])(C(N)=O)C1CC1 ZINC000068943105 582594186 /nfs/dbraw/zinc/59/41/86/582594186.db2.gz AKSJFZIPLMLZPP-SNVBAGLBSA-N 2 1 208.265 -0.216 10 0 BBAEMP Cc1[nH+]ccn1C[C@@]([NH3+])(C(N)=O)C1CC1 ZINC000068943108 582594842 /nfs/dbraw/zinc/59/48/42/582594842.db2.gz AKSJFZIPLMLZPP-JTQLQIEISA-N 2 1 208.265 -0.216 10 0 BBAEMP [NH3+]C[C@@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000068955259 373096751 /nfs/dbraw/zinc/09/67/51/373096751.db2.gz BDQSTJZHJIZOKP-SNVBAGLBSA-N 2 1 200.282 -0.175 10 0 BBAEMP [NH3+]C[C@@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000068955259 373096741 /nfs/dbraw/zinc/09/67/41/373096741.db2.gz BDQSTJZHJIZOKP-SNVBAGLBSA-N 2 1 200.282 -0.175 10 0 BBAEMP [NH3+]C[C@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000068955262 373096624 /nfs/dbraw/zinc/09/66/24/373096624.db2.gz BDQSTJZHJIZOKP-JTQLQIEISA-N 2 1 200.282 -0.175 10 0 BBAEMP [NH3+]C[C@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000068955262 373096616 /nfs/dbraw/zinc/09/66/16/373096616.db2.gz BDQSTJZHJIZOKP-JTQLQIEISA-N 2 1 200.282 -0.175 10 0 BBAEMP [NH3+]CCCCC(=O)N1CC[NH+](CCO)CC1 ZINC000069733011 373671677 /nfs/dbraw/zinc/67/16/77/373671677.db2.gz HHKFBXHOTNYBBU-UHFFFAOYSA-N 2 1 229.324 -0.748 10 0 BBAEMP CCCc1[nH+]ccn1C[C@H]([NH2+]C)C(N)=O ZINC000069964605 541307679 /nfs/dbraw/zinc/30/76/79/541307679.db2.gz KIXRNKVLVNEHNO-QMMMGPOBSA-N 2 1 210.281 -0.091 10 0 BBAEMP CCCc1[nH+]ccn1C[C@@H]([NH2+]C)C(N)=O ZINC000069964608 541307944 /nfs/dbraw/zinc/30/79/44/541307944.db2.gz KIXRNKVLVNEHNO-MRVPVSSYSA-N 2 1 210.281 -0.091 10 0 BBAEMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCOC2)C1 ZINC000070069918 181395120 /nfs/dbraw/zinc/39/51/20/181395120.db2.gz CWIRUPZJPYEWJL-WDEREUQCSA-N 2 1 241.335 -0.438 10 0 BBAEMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1 ZINC000070069919 181394367 /nfs/dbraw/zinc/39/43/67/181394367.db2.gz CWIRUPZJPYEWJL-GHMZBOCLSA-N 2 1 241.335 -0.438 10 0 BBAEMP COCCNc1nc(NCC[NH3+])cc[nH+]1 ZINC000070451251 174343030 /nfs/dbraw/zinc/34/30/30/174343030.db2.gz RPHAOUQBIUMWQQ-UHFFFAOYSA-N 2 1 211.269 -0.095 10 0 BBAEMP CC(C)(O)C[NH+]1CCN(C(N)=[NH2+])CC1 ZINC000070601408 343953081 /nfs/dbraw/zinc/95/30/81/343953081.db2.gz KWHUHIHJYSJMIK-UHFFFAOYSA-N 2 1 200.286 -0.732 10 0 BBAEMP CCNC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150854 170049253 /nfs/dbraw/zinc/04/92/53/170049253.db2.gz QERQREJFMMSEFL-UHFFFAOYSA-N 2 1 242.367 -0.650 10 0 BBAEMP CC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071190814 170145299 /nfs/dbraw/zinc/14/52/99/170145299.db2.gz MYEONCNNONEHNN-MNOVXSKESA-N 2 1 242.367 -0.667 10 0 BBAEMP CC[NH2+][C@H](CN(C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071190815 170162228 /nfs/dbraw/zinc/16/22/28/170162228.db2.gz MYEONCNNONEHNN-GHMZBOCLSA-N 2 1 242.367 -0.667 10 0 BBAEMP COCC[N@@H+](CCC[NH3+])CCN1CCNC1=O ZINC000071225155 174291351 /nfs/dbraw/zinc/29/13/51/174291351.db2.gz ZPLKOEKWWIZBOB-UHFFFAOYSA-N 2 1 244.339 -0.691 10 0 BBAEMP COCC[N@H+](CCC[NH3+])CCN1CCNC1=O ZINC000071225155 174291350 /nfs/dbraw/zinc/29/13/50/174291350.db2.gz ZPLKOEKWWIZBOB-UHFFFAOYSA-N 2 1 244.339 -0.691 10 0 BBAEMP COCC[N@@H+](CCC[NH3+])[C@@H]1CCCCNC1=O ZINC000071225204 174291465 /nfs/dbraw/zinc/29/14/65/174291465.db2.gz HBQFKKPEGSKWFW-LLVKDONJSA-N 2 1 243.351 -0.048 10 0 BBAEMP COCC[N@H+](CCC[NH3+])[C@@H]1CCCCNC1=O ZINC000071225204 174291463 /nfs/dbraw/zinc/29/14/63/174291463.db2.gz HBQFKKPEGSKWFW-LLVKDONJSA-N 2 1 243.351 -0.048 10 0 BBAEMP COCC[N@@H+](CCC[NH3+])[C@H]1CCCCNC1=O ZINC000071225208 174290528 /nfs/dbraw/zinc/29/05/28/174290528.db2.gz HBQFKKPEGSKWFW-NSHDSACASA-N 2 1 243.351 -0.048 10 0 BBAEMP COCC[N@H+](CCC[NH3+])[C@H]1CCCCNC1=O ZINC000071225208 174290527 /nfs/dbraw/zinc/29/05/27/174290527.db2.gz HBQFKKPEGSKWFW-NSHDSACASA-N 2 1 243.351 -0.048 10 0 BBAEMP CCCN1CC[NH+](C[C@@H](O)CC[NH3+])CC1 ZINC000071519436 169202421 /nfs/dbraw/zinc/20/24/21/169202421.db2.gz VFIAOBMQAHODBB-NSHDSACASA-N 2 1 215.341 -0.276 10 0 BBAEMP C[NH2+]CC1(O)CC[NH+](CCC[NH+](C)C)CC1 ZINC000071534307 173338202 /nfs/dbraw/zinc/33/82/02/173338202.db2.gz CWFVTZANOZMEBH-UHFFFAOYSA-N 3 1 229.368 -0.016 10 0 BBAEMP CCOC(=O)N1CC[NH+](C[C@H](O)CC[NH3+])CC1 ZINC000071559854 170239812 /nfs/dbraw/zinc/23/98/12/170239812.db2.gz HWUCYPAJTBLJGO-SNVBAGLBSA-N 2 1 245.323 -0.530 10 0 BBAEMP CCOC(=O)N1CC[NH+](C[C@@H](O)CC[NH3+])CC1 ZINC000071559855 170240129 /nfs/dbraw/zinc/24/01/29/170240129.db2.gz HWUCYPAJTBLJGO-JTQLQIEISA-N 2 1 245.323 -0.530 10 0 BBAEMP CNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC000073296826 173209915 /nfs/dbraw/zinc/20/99/15/173209915.db2.gz QSCWCVPGABUFIS-LURJTMIESA-N 2 1 202.258 -0.989 10 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/nfs/dbraw/zinc/33/06/07/177330607.db2.gz BSNDBZKSJFOHGQ-WCABBAIRSA-N 2 1 216.325 -0.342 10 0 BBAEMP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000083872941 487955318 /nfs/dbraw/zinc/95/53/18/487955318.db2.gz FTIJBSXLLASWJW-IUCAKERBSA-N 2 1 215.297 -0.959 10 0 BBAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873514 491126634 /nfs/dbraw/zinc/12/66/34/491126634.db2.gz QFWQHIIWECXFDV-JTQLQIEISA-N 2 1 229.324 -0.569 10 0 BBAEMP CC(C)[N@H+](C)CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083873514 491126633 /nfs/dbraw/zinc/12/66/33/491126633.db2.gz QFWQHIIWECXFDV-JTQLQIEISA-N 2 1 229.324 -0.569 10 0 BBAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083873516 384807602 /nfs/dbraw/zinc/80/76/02/384807602.db2.gz QFWQHIIWECXFDV-SNVBAGLBSA-N 2 1 229.324 -0.569 10 0 BBAEMP CC(C)[N@H+](C)CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000083873516 384807597 /nfs/dbraw/zinc/80/75/97/384807597.db2.gz QFWQHIIWECXFDV-SNVBAGLBSA-N 2 1 229.324 -0.569 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH2+]2)C1 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10 0 BBAEMP CC[N@H+]1CCC[C@@H](NC(=O)COCC[NH3+])C1 ZINC000086434709 487504795 /nfs/dbraw/zinc/50/47/95/487504795.db2.gz VJNJVXVYCZXMPV-SNVBAGLBSA-N 2 1 229.324 -0.438 10 0 BBAEMP CN(C)[C@@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000086435731 487507000 /nfs/dbraw/zinc/50/70/00/487507000.db2.gz SMISAUPLDJULEB-SNVBAGLBSA-N 2 1 201.314 -0.402 10 0 BBAEMP CN(C)[C@@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000086435731 487506993 /nfs/dbraw/zinc/50/69/93/487506993.db2.gz SMISAUPLDJULEB-SNVBAGLBSA-N 2 1 201.314 -0.402 10 0 BBAEMP CN(C)[C@H]1CC[N@@H+](CCOCC[NH3+])C1 ZINC000086435733 487507122 /nfs/dbraw/zinc/50/71/22/487507122.db2.gz SMISAUPLDJULEB-JTQLQIEISA-N 2 1 201.314 -0.402 10 0 BBAEMP CN(C)[C@H]1CC[N@H+](CCOCC[NH3+])C1 ZINC000086435733 487507120 /nfs/dbraw/zinc/50/71/20/487507120.db2.gz SMISAUPLDJULEB-JTQLQIEISA-N 2 1 201.314 -0.402 10 0 BBAEMP C([C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932578 487588900 /nfs/dbraw/zinc/58/89/00/487588900.db2.gz XDRRRVJCIXSEFC-NEPJUHHUSA-N 2 1 225.336 -0.245 10 0 BBAEMP C([C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000086932581 487588218 /nfs/dbraw/zinc/58/82/18/487588218.db2.gz XDRRRVJCIXSEFC-RYUDHWBXSA-N 2 1 225.336 -0.245 10 0 BBAEMP [NH3+]CCOCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000086932942 384720587 /nfs/dbraw/zinc/72/05/87/384720587.db2.gz NGRKYBXXKOZUKX-LLVKDONJSA-N 2 1 213.325 -0.258 10 0 BBAEMP [NH3+]CCOCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000086932943 384719854 /nfs/dbraw/zinc/71/98/54/384719854.db2.gz NGRKYBXXKOZUKX-NSHDSACASA-N 2 1 213.325 -0.258 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000088002537 343689701 /nfs/dbraw/zinc/68/97/01/343689701.db2.gz BOLQWKWMUUMXCN-SECBINFHSA-N 2 1 215.297 -0.876 10 0 BBAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])COC)C1 ZINC000088003139 136282538 /nfs/dbraw/zinc/28/25/38/136282538.db2.gz OJXFWWNNLLGOIY-NXEZZACHSA-N 2 1 229.324 -0.582 10 0 BBAEMP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])COC)C1 ZINC000088003140 136282554 /nfs/dbraw/zinc/28/25/54/136282554.db2.gz OJXFWWNNLLGOIY-VHSXEESVSA-N 2 1 229.324 -0.582 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088003919 136282857 /nfs/dbraw/zinc/28/28/57/136282857.db2.gz PZPUQVJKIURRQA-SCZZXKLOSA-N 2 1 227.308 -0.687 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088003920 536667083 /nfs/dbraw/zinc/66/70/83/536667083.db2.gz PZPUQVJKIURRQA-PSASIEDQSA-N 2 1 227.308 -0.687 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000088003921 136282719 /nfs/dbraw/zinc/28/27/19/136282719.db2.gz PZPUQVJKIURRQA-WPRPVWTQSA-N 2 1 227.308 -0.687 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000088003922 536670110 /nfs/dbraw/zinc/67/01/10/536670110.db2.gz PZPUQVJKIURRQA-WCBMZHEXSA-N 2 1 227.308 -0.687 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000088004225 136283264 /nfs/dbraw/zinc/28/32/64/136283264.db2.gz YTCNROSWRRGRIA-SECBINFHSA-N 2 1 215.297 -0.830 10 0 BBAEMP COC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CC1 ZINC000088004226 536861733 /nfs/dbraw/zinc/86/17/33/536861733.db2.gz 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/nfs/dbraw/zinc/94/96/32/359949632.db2.gz YTPXPGNSZJACQO-LLVKDONJSA-N 2 1 241.335 -0.425 10 0 BBAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088372072 487724051 /nfs/dbraw/zinc/72/40/51/487724051.db2.gz OTZFZTQUFJBBGI-MNOVXSKESA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088372072 487724047 /nfs/dbraw/zinc/72/40/47/487724047.db2.gz OTZFZTQUFJBBGI-MNOVXSKESA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088372073 487724268 /nfs/dbraw/zinc/72/42/68/487724268.db2.gz OTZFZTQUFJBBGI-QWRGUYRKSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000088372073 487724262 /nfs/dbraw/zinc/72/42/62/487724262.db2.gz OTZFZTQUFJBBGI-QWRGUYRKSA-N 2 1 241.335 -0.567 10 0 BBAEMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088372116 487724557 /nfs/dbraw/zinc/72/45/57/487724557.db2.gz RPEARLXYLOPNQY-MNOVXSKESA-N 2 1 243.351 -0.179 10 0 BBAEMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000088372117 517639955 /nfs/dbraw/zinc/63/99/55/517639955.db2.gz RPEARLXYLOPNQY-QWRGUYRKSA-N 2 1 243.351 -0.179 10 0 BBAEMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088372118 359949562 /nfs/dbraw/zinc/94/95/62/359949562.db2.gz RPEARLXYLOPNQY-GHMZBOCLSA-N 2 1 243.351 -0.179 10 0 BBAEMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000088372119 135520418 /nfs/dbraw/zinc/52/04/18/135520418.db2.gz RPEARLXYLOPNQY-WDEREUQCSA-N 2 1 243.351 -0.179 10 0 BBAEMP CCCN(CC[NH+](C)C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088372120 487723997 /nfs/dbraw/zinc/72/39/97/487723997.db2.gz UCSIMWYKIFDLEK-NSHDSACASA-N 2 1 243.351 -0.225 10 0 BBAEMP CCCN(CC[NH+](C)C)C(=O)[C@H]1COCC[NH2+]1 ZINC000088372121 368911318 /nfs/dbraw/zinc/91/13/18/368911318.db2.gz UCSIMWYKIFDLEK-LLVKDONJSA-N 2 1 243.351 -0.225 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548572 174276804 /nfs/dbraw/zinc/27/68/04/174276804.db2.gz JNVMHEJLMYHOOA-MNOVXSKESA-N 2 1 243.351 -0.192 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548574 174277348 /nfs/dbraw/zinc/27/73/48/174277348.db2.gz JNVMHEJLMYHOOA-QWRGUYRKSA-N 2 1 243.351 -0.192 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668421 631541887 /nfs/dbraw/zinc/54/18/87/631541887.db2.gz ICAICLPNQGIEKW-GMTAPVOTSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091668423 631543496 /nfs/dbraw/zinc/54/34/96/631543496.db2.gz ICAICLPNQGIEKW-MXWKQRLJSA-N 2 1 241.335 -0.426 10 0 BBAEMP CC[N@H+]1CCC[C@H](NC(=O)C[NH2+]CCOC)C1 ZINC000092509446 636043533 /nfs/dbraw/zinc/04/35/33/636043533.db2.gz KDRMNUBGUPQYQL-NSHDSACASA-N 2 1 243.351 -0.177 10 0 BBAEMP [NH3+]CCOCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000093231505 488145934 /nfs/dbraw/zinc/14/59/34/488145934.db2.gz BNEIZWODIZFPTJ-NSHDSACASA-N 2 1 241.335 -0.342 10 0 BBAEMP [NH3+]CCOCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000093231506 488145716 /nfs/dbraw/zinc/14/57/16/488145716.db2.gz BNEIZWODIZFPTJ-LLVKDONJSA-N 2 1 241.335 -0.342 10 0 BBAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COCC[NH3+] ZINC000093232430 488147121 /nfs/dbraw/zinc/14/71/21/488147121.db2.gz FIESAMYMEFRNLE-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)COCC[NH3+] ZINC000093232431 488147007 /nfs/dbraw/zinc/14/70/07/488147007.db2.gz FIESAMYMEFRNLE-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP [NH3+]CCOCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000093232481 188049966 /nfs/dbraw/zinc/04/99/66/188049966.db2.gz HGDVAPNJHDLBDT-GFCCVEGCSA-N 2 1 243.351 -0.632 10 0 BBAEMP [NH3+]CCOCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000093232482 181399369 /nfs/dbraw/zinc/39/93/69/181399369.db2.gz HGDVAPNJHDLBDT-LBPRGKRZSA-N 2 1 243.351 -0.632 10 0 BBAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COCC[NH3+] ZINC000094459963 487536865 /nfs/dbraw/zinc/53/68/65/487536865.db2.gz JLUVZHNDGOVKOH-GHMZBOCLSA-N 2 1 241.335 -0.343 10 0 BBAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COCC[NH3+] 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CC[NH2+][C@@H](CN1CC[N@@H+](CC)[C@H](C)C1)C(N)=O ZINC000104127304 170145158 /nfs/dbraw/zinc/14/51/58/170145158.db2.gz NLEAAZCDXBPNEA-MNOVXSKESA-N 2 1 242.367 -0.524 10 0 BBAEMP CC[NH2+][C@H](CN1CC[N@@H+](CC)[C@H](C)C1)C(N)=O ZINC000104127307 170162498 /nfs/dbraw/zinc/16/24/98/170162498.db2.gz NLEAAZCDXBPNEA-GHMZBOCLSA-N 2 1 242.367 -0.524 10 0 BBAEMP C[N@H+]1CCN(CC[C@](C)([NH3+])C(N)=O)CC1(C)C ZINC000104127330 173081511 /nfs/dbraw/zinc/08/15/11/173081511.db2.gz YJSDDYVNYFGQLP-LBPRGKRZSA-N 2 1 242.367 -0.395 10 0 BBAEMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1(C)C ZINC000104127491 173069138 /nfs/dbraw/zinc/06/91/38/173069138.db2.gz DNMFSPSFGATNBU-JTQLQIEISA-N 2 1 240.351 -0.900 10 0 BBAEMP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCN2)CC1(C)C ZINC000104127496 173071149 /nfs/dbraw/zinc/07/11/49/173071149.db2.gz DNMFSPSFGATNBU-SNVBAGLBSA-N 2 1 240.351 -0.900 10 0 BBAEMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000104129845 173070316 /nfs/dbraw/zinc/07/03/16/173070316.db2.gz ZQOUVPFEBOZFLX-JTQLQIEISA-N 2 1 241.335 -0.473 10 0 BBAEMP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000104129845 173070313 /nfs/dbraw/zinc/07/03/13/173070313.db2.gz ZQOUVPFEBOZFLX-JTQLQIEISA-N 2 1 241.335 -0.473 10 0 BBAEMP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000104129849 173071223 /nfs/dbraw/zinc/07/12/23/173071223.db2.gz ZQOUVPFEBOZFLX-SNVBAGLBSA-N 2 1 241.335 -0.473 10 0 BBAEMP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000104129849 173071220 /nfs/dbraw/zinc/07/12/20/173071220.db2.gz ZQOUVPFEBOZFLX-SNVBAGLBSA-N 2 1 241.335 -0.473 10 0 BBAEMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCOC)CC[N@H+]1C ZINC000104138667 171068927 /nfs/dbraw/zinc/06/89/27/171068927.db2.gz SJRJOGMVAOMRGN-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCOC)CC[N@@H+]1C ZINC000104138667 171068926 /nfs/dbraw/zinc/06/89/26/171068926.db2.gz SJRJOGMVAOMRGN-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@@H]1CN(CC[C@H]([NH3+])C(=O)OC)CC[N@H+]1C ZINC000104140174 171083703 /nfs/dbraw/zinc/08/37/03/171083703.db2.gz NLNIIXNJHXKZQP-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@@H]1CN(CC[C@H]([NH3+])C(=O)OC)CC[N@@H+]1C ZINC000104140174 171083701 /nfs/dbraw/zinc/08/37/01/171083701.db2.gz NLNIIXNJHXKZQP-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CCOC(=O)[C@H]([NH3+])CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000104143054 170274351 /nfs/dbraw/zinc/27/43/51/170274351.db2.gz ACJNMSUICJCFBD-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CCOC(=O)[C@H]([NH3+])CCN1CC[N@H+](C)[C@H](C)C1 ZINC000104143054 170274350 /nfs/dbraw/zinc/27/43/50/170274350.db2.gz ACJNMSUICJCFBD-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CCOC(=O)[C@@H]([NH3+])CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000104143059 170252143 /nfs/dbraw/zinc/25/21/43/170252143.db2.gz ACJNMSUICJCFBD-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CCOC(=O)[C@@H]([NH3+])CCN1CC[N@H+](C)[C@H](C)C1 ZINC000104143059 170252141 /nfs/dbraw/zinc/25/21/41/170252141.db2.gz ACJNMSUICJCFBD-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCN1C ZINC000104144246 171082096 /nfs/dbraw/zinc/08/20/96/171082096.db2.gz HAIOJBZTHIWKKF-CYBMUJFWSA-N 2 1 240.395 -0.082 10 0 BBAEMP CC[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1C ZINC000104144246 171082095 /nfs/dbraw/zinc/08/20/95/171082095.db2.gz HAIOJBZTHIWKKF-CYBMUJFWSA-N 2 1 240.395 -0.082 10 0 BBAEMP CC[C@@H]1CN(CCN2CC[NH2+]CC2)CC[N@H+]1C ZINC000104144246 171082093 /nfs/dbraw/zinc/08/20/93/171082093.db2.gz HAIOJBZTHIWKKF-CYBMUJFWSA-N 2 1 240.395 -0.082 10 0 BBAEMP CC[NH2+][C@](C)(CN1CC[N@@H+](C)[C@H](C)C1)C(N)=O ZINC000104144376 170170163 /nfs/dbraw/zinc/17/01/63/170170163.db2.gz FBOKDYGBWWOVQP-ZYHUDNBSSA-N 2 1 242.367 -0.524 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104227268 174277041 /nfs/dbraw/zinc/27/70/41/174277041.db2.gz SGSQLBSMVDXJFL-MNOVXSKESA-N 2 1 243.351 -0.464 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000104227272 174276959 /nfs/dbraw/zinc/27/69/59/174276959.db2.gz SGSQLBSMVDXJFL-QWRGUYRKSA-N 2 1 243.351 -0.464 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104227276 174278142 /nfs/dbraw/zinc/27/81/42/174278142.db2.gz SGSQLBSMVDXJFL-GHMZBOCLSA-N 2 1 243.351 -0.464 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000104227280 174277452 /nfs/dbraw/zinc/27/74/52/174277452.db2.gz SGSQLBSMVDXJFL-WDEREUQCSA-N 2 1 243.351 -0.464 10 0 BBAEMP Cc1nn(C)c(N2CC[NH+](C)CC2)c1C(N)=[NH2+] ZINC000104312524 180357293 /nfs/dbraw/zinc/35/72/93/180357293.db2.gz GGBKGYMZISUMBX-UHFFFAOYSA-N 2 1 236.323 -0.236 10 0 BBAEMP C[N@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000104388334 173151110 /nfs/dbraw/zinc/15/11/10/173151110.db2.gz RGCHHQDNEGSZEC-JTQLQIEISA-N 2 1 241.335 -0.425 10 0 BBAEMP C[N@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000104388337 173121288 /nfs/dbraw/zinc/12/12/88/173121288.db2.gz RGCHHQDNEGSZEC-SNVBAGLBSA-N 2 1 241.335 -0.425 10 0 BBAEMP C[C@H]1CCC[N@@H+](C[C@@H](O)CN2CC[NH2+]CC2)C1 ZINC000108015205 177099490 /nfs/dbraw/zinc/09/94/90/177099490.db2.gz UNESPBDLVCUJDC-STQMWFEESA-N 2 1 241.379 -0.016 10 0 BBAEMP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108355994 409651271 /nfs/dbraw/zinc/65/12/71/409651271.db2.gz WXNGXSPWYHSPIM-NXEZZACHSA-N 2 1 211.309 -0.194 10 0 BBAEMP C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000108355994 409651262 /nfs/dbraw/zinc/65/12/62/409651262.db2.gz WXNGXSPWYHSPIM-NXEZZACHSA-N 2 1 211.309 -0.194 10 0 BBAEMP CN1CC[N@H+](C2CC[NH2+]CC2)CCC1=O ZINC000108356386 368572070 /nfs/dbraw/zinc/57/20/70/368572070.db2.gz BZULPEBZSJTJQS-UHFFFAOYSA-N 2 1 211.309 -0.098 10 0 BBAEMP CN1CC[N@@H+](C2CC[NH2+]CC2)CCC1=O ZINC000108356386 368572069 /nfs/dbraw/zinc/57/20/69/368572069.db2.gz BZULPEBZSJTJQS-UHFFFAOYSA-N 2 1 211.309 -0.098 10 0 BBAEMP CN(CCC[NH3+])CCOCC[NH+](C)C ZINC000118880568 343060522 /nfs/dbraw/zinc/06/05/22/343060522.db2.gz DNRUQHYIUPKPOQ-UHFFFAOYSA-N 2 1 203.330 -0.155 10 0 BBAEMP C[NH+](C)CCOCC[N@@H+](C)CCC[NH3+] ZINC000118880568 343060521 /nfs/dbraw/zinc/06/05/21/343060521.db2.gz DNRUQHYIUPKPOQ-UHFFFAOYSA-N 3 1 203.330 -0.155 10 0 BBAEMP CC[N@H+]1CCO[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000123954105 589868882 /nfs/dbraw/zinc/86/88/82/589868882.db2.gz PLAUJJKKKRFTNH-SNVBAGLBSA-N 2 1 226.324 -0.017 10 0 BBAEMP CC[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000123954105 589868878 /nfs/dbraw/zinc/86/88/78/589868878.db2.gz PLAUJJKKKRFTNH-SNVBAGLBSA-N 2 1 226.324 -0.017 10 0 BBAEMP CC[N@H+]1CCO[C@H](CNC(=[NH2+])NC)C1 ZINC000123954393 589869406 /nfs/dbraw/zinc/86/94/06/589869406.db2.gz VZVDCXGEPPQCFV-MRVPVSSYSA-N 2 1 200.286 -0.549 10 0 BBAEMP CC[N@@H+]1CCO[C@H](CNC(=[NH2+])NC)C1 ZINC000123954393 589869403 /nfs/dbraw/zinc/86/94/03/589869403.db2.gz VZVDCXGEPPQCFV-MRVPVSSYSA-N 2 1 200.286 -0.549 10 0 BBAEMP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124189048 388660701 /nfs/dbraw/zinc/66/07/01/388660701.db2.gz RVGTWRUQZWRBPC-OLZOCXBDSA-N 2 1 240.395 -0.227 10 0 BBAEMP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124189048 388660698 /nfs/dbraw/zinc/66/06/98/388660698.db2.gz RVGTWRUQZWRBPC-OLZOCXBDSA-N 2 1 240.395 -0.227 10 0 BBAEMP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124189242 388661465 /nfs/dbraw/zinc/66/14/65/388661465.db2.gz RVGTWRUQZWRBPC-STQMWFEESA-N 2 1 240.395 -0.227 10 0 BBAEMP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]1N(C)C ZINC000124189242 388661462 /nfs/dbraw/zinc/66/14/62/388661462.db2.gz RVGTWRUQZWRBPC-STQMWFEESA-N 2 1 240.395 -0.227 10 0 BBAEMP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@@H]1N(C)C ZINC000124293550 176292613 /nfs/dbraw/zinc/29/26/13/176292613.db2.gz RVVZQWFPFOZOTK-MNOVXSKESA-N 2 1 215.341 -0.156 10 0 BBAEMP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H]1N(C)C ZINC000124293550 176292612 /nfs/dbraw/zinc/29/26/12/176292612.db2.gz RVVZQWFPFOZOTK-MNOVXSKESA-N 2 1 215.341 -0.156 10 0 BBAEMP C[C@H]1C[N@@H+](CCOCC[NH3+])C[C@@H]1N(C)C ZINC000124293790 177252343 /nfs/dbraw/zinc/25/23/43/177252343.db2.gz RVVZQWFPFOZOTK-QWRGUYRKSA-N 2 1 215.341 -0.156 10 0 BBAEMP C[C@H]1C[N@H+](CCOCC[NH3+])C[C@@H]1N(C)C ZINC000124293790 177252342 /nfs/dbraw/zinc/25/23/42/177252342.db2.gz RVVZQWFPFOZOTK-QWRGUYRKSA-N 2 1 215.341 -0.156 10 0 BBAEMP COCC[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000124353183 174294088 /nfs/dbraw/zinc/29/40/88/174294088.db2.gz HWBPSXUSGDVCHI-NSHDSACASA-N 2 1 216.325 -0.073 10 0 BBAEMP C[NH2+][C@@H](Cn1c[nH+]c2c1CCCC2)C(N)=O ZINC000127392315 590636876 /nfs/dbraw/zinc/63/68/76/590636876.db2.gz DQOCZPKGVRYVHM-VIFPVBQESA-N 2 1 222.292 -0.165 10 0 BBAEMP C[NH2+][C@H](Cn1c[nH+]c2c1CCCC2)C(N)=O ZINC000127392525 590636946 /nfs/dbraw/zinc/63/69/46/590636946.db2.gz DQOCZPKGVRYVHM-SECBINFHSA-N 2 1 222.292 -0.165 10 0 BBAEMP NC(=O)[C@@H]([NH3+])Cn1c[nH+]c2c1CCCC2 ZINC000127393651 344289941 /nfs/dbraw/zinc/28/99/41/344289941.db2.gz FDOAANXTKZSMRL-ZETCQYMHSA-N 2 1 208.265 -0.426 10 0 BBAEMP NC(=O)[C@H]([NH3+])Cn1c[nH+]c2c1CCCC2 ZINC000127393886 344289224 /nfs/dbraw/zinc/28/92/24/344289224.db2.gz FDOAANXTKZSMRL-SSDOTTSWSA-N 2 1 208.265 -0.426 10 0 BBAEMP C[C@@]([NH3+])(Cn1c[nH+]c2c1CCCC2)C(N)=O ZINC000127394633 590636978 /nfs/dbraw/zinc/63/69/78/590636978.db2.gz CFNKNMUIYWGBIZ-LLVKDONJSA-N 2 1 222.292 -0.035 10 0 BBAEMP C[C@]([NH3+])(Cn1c[nH+]c2c1CCCC2)C(N)=O ZINC000127394844 590635878 /nfs/dbraw/zinc/63/58/78/590635878.db2.gz CFNKNMUIYWGBIZ-NSHDSACASA-N 2 1 222.292 -0.035 10 0 BBAEMP NC(=O)[C@@H]([NH3+])CCn1c[nH+]c2c1CCCC2 ZINC000127395117 583408970 /nfs/dbraw/zinc/40/89/70/583408970.db2.gz PNGOICZHCVGEEG-QMMMGPOBSA-N 2 1 222.292 -0.035 10 0 BBAEMP NC(=O)[C@H]([NH3+])CCn1c[nH+]c2c1CCCC2 ZINC000127395359 590637954 /nfs/dbraw/zinc/63/79/54/590637954.db2.gz PNGOICZHCVGEEG-MRVPVSSYSA-N 2 1 222.292 -0.035 10 0 BBAEMP Cc1[nH+]c2c(n1C[C@H]([NH3+])C(N)=O)CCCC2 ZINC000127396083 590638462 /nfs/dbraw/zinc/63/84/62/590638462.db2.gz DETKJRXSILNXAE-QMMMGPOBSA-N 2 1 222.292 -0.117 10 0 BBAEMP Cc1[nH+]c2c(n1C[C@@H]([NH3+])C(N)=O)CCCC2 ZINC000127396326 590638328 /nfs/dbraw/zinc/63/83/28/590638328.db2.gz DETKJRXSILNXAE-MRVPVSSYSA-N 2 1 222.292 -0.117 10 0 BBAEMP C[C@@H]1CN(C[C@H](O)C[NH3+])C[C@H](C)[N@@H+]1C ZINC000127694081 344606967 /nfs/dbraw/zinc/60/69/67/344606967.db2.gz DBYGOHHMARXCFZ-KXUCPTDWSA-N 2 1 201.314 -0.670 10 0 BBAEMP CC[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000127723480 169982663 /nfs/dbraw/zinc/98/26/63/169982663.db2.gz IJWGOGLBKGGBPN-UHFFFAOYSA-N 2 1 241.335 -0.342 10 0 BBAEMP C[N@H+]1CCC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000127860015 409761595 /nfs/dbraw/zinc/76/15/95/409761595.db2.gz OOSWOPJBHRDCTK-JTQLQIEISA-N 2 1 241.335 -0.295 10 0 BBAEMP C[N@H+]1CCC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000127860249 409760387 /nfs/dbraw/zinc/76/03/87/409760387.db2.gz OOSWOPJBHRDCTK-SNVBAGLBSA-N 2 1 241.335 -0.295 10 0 BBAEMP CC(C)[N@@H+](C)CCNC(=O)C1([NH3+])CCOCC1 ZINC000127921797 188047982 /nfs/dbraw/zinc/04/79/82/188047982.db2.gz OFYCHOUKVUBRMH-UHFFFAOYSA-N 2 1 243.351 -0.049 10 0 BBAEMP C[N@@H+](CCNC(=O)C1([NH3+])CCOCC1)C1CC1 ZINC000127930903 385945855 /nfs/dbraw/zinc/94/58/55/385945855.db2.gz HKTLYPQBWOQRKO-UHFFFAOYSA-N 2 1 241.335 -0.295 10 0 BBAEMP C[C@@H]1CN(C[C@H]([NH3+])CO)C[C@H](C)[N@@H+]1C ZINC000127936595 344686726 /nfs/dbraw/zinc/68/67/26/344686726.db2.gz ISKZZYLOSZCBND-AEJSXWLSSA-N 2 1 201.314 -0.670 10 0 BBAEMP CCNC(=[NH2+])NC[C@@H]1C[N@@H+](CC)CCO1 ZINC000129530885 591321454 /nfs/dbraw/zinc/32/14/54/591321454.db2.gz LJFGMPDBWGAJMB-SECBINFHSA-N 2 1 214.313 -0.159 10 0 BBAEMP CCNC(=[NH2+])NC[C@@H]1C[N@H+](CC)CCO1 ZINC000129530885 591321451 /nfs/dbraw/zinc/32/14/51/591321451.db2.gz LJFGMPDBWGAJMB-SECBINFHSA-N 2 1 214.313 -0.159 10 0 BBAEMP CCNC(=[NH2+])NC[C@H]1C[N@@H+](CC)CCO1 ZINC000129531128 591321500 /nfs/dbraw/zinc/32/15/00/591321500.db2.gz LJFGMPDBWGAJMB-VIFPVBQESA-N 2 1 214.313 -0.159 10 0 BBAEMP CCNC(=[NH2+])NC[C@H]1C[N@H+](CC)CCO1 ZINC000129531128 591321498 /nfs/dbraw/zinc/32/14/98/591321498.db2.gz LJFGMPDBWGAJMB-VIFPVBQESA-N 2 1 214.313 -0.159 10 0 BBAEMP O=S1CC[NH+](CCC2C[NH2+]C2)CC1 ZINC000129589625 353698845 /nfs/dbraw/zinc/69/88/45/353698845.db2.gz CZVZCSFZNMGTBT-UHFFFAOYSA-N 2 1 202.323 -0.340 10 0 BBAEMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000131923298 487866835 /nfs/dbraw/zinc/86/68/35/487866835.db2.gz IIICVOOZPQAPOW-YIZRAAEISA-N 2 1 229.349 -0.108 10 0 BBAEMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000131923678 411691091 /nfs/dbraw/zinc/69/10/91/411691091.db2.gz IIICVOOZPQAPOW-CIUDSAMLSA-N 2 1 229.349 -0.108 10 0 BBAEMP [NH3+]C[C@@H](NC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000131940118 325192112 /nfs/dbraw/zinc/19/21/12/325192112.db2.gz UDNYMHWRIBIZKA-SFYZADRCSA-N 2 1 215.322 -0.498 10 0 BBAEMP [NH3+]C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)C1CC1 ZINC000131940341 323175376 /nfs/dbraw/zinc/17/53/76/323175376.db2.gz UDNYMHWRIBIZKA-YUMQZZPRSA-N 2 1 215.322 -0.498 10 0 BBAEMP [NH3+]C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000131940539 325192269 /nfs/dbraw/zinc/19/22/69/325192269.db2.gz UDNYMHWRIBIZKA-HTQZYQBOSA-N 2 1 215.322 -0.498 10 0 BBAEMP [NH3+]C[C@H](NC(=O)[C@H]1CSC[NH2+]1)C1CC1 ZINC000131940732 325192071 /nfs/dbraw/zinc/19/20/71/325192071.db2.gz UDNYMHWRIBIZKA-JGVFFNPUSA-N 2 1 215.322 -0.498 10 0 BBAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000132920515 412358564 /nfs/dbraw/zinc/35/85/64/412358564.db2.gz OAHABIYDARLQBP-MXWKQRLJSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[NH2+]2)CC[N@@H+]1C ZINC000132920515 412358560 /nfs/dbraw/zinc/35/85/60/412358560.db2.gz OAHABIYDARLQBP-MXWKQRLJSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)CC[N@H+]1C ZINC000132920954 176373537 /nfs/dbraw/zinc/37/35/37/176373537.db2.gz OAHABIYDARLQBP-VWYCJHECSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCCN2)CC[N@H+]1C ZINC000132920954 176373534 /nfs/dbraw/zinc/37/35/34/176373534.db2.gz OAHABIYDARLQBP-VWYCJHECSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@@H]1C[N@H+](C[C@@](C)(O)C[NH3+])C[C@H](C)O1 ZINC000133342034 372026116 /nfs/dbraw/zinc/02/61/16/372026116.db2.gz QSYDDBQDVYSYBL-AEJSXWLSSA-N 2 1 202.298 -0.195 10 0 BBAEMP C[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH3+])C[C@H](C)O1 ZINC000133342034 372026112 /nfs/dbraw/zinc/02/61/12/372026112.db2.gz QSYDDBQDVYSYBL-AEJSXWLSSA-N 2 1 202.298 -0.195 10 0 BBAEMP CN(C)c1nc(NC[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000134265667 386403258 /nfs/dbraw/zinc/40/32/58/386403258.db2.gz VKHWFGQEUVPARC-VIFPVBQESA-N 2 1 237.307 -0.057 10 0 BBAEMP CN(C)c1nc(NC[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000134265688 386402981 /nfs/dbraw/zinc/40/29/81/386402981.db2.gz VKHWFGQEUVPARC-SECBINFHSA-N 2 1 237.307 -0.057 10 0 BBAEMP CS[C@H]1C[NH2+]C[C@H]1N1CC[NH+](C)CC1 ZINC000134889708 342917073 /nfs/dbraw/zinc/91/70/73/342917073.db2.gz GNDUOJKNZFISSZ-ZJUUUORDSA-N 2 1 215.366 -0.063 10 0 BBAEMP CS[C@H]1C[NH2+]C[C@@H]1N1CC[NH+](C)CC1 ZINC000134889725 342917152 /nfs/dbraw/zinc/91/71/52/342917152.db2.gz GNDUOJKNZFISSZ-UWVGGRQHSA-N 2 1 215.366 -0.063 10 0 BBAEMP CS[C@@H]1C[NH2+]C[C@H]1N1CC[NH+](C)CC1 ZINC000134889749 342917280 /nfs/dbraw/zinc/91/72/80/342917280.db2.gz GNDUOJKNZFISSZ-NXEZZACHSA-N 2 1 215.366 -0.063 10 0 BBAEMP CS[C@@H]1C[NH2+]C[C@@H]1N1CC[NH+](C)CC1 ZINC000134889767 342917263 /nfs/dbraw/zinc/91/72/63/342917263.db2.gz GNDUOJKNZFISSZ-VHSXEESVSA-N 2 1 215.366 -0.063 10 0 BBAEMP CC(C)[C@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC000136311386 488094116 /nfs/dbraw/zinc/09/41/16/488094116.db2.gz FKVWKOFJVXWANO-LLVKDONJSA-N 2 1 243.351 -0.504 10 0 BBAEMP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC000136311430 488094083 /nfs/dbraw/zinc/09/40/83/488094083.db2.gz FKVWKOFJVXWANO-NSHDSACASA-N 2 1 243.351 -0.504 10 0 BBAEMP C1CC[NH2+]CCNCCNCC[NH2+]CC1 ZINC000139797421 188145719 /nfs/dbraw/zinc/14/57/19/188145719.db2.gz OIFMESATLHOYDX-UHFFFAOYSA-N 2 1 214.357 -0.471 10 0 BBAEMP C[N@@H+](C[C@]1(O)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000157128273 384127565 /nfs/dbraw/zinc/12/75/65/384127565.db2.gz UJHXTLROYRLMPZ-ZJUUUORDSA-N 2 1 200.282 -0.569 10 0 BBAEMP C[N@H+](C[C@]1(O)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000157128273 384127559 /nfs/dbraw/zinc/12/75/59/384127559.db2.gz UJHXTLROYRLMPZ-ZJUUUORDSA-N 2 1 200.282 -0.569 10 0 BBAEMP C[N@@H+](C[C@@]1(O)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000157128432 385081725 /nfs/dbraw/zinc/08/17/25/385081725.db2.gz UJHXTLROYRLMPZ-NXEZZACHSA-N 2 1 200.282 -0.569 10 0 BBAEMP C[N@H+](C[C@@]1(O)CC[NH2+]C1)[C@@H]1CCOC1 ZINC000157128432 385081719 /nfs/dbraw/zinc/08/17/19/385081719.db2.gz UJHXTLROYRLMPZ-NXEZZACHSA-N 2 1 200.282 -0.569 10 0 BBAEMP CO[C@]1(C[N@H+]2CC[C@H]([NH3+])C2)CCOC1 ZINC000159229391 349852070 /nfs/dbraw/zinc/85/20/70/349852070.db2.gz ASANFBBKSANLGN-UWVGGRQHSA-N 2 1 200.282 -0.175 10 0 BBAEMP CO[C@]1(C[N@@H+]2CC[C@H]([NH3+])C2)CCOC1 ZINC000159229391 349852069 /nfs/dbraw/zinc/85/20/69/349852069.db2.gz ASANFBBKSANLGN-UWVGGRQHSA-N 2 1 200.282 -0.175 10 0 BBAEMP CO[C@@]1(C[N@H+]2CC[C@H]([NH3+])C2)CCOC1 ZINC000159229525 349852162 /nfs/dbraw/zinc/85/21/62/349852162.db2.gz ASANFBBKSANLGN-VHSXEESVSA-N 2 1 200.282 -0.175 10 0 BBAEMP CO[C@@]1(C[N@@H+]2CC[C@H]([NH3+])C2)CCOC1 ZINC000159229525 349852161 /nfs/dbraw/zinc/85/21/61/349852161.db2.gz ASANFBBKSANLGN-VHSXEESVSA-N 2 1 200.282 -0.175 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000159668346 345462013 /nfs/dbraw/zinc/46/20/13/345462013.db2.gz NBWQOBAMILVHNX-GARJFASQSA-N 2 1 241.335 -0.297 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000159813962 323049235 /nfs/dbraw/zinc/04/92/35/323049235.db2.gz PXDIOGWMWDKMRB-GHMZBOCLSA-N 2 1 243.351 -0.193 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000159814117 323049188 /nfs/dbraw/zinc/04/91/88/323049188.db2.gz PXDIOGWMWDKMRB-WDEREUQCSA-N 2 1 243.351 -0.193 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000159922756 345660576 /nfs/dbraw/zinc/66/05/76/345660576.db2.gz QQHYOMYIFJBBOL-LLVKDONJSA-N 2 1 243.351 -0.049 10 0 BBAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])COC ZINC000160008957 353252505 /nfs/dbraw/zinc/25/25/05/353252505.db2.gz GWGPQGBEEQCPAT-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])COC ZINC000160009094 353252197 /nfs/dbraw/zinc/25/21/97/353252197.db2.gz GWGPQGBEEQCPAT-WDEREUQCSA-N 2 1 243.351 -0.097 10 0 BBAEMP C[C@H]([NH3+])CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000163731448 384324290 /nfs/dbraw/zinc/32/42/90/384324290.db2.gz OYURMBNWGMNWRW-WDEREUQCSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[C@@H]([NH3+])CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000163731670 384352771 /nfs/dbraw/zinc/35/27/71/384352771.db2.gz OYURMBNWGMNWRW-GHMZBOCLSA-N 2 1 213.325 -0.260 10 0 BBAEMP C[N@@H+](CCC[NH3+])CC1(O)CCOCC1 ZINC000167146321 384260422 /nfs/dbraw/zinc/26/04/22/384260422.db2.gz TYBJNKTWQYFAGX-UHFFFAOYSA-N 2 1 202.298 -0.192 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000167976771 134155527 /nfs/dbraw/zinc/15/55/27/134155527.db2.gz DGXZKXHSFXCHKN-NXEZZACHSA-N 2 1 241.335 -0.609 10 0 BBAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000167976771 134155526 /nfs/dbraw/zinc/15/55/26/134155526.db2.gz DGXZKXHSFXCHKN-NXEZZACHSA-N 2 1 241.335 -0.609 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000167976881 134155229 /nfs/dbraw/zinc/15/52/29/134155229.db2.gz DGXZKXHSFXCHKN-VHSXEESVSA-N 2 1 241.335 -0.609 10 0 BBAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000167976881 134155228 /nfs/dbraw/zinc/15/52/28/134155228.db2.gz DGXZKXHSFXCHKN-VHSXEESVSA-N 2 1 241.335 -0.609 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000167977949 134155287 /nfs/dbraw/zinc/15/52/87/134155287.db2.gz ABIWRGAHQHGOBO-NXEZZACHSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000167977949 134155286 /nfs/dbraw/zinc/15/52/86/134155286.db2.gz ABIWRGAHQHGOBO-NXEZZACHSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000167978050 134155498 /nfs/dbraw/zinc/15/54/98/134155498.db2.gz ABIWRGAHQHGOBO-VHSXEESVSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000167978050 134155497 /nfs/dbraw/zinc/15/54/97/134155497.db2.gz ABIWRGAHQHGOBO-VHSXEESVSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167984213 134155534 /nfs/dbraw/zinc/15/55/34/134155534.db2.gz JZNMIVMVYNUFRJ-NXEZZACHSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167984213 134155533 /nfs/dbraw/zinc/15/55/33/134155533.db2.gz JZNMIVMVYNUFRJ-NXEZZACHSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167984330 134155306 /nfs/dbraw/zinc/15/53/06/134155306.db2.gz JZNMIVMVYNUFRJ-VHSXEESVSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167984330 134155305 /nfs/dbraw/zinc/15/53/05/134155305.db2.gz JZNMIVMVYNUFRJ-VHSXEESVSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167984697 134155332 /nfs/dbraw/zinc/15/53/32/134155332.db2.gz WPAWSKXKDLLDRA-OPRDCNLKSA-N 2 1 229.324 -0.753 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167984697 134155331 /nfs/dbraw/zinc/15/53/31/134155331.db2.gz WPAWSKXKDLLDRA-OPRDCNLKSA-N 2 1 229.324 -0.753 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167984802 134155318 /nfs/dbraw/zinc/15/53/18/134155318.db2.gz WPAWSKXKDLLDRA-IVZWLZJFSA-N 2 1 229.324 -0.753 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167984802 134155317 /nfs/dbraw/zinc/15/53/17/134155317.db2.gz WPAWSKXKDLLDRA-IVZWLZJFSA-N 2 1 229.324 -0.753 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167985155 536139861 /nfs/dbraw/zinc/13/98/61/536139861.db2.gz KRQHJQAUYOAOKZ-MXWKQRLJSA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000167985155 536139854 /nfs/dbraw/zinc/13/98/54/536139854.db2.gz KRQHJQAUYOAOKZ-MXWKQRLJSA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167989446 536140967 /nfs/dbraw/zinc/14/09/67/536140967.db2.gz KRQHJQAUYOAOKZ-AXFHLTTASA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000167989446 536140962 /nfs/dbraw/zinc/14/09/62/536140962.db2.gz KRQHJQAUYOAOKZ-AXFHLTTASA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000167993357 134155516 /nfs/dbraw/zinc/15/55/16/134155516.db2.gz CZNTYILKQOMHQI-NXEZZACHSA-N 2 1 229.324 -0.751 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000167993461 134155388 /nfs/dbraw/zinc/15/53/88/134155388.db2.gz CZNTYILKQOMHQI-VHSXEESVSA-N 2 1 229.324 -0.751 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000167993589 134155479 /nfs/dbraw/zinc/15/54/79/134155479.db2.gz JVCMXFFOCDNSHK-GHMZBOCLSA-N 2 1 243.351 -0.361 10 0 BBAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000167993692 134155309 /nfs/dbraw/zinc/15/53/09/134155309.db2.gz JVCMXFFOCDNSHK-WDEREUQCSA-N 2 1 243.351 -0.361 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH2+]C)CC[N@H+]1C[C@@H](C)O ZINC000168003762 385344709 /nfs/dbraw/zinc/34/47/09/385344709.db2.gz GSBBXAQWCAVNHW-GHMZBOCLSA-N 2 1 243.351 -0.491 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH2+]C)CC[N@H+]1C[C@@H](C)O ZINC000168003874 536110488 /nfs/dbraw/zinc/11/04/88/536110488.db2.gz GSBBXAQWCAVNHW-MNOVXSKESA-N 2 1 243.351 -0.491 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168009365 134155220 /nfs/dbraw/zinc/15/52/20/134155220.db2.gz MYCLFURBYVHBCT-NXEZZACHSA-N 2 1 229.324 -0.751 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168009461 536108606 /nfs/dbraw/zinc/10/86/06/536108606.db2.gz MYCLFURBYVHBCT-ZJUUUORDSA-N 2 1 229.324 -0.751 10 0 BBAEMP CC[C@@H]1CN(C(=O)CC[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168013034 134155249 /nfs/dbraw/zinc/15/52/49/134155249.db2.gz IKRGQTIOXAYJMS-GHMZBOCLSA-N 2 1 243.351 -0.361 10 0 BBAEMP CC[C@H]1CN(C(=O)CC[NH3+])CC[N@H+]1C[C@@H](C)O ZINC000168013154 134155139 /nfs/dbraw/zinc/15/51/39/134155139.db2.gz IKRGQTIOXAYJMS-MNOVXSKESA-N 2 1 243.351 -0.361 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000168015587 134155203 /nfs/dbraw/zinc/15/52/03/134155203.db2.gz VKBMQWHFSLIZIX-SNVBAGLBSA-N 2 1 241.335 -0.343 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000168015587 134155202 /nfs/dbraw/zinc/15/52/02/134155202.db2.gz VKBMQWHFSLIZIX-SNVBAGLBSA-N 2 1 241.335 -0.343 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000168015684 134155502 /nfs/dbraw/zinc/15/55/02/134155502.db2.gz VKBMQWHFSLIZIX-JTQLQIEISA-N 2 1 241.335 -0.343 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000168015684 134155501 /nfs/dbraw/zinc/15/55/01/134155501.db2.gz VKBMQWHFSLIZIX-JTQLQIEISA-N 2 1 241.335 -0.343 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000168017404 134155275 /nfs/dbraw/zinc/15/52/75/134155275.db2.gz HRFDVWCWMZAYLT-SNVBAGLBSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000168017404 134155274 /nfs/dbraw/zinc/15/52/74/134155274.db2.gz HRFDVWCWMZAYLT-SNVBAGLBSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000168017523 134155401 /nfs/dbraw/zinc/15/54/01/134155401.db2.gz HRFDVWCWMZAYLT-JTQLQIEISA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000168017523 134155400 /nfs/dbraw/zinc/15/54/00/134155400.db2.gz HRFDVWCWMZAYLT-JTQLQIEISA-N 2 1 243.351 -0.097 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000168023323 134155542 /nfs/dbraw/zinc/15/55/42/134155542.db2.gz KTOSUJLWMFAECG-SNVBAGLBSA-N 2 1 229.324 -0.615 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000168023323 134155541 /nfs/dbraw/zinc/15/55/41/134155541.db2.gz KTOSUJLWMFAECG-SNVBAGLBSA-N 2 1 229.324 -0.615 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000168023423 134155177 /nfs/dbraw/zinc/15/51/77/134155177.db2.gz KTOSUJLWMFAECG-JTQLQIEISA-N 2 1 229.324 -0.615 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000168023423 134155176 /nfs/dbraw/zinc/15/51/76/134155176.db2.gz KTOSUJLWMFAECG-JTQLQIEISA-N 2 1 229.324 -0.615 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000168023765 134155152 /nfs/dbraw/zinc/15/51/52/134155152.db2.gz QQKPKHOGGCKUNA-NXEZZACHSA-N 2 1 229.324 -0.487 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@H]1C ZINC000168023765 134155151 /nfs/dbraw/zinc/15/51/51/134155151.db2.gz QQKPKHOGGCKUNA-NXEZZACHSA-N 2 1 229.324 -0.487 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000168023860 134155185 /nfs/dbraw/zinc/15/51/85/134155185.db2.gz QQKPKHOGGCKUNA-VHSXEESVSA-N 2 1 229.324 -0.487 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH3+])C[C@@H]1C ZINC000168023860 134155184 /nfs/dbraw/zinc/15/51/84/134155184.db2.gz QQKPKHOGGCKUNA-VHSXEESVSA-N 2 1 229.324 -0.487 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000168024203 536140105 /nfs/dbraw/zinc/14/01/05/536140105.db2.gz RUJXSMGVLNEECL-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000168024203 536140100 /nfs/dbraw/zinc/14/01/00/536140100.db2.gz RUJXSMGVLNEECL-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000168028555 536140426 /nfs/dbraw/zinc/14/04/26/536140426.db2.gz RUJXSMGVLNEECL-QWRGUYRKSA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000168028555 536140421 /nfs/dbraw/zinc/14/04/21/536140421.db2.gz RUJXSMGVLNEECL-QWRGUYRKSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C[NH3+])C[C@H]1C ZINC000168028693 134155787 /nfs/dbraw/zinc/15/57/87/134155787.db2.gz MHFVCQCAKKHJPH-SECBINFHSA-N 2 1 215.297 -0.876 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C[NH3+])C[C@H]1C ZINC000168028693 134155786 /nfs/dbraw/zinc/15/57/86/134155786.db2.gz MHFVCQCAKKHJPH-SECBINFHSA-N 2 1 215.297 -0.876 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C[NH3+])C[C@@H]1C ZINC000168028787 134155625 /nfs/dbraw/zinc/15/56/25/134155625.db2.gz MHFVCQCAKKHJPH-VIFPVBQESA-N 2 1 215.297 -0.876 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C[NH3+])C[C@@H]1C ZINC000168028787 134155624 /nfs/dbraw/zinc/15/56/24/134155624.db2.gz MHFVCQCAKKHJPH-VIFPVBQESA-N 2 1 215.297 -0.876 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000168032273 134155877 /nfs/dbraw/zinc/15/58/77/134155877.db2.gz LYZWUZLIPZOJII-SNVBAGLBSA-N 2 1 229.324 -0.486 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000168032273 134155876 /nfs/dbraw/zinc/15/58/76/134155876.db2.gz LYZWUZLIPZOJII-SNVBAGLBSA-N 2 1 229.324 -0.486 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000168032375 134155819 /nfs/dbraw/zinc/15/58/19/134155819.db2.gz LYZWUZLIPZOJII-JTQLQIEISA-N 2 1 229.324 -0.486 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000168032375 134155818 /nfs/dbraw/zinc/15/58/18/134155818.db2.gz LYZWUZLIPZOJII-JTQLQIEISA-N 2 1 229.324 -0.486 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000168032482 134155669 /nfs/dbraw/zinc/15/56/69/134155669.db2.gz IFGTUAQHJFAAGS-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000168032482 134155668 /nfs/dbraw/zinc/15/56/68/134155668.db2.gz IFGTUAQHJFAAGS-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000168032574 134155913 /nfs/dbraw/zinc/15/59/13/134155913.db2.gz IFGTUAQHJFAAGS-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000168032574 134155912 /nfs/dbraw/zinc/15/59/12/134155912.db2.gz IFGTUAQHJFAAGS-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH2+]C)CC[N@H+]1CCOC ZINC000168061204 134155704 /nfs/dbraw/zinc/15/57/04/134155704.db2.gz AUTPHXMJLCJHHB-LLVKDONJSA-N 2 1 243.351 -0.225 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH2+]C)CC[N@@H+]1CCOC ZINC000168061204 134155703 /nfs/dbraw/zinc/15/57/03/134155703.db2.gz AUTPHXMJLCJHHB-LLVKDONJSA-N 2 1 243.351 -0.225 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH2+]C)CC[N@H+]1CCOC ZINC000168061313 536110611 /nfs/dbraw/zinc/11/06/11/536110611.db2.gz AUTPHXMJLCJHHB-NSHDSACASA-N 2 1 243.351 -0.225 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH2+]C)CC[N@@H+]1CCOC ZINC000168061313 536110605 /nfs/dbraw/zinc/11/06/05/536110605.db2.gz AUTPHXMJLCJHHB-NSHDSACASA-N 2 1 243.351 -0.225 10 0 BBAEMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000168061658 134155607 /nfs/dbraw/zinc/15/56/07/134155607.db2.gz RGVWYHRHUUUMCH-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000168061658 134155606 /nfs/dbraw/zinc/15/56/06/134155606.db2.gz RGVWYHRHUUUMCH-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@H+]1CCOC ZINC000168061755 536125498 /nfs/dbraw/zinc/12/54/98/536125498.db2.gz RGVWYHRHUUUMCH-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@H]1CN(C(=O)[C@@H](C)[NH3+])CC[N@@H+]1CCOC ZINC000168061755 536125497 /nfs/dbraw/zinc/12/54/97/536125497.db2.gz RGVWYHRHUUUMCH-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH3+])CC[N@H+]1CCOC ZINC000168066699 134155640 /nfs/dbraw/zinc/15/56/40/134155640.db2.gz JZSLYHUMQRTYJX-SNVBAGLBSA-N 2 1 229.324 -0.486 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH3+])CC[N@@H+]1CCOC ZINC000168066699 134155639 /nfs/dbraw/zinc/15/56/39/134155639.db2.gz JZSLYHUMQRTYJX-SNVBAGLBSA-N 2 1 229.324 -0.486 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH3+])CC[N@H+]1CCOC ZINC000168066804 536108472 /nfs/dbraw/zinc/10/84/72/536108472.db2.gz JZSLYHUMQRTYJX-JTQLQIEISA-N 2 1 229.324 -0.486 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH3+])CC[N@@H+]1CCOC ZINC000168066804 536108467 /nfs/dbraw/zinc/10/84/67/536108467.db2.gz JZSLYHUMQRTYJX-JTQLQIEISA-N 2 1 229.324 -0.486 10 0 BBAEMP CC[C@@H]1CN(C(=O)CC[NH3+])CC[N@H+]1CCOC ZINC000168070345 134155793 /nfs/dbraw/zinc/15/57/93/134155793.db2.gz JHTGPIHECSURPG-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP CC[C@H]1CN(C(=O)CC[NH3+])CC[N@H+]1CCOC ZINC000168070447 134155810 /nfs/dbraw/zinc/15/58/10/134155810.db2.gz JHTGPIHECSURPG-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP CCOCC[N@H+]1CCN(C(=O)C[NH3+])C[C@H]1CC ZINC000168086110 134156045 /nfs/dbraw/zinc/15/60/45/134156045.db2.gz OYLLBDVBEAMVFG-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP CCOCC[N@@H+]1CCN(C(=O)C[NH3+])C[C@H]1CC ZINC000168086110 134156044 /nfs/dbraw/zinc/15/60/44/134156044.db2.gz OYLLBDVBEAMVFG-LLVKDONJSA-N 2 1 243.351 -0.096 10 0 BBAEMP CCOCC[N@H+]1CCN(C(=O)C[NH3+])C[C@@H]1CC ZINC000168086212 134156316 /nfs/dbraw/zinc/15/63/16/134156316.db2.gz OYLLBDVBEAMVFG-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP CCOCC[N@@H+]1CCN(C(=O)C[NH3+])C[C@@H]1CC ZINC000168086212 134156315 /nfs/dbraw/zinc/15/63/15/134156315.db2.gz OYLLBDVBEAMVFG-NSHDSACASA-N 2 1 243.351 -0.096 10 0 BBAEMP C[NH+](C)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171192294 385473447 /nfs/dbraw/zinc/47/34/47/385473447.db2.gz NUVNSSBJFXPNIG-SNVBAGLBSA-N 2 1 211.309 -0.145 10 0 BBAEMP C[NH+](C)CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171192294 385473442 /nfs/dbraw/zinc/47/34/42/385473442.db2.gz NUVNSSBJFXPNIG-SNVBAGLBSA-N 2 1 211.309 -0.145 10 0 BBAEMP C[NH+](C)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171192301 134255815 /nfs/dbraw/zinc/25/58/15/134255815.db2.gz NUVNSSBJFXPNIG-JTQLQIEISA-N 2 1 211.309 -0.145 10 0 BBAEMP C[NH+](C)CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171192301 134255814 /nfs/dbraw/zinc/25/58/14/134255814.db2.gz NUVNSSBJFXPNIG-JTQLQIEISA-N 2 1 211.309 -0.145 10 0 BBAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000174584062 229387267 /nfs/dbraw/zinc/38/72/67/229387267.db2.gz ZKMMTGKGTTWFBJ-QWRGUYRKSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000174584062 229387264 /nfs/dbraw/zinc/38/72/64/229387264.db2.gz ZKMMTGKGTTWFBJ-QWRGUYRKSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000174584075 229387176 /nfs/dbraw/zinc/38/71/76/229387176.db2.gz ZKMMTGKGTTWFBJ-WDEREUQCSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000174584075 229387175 /nfs/dbraw/zinc/38/71/75/229387175.db2.gz ZKMMTGKGTTWFBJ-WDEREUQCSA-N 2 1 241.335 -0.521 10 0 BBAEMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000178784372 635700791 /nfs/dbraw/zinc/70/07/91/635700791.db2.gz ZRXPAKZEUVFCKX-PWSUYJOCSA-N 2 1 241.310 -0.005 10 0 BBAEMP O=C(N1CC[N@H+]2CCC[C@H]2C1)[C@]1(F)CC[NH2+]C1 ZINC000178784384 635701437 /nfs/dbraw/zinc/70/14/37/635701437.db2.gz ZRXPAKZEUVFCKX-JQWIXIFHSA-N 2 1 241.310 -0.005 10 0 BBAEMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H](C(N)=O)O1 ZINC000178977396 134314163 /nfs/dbraw/zinc/31/41/63/134314163.db2.gz IFASOPSBAVNGKY-MWLCHTKSSA-N 2 1 241.335 -0.439 10 0 BBAEMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@@H](C(N)=O)O1 ZINC000178977403 134314034 /nfs/dbraw/zinc/31/40/34/134314034.db2.gz IFASOPSBAVNGKY-KOLCDFICSA-N 2 1 241.335 -0.439 10 0 BBAEMP C[N@H+]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188801844 357586961 /nfs/dbraw/zinc/58/69/61/357586961.db2.gz GJBZOOKQBLHLGZ-VHSXEESVSA-N 2 1 229.299 -0.150 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000190207123 356435746 /nfs/dbraw/zinc/43/57/46/356435746.db2.gz ZPERKIJCJIUBGO-ZCFIWIBFSA-N 2 1 207.224 -0.694 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000190207139 356436309 /nfs/dbraw/zinc/43/63/09/356436309.db2.gz ZPERKIJCJIUBGO-LURJTMIESA-N 2 1 207.224 -0.694 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000190325362 181357485 /nfs/dbraw/zinc/35/74/85/181357485.db2.gz MRRPYAZZTFDUKD-ZETCQYMHSA-N 2 1 221.251 -0.304 10 0 BBAEMP C(COC1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000205120516 711797811 /nfs/dbraw/zinc/79/78/11/711797811.db2.gz GURGSHPHFQXERM-UHFFFAOYSA-N 2 1 200.282 -0.303 10 0 BBAEMP CN1CCC[NH2+]CCNCC[NH2+]CCC1 ZINC000207606464 173018952 /nfs/dbraw/zinc/01/89/52/173018952.db2.gz GLIBQDUDOWVLDQ-UHFFFAOYSA-N 2 1 214.357 -0.519 10 0 BBAEMP C[N@H+]1CCO[C@H](COC2(C)C[NH2+]C2)C1 ZINC000214732501 344660074 /nfs/dbraw/zinc/66/00/74/344660074.db2.gz WWUQQQXNKGBEGI-VIFPVBQESA-N 2 1 200.282 -0.305 10 0 BBAEMP C[N@@H+]1CCO[C@H](COC2(C)C[NH2+]C2)C1 ZINC000214732501 344660072 /nfs/dbraw/zinc/66/00/72/344660072.db2.gz WWUQQQXNKGBEGI-VIFPVBQESA-N 2 1 200.282 -0.305 10 0 BBAEMP C[N@H+]1CCO[C@@H](COC2(C)C[NH2+]C2)C1 ZINC000214732551 344660030 /nfs/dbraw/zinc/66/00/30/344660030.db2.gz WWUQQQXNKGBEGI-SECBINFHSA-N 2 1 200.282 -0.305 10 0 BBAEMP C[N@@H+]1CCO[C@@H](COC2(C)C[NH2+]C2)C1 ZINC000214732551 344660028 /nfs/dbraw/zinc/66/00/28/344660028.db2.gz WWUQQQXNKGBEGI-SECBINFHSA-N 2 1 200.282 -0.305 10 0 BBAEMP C[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CC[NH2+]CC2)C1 ZINC000216108713 524231329 /nfs/dbraw/zinc/23/13/29/524231329.db2.gz UNESPBDLVCUJDC-OLZOCXBDSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[N@H+]1CCN(C[C@@H](O)C[NH3+])CC1(C)C ZINC000216508768 349508051 /nfs/dbraw/zinc/50/80/51/349508051.db2.gz JBHMUIDEKAKRKM-VIFPVBQESA-N 2 1 201.314 -0.668 10 0 BBAEMP CO[C@H]1C[NH2+][C@@H](C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000217774095 411231034 /nfs/dbraw/zinc/23/10/34/411231034.db2.gz BHFFDEHZZMESLJ-GHMZBOCLSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[N@H+]1CC[C@@](O)([C@@]2(C[NH3+])CCOC2)C1 ZINC000218738423 353146511 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ZINC000227813044 174277247 /nfs/dbraw/zinc/27/72/47/174277247.db2.gz JNVMHEJLMYHOOA-WDEREUQCSA-N 2 1 243.351 -0.192 10 0 BBAEMP C[C@@H]1CN(C[C@@H]([NH3+])CO)C[C@H](C)[N@@H+]1C ZINC000228861146 372084377 /nfs/dbraw/zinc/08/43/77/372084377.db2.gz ISKZZYLOSZCBND-KXUCPTDWSA-N 2 1 201.314 -0.670 10 0 BBAEMP C[NH+]1CCN(c2cc3c(nn2)CC[NH2+]C3)CC1 ZINC000229011861 523923662 /nfs/dbraw/zinc/92/36/62/523923662.db2.gz PHTAUWCPUOZAJW-UHFFFAOYSA-N 2 1 233.319 -0.126 10 0 BBAEMP CO[C@@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CCOC1 ZINC000229139847 372122171 /nfs/dbraw/zinc/12/21/71/372122171.db2.gz ASANFBBKSANLGN-NXEZZACHSA-N 2 1 200.282 -0.175 10 0 BBAEMP CO[C@@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCOC1 ZINC000229139847 372122169 /nfs/dbraw/zinc/12/21/69/372122169.db2.gz ASANFBBKSANLGN-NXEZZACHSA-N 2 1 200.282 -0.175 10 0 BBAEMP CO[C@]1(C[N@H+]2CC[C@@H]([NH3+])C2)CCOC1 ZINC000229139856 372122624 /nfs/dbraw/zinc/12/26/24/372122624.db2.gz ASANFBBKSANLGN-ZJUUUORDSA-N 2 1 200.282 -0.175 10 0 BBAEMP CO[C@]1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCOC1 ZINC000229139856 372122622 /nfs/dbraw/zinc/12/26/22/372122622.db2.gz ASANFBBKSANLGN-ZJUUUORDSA-N 2 1 200.282 -0.175 10 0 BBAEMP C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229217786 173031385 /nfs/dbraw/zinc/03/13/85/173031385.db2.gz MUMRHKUIKUPBTH-SNVBAGLBSA-N 2 1 241.335 -0.295 10 0 BBAEMP C[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CCOCC1 ZINC000229217798 173052714 /nfs/dbraw/zinc/05/27/14/173052714.db2.gz MUMRHKUIKUPBTH-JTQLQIEISA-N 2 1 241.335 -0.295 10 0 BBAEMP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000229217925 176266154 /nfs/dbraw/zinc/26/61/54/176266154.db2.gz MVBMTEJSQHACGT-SNVBAGLBSA-N 2 1 241.335 -0.343 10 0 BBAEMP C[C@@H]1C[N@H+](C)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000229217925 176266152 /nfs/dbraw/zinc/26/61/52/176266152.db2.gz MVBMTEJSQHACGT-SNVBAGLBSA-N 2 1 241.335 -0.343 10 0 BBAEMP C[C@H]1C[N@@H+](C)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000229217942 177232869 /nfs/dbraw/zinc/23/28/69/177232869.db2.gz MVBMTEJSQHACGT-JTQLQIEISA-N 2 1 241.335 -0.343 10 0 BBAEMP C[C@H]1C[N@H+](C)CCN1C(=O)C1([NH3+])CCOCC1 ZINC000229217942 177232868 /nfs/dbraw/zinc/23/28/68/177232868.db2.gz MVBMTEJSQHACGT-JTQLQIEISA-N 2 1 241.335 -0.343 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NCC[NH+]1CCSCC1 ZINC000230936778 358412978 /nfs/dbraw/zinc/41/29/78/358412978.db2.gz AGDSTEKETIDAPW-SECBINFHSA-N 2 1 231.365 -0.241 10 0 BBAEMP [NH3+][C@@H]1CCOC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000231325027 353593584 /nfs/dbraw/zinc/59/35/84/353593584.db2.gz AAQQSDPQYWRSOM-IVZWLZJFSA-N 2 1 200.282 -0.583 10 0 BBAEMP [NH3+][C@@H]1CCOC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000231325032 359776799 /nfs/dbraw/zinc/77/67/99/359776799.db2.gz AAQQSDPQYWRSOM-OPRDCNLKSA-N 2 1 200.282 -0.583 10 0 BBAEMP C[N@@H+](CCC(=O)NC(N)=O)[C@@H]1CCC[NH2+]CC1 ZINC000231669964 353641989 /nfs/dbraw/zinc/64/19/89/353641989.db2.gz RUZYJFGWFLYBCR-SECBINFHSA-N 2 1 242.323 -0.355 10 0 BBAEMP C[N@@H+](CCC(=O)NC(N)=O)[C@H]1CCC[NH2+]CC1 ZINC000231669968 353642564 /nfs/dbraw/zinc/64/25/64/353642564.db2.gz RUZYJFGWFLYBCR-VIFPVBQESA-N 2 1 242.323 -0.355 10 0 BBAEMP C[N@@H+](CCOCCO)C[C@@H]1CCC[NH2+]C1 ZINC000234298396 388355496 /nfs/dbraw/zinc/35/54/96/388355496.db2.gz IVRIAQDHJWOTSL-LLVKDONJSA-N 2 1 216.325 -0.073 10 0 BBAEMP C[N@@H+](CCOCCO)C[C@H]1CCC[NH2+]C1 ZINC000234298467 388354993 /nfs/dbraw/zinc/35/49/93/388354993.db2.gz IVRIAQDHJWOTSL-NSHDSACASA-N 2 1 216.325 -0.073 10 0 BBAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000235291912 343000925 /nfs/dbraw/zinc/00/09/25/343000925.db2.gz ZXGCNKGDOWWNBQ-GMTAPVOTSA-N 2 1 225.336 -0.090 10 0 BBAEMP [NH3+]C[C@@H]1CCC[C@@H]1[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000236170510 346203864 /nfs/dbraw/zinc/20/38/64/346203864.db2.gz CIWJTLSNVULSDH-AATLWQCWSA-N 2 1 200.282 -0.849 10 0 BBAEMP [NH3+]C[C@@H]1CCC[C@H]1[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000236212018 344319692 /nfs/dbraw/zinc/31/96/92/344319692.db2.gz CIWJTLSNVULSDH-QCLAVDOMSA-N 2 1 200.282 -0.849 10 0 BBAEMP [NH3+][C@@H]1CCC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000236303708 346225424 /nfs/dbraw/zinc/22/54/24/346225424.db2.gz DMCSBDPNAMEFNU-KYXWUPHJSA-N 2 1 200.282 -0.706 10 0 BBAEMP [NH3+][C@@H]1CCC[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1 ZINC000236310453 346223932 /nfs/dbraw/zinc/22/39/32/346223932.db2.gz DMCSBDPNAMEFNU-RGOKHQFPSA-N 2 1 200.282 -0.706 10 0 BBAEMP O[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1O ZINC000236584122 183242617 /nfs/dbraw/zinc/24/26/17/183242617.db2.gz HYVWFUOQLRJQJQ-AOOOYVTPSA-N 2 1 200.282 -0.977 10 0 BBAEMP O[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000236590267 183243232 /nfs/dbraw/zinc/24/32/32/183243232.db2.gz DDRZHLKYEDBBAY-BBBLOLIVSA-N 2 1 200.282 -0.977 10 0 BBAEMP O[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1O ZINC000236590947 183243736 /nfs/dbraw/zinc/24/37/36/183243736.db2.gz DDRZHLKYEDBBAY-LPEHRKFASA-N 2 1 200.282 -0.977 10 0 BBAEMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)C1CC1 ZINC000237143328 488103321 /nfs/dbraw/zinc/10/33/21/488103321.db2.gz OZENAVXWHGUKRW-QWRGUYRKSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)C1CC1 ZINC000237148736 383941057 /nfs/dbraw/zinc/94/10/57/383941057.db2.gz OZENAVXWHGUKRW-MNOVXSKESA-N 2 1 241.335 -0.569 10 0 BBAEMP C[NH+](C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)C1CC1 ZINC000237196176 488116972 /nfs/dbraw/zinc/11/69/72/488116972.db2.gz OZENAVXWHGUKRW-WDEREUQCSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)C1CC1 ZINC000237200817 384013741 /nfs/dbraw/zinc/01/37/41/384013741.db2.gz OZENAVXWHGUKRW-GHMZBOCLSA-N 2 1 241.335 -0.569 10 0 BBAEMP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000237830007 487519397 /nfs/dbraw/zinc/51/93/97/487519397.db2.gz IIICVOOZPQAPOW-IWSPIJDZSA-N 2 1 229.349 -0.108 10 0 BBAEMP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000237903095 642760528 /nfs/dbraw/zinc/76/05/28/642760528.db2.gz GCODELWWFNMWPG-YUMQZZPRSA-N 2 1 215.322 -0.401 10 0 BBAEMP [NH3+][C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000237903152 642758814 /nfs/dbraw/zinc/75/88/14/642758814.db2.gz GCODELWWFNMWPG-JGVFFNPUSA-N 2 1 215.322 -0.401 10 0 BBAEMP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000238000546 487547665 /nfs/dbraw/zinc/54/76/65/487547665.db2.gz IIICVOOZPQAPOW-XHNCKOQMSA-N 2 1 229.349 -0.108 10 0 BBAEMP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000238038808 487557052 /nfs/dbraw/zinc/55/70/52/487557052.db2.gz IIICVOOZPQAPOW-DJLDLDEBSA-N 2 1 229.349 -0.108 10 0 BBAEMP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000238075484 487560031 /nfs/dbraw/zinc/56/00/31/487560031.db2.gz IIICVOOZPQAPOW-HRDYMLBCSA-N 2 1 229.349 -0.108 10 0 BBAEMP C[NH+]1CCC(C[NH3+])(S(C)(=O)=O)CC1 ZINC000238854760 386537720 /nfs/dbraw/zinc/53/77/20/386537720.db2.gz PFHOQTJEXOUHRE-UHFFFAOYSA-N 2 1 206.311 -0.546 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245472716 388582534 /nfs/dbraw/zinc/58/25/34/388582534.db2.gz ZKMMTGKGTTWFBJ-GHMZBOCLSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245472716 388582533 /nfs/dbraw/zinc/58/25/33/388582533.db2.gz ZKMMTGKGTTWFBJ-GHMZBOCLSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000245472717 388581999 /nfs/dbraw/zinc/58/19/99/388581999.db2.gz ZKMMTGKGTTWFBJ-MNOVXSKESA-N 2 1 241.335 -0.521 10 0 BBAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000245472717 388581996 /nfs/dbraw/zinc/58/19/96/388581996.db2.gz ZKMMTGKGTTWFBJ-MNOVXSKESA-N 2 1 241.335 -0.521 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH3+])C[C@@H]1C ZINC000246189215 385120740 /nfs/dbraw/zinc/12/07/40/385120740.db2.gz CZNTYILKQOMHQI-UWVGGRQHSA-N 2 1 229.324 -0.751 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CC[NH3+])C[C@H]1C ZINC000246189389 385120785 /nfs/dbraw/zinc/12/07/85/385120785.db2.gz CZNTYILKQOMHQI-ZJUUUORDSA-N 2 1 229.324 -0.751 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000246220638 385124017 /nfs/dbraw/zinc/12/40/17/385124017.db2.gz GSBBXAQWCAVNHW-QWRGUYRKSA-N 2 1 243.351 -0.491 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH2+]C)CC[N@H+]1C[C@H](C)O ZINC000246220648 171063352 /nfs/dbraw/zinc/06/33/52/171063352.db2.gz GSBBXAQWCAVNHW-WDEREUQCSA-N 2 1 243.351 -0.491 10 0 BBAEMP CC[C@H]1CN(C(=O)CC[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246238240 385134087 /nfs/dbraw/zinc/13/40/87/385134087.db2.gz IKRGQTIOXAYJMS-QWRGUYRKSA-N 2 1 243.351 -0.361 10 0 BBAEMP CC[C@@H]1CN(C(=O)CC[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246238247 171064164 /nfs/dbraw/zinc/06/41/64/171064164.db2.gz IKRGQTIOXAYJMS-WDEREUQCSA-N 2 1 243.351 -0.361 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCC[NH3+])C[C@H]1C ZINC000246250821 644575591 /nfs/dbraw/zinc/57/55/91/644575591.db2.gz JVCMXFFOCDNSHK-MNOVXSKESA-N 2 1 243.351 -0.361 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)CCC[NH3+])C[C@@H]1C ZINC000246250829 644576367 /nfs/dbraw/zinc/57/63/67/644576367.db2.gz JVCMXFFOCDNSHK-QWRGUYRKSA-N 2 1 243.351 -0.361 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246252601 173326556 /nfs/dbraw/zinc/32/65/56/173326556.db2.gz JZNMIVMVYNUFRJ-UWVGGRQHSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246252601 173326555 /nfs/dbraw/zinc/32/65/55/173326555.db2.gz JZNMIVMVYNUFRJ-UWVGGRQHSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246252612 173326790 /nfs/dbraw/zinc/32/67/90/173326790.db2.gz JZNMIVMVYNUFRJ-ZJUUUORDSA-N 2 1 229.324 -0.881 10 0 BBAEMP C[NH2+]CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246252612 173326788 /nfs/dbraw/zinc/32/67/88/173326788.db2.gz JZNMIVMVYNUFRJ-ZJUUUORDSA-N 2 1 229.324 -0.881 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246258606 385144477 /nfs/dbraw/zinc/14/44/77/385144477.db2.gz KRQHJQAUYOAOKZ-DCAQKATOSA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246258606 385144473 /nfs/dbraw/zinc/14/44/73/385144473.db2.gz KRQHJQAUYOAOKZ-DCAQKATOSA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246258613 385143269 /nfs/dbraw/zinc/14/32/69/385143269.db2.gz KRQHJQAUYOAOKZ-VWYCJHECSA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246258613 385143261 /nfs/dbraw/zinc/14/32/61/385143261.db2.gz KRQHJQAUYOAOKZ-VWYCJHECSA-N 2 1 243.351 -0.363 10 0 BBAEMP CC[C@H]1CN(C(=O)C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246286351 385145150 /nfs/dbraw/zinc/14/51/50/385145150.db2.gz MYCLFURBYVHBCT-UWVGGRQHSA-N 2 1 229.324 -0.751 10 0 BBAEMP CC[C@@H]1CN(C(=O)C[NH3+])CC[N@H+]1C[C@H](C)O ZINC000246286361 171063629 /nfs/dbraw/zinc/06/36/29/171063629.db2.gz MYCLFURBYVHBCT-VHSXEESVSA-N 2 1 229.324 -0.751 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246706796 386673347 /nfs/dbraw/zinc/67/33/47/386673347.db2.gz WPAWSKXKDLLDRA-KXUCPTDWSA-N 2 1 229.324 -0.753 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246706796 386673338 /nfs/dbraw/zinc/67/33/38/386673338.db2.gz WPAWSKXKDLLDRA-KXUCPTDWSA-N 2 1 229.324 -0.753 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246706811 398340444 /nfs/dbraw/zinc/34/04/44/398340444.db2.gz WPAWSKXKDLLDRA-LPEHRKFASA-N 2 1 229.324 -0.753 10 0 BBAEMP C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246706811 398340443 /nfs/dbraw/zinc/34/04/43/398340443.db2.gz WPAWSKXKDLLDRA-LPEHRKFASA-N 2 1 229.324 -0.753 10 0 BBAEMP O=C(N1CC[N@H+]2CCC[C@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000246748687 644603995 /nfs/dbraw/zinc/60/39/95/644603995.db2.gz ZRXPAKZEUVFCKX-CMPLNLGQSA-N 2 1 241.310 -0.005 10 0 BBAEMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(F)CC[NH2+]C1 ZINC000246750050 644604358 /nfs/dbraw/zinc/60/43/58/644604358.db2.gz ZRXPAKZEUVFCKX-ZYHUDNBSSA-N 2 1 241.310 -0.005 10 0 BBAEMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246785352 349106574 /nfs/dbraw/zinc/10/65/74/349106574.db2.gz OTZFZTQUFJBBGI-GHMZBOCLSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246785352 349106569 /nfs/dbraw/zinc/10/65/69/349106569.db2.gz OTZFZTQUFJBBGI-GHMZBOCLSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246785375 349106634 /nfs/dbraw/zinc/10/66/34/349106634.db2.gz OTZFZTQUFJBBGI-WDEREUQCSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000246785375 349106633 /nfs/dbraw/zinc/10/66/33/349106633.db2.gz OTZFZTQUFJBBGI-WDEREUQCSA-N 2 1 241.335 -0.567 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000249997644 174276796 /nfs/dbraw/zinc/27/67/96/174276796.db2.gz QIQCIAJOXWWCLS-GHMZBOCLSA-N 2 1 243.351 -0.192 10 0 BBAEMP COCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000249997650 174277205 /nfs/dbraw/zinc/27/72/05/174277205.db2.gz QIQCIAJOXWWCLS-WDEREUQCSA-N 2 1 243.351 -0.192 10 0 BBAEMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000250351773 349169367 /nfs/dbraw/zinc/16/93/67/349169367.db2.gz 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/nfs/dbraw/zinc/15/95/73/135159573.db2.gz FLDIUTUGXFFFJV-LURJTMIESA-N 2 1 209.240 -0.176 10 0 BBAEMP CCC[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000261531159 135159668 /nfs/dbraw/zinc/15/96/68/135159668.db2.gz FLDIUTUGXFFFJV-ZCFIWIBFSA-N 2 1 209.240 -0.176 10 0 BBAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCN1 ZINC000261534977 135168868 /nfs/dbraw/zinc/16/88/68/135168868.db2.gz VACLBIHHXFZLPJ-VHSXEESVSA-N 2 1 227.308 -0.815 10 0 BBAEMP CC[C@@H]1CN(CC[NH3+])CC[N@H+]1CCOC ZINC000261535931 135170341 /nfs/dbraw/zinc/17/03/41/135170341.db2.gz PSQMHWRCNFXSHL-LLVKDONJSA-N 2 1 215.341 -0.012 10 0 BBAEMP CC[C@H]1CN(CC[NH3+])CC[N@H+]1CCOC ZINC000261535932 135170609 /nfs/dbraw/zinc/17/06/09/135170609.db2.gz PSQMHWRCNFXSHL-NSHDSACASA-N 2 1 215.341 -0.012 10 0 BBAEMP NC(=O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261538074 135175409 /nfs/dbraw/zinc/17/54/09/135175409.db2.gz XJKGYSUHSRCISD-UWVGGRQHSA-N 2 1 211.309 -0.207 10 0 BBAEMP NC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261538075 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C[C@@H]1CN(CC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261538679 135176041 /nfs/dbraw/zinc/17/60/41/135176041.db2.gz YXHPBIWDQXJSTR-GHMZBOCLSA-N 2 1 213.325 -0.402 10 0 BBAEMP C[C@@H]1CN(CC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261538680 135176468 /nfs/dbraw/zinc/17/64/68/135176468.db2.gz YXHPBIWDQXJSTR-MNOVXSKESA-N 2 1 213.325 -0.402 10 0 BBAEMP C[C@H]1CN(CC[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261538681 135176292 /nfs/dbraw/zinc/17/62/92/135176292.db2.gz YXHPBIWDQXJSTR-QWRGUYRKSA-N 2 1 213.325 -0.402 10 0 BBAEMP C[C@H]1CN(CC[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261538682 135176429 /nfs/dbraw/zinc/17/64/29/135176429.db2.gz YXHPBIWDQXJSTR-WDEREUQCSA-N 2 1 213.325 -0.402 10 0 BBAEMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261540522 135179448 /nfs/dbraw/zinc/17/94/48/135179448.db2.gz FAPHPDVQPFMBMU-DJLDLDEBSA-N 2 1 229.349 -0.094 10 0 BBAEMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000261540523 135179394 /nfs/dbraw/zinc/17/93/94/135179394.db2.gz FAPHPDVQPFMBMU-HRDYMLBCSA-N 2 1 229.349 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C[C@@]1(C[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000261542544 135182985 /nfs/dbraw/zinc/18/29/85/135182985.db2.gz GWZPCYIAIOSXCB-MWLCHTKSSA-N 2 1 211.309 -0.064 10 0 BBAEMP C[C@]1(C[N@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000261542548 135182964 /nfs/dbraw/zinc/18/29/64/135182964.db2.gz GWZPCYIAIOSXCB-ONGXEEELSA-N 2 1 211.309 -0.064 10 0 BBAEMP C[C@]1(C[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000261542548 135182963 /nfs/dbraw/zinc/18/29/63/135182963.db2.gz GWZPCYIAIOSXCB-ONGXEEELSA-N 2 1 211.309 -0.064 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccnc1 ZINC000261546882 135239608 /nfs/dbraw/zinc/23/96/08/135239608.db2.gz LLJCWEMIHLWNQD-GHMZBOCLSA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccnc1 ZINC000261546883 135239167 /nfs/dbraw/zinc/23/91/67/135239167.db2.gz LLJCWEMIHLWNQD-MNOVXSKESA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000261546884 135239702 /nfs/dbraw/zinc/23/97/02/135239702.db2.gz LLJCWEMIHLWNQD-QWRGUYRKSA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccnc1 ZINC000261546885 135239077 /nfs/dbraw/zinc/23/90/77/135239077.db2.gz LLJCWEMIHLWNQD-WDEREUQCSA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccncc1 ZINC000261549245 135188765 /nfs/dbraw/zinc/18/87/65/135188765.db2.gz OKQLSBMQBIOFLN-GHMZBOCLSA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccncc1 ZINC000261549246 135188608 /nfs/dbraw/zinc/18/86/08/135188608.db2.gz OKQLSBMQBIOFLN-MNOVXSKESA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000261549248 135188351 /nfs/dbraw/zinc/18/83/51/135188351.db2.gz OKQLSBMQBIOFLN-QWRGUYRKSA-N 2 1 207.277 -0.249 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccncc1 ZINC000261549250 135188717 /nfs/dbraw/zinc/18/87/17/135188717.db2.gz OKQLSBMQBIOFLN-WDEREUQCSA-N 2 1 207.277 -0.249 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCN3CCOCC3)C[C@H]12 ZINC000261556108 135195837 /nfs/dbraw/zinc/19/58/37/135195837.db2.gz QHLAHKQSICNWCK-FRRDWIJNSA-N 2 1 239.363 -0.012 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCN3CCOCC3)C[C@@H]12 ZINC000261556109 135195989 /nfs/dbraw/zinc/19/59/89/135195989.db2.gz QHLAHKQSICNWCK-JHJVBQTASA-N 2 1 239.363 -0.012 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCN3CCOCC3)C[C@H]12 ZINC000261556110 135196068 /nfs/dbraw/zinc/19/60/68/135196068.db2.gz QHLAHKQSICNWCK-RWMBFGLXSA-N 2 1 239.363 -0.012 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCN3CCOCC3)C[C@@H]12 ZINC000261556111 135196395 /nfs/dbraw/zinc/19/63/95/135196395.db2.gz QHLAHKQSICNWCK-YNEHKIRRSA-N 2 1 239.363 -0.012 10 0 BBAEMP CC1(C)C[N@@H+](CCC(=O)NC(N)=O)CC[C@H]1[NH3+] ZINC000261558871 135199642 /nfs/dbraw/zinc/19/96/42/135199642.db2.gz SVFBTCXKBYGIMN-MRVPVSSYSA-N 2 1 242.323 -0.369 10 0 BBAEMP CC1(C)C[N@@H+](CCC(=O)NC(N)=O)CC[C@@H]1[NH3+] ZINC000261558872 135199390 /nfs/dbraw/zinc/19/93/90/135199390.db2.gz SVFBTCXKBYGIMN-QMMMGPOBSA-N 2 1 242.323 -0.369 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560452 135201140 /nfs/dbraw/zinc/20/11/40/135201140.db2.gz UQDPTADXBHZIFR-BZNPZCIMSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560452 135201139 /nfs/dbraw/zinc/20/11/39/135201139.db2.gz UQDPTADXBHZIFR-BZNPZCIMSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560453 135201500 /nfs/dbraw/zinc/20/15/00/135201500.db2.gz UQDPTADXBHZIFR-RYPBNFRJSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560453 135201498 /nfs/dbraw/zinc/20/14/98/135201498.db2.gz UQDPTADXBHZIFR-RYPBNFRJSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261560454 135201307 /nfs/dbraw/zinc/20/13/07/135201307.db2.gz UQDPTADXBHZIFR-XAVMHZPKSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261560454 135201305 /nfs/dbraw/zinc/20/13/05/135201305.db2.gz UQDPTADXBHZIFR-XAVMHZPKSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560455 135200831 /nfs/dbraw/zinc/20/08/31/135200831.db2.gz UQDPTADXBHZIFR-XGEHTFHBSA-N 2 1 240.307 -0.761 10 0 BBAEMP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560455 135200829 /nfs/dbraw/zinc/20/08/29/135200829.db2.gz UQDPTADXBHZIFR-XGEHTFHBSA-N 2 1 240.307 -0.761 10 0 BBAEMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560843 135201599 /nfs/dbraw/zinc/20/15/99/135201599.db2.gz UYSLWXBMPSGRSZ-CIUDSAMLSA-N 2 1 240.307 -0.760 10 0 BBAEMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560844 135201931 /nfs/dbraw/zinc/20/19/31/135201931.db2.gz UYSLWXBMPSGRSZ-DJLDLDEBSA-N 2 1 240.307 -0.760 10 0 BBAEMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560845 135202039 /nfs/dbraw/zinc/20/20/39/135202039.db2.gz UYSLWXBMPSGRSZ-XHNCKOQMSA-N 2 1 240.307 -0.760 10 0 BBAEMP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261561046 135201618 /nfs/dbraw/zinc/20/16/18/135201618.db2.gz UYSLWXBMPSGRSZ-YIZRAAEISA-N 2 1 240.307 -0.760 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]12 ZINC000261565216 135206869 /nfs/dbraw/zinc/20/68/69/135206869.db2.gz CYHUIOFLAASPFN-DVVUODLYSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]12 ZINC000261565216 135206868 /nfs/dbraw/zinc/20/68/68/135206868.db2.gz CYHUIOFLAASPFN-DVVUODLYSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]12 ZINC000261565217 135206769 /nfs/dbraw/zinc/20/67/69/135206769.db2.gz CYHUIOFLAASPFN-FBIMIBRVSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]12 ZINC000261565217 135206767 /nfs/dbraw/zinc/20/67/67/135206767.db2.gz CYHUIOFLAASPFN-FBIMIBRVSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]12 ZINC000261565218 135207156 /nfs/dbraw/zinc/20/71/56/135207156.db2.gz CYHUIOFLAASPFN-INTQDDNPSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]12 ZINC000261565218 135207154 /nfs/dbraw/zinc/20/71/54/135207154.db2.gz CYHUIOFLAASPFN-INTQDDNPSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]12 ZINC000261565219 135207280 /nfs/dbraw/zinc/20/72/80/135207280.db2.gz CYHUIOFLAASPFN-JMJZKYOTSA-N 2 1 223.320 -0.066 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]12 ZINC000261565219 135207279 /nfs/dbraw/zinc/20/72/79/135207279.db2.gz CYHUIOFLAASPFN-JMJZKYOTSA-N 2 1 223.320 -0.066 10 0 BBAEMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261565457 536323309 /nfs/dbraw/zinc/32/33/09/536323309.db2.gz YKUFGTZINACLEG-CIUDSAMLSA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261565457 536323305 /nfs/dbraw/zinc/32/33/05/536323305.db2.gz YKUFGTZINACLEG-CIUDSAMLSA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261565458 536323448 /nfs/dbraw/zinc/32/34/48/536323448.db2.gz YKUFGTZINACLEG-DJLDLDEBSA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261565458 536323447 /nfs/dbraw/zinc/32/34/47/536323447.db2.gz YKUFGTZINACLEG-DJLDLDEBSA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261565459 536323526 /nfs/dbraw/zinc/32/35/26/536323526.db2.gz YKUFGTZINACLEG-XHNCKOQMSA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261565459 536323523 /nfs/dbraw/zinc/32/35/23/536323523.db2.gz YKUFGTZINACLEG-XHNCKOQMSA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261565460 536323172 /nfs/dbraw/zinc/32/31/72/536323172.db2.gz YKUFGTZINACLEG-YIZRAAEISA-N 2 1 240.307 -0.889 10 0 BBAEMP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261565460 536323171 /nfs/dbraw/zinc/32/31/71/536323171.db2.gz YKUFGTZINACLEG-YIZRAAEISA-N 2 1 240.307 -0.889 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]12 ZINC000261568444 135209958 /nfs/dbraw/zinc/20/99/58/135209958.db2.gz FPSXDAZTSLTZKK-GARJFASQSA-N 2 1 221.308 -0.053 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]12 ZINC000261568445 135210140 /nfs/dbraw/zinc/21/01/40/135210140.db2.gz FPSXDAZTSLTZKK-GMTAPVOTSA-N 2 1 221.308 -0.053 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@@H]12 ZINC000261568446 135210737 /nfs/dbraw/zinc/21/07/37/135210737.db2.gz FPSXDAZTSLTZKK-HBNTYKKESA-N 2 1 221.308 -0.053 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]12 ZINC000261568447 135210807 /nfs/dbraw/zinc/21/08/07/135210807.db2.gz FPSXDAZTSLTZKK-OUAUKWLOSA-N 2 1 221.308 -0.053 10 0 BBAEMP C[C@@H](O)C[NH+]1CCC(CN(C)CC[NH3+])CC1 ZINC000261581369 135222777 /nfs/dbraw/zinc/22/27/77/135222777.db2.gz NNDJQDFPBXCPOT-LLVKDONJSA-N 2 1 229.368 -0.030 10 0 BBAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN)CC1 ZINC000261581369 135222775 /nfs/dbraw/zinc/22/27/75/135222775.db2.gz NNDJQDFPBXCPOT-LLVKDONJSA-N 2 1 229.368 -0.030 10 0 BBAEMP C[C@H](O)C[NH+]1CCC(CN(C)CC[NH3+])CC1 ZINC000261581370 135221979 /nfs/dbraw/zinc/22/19/79/135221979.db2.gz NNDJQDFPBXCPOT-NSHDSACASA-N 2 1 229.368 -0.030 10 0 BBAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN)CC1 ZINC000261581370 135221977 /nfs/dbraw/zinc/22/19/77/135221977.db2.gz NNDJQDFPBXCPOT-NSHDSACASA-N 2 1 229.368 -0.030 10 0 BBAEMP NC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000261827961 135256136 /nfs/dbraw/zinc/25/61/36/135256136.db2.gz AFCTVVLLFPOVKV-NEPJUHHUSA-N 2 1 249.314 -0.545 10 0 BBAEMP NC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000261827963 135255905 /nfs/dbraw/zinc/25/59/05/135255905.db2.gz AFCTVVLLFPOVKV-NWDGAFQWSA-N 2 1 249.314 -0.545 10 0 BBAEMP NC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000261827965 135255880 /nfs/dbraw/zinc/25/58/80/135255880.db2.gz AFCTVVLLFPOVKV-RYUDHWBXSA-N 2 1 249.314 -0.545 10 0 BBAEMP NC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000261827967 135256089 /nfs/dbraw/zinc/25/60/89/135256089.db2.gz AFCTVVLLFPOVKV-VXGBXAGGSA-N 2 1 249.314 -0.545 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261841473 135257079 /nfs/dbraw/zinc/25/70/79/135257079.db2.gz AKBJTUIYDWDICC-BBBLOLIVSA-N 2 1 227.308 -0.769 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000261841478 135257270 /nfs/dbraw/zinc/25/72/70/135257270.db2.gz AKBJTUIYDWDICC-UTLUCORTSA-N 2 1 227.308 -0.769 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000261863979 135258344 /nfs/dbraw/zinc/25/83/44/135258344.db2.gz CJPLYXBDMNSGED-ZJUUUORDSA-N 2 1 227.308 -0.815 10 0 BBAEMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261874489 536373317 /nfs/dbraw/zinc/37/33/17/536373317.db2.gz DLRWQBGUHRMINZ-BBBLOLIVSA-N 2 1 227.308 -0.816 10 0 BBAEMP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000261874491 135259002 /nfs/dbraw/zinc/25/90/02/135259002.db2.gz DLRWQBGUHRMINZ-UTLUCORTSA-N 2 1 227.308 -0.816 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261879909 135258797 /nfs/dbraw/zinc/25/87/97/135258797.db2.gz FEWWRARFKHMSQG-ZJUUUORDSA-N 2 1 243.351 -0.193 10 0 BBAEMP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261881454 535475973 /nfs/dbraw/zinc/47/59/73/535475973.db2.gz FLBJRHSTHIJHKJ-BDAKNGLRSA-N 2 1 215.297 -0.911 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000261889424 536865900 /nfs/dbraw/zinc/86/59/00/536865900.db2.gz SXYFTLBHECVVBK-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@H]1C ZINC000261889424 536865894 /nfs/dbraw/zinc/86/58/94/536865894.db2.gz SXYFTLBHECVVBK-GHMZBOCLSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000261889426 536865765 /nfs/dbraw/zinc/86/57/65/536865765.db2.gz SXYFTLBHECVVBK-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C[C@@H](C)[NH3+])C[C@@H]1C ZINC000261889426 536865762 /nfs/dbraw/zinc/86/57/62/536865762.db2.gz SXYFTLBHECVVBK-MNOVXSKESA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000261889428 536865378 /nfs/dbraw/zinc/86/53/78/536865378.db2.gz SXYFTLBHECVVBK-QWRGUYRKSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@@H]1C ZINC000261889428 536865372 /nfs/dbraw/zinc/86/53/72/536865372.db2.gz SXYFTLBHECVVBK-QWRGUYRKSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000261889431 536865610 /nfs/dbraw/zinc/86/56/10/536865610.db2.gz SXYFTLBHECVVBK-WDEREUQCSA-N 2 1 243.351 -0.097 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)C[C@H](C)[NH3+])C[C@H]1C ZINC000261889431 536865606 /nfs/dbraw/zinc/86/56/06/536865606.db2.gz SXYFTLBHECVVBK-WDEREUQCSA-N 2 1 243.351 -0.097 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261903407 135261705 /nfs/dbraw/zinc/26/17/05/135261705.db2.gz HZRAPHKBKMWLAZ-MXWKQRLJSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261903410 135261808 /nfs/dbraw/zinc/26/18/08/135261808.db2.gz HZRAPHKBKMWLAZ-VWYCJHECSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000261908844 135261729 /nfs/dbraw/zinc/26/17/29/135261729.db2.gz IQQBTQQRAABNHN-KOLCDFICSA-N 2 1 241.335 -0.439 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000261911272 135262523 /nfs/dbraw/zinc/26/25/23/135262523.db2.gz JBJNGXUKTXWNNM-BBBLOLIVSA-N 2 1 227.308 -0.769 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261911275 135262705 /nfs/dbraw/zinc/26/27/05/135262705.db2.gz JBJNGXUKTXWNNM-UTLUCORTSA-N 2 1 227.308 -0.769 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000261918346 135262652 /nfs/dbraw/zinc/26/26/52/135262652.db2.gz JYKBVTFAYNNNLL-MXWKQRLJSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261918348 135262530 /nfs/dbraw/zinc/26/25/30/135262530.db2.gz JYKBVTFAYNNNLL-VWYCJHECSA-N 2 1 241.335 -0.521 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000261922157 135263849 /nfs/dbraw/zinc/26/38/49/135263849.db2.gz KOOOLHITOGGGBS-AEJSXWLSSA-N 2 1 227.308 -0.816 10 0 BBAEMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[NH2+]1 ZINC000261922159 135263815 /nfs/dbraw/zinc/26/38/15/135263815.db2.gz KOOOLHITOGGGBS-BBBLOLIVSA-N 2 1 227.308 -0.816 10 0 BBAEMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[C@H]1[NH3+] ZINC000261923511 135263375 /nfs/dbraw/zinc/26/33/75/135263375.db2.gz KSNPCBSMWWCJNC-DBIOUOCHSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261923512 135263819 /nfs/dbraw/zinc/26/38/19/135263819.db2.gz KSNPCBSMWWCJNC-VLEAKVRGSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261923513 135263893 /nfs/dbraw/zinc/26/38/93/135263893.db2.gz KSNPCBSMWWCJNC-ZDCRXTMVSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[C@@H]1[NH3+] ZINC000261923515 135263750 /nfs/dbraw/zinc/26/37/50/135263750.db2.gz KSNPCBSMWWCJNC-ZNSHCXBVSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000261927091 135263154 /nfs/dbraw/zinc/26/31/54/135263154.db2.gz LGNIQTZTUZZWCF-SFYZADRCSA-N 2 1 215.297 -0.783 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000261936121 135264668 /nfs/dbraw/zinc/26/46/68/135264668.db2.gz MGRKTJFVSIAGCI-MXWKQRLJSA-N 2 1 241.335 -0.439 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000261936122 135264590 /nfs/dbraw/zinc/26/45/90/135264590.db2.gz MGRKTJFVSIAGCI-VWYCJHECSA-N 2 1 241.335 -0.439 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261942337 135265171 /nfs/dbraw/zinc/26/51/71/135265171.db2.gz NAWMXSHGEZTMBY-JEZHCXPESA-N 2 1 227.308 -0.783 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261942338 135264920 /nfs/dbraw/zinc/26/49/20/135264920.db2.gz NAWMXSHGEZTMBY-QNSHHTMESA-N 2 1 227.308 -0.783 10 0 BBAEMP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCO ZINC000261942988 135264968 /nfs/dbraw/zinc/26/49/68/135264968.db2.gz MZRVXFPOKSEGCT-CHWSQXEVSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1CCO ZINC000261942990 135265268 /nfs/dbraw/zinc/26/52/68/135265268.db2.gz MZRVXFPOKSEGCT-OLZOCXBDSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1CCO ZINC000261942991 135264958 /nfs/dbraw/zinc/26/49/58/135264958.db2.gz MZRVXFPOKSEGCT-QWHCGFSZSA-N 2 1 241.379 -0.016 10 0 BBAEMP C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1CCO ZINC000261942993 135265230 /nfs/dbraw/zinc/26/52/30/135265230.db2.gz MZRVXFPOKSEGCT-STQMWFEESA-N 2 1 241.379 -0.016 10 0 BBAEMP CNC(=O)N[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261948624 135265276 /nfs/dbraw/zinc/26/52/76/135265276.db2.gz NPRLUVQGXWOLNK-LLVKDONJSA-N 2 1 240.351 -0.011 10 0 BBAEMP CNC(=O)N[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261948626 135265385 /nfs/dbraw/zinc/26/53/85/135265385.db2.gz NPRLUVQGXWOLNK-NSHDSACASA-N 2 1 240.351 -0.011 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261990238 135269871 /nfs/dbraw/zinc/26/98/71/135269871.db2.gz SPXBFDUZKFGZPT-DBIOUOCHSA-N 2 1 241.335 -0.393 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000261990241 135269473 /nfs/dbraw/zinc/26/94/73/135269473.db2.gz SPXBFDUZKFGZPT-RCWTZXSCSA-N 2 1 241.335 -0.393 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261990242 135269746 /nfs/dbraw/zinc/26/97/46/135269746.db2.gz SPXBFDUZKFGZPT-YTWAJWBKSA-N 2 1 241.335 -0.393 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261990244 135269620 /nfs/dbraw/zinc/26/96/20/135269620.db2.gz SPXBFDUZKFGZPT-ZNSHCXBVSA-N 2 1 241.335 -0.393 10 0 BBAEMP CC1(C)CN(C(=O)[C@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000261991188 135269759 /nfs/dbraw/zinc/26/97/59/135269759.db2.gz MUPHEWOCWMTNGA-NXEZZACHSA-N 2 1 241.335 -0.439 10 0 BBAEMP CC1(C)CN(C(=O)[C@@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000261991190 535344788 /nfs/dbraw/zinc/34/47/88/535344788.db2.gz MUPHEWOCWMTNGA-UWVGGRQHSA-N 2 1 241.335 -0.439 10 0 BBAEMP CC1(C)CN(C(=O)[C@@H]2COCC[NH2+]2)CC[C@H]1[NH3+] ZINC000261991193 535344796 /nfs/dbraw/zinc/34/47/96/535344796.db2.gz MUPHEWOCWMTNGA-VHSXEESVSA-N 2 1 241.335 -0.439 10 0 BBAEMP CC1(C)CN(C(=O)[C@H]2COCC[NH2+]2)CC[C@@H]1[NH3+] ZINC000261991195 135269511 /nfs/dbraw/zinc/26/95/11/135269511.db2.gz MUPHEWOCWMTNGA-ZJUUUORDSA-N 2 1 241.335 -0.439 10 0 BBAEMP CCC([NH3+])(CC)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000261997157 135270895 /nfs/dbraw/zinc/27/08/95/135270895.db2.gz UFCQRRKUSGQOJR-ZJUUUORDSA-N 2 1 243.351 -0.003 10 0 BBAEMP CC[NH+](CC)CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262002950 535539709 /nfs/dbraw/zinc/53/97/09/535539709.db2.gz USJXNDYPBLBXNY-MNOVXSKESA-N 2 1 243.351 -0.179 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000262008650 135272002 /nfs/dbraw/zinc/27/20/02/135272002.db2.gz VIEUWUSSDBYOJL-BBBLOLIVSA-N 2 1 227.308 -0.687 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000262008654 135272123 /nfs/dbraw/zinc/27/21/23/135272123.db2.gz VIEUWUSSDBYOJL-UTLUCORTSA-N 2 1 227.308 -0.687 10 0 BBAEMP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262035103 536359309 /nfs/dbraw/zinc/35/93/09/536359309.db2.gz XXQYJSAXIXGELP-MXWKQRLJSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[NH2+][C@H]1CCCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262035105 536410582 /nfs/dbraw/zinc/41/05/82/536410582.db2.gz XXQYJSAXIXGELP-VWYCJHECSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262036151 135275166 /nfs/dbraw/zinc/27/51/66/135275166.db2.gz YAHVYLHUPCZSSW-BBBLOLIVSA-N 2 1 227.308 -0.816 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262036152 135274777 /nfs/dbraw/zinc/27/47/77/135274777.db2.gz YAHVYLHUPCZSSW-UTLUCORTSA-N 2 1 227.308 -0.816 10 0 BBAEMP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262039728 135274792 /nfs/dbraw/zinc/27/47/92/135274792.db2.gz YJJSXLOLFGFIKT-MXWKQRLJSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C1 ZINC000262039731 135275122 /nfs/dbraw/zinc/27/51/22/135275122.db2.gz YJJSXLOLFGFIKT-VWYCJHECSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@@H](C)[NH2+]1 ZINC000262044818 135276193 /nfs/dbraw/zinc/27/61/93/135276193.db2.gz YYPKVZIGFCYMJE-DBIOUOCHSA-N 2 1 241.335 -0.428 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000262044820 135276300 /nfs/dbraw/zinc/27/63/00/135276300.db2.gz YYPKVZIGFCYMJE-MMWGEVLESA-N 2 1 241.335 -0.428 10 0 BBAEMP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)C[C@H](C)[NH2+]1 ZINC000262044823 135276002 /nfs/dbraw/zinc/27/60/02/135276002.db2.gz YYPKVZIGFCYMJE-YTWAJWBKSA-N 2 1 241.335 -0.428 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000262051329 135275538 /nfs/dbraw/zinc/27/55/38/135275538.db2.gz ZRBJTXHGXUAOOA-SCZZXKLOSA-N 2 1 227.308 -0.769 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000262053806 135276969 /nfs/dbraw/zinc/27/69/69/135276969.db2.gz ZXEBRUQFUOVWDF-SFXRXQKFSA-N 2 1 241.335 -0.251 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000262065561 135277083 /nfs/dbraw/zinc/27/70/83/135277083.db2.gz BEWUYWXIHWVJPO-BBBLOLIVSA-N 2 1 227.308 -0.911 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000262065562 135276458 /nfs/dbraw/zinc/27/64/58/135276458.db2.gz BEWUYWXIHWVJPO-UTLUCORTSA-N 2 1 227.308 -0.911 10 0 BBAEMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000262069698 135277280 /nfs/dbraw/zinc/27/72/80/135277280.db2.gz BXUJTCUEVIWBRK-BXKDBHETSA-N 2 1 237.303 -0.234 10 0 BBAEMP Cc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262069699 135276912 /nfs/dbraw/zinc/27/69/12/135276912.db2.gz BXUJTCUEVIWBRK-CABZTGNLSA-N 2 1 237.303 -0.234 10 0 BBAEMP Cc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000262069701 135277135 /nfs/dbraw/zinc/27/71/35/135277135.db2.gz BXUJTCUEVIWBRK-JOYOIKCWSA-N 2 1 237.303 -0.234 10 0 BBAEMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262069702 135277329 /nfs/dbraw/zinc/27/73/29/135277329.db2.gz BXUJTCUEVIWBRK-SKDRFNHKSA-N 2 1 237.303 -0.234 10 0 BBAEMP CC[NH2+][C@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262092672 135278250 /nfs/dbraw/zinc/27/82/50/135278250.db2.gz DCLXAHMWIWXFMI-BBBLOLIVSA-N 2 1 229.324 -0.523 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000262101966 135279081 /nfs/dbraw/zinc/27/90/81/135279081.db2.gz DTXOUMWDZANGGX-JEZHCXPESA-N 2 1 227.308 -0.783 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000262101969 135279095 /nfs/dbraw/zinc/27/90/95/135279095.db2.gz DTXOUMWDZANGGX-QNSHHTMESA-N 2 1 227.308 -0.783 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000262109024 135279257 /nfs/dbraw/zinc/27/92/57/135279257.db2.gz FEPPQYFAERPGAI-KOLCDFICSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000262109024 135279255 /nfs/dbraw/zinc/27/92/55/135279255.db2.gz FEPPQYFAERPGAI-KOLCDFICSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[NH+](C)C ZINC000262137324 135281236 /nfs/dbraw/zinc/28/12/36/135281236.db2.gz PADLBADRNORDDW-BDAKNGLRSA-N 2 1 215.297 -0.959 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262150808 135282196 /nfs/dbraw/zinc/28/21/96/135282196.db2.gz HTOKPCURCGGRQK-ZNSHCXBVSA-N 2 1 239.319 -0.959 10 0 BBAEMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[NH+](C)C ZINC000262152473 135115588 /nfs/dbraw/zinc/11/55/88/135115588.db2.gz HWQHNEZYPQTDGD-AEJSXWLSSA-N 2 1 229.324 -0.570 10 0 BBAEMP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[NH+](C)C ZINC000262152476 135282128 /nfs/dbraw/zinc/28/21/28/135282128.db2.gz HWQHNEZYPQTDGD-BBBLOLIVSA-N 2 1 229.324 -0.570 10 0 BBAEMP CCn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262156633 536071932 /nfs/dbraw/zinc/07/19/32/536071932.db2.gz SBNPTTILSRSSQQ-GHMZBOCLSA-N 2 1 224.308 -0.427 10 0 BBAEMP CCn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000262156635 536072738 /nfs/dbraw/zinc/07/27/38/536072738.db2.gz SBNPTTILSRSSQQ-MNOVXSKESA-N 2 1 224.308 -0.427 10 0 BBAEMP CCn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000262156637 536071679 /nfs/dbraw/zinc/07/16/79/536071679.db2.gz SBNPTTILSRSSQQ-QWRGUYRKSA-N 2 1 224.308 -0.427 10 0 BBAEMP CCn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262156638 536072108 /nfs/dbraw/zinc/07/21/08/536072108.db2.gz SBNPTTILSRSSQQ-WDEREUQCSA-N 2 1 224.308 -0.427 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262162694 135283206 /nfs/dbraw/zinc/28/32/06/135283206.db2.gz ACMXBMFYFXAAOX-AXFHLTTASA-N 2 1 243.351 -0.099 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000262162715 135282896 /nfs/dbraw/zinc/28/28/96/135282896.db2.gz ACMXBMFYFXAAOX-DCAQKATOSA-N 2 1 243.351 -0.099 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262162742 135116123 /nfs/dbraw/zinc/11/61/23/135116123.db2.gz ACMXBMFYFXAAOX-MXWKQRLJSA-N 2 1 243.351 -0.099 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262162768 135282932 /nfs/dbraw/zinc/28/29/32/135282932.db2.gz ACMXBMFYFXAAOX-VWYCJHECSA-N 2 1 243.351 -0.099 10 0 BBAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262163685 535755214 /nfs/dbraw/zinc/75/52/14/535755214.db2.gz ADYCYYDLUPGFDB-GHMZBOCLSA-N 2 1 243.351 -0.240 10 0 BBAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262163688 135282965 /nfs/dbraw/zinc/28/29/65/135282965.db2.gz ADYCYYDLUPGFDB-MNOVXSKESA-N 2 1 243.351 -0.240 10 0 BBAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])COC)C1 ZINC000262163691 135283067 /nfs/dbraw/zinc/28/30/67/135283067.db2.gz ADYCYYDLUPGFDB-QWRGUYRKSA-N 2 1 243.351 -0.240 10 0 BBAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])COC)C1 ZINC000262163695 135283037 /nfs/dbraw/zinc/28/30/37/135283037.db2.gz ADYCYYDLUPGFDB-WDEREUQCSA-N 2 1 243.351 -0.240 10 0 BBAEMP C[C@@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000262191200 135284952 /nfs/dbraw/zinc/28/49/52/135284952.db2.gz GAMBZENWIFCQGC-PSASIEDQSA-N 2 1 223.320 -0.053 10 0 BBAEMP C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000262191202 135284543 /nfs/dbraw/zinc/28/45/43/135284543.db2.gz GAMBZENWIFCQGC-SCZZXKLOSA-N 2 1 223.320 -0.053 10 0 BBAEMP C[C@H]1C[C@@H](NC(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000262191206 135284795 /nfs/dbraw/zinc/28/47/95/135284795.db2.gz GAMBZENWIFCQGC-WCBMZHEXSA-N 2 1 223.320 -0.053 10 0 BBAEMP C[C@H]1C[C@H](NC(=O)C2C[NH2+]C2)C[N@H+]1C1CC1 ZINC000262191208 135284396 /nfs/dbraw/zinc/28/43/96/135284396.db2.gz GAMBZENWIFCQGC-WPRPVWTQSA-N 2 1 223.320 -0.053 10 0 BBAEMP C[NH2+]CCN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262202677 135289937 /nfs/dbraw/zinc/28/99/37/135289937.db2.gz IHVXBVBUOAXVRO-BDAKNGLRSA-N 2 1 215.297 -0.959 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000262227466 135286437 /nfs/dbraw/zinc/28/64/37/135286437.db2.gz JZNAVILDNJUWJE-MNOVXSKESA-N 2 1 241.335 -0.425 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000262227574 135286367 /nfs/dbraw/zinc/28/63/67/135286367.db2.gz KASSUDQMVWHOCU-KOLCDFICSA-N 2 1 241.335 -0.426 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262234658 135286383 /nfs/dbraw/zinc/28/63/83/135286383.db2.gz HEVJJBAAOFYDCQ-GHMZBOCLSA-N 2 1 243.351 -0.049 10 0 BBAEMP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262234660 536862115 /nfs/dbraw/zinc/86/21/15/536862115.db2.gz HEVJJBAAOFYDCQ-MNOVXSKESA-N 2 1 243.351 -0.049 10 0 BBAEMP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000262234662 536862199 /nfs/dbraw/zinc/86/21/99/536862199.db2.gz HEVJJBAAOFYDCQ-QWRGUYRKSA-N 2 1 243.351 -0.049 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000262234665 135286510 /nfs/dbraw/zinc/28/65/10/135286510.db2.gz HEVJJBAAOFYDCQ-WDEREUQCSA-N 2 1 243.351 -0.049 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000262245431 135287563 /nfs/dbraw/zinc/28/75/63/135287563.db2.gz ICFBXUMEMKQZNX-GHMZBOCLSA-N 2 1 243.351 -0.192 10 0 BBAEMP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000262245440 536861042 /nfs/dbraw/zinc/86/10/42/536861042.db2.gz ICFBXUMEMKQZNX-MNOVXSKESA-N 2 1 243.351 -0.192 10 0 BBAEMP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262245446 536862812 /nfs/dbraw/zinc/86/28/12/536862812.db2.gz ICFBXUMEMKQZNX-QWRGUYRKSA-N 2 1 243.351 -0.192 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000262245447 135287680 /nfs/dbraw/zinc/28/76/80/135287680.db2.gz ICFBXUMEMKQZNX-WDEREUQCSA-N 2 1 243.351 -0.192 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000262246844 135287071 /nfs/dbraw/zinc/28/70/71/135287071.db2.gz LILOKLYHHYMIJY-MXWKQRLJSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000262246844 135287069 /nfs/dbraw/zinc/28/70/69/135287069.db2.gz LILOKLYHHYMIJY-MXWKQRLJSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000262246846 135287605 /nfs/dbraw/zinc/28/76/05/135287605.db2.gz LILOKLYHHYMIJY-VWYCJHECSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000262246846 135287604 /nfs/dbraw/zinc/28/76/04/135287604.db2.gz LILOKLYHHYMIJY-VWYCJHECSA-N 2 1 241.335 -0.426 10 0 BBAEMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262256948 135288184 /nfs/dbraw/zinc/28/81/84/135288184.db2.gz LXKKRLSKAISYSW-DBIOUOCHSA-N 2 1 241.335 -0.523 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262256953 135288417 /nfs/dbraw/zinc/28/84/17/135288417.db2.gz LXKKRLSKAISYSW-VLEAKVRGSA-N 2 1 241.335 -0.523 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262256956 135287938 /nfs/dbraw/zinc/28/79/38/135287938.db2.gz LXKKRLSKAISYSW-ZDCRXTMVSA-N 2 1 241.335 -0.523 10 0 BBAEMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262256960 135288009 /nfs/dbraw/zinc/28/80/09/135288009.db2.gz LXKKRLSKAISYSW-ZNSHCXBVSA-N 2 1 241.335 -0.523 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000262261457 135287971 /nfs/dbraw/zinc/28/79/71/135287971.db2.gz MHLLBRUTARWDNV-MXWKQRLJSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000262261457 135287969 /nfs/dbraw/zinc/28/79/69/135287969.db2.gz MHLLBRUTARWDNV-MXWKQRLJSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262261460 135287892 /nfs/dbraw/zinc/28/78/92/135287892.db2.gz MHLLBRUTARWDNV-VWYCJHECSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000262261460 135287890 /nfs/dbraw/zinc/28/78/90/135287890.db2.gz MHLLBRUTARWDNV-VWYCJHECSA-N 2 1 241.335 -0.569 10 0 BBAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[NH2+]1 ZINC000262264895 135289206 /nfs/dbraw/zinc/28/92/06/135289206.db2.gz MMYGQCWASDVBNX-DBIOUOCHSA-N 2 1 241.335 -0.380 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262264897 135289273 /nfs/dbraw/zinc/28/92/73/135289273.db2.gz MMYGQCWASDVBNX-VLEAKVRGSA-N 2 1 241.335 -0.380 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262264899 135289037 /nfs/dbraw/zinc/28/90/37/135289037.db2.gz MMYGQCWASDVBNX-ZDCRXTMVSA-N 2 1 241.335 -0.380 10 0 BBAEMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC[NH2+]1 ZINC000262264900 135289223 /nfs/dbraw/zinc/28/92/23/135289223.db2.gz MMYGQCWASDVBNX-ZNSHCXBVSA-N 2 1 241.335 -0.380 10 0 BBAEMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262270917 135289042 /nfs/dbraw/zinc/28/90/42/135289042.db2.gz MXLCYZXAGPFWNF-DBIOUOCHSA-N 2 1 241.335 -0.380 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000262270923 135288929 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C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262282651 135289511 /nfs/dbraw/zinc/28/95/11/135289511.db2.gz OAZJKKYWJHCZAS-DBIOUOCHSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262282652 135289934 /nfs/dbraw/zinc/28/99/34/135289934.db2.gz OAZJKKYWJHCZAS-VLEAKVRGSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262282654 135289708 /nfs/dbraw/zinc/28/97/08/135289708.db2.gz OAZJKKYWJHCZAS-ZDCRXTMVSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262282656 135289624 /nfs/dbraw/zinc/28/96/24/135289624.db2.gz OAZJKKYWJHCZAS-ZNSHCXBVSA-N 2 1 241.335 -0.441 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000262286612 135290786 /nfs/dbraw/zinc/29/07/86/135290786.db2.gz OHVMQKQTVYLMBT-ZJUUUORDSA-N 2 1 243.351 -0.180 10 0 BBAEMP CCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262287664 535171991 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ZINC000262437429 135299895 /nfs/dbraw/zinc/29/98/95/135299895.db2.gz UMZOJOWPOYELHJ-GHMZBOCLSA-N 2 1 243.351 -0.240 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)[C@H](C)C[NH3+])C[C@@H]1C ZINC000262437433 135299620 /nfs/dbraw/zinc/29/96/20/135299620.db2.gz UMZOJOWPOYELHJ-MNOVXSKESA-N 2 1 243.351 -0.240 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)[C@H](C)C[NH3+])C[C@@H]1C ZINC000262437433 135299618 /nfs/dbraw/zinc/29/96/18/135299618.db2.gz UMZOJOWPOYELHJ-MNOVXSKESA-N 2 1 243.351 -0.240 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@@H]1C ZINC000262437435 135299794 /nfs/dbraw/zinc/29/97/94/135299794.db2.gz UMZOJOWPOYELHJ-QWRGUYRKSA-N 2 1 243.351 -0.240 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@@H]1C ZINC000262437435 135299792 /nfs/dbraw/zinc/29/97/92/135299792.db2.gz UMZOJOWPOYELHJ-QWRGUYRKSA-N 2 1 243.351 -0.240 10 0 BBAEMP COCC[N@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C ZINC000262437438 135299702 /nfs/dbraw/zinc/29/97/02/135299702.db2.gz UMZOJOWPOYELHJ-WDEREUQCSA-N 2 1 243.351 -0.240 10 0 BBAEMP COCC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH3+])C[C@H]1C ZINC000262437438 135299700 /nfs/dbraw/zinc/29/97/00/135299700.db2.gz UMZOJOWPOYELHJ-WDEREUQCSA-N 2 1 243.351 -0.240 10 0 BBAEMP C[NH2+]CCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000262448891 135299308 /nfs/dbraw/zinc/29/93/08/135299308.db2.gz VQDZLHDWEZKXGE-GHMZBOCLSA-N 2 1 243.351 -0.491 10 0 BBAEMP C[NH2+]CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000262448893 135299206 /nfs/dbraw/zinc/29/92/06/135299206.db2.gz VQDZLHDWEZKXGE-MNOVXSKESA-N 2 1 243.351 -0.491 10 0 BBAEMP C[NH2+]CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000262448896 135299236 /nfs/dbraw/zinc/29/92/36/135299236.db2.gz VQDZLHDWEZKXGE-QWRGUYRKSA-N 2 1 243.351 -0.491 10 0 BBAEMP C[NH2+]CCC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000262448898 135299217 /nfs/dbraw/zinc/29/92/17/135299217.db2.gz VQDZLHDWEZKXGE-WDEREUQCSA-N 2 1 243.351 -0.491 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000262454406 135300237 /nfs/dbraw/zinc/30/02/37/135300237.db2.gz WHQDRTWTQMAWMX-GHMZBOCLSA-N 2 1 243.351 -0.240 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000262454408 135300033 /nfs/dbraw/zinc/30/00/33/135300033.db2.gz WHQDRTWTQMAWMX-MNOVXSKESA-N 2 1 243.351 -0.240 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000262454410 135300144 /nfs/dbraw/zinc/30/01/44/135300144.db2.gz WHQDRTWTQMAWMX-QWRGUYRKSA-N 2 1 243.351 -0.240 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000262454412 135300523 /nfs/dbraw/zinc/30/05/23/135300523.db2.gz WHQDRTWTQMAWMX-WDEREUQCSA-N 2 1 243.351 -0.240 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000262651367 135310990 /nfs/dbraw/zinc/31/09/90/135310990.db2.gz ABIWRGAHQHGOBO-UWVGGRQHSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@@H]1C ZINC000262651367 135310988 /nfs/dbraw/zinc/31/09/88/135310988.db2.gz ABIWRGAHQHGOBO-UWVGGRQHSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000262651370 135311292 /nfs/dbraw/zinc/31/12/92/135311292.db2.gz ABIWRGAHQHGOBO-ZJUUUORDSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)[NH3+])C[C@H]1C ZINC000262651370 135311290 /nfs/dbraw/zinc/31/12/90/135311290.db2.gz ABIWRGAHQHGOBO-ZJUUUORDSA-N 2 1 243.351 -0.363 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@@H]1C ZINC000262696029 135314631 /nfs/dbraw/zinc/31/46/31/135314631.db2.gz DGXZKXHSFXCHKN-UWVGGRQHSA-N 2 1 241.335 -0.609 10 0 BBAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])CC2)C[C@H]1C ZINC000262696030 135314527 /nfs/dbraw/zinc/31/45/27/135314527.db2.gz DGXZKXHSFXCHKN-ZJUUUORDSA-N 2 1 241.335 -0.609 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000263204794 135339581 /nfs/dbraw/zinc/33/95/81/135339581.db2.gz JPLINIJXEWOHDI-GXSJLCMTSA-N 2 1 247.302 -0.601 10 0 BBAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000263204795 135339389 /nfs/dbraw/zinc/33/93/89/135339389.db2.gz JPLINIJXEWOHDI-KOLCDFICSA-N 2 1 247.302 -0.601 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000263204796 135339483 /nfs/dbraw/zinc/33/94/83/135339483.db2.gz JPLINIJXEWOHDI-MWLCHTKSSA-N 2 1 247.302 -0.601 10 0 BBAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000263204797 135339508 /nfs/dbraw/zinc/33/95/08/135339508.db2.gz JPLINIJXEWOHDI-ONGXEEELSA-N 2 1 247.302 -0.601 10 0 BBAEMP NC(=O)c1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224666 135341244 /nfs/dbraw/zinc/34/12/44/135341244.db2.gz MPJTZIVGDQGGHY-NEPJUHHUSA-N 2 1 249.314 -0.545 10 0 BBAEMP NC(=O)c1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224667 135341232 /nfs/dbraw/zinc/34/12/32/135341232.db2.gz MPJTZIVGDQGGHY-NWDGAFQWSA-N 2 1 249.314 -0.545 10 0 BBAEMP NC(=O)c1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263224669 135340738 /nfs/dbraw/zinc/34/07/38/135340738.db2.gz MPJTZIVGDQGGHY-RYUDHWBXSA-N 2 1 249.314 -0.545 10 0 BBAEMP NC(=O)c1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263224670 135340878 /nfs/dbraw/zinc/34/08/78/135340878.db2.gz MPJTZIVGDQGGHY-VXGBXAGGSA-N 2 1 249.314 -0.545 10 0 BBAEMP COCCC[N@@H+](C)CCNC(=O)C1C[NH2+]C1 ZINC000263240521 536499914 /nfs/dbraw/zinc/49/99/14/536499914.db2.gz CEBAGXQRDDEVIA-UHFFFAOYSA-N 2 1 229.324 -0.710 10 0 BBAEMP CCCn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263257208 535612709 /nfs/dbraw/zinc/61/27/09/535612709.db2.gz QQMGJNKVYSRFRC-NEPJUHHUSA-N 2 1 238.335 -0.037 10 0 BBAEMP CCCn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263257210 535612722 /nfs/dbraw/zinc/61/27/22/535612722.db2.gz QQMGJNKVYSRFRC-NWDGAFQWSA-N 2 1 238.335 -0.037 10 0 BBAEMP CCCn1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263257212 535611754 /nfs/dbraw/zinc/61/17/54/535611754.db2.gz QQMGJNKVYSRFRC-RYUDHWBXSA-N 2 1 238.335 -0.037 10 0 BBAEMP CCCn1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263257215 535612471 /nfs/dbraw/zinc/61/24/71/535612471.db2.gz QQMGJNKVYSRFRC-VXGBXAGGSA-N 2 1 238.335 -0.037 10 0 BBAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1C[NH2+]C1 ZINC000263267641 135343813 /nfs/dbraw/zinc/34/38/13/135343813.db2.gz HRUWWZVBGDHSRH-LLVKDONJSA-N 2 1 241.335 -0.567 10 0 BBAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1C[NH2+]C1 ZINC000263267643 135343695 /nfs/dbraw/zinc/34/36/95/135343695.db2.gz HRUWWZVBGDHSRH-NSHDSACASA-N 2 1 241.335 -0.567 10 0 BBAEMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263283892 135344349 /nfs/dbraw/zinc/34/43/49/135344349.db2.gz USDADDBLFKMWDY-GXSJLCMTSA-N 2 1 224.308 -0.304 10 0 BBAEMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263283893 135344139 /nfs/dbraw/zinc/34/41/39/135344139.db2.gz USDADDBLFKMWDY-KOLCDFICSA-N 2 1 224.308 -0.304 10 0 BBAEMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263283894 135344476 /nfs/dbraw/zinc/34/44/76/135344476.db2.gz USDADDBLFKMWDY-MWLCHTKSSA-N 2 1 224.308 -0.304 10 0 BBAEMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263283895 135344411 /nfs/dbraw/zinc/34/44/11/135344411.db2.gz USDADDBLFKMWDY-ONGXEEELSA-N 2 1 224.308 -0.304 10 0 BBAEMP Cc1[nH+]ccn1CCCNC(=O)C1C[NH2+]C1 ZINC000263289708 135348942 /nfs/dbraw/zinc/34/89/42/135348942.db2.gz LHNUVTTXWYCVKU-UHFFFAOYSA-N 2 1 222.292 -0.083 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC000263305488 135344893 /nfs/dbraw/zinc/34/48/93/135344893.db2.gz XSTFRMYUPLKVPE-GXSJLCMTSA-N 2 1 225.267 -0.109 10 0 BBAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC000263305489 135345863 /nfs/dbraw/zinc/34/58/63/135345863.db2.gz XSTFRMYUPLKVPE-KOLCDFICSA-N 2 1 225.267 -0.109 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC000263305490 135345743 /nfs/dbraw/zinc/34/57/43/135345743.db2.gz XSTFRMYUPLKVPE-MWLCHTKSSA-N 2 1 225.267 -0.109 10 0 BBAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC000263305491 135346232 /nfs/dbraw/zinc/34/62/32/135346232.db2.gz XSTFRMYUPLKVPE-ONGXEEELSA-N 2 1 225.267 -0.109 10 0 BBAEMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263313285 135346204 /nfs/dbraw/zinc/34/62/04/135346204.db2.gz ZADBMABLDDABMC-CMPLNLGQSA-N 2 1 238.335 -0.293 10 0 BBAEMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263313287 135345654 /nfs/dbraw/zinc/34/56/54/135345654.db2.gz ZADBMABLDDABMC-JQWIXIFHSA-N 2 1 238.335 -0.293 10 0 BBAEMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263313289 135345606 /nfs/dbraw/zinc/34/56/06/135345606.db2.gz ZADBMABLDDABMC-PWSUYJOCSA-N 2 1 238.335 -0.293 10 0 BBAEMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263313290 135345599 /nfs/dbraw/zinc/34/55/99/135345599.db2.gz ZADBMABLDDABMC-ZYHUDNBSSA-N 2 1 238.335 -0.293 10 0 BBAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000263328401 135347446 /nfs/dbraw/zinc/34/74/46/135347446.db2.gz UDEADLNJECQFSO-JTQLQIEISA-N 2 1 241.335 -0.710 10 0 BBAEMP C[C@H](CNC(=O)C1C[NH2+]C1)C[NH+]1CCOCC1 ZINC000263328402 135347799 /nfs/dbraw/zinc/34/77/99/135347799.db2.gz UDEADLNJECQFSO-SNVBAGLBSA-N 2 1 241.335 -0.710 10 0 BBAEMP [NH3+][C@@H]1CCOC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000299965044 358958437 /nfs/dbraw/zinc/95/84/37/358958437.db2.gz AAQQSDPQYWRSOM-KXUCPTDWSA-N 2 1 200.282 -0.583 10 0 BBAEMP [NH3+][C@@H]1CCOC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000299965045 358958373 /nfs/dbraw/zinc/95/83/73/358958373.db2.gz AAQQSDPQYWRSOM-LPEHRKFASA-N 2 1 200.282 -0.583 10 0 BBAEMP CC[N@H+]1CCO[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304472197 644908447 /nfs/dbraw/zinc/90/84/47/644908447.db2.gz ASJSLKAZTRLKPG-NXEZZACHSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@@H+]1CCO[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304472197 644908443 /nfs/dbraw/zinc/90/84/43/644908443.db2.gz ASJSLKAZTRLKPG-NXEZZACHSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304472199 644908667 /nfs/dbraw/zinc/90/86/67/644908667.db2.gz ASJSLKAZTRLKPG-UWVGGRQHSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304472199 644908663 /nfs/dbraw/zinc/90/86/63/644908663.db2.gz ASJSLKAZTRLKPG-UWVGGRQHSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@H+]1CCO[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304472201 644909282 /nfs/dbraw/zinc/90/92/82/644909282.db2.gz ASJSLKAZTRLKPG-VHSXEESVSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@@H+]1CCO[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000304472201 644909277 /nfs/dbraw/zinc/90/92/77/644909277.db2.gz ASJSLKAZTRLKPG-VHSXEESVSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304472203 644908722 /nfs/dbraw/zinc/90/87/22/644908722.db2.gz ASJSLKAZTRLKPG-ZJUUUORDSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000304472203 644908720 /nfs/dbraw/zinc/90/87/20/644908720.db2.gz ASJSLKAZTRLKPG-ZJUUUORDSA-N 2 1 226.324 -0.356 10 0 BBAEMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000304631927 644921854 /nfs/dbraw/zinc/92/18/54/644921854.db2.gz ZICAQRFBHKQVJW-JTQLQIEISA-N 2 1 226.324 -0.402 10 0 BBAEMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000304631927 644921850 /nfs/dbraw/zinc/92/18/50/644921850.db2.gz ZICAQRFBHKQVJW-JTQLQIEISA-N 2 1 226.324 -0.402 10 0 BBAEMP CC[N@H+]1CCO[C@H](CNC2=[NH+]CCN2C)C1 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352591477 /nfs/dbraw/zinc/59/14/77/352591477.db2.gz KPTCQUDQLKEXJS-SSDOTTSWSA-N 2 1 201.295 -0.921 10 0 BBAEMP CN1CC(NC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000307418555 352591489 /nfs/dbraw/zinc/59/14/89/352591489.db2.gz KPTCQUDQLKEXJS-ZETCQYMHSA-N 2 1 201.295 -0.921 10 0 BBAEMP [NH3+]CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000307639729 490253963 /nfs/dbraw/zinc/25/39/63/490253963.db2.gz FXMXQLSAVZJTRU-LURJTMIESA-N 2 1 207.224 -0.694 10 0 BBAEMP [NH3+]CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000307639730 411515502 /nfs/dbraw/zinc/51/55/02/411515502.db2.gz FXMXQLSAVZJTRU-ZCFIWIBFSA-N 2 1 207.224 -0.694 10 0 BBAEMP C[C@@H]([NH3+])CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000308576712 347874245 /nfs/dbraw/zinc/87/42/45/347874245.db2.gz NCBYRBFTOIXVOS-RNFRBKRXSA-N 2 1 203.311 -0.498 10 0 BBAEMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000308827729 491138315 /nfs/dbraw/zinc/13/83/15/491138315.db2.gz AONFHOBQRQOEEI-HTQZYQBOSA-N 2 1 208.265 -0.339 10 0 BBAEMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000308827731 491138351 /nfs/dbraw/zinc/13/83/51/491138351.db2.gz AONFHOBQRQOEEI-JGVFFNPUSA-N 2 1 208.265 -0.339 10 0 BBAEMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000308827733 491138294 /nfs/dbraw/zinc/13/82/94/491138294.db2.gz AONFHOBQRQOEEI-SFYZADRCSA-N 2 1 208.265 -0.339 10 0 BBAEMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC000308827735 491138339 /nfs/dbraw/zinc/13/83/39/491138339.db2.gz AONFHOBQRQOEEI-YUMQZZPRSA-N 2 1 208.265 -0.339 10 0 BBAEMP CC(C)OC[C@H](O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000308852288 631694644 /nfs/dbraw/zinc/69/46/44/631694644.db2.gz OTEMUNPVFOKWAK-NXEZZACHSA-N 2 1 220.313 -0.976 10 0 BBAEMP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000308852290 631930623 /nfs/dbraw/zinc/93/06/23/631930623.db2.gz OTEMUNPVFOKWAK-UWVGGRQHSA-N 2 1 220.313 -0.976 10 0 BBAEMP CC(C)OC[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000308852292 631932214 /nfs/dbraw/zinc/93/22/14/631932214.db2.gz OTEMUNPVFOKWAK-VHSXEESVSA-N 2 1 220.313 -0.976 10 0 BBAEMP 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/nfs/dbraw/zinc/74/66/89/410746689.db2.gz VWPQFLANJQSLCN-GHMZBOCLSA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)COC ZINC000309291715 410746686 /nfs/dbraw/zinc/74/66/86/410746686.db2.gz VWPQFLANJQSLCN-GHMZBOCLSA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)COC ZINC000309291716 410745998 /nfs/dbraw/zinc/74/59/98/410745998.db2.gz VWPQFLANJQSLCN-MNOVXSKESA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)COC ZINC000309291716 410745993 /nfs/dbraw/zinc/74/59/93/410745993.db2.gz VWPQFLANJQSLCN-MNOVXSKESA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)COC ZINC000309291717 410746840 /nfs/dbraw/zinc/74/68/40/410746840.db2.gz VWPQFLANJQSLCN-QWRGUYRKSA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)COC ZINC000309291717 410746833 /nfs/dbraw/zinc/74/68/33/410746833.db2.gz VWPQFLANJQSLCN-QWRGUYRKSA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)COC ZINC000309291718 410747317 /nfs/dbraw/zinc/74/73/17/410747317.db2.gz VWPQFLANJQSLCN-WDEREUQCSA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)COC ZINC000309291718 410747310 /nfs/dbraw/zinc/74/73/10/410747310.db2.gz VWPQFLANJQSLCN-WDEREUQCSA-N 2 1 234.340 -0.450 10 0 BBAEMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CO ZINC000309304313 633894082 /nfs/dbraw/zinc/89/40/82/633894082.db2.gz ZIPRWOMSRDXEBC-JTQLQIEISA-N 2 1 234.340 -0.714 10 0 BBAEMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CO ZINC000309304313 633894078 /nfs/dbraw/zinc/89/40/78/633894078.db2.gz ZIPRWOMSRDXEBC-JTQLQIEISA-N 2 1 234.340 -0.714 10 0 BBAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CO ZINC000309304314 631997216 /nfs/dbraw/zinc/99/72/16/631997216.db2.gz ZIPRWOMSRDXEBC-SNVBAGLBSA-N 2 1 234.340 -0.714 10 0 BBAEMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CO ZINC000309304314 631997206 /nfs/dbraw/zinc/99/72/06/631997206.db2.gz ZIPRWOMSRDXEBC-SNVBAGLBSA-N 2 1 234.340 -0.714 10 0 BBAEMP C[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000309458238 411403330 /nfs/dbraw/zinc/40/33/30/411403330.db2.gz OCLFQJJHZHMDSC-BQBZGAKWSA-N 2 1 221.251 -0.305 10 0 BBAEMP C[C@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000309458239 411403534 /nfs/dbraw/zinc/40/35/34/411403534.db2.gz OCLFQJJHZHMDSC-NKWVEPMBSA-N 2 1 221.251 -0.305 10 0 BBAEMP C[C@@H]([NH3+])CNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000309458240 411403476 /nfs/dbraw/zinc/40/34/76/411403476.db2.gz OCLFQJJHZHMDSC-RNFRBKRXSA-N 2 1 221.251 -0.305 10 0 BBAEMP C[C@@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000309458241 411403246 /nfs/dbraw/zinc/40/32/46/411403246.db2.gz OCLFQJJHZHMDSC-RQJHMYQMSA-N 2 1 221.251 -0.305 10 0 BBAEMP C[NH2+][C@@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000309472279 411497841 /nfs/dbraw/zinc/49/78/41/411497841.db2.gz RFAIHYKYFUGHEQ-LURJTMIESA-N 2 1 228.321 -0.061 10 0 BBAEMP C[NH2+][C@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000309472282 411497799 /nfs/dbraw/zinc/49/77/99/411497799.db2.gz RFAIHYKYFUGHEQ-ZCFIWIBFSA-N 2 1 228.321 -0.061 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000309517730 411158433 /nfs/dbraw/zinc/15/84/33/411158433.db2.gz SEUDDZPNHWYAHB-GARJFASQSA-N 3 1 213.325 -0.844 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000309517731 411158532 /nfs/dbraw/zinc/15/85/32/411158532.db2.gz SEUDDZPNHWYAHB-GMTAPVOTSA-N 3 1 213.325 -0.844 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000309517732 411158428 /nfs/dbraw/zinc/15/84/28/411158428.db2.gz SEUDDZPNHWYAHB-HBNTYKKESA-N 3 1 213.325 -0.844 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000309517733 411158813 /nfs/dbraw/zinc/15/88/13/411158813.db2.gz SEUDDZPNHWYAHB-OUAUKWLOSA-N 3 1 213.325 -0.844 10 0 BBAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@H](CO)C2)C1 ZINC000309527127 633189294 /nfs/dbraw/zinc/18/92/94/633189294.db2.gz CBQQDXOQJZGCMN-AXFHLTTASA-N 2 1 214.309 -0.193 10 0 BBAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](CO)C2)C1 ZINC000309527132 632469500 /nfs/dbraw/zinc/46/95/00/632469500.db2.gz CBQQDXOQJZGCMN-HBNTYKKESA-N 2 1 214.309 -0.193 10 0 BBAEMP [NH3+]CCCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000309594013 342729221 /nfs/dbraw/zinc/72/92/21/342729221.db2.gz HUGFCMNZJVWKCD-SSDOTTSWSA-N 2 1 221.251 -0.304 10 0 BBAEMP [NH3+]CCCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000309594015 342729286 /nfs/dbraw/zinc/72/92/86/342729286.db2.gz HUGFCMNZJVWKCD-ZETCQYMHSA-N 2 1 221.251 -0.304 10 0 BBAEMP C[NH2+]CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000309615105 342754088 /nfs/dbraw/zinc/75/40/88/342754088.db2.gz DTSLFBBKOBFSQK-SSDOTTSWSA-N 2 1 221.251 -0.433 10 0 BBAEMP C[NH2+]CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000309615106 342754118 /nfs/dbraw/zinc/75/41/18/342754118.db2.gz DTSLFBBKOBFSQK-ZETCQYMHSA-N 2 1 221.251 -0.433 10 0 BBAEMP CC[NH2+]CCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000309664617 342779653 /nfs/dbraw/zinc/77/96/53/342779653.db2.gz ZRGHRTXZTBYFLF-SECBINFHSA-N 2 1 215.297 -0.909 10 0 BBAEMP CC[NH2+]CCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000309664618 411197620 /nfs/dbraw/zinc/19/76/20/411197620.db2.gz ZRGHRTXZTBYFLF-VIFPVBQESA-N 2 1 215.297 -0.909 10 0 BBAEMP CC[N@@H+](C)C[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310242494 386168625 /nfs/dbraw/zinc/16/86/25/386168625.db2.gz IZRJLDPSCPKWPQ-SECBINFHSA-N 2 1 241.339 -0.216 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310242495 398130632 /nfs/dbraw/zinc/13/06/32/398130632.db2.gz IZRJLDPSCPKWPQ-VIFPVBQESA-N 2 1 241.339 -0.216 10 0 BBAEMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000310400425 635893203 /nfs/dbraw/zinc/89/32/03/635893203.db2.gz MVZIDOSXWLWMMA-SDDRHHMPSA-N 2 1 245.367 -0.796 10 0 BBAEMP COCC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000310400426 634140350 /nfs/dbraw/zinc/14/03/50/634140350.db2.gz MVZIDOSXWLWMMA-SRVKXCTJSA-N 2 1 245.367 -0.796 10 0 BBAEMP COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000310400428 634139954 /nfs/dbraw/zinc/13/99/54/634139954.db2.gz MVZIDOSXWLWMMA-WOPDTQHZSA-N 2 1 245.367 -0.796 10 0 BBAEMP CC(C)OC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338394 641556760 /nfs/dbraw/zinc/55/67/60/641556760.db2.gz BQWWHCBLOQSTJN-NEPJUHHUSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338394 641556751 /nfs/dbraw/zinc/55/67/51/641556751.db2.gz BQWWHCBLOQSTJN-NEPJUHHUSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338395 711718671 /nfs/dbraw/zinc/71/86/71/711718671.db2.gz BQWWHCBLOQSTJN-NWDGAFQWSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338395 711718670 /nfs/dbraw/zinc/71/86/70/711718670.db2.gz BQWWHCBLOQSTJN-NWDGAFQWSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339195 711717757 /nfs/dbraw/zinc/71/77/57/711717757.db2.gz BQWWHCBLOQSTJN-RYUDHWBXSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@@H](O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339195 711717755 /nfs/dbraw/zinc/71/77/55/711717755.db2.gz BQWWHCBLOQSTJN-RYUDHWBXSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339196 711717897 /nfs/dbraw/zinc/71/78/97/711717897.db2.gz BQWWHCBLOQSTJN-VXGBXAGGSA-N 2 1 246.351 -0.178 10 0 BBAEMP CC(C)OC[C@H](O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339196 711717895 /nfs/dbraw/zinc/71/78/95/711717895.db2.gz BQWWHCBLOQSTJN-VXGBXAGGSA-N 2 1 246.351 -0.178 10 0 BBAEMP OC[C@]1(O)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000314125199 326291800 /nfs/dbraw/zinc/29/18/00/326291800.db2.gz GMZWDBZFAJZPCK-NEPJUHHUSA-N 2 1 228.336 -0.195 10 0 BBAEMP OC[C@@]1(O)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000314125201 326291647 /nfs/dbraw/zinc/29/16/47/326291647.db2.gz GMZWDBZFAJZPCK-NWDGAFQWSA-N 2 1 228.336 -0.195 10 0 BBAEMP OC[C@]1(O)CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000314125203 326291690 /nfs/dbraw/zinc/29/16/90/326291690.db2.gz GMZWDBZFAJZPCK-RYUDHWBXSA-N 2 1 228.336 -0.195 10 0 BBAEMP OC[C@@]1(O)CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000314125205 326291804 /nfs/dbraw/zinc/29/18/04/326291804.db2.gz GMZWDBZFAJZPCK-VXGBXAGGSA-N 2 1 228.336 -0.195 10 0 BBAEMP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324314037 388381366 /nfs/dbraw/zinc/38/13/66/388381366.db2.gz FRSLOLSBKXBZDF-NXEZZACHSA-N 2 1 218.341 -0.095 10 0 BBAEMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324314038 388381285 /nfs/dbraw/zinc/38/12/85/388381285.db2.gz FRSLOLSBKXBZDF-UWVGGRQHSA-N 2 1 218.341 -0.095 10 0 BBAEMP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324314039 388382009 /nfs/dbraw/zinc/38/20/09/388382009.db2.gz FRSLOLSBKXBZDF-VHSXEESVSA-N 2 1 218.341 -0.095 10 0 BBAEMP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324314040 388382022 /nfs/dbraw/zinc/38/20/22/388382022.db2.gz FRSLOLSBKXBZDF-ZJUUUORDSA-N 2 1 218.341 -0.095 10 0 BBAEMP CC1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[NH2+]C1 ZINC000335046943 384779710 /nfs/dbraw/zinc/77/97/10/384779710.db2.gz QPZPDKJVIJEWHT-JTQLQIEISA-N 2 1 223.320 -0.098 10 0 BBAEMP CC1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[NH2+]C1 ZINC000335046945 384778686 /nfs/dbraw/zinc/77/86/86/384778686.db2.gz QPZPDKJVIJEWHT-SNVBAGLBSA-N 2 1 223.320 -0.098 10 0 BBAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000335140470 345140149 /nfs/dbraw/zinc/14/01/49/345140149.db2.gz NZAWQUCRCMKHLL-NXEZZACHSA-N 2 1 211.309 -0.051 10 0 BBAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000335140471 345140121 /nfs/dbraw/zinc/14/01/21/345140121.db2.gz NZAWQUCRCMKHLL-VHSXEESVSA-N 2 1 211.309 -0.051 10 0 BBAEMP C[C@H](C[NH3+])NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000335630152 384403521 /nfs/dbraw/zinc/40/35/21/384403521.db2.gz WAVOXOLQPHFQKA-RNFRBKRXSA-N 2 1 221.251 -0.305 10 0 BBAEMP C[C@H](C[NH3+])NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000335630153 384405357 /nfs/dbraw/zinc/40/53/57/384405357.db2.gz WAVOXOLQPHFQKA-RQJHMYQMSA-N 2 1 221.251 -0.305 10 0 BBAEMP CN(C(=O)[C@H]1CC[NH2+]CC1(F)F)C1C[NH2+]C1 ZINC000335732625 136349577 /nfs/dbraw/zinc/34/95/77/136349577.db2.gz OOOVRDOYLIVUIL-MRVPVSSYSA-N 2 1 233.262 -0.339 10 0 BBAEMP CN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)C1C[NH2+]C1 ZINC000335732626 136349475 /nfs/dbraw/zinc/34/94/75/136349475.db2.gz OOOVRDOYLIVUIL-QMMMGPOBSA-N 2 1 233.262 -0.339 10 0 BBAEMP O=C([C@H]1CC[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000336174302 388456267 /nfs/dbraw/zinc/45/62/67/388456267.db2.gz AWOFYYZZIASWFZ-NXEZZACHSA-N 2 1 209.293 -0.345 10 0 BBAEMP O=C([C@H]1CC[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000336174303 388456802 /nfs/dbraw/zinc/45/68/02/388456802.db2.gz AWOFYYZZIASWFZ-VHSXEESVSA-N 2 1 209.293 -0.345 10 0 BBAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC000378748501 346823080 /nfs/dbraw/zinc/82/30/80/346823080.db2.gz SQVHPJFNDVSCDY-RNFRBKRXSA-N 2 1 221.251 -0.448 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CO ZINC000379538627 712387832 /nfs/dbraw/zinc/38/78/32/712387832.db2.gz NGSOHDFJLPEICT-SECBINFHSA-N 2 1 204.314 -0.341 10 0 BBAEMP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CO ZINC000379538627 712387831 /nfs/dbraw/zinc/38/78/31/712387831.db2.gz NGSOHDFJLPEICT-SECBINFHSA-N 2 1 204.314 -0.341 10 0 BBAEMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CO ZINC000379538636 712387802 /nfs/dbraw/zinc/38/78/02/712387802.db2.gz NGSOHDFJLPEICT-VIFPVBQESA-N 2 1 204.314 -0.341 10 0 BBAEMP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CO ZINC000379538636 712387801 /nfs/dbraw/zinc/38/78/01/712387801.db2.gz NGSOHDFJLPEICT-VIFPVBQESA-N 2 1 204.314 -0.341 10 0 BBAEMP C[NH2+][C@@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000379623304 398157980 /nfs/dbraw/zinc/15/79/80/398157980.db2.gz HSJNMHKJUYMORC-BQBZGAKWSA-N 2 1 203.311 -0.627 10 0 BBAEMP C[NH2+][C@@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000379623305 398157544 /nfs/dbraw/zinc/15/75/44/398157544.db2.gz HSJNMHKJUYMORC-NKWVEPMBSA-N 2 1 203.311 -0.627 10 0 BBAEMP C[NH2+][C@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000379623306 398157458 /nfs/dbraw/zinc/15/74/58/398157458.db2.gz HSJNMHKJUYMORC-RNFRBKRXSA-N 2 1 203.311 -0.627 10 0 BBAEMP C[NH2+][C@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000379623309 398157717 /nfs/dbraw/zinc/15/77/17/398157717.db2.gz HSJNMHKJUYMORC-RQJHMYQMSA-N 2 1 203.311 -0.627 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCOC3=O)C[C@@H]12 ZINC000379840989 712616557 /nfs/dbraw/zinc/61/65/57/712616557.db2.gz GRTIJLQTYVNZDT-KYXWUPHJSA-N 2 1 210.277 -0.029 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCOC3=O)C[C@H]12 ZINC000379840995 712616532 /nfs/dbraw/zinc/61/65/32/712616532.db2.gz GRTIJLQTYVNZDT-RGOKHQFPSA-N 2 1 210.277 -0.029 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)C[C@H]12 ZINC000379840997 712616449 /nfs/dbraw/zinc/61/64/49/712616449.db2.gz GRTIJLQTYVNZDT-UTINFBMNSA-N 2 1 210.277 -0.029 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCOC3=O)C[C@@H]12 ZINC000379840999 712616512 /nfs/dbraw/zinc/61/65/12/712616512.db2.gz GRTIJLQTYVNZDT-ZYUZMQFOSA-N 2 1 210.277 -0.029 10 0 BBAEMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000379876523 365335207 /nfs/dbraw/zinc/33/52/07/365335207.db2.gz TWFPVKOBGCMXIR-AEJSXWLSSA-N 2 1 211.309 -0.256 10 0 BBAEMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000379876524 365334899 /nfs/dbraw/zinc/33/48/99/365334899.db2.gz TWFPVKOBGCMXIR-GUBZILKMSA-N 2 1 211.309 -0.256 10 0 BBAEMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000379876525 365335176 /nfs/dbraw/zinc/33/51/76/365335176.db2.gz TWFPVKOBGCMXIR-IVZWLZJFSA-N 2 1 211.309 -0.256 10 0 BBAEMP CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000379876526 365334742 /nfs/dbraw/zinc/33/47/42/365334742.db2.gz TWFPVKOBGCMXIR-LPEHRKFASA-N 2 1 211.309 -0.256 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC000379903052 365475208 /nfs/dbraw/zinc/47/52/08/365475208.db2.gz JBAUKESVSSDANG-MRVPVSSYSA-N 2 1 210.281 -0.084 10 0 BBAEMP C[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379952419 398179047 /nfs/dbraw/zinc/17/90/47/398179047.db2.gz FEVVLHPQPXCETA-GXSJLCMTSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379952419 398179045 /nfs/dbraw/zinc/17/90/45/398179045.db2.gz FEVVLHPQPXCETA-GXSJLCMTSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379952423 398179034 /nfs/dbraw/zinc/17/90/34/398179034.db2.gz FEVVLHPQPXCETA-KOLCDFICSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379952423 398179032 /nfs/dbraw/zinc/17/90/32/398179032.db2.gz FEVVLHPQPXCETA-KOLCDFICSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@@H](O)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379952429 398178885 /nfs/dbraw/zinc/17/88/85/398178885.db2.gz FEVVLHPQPXCETA-MWLCHTKSSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@@H](O)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379952429 398178884 /nfs/dbraw/zinc/17/88/84/398178884.db2.gz FEVVLHPQPXCETA-MWLCHTKSSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379952434 398178856 /nfs/dbraw/zinc/17/88/56/398178856.db2.gz FEVVLHPQPXCETA-ONGXEEELSA-N 2 1 216.325 -0.198 10 0 BBAEMP C[C@H](O)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379952434 398178853 /nfs/dbraw/zinc/17/88/53/398178853.db2.gz FEVVLHPQPXCETA-ONGXEEELSA-N 2 1 216.325 -0.198 10 0 BBAEMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000380105949 365882325 /nfs/dbraw/zinc/88/23/25/365882325.db2.gz YMZVKJIQXUSOEF-IJLUTSLNSA-N 2 1 246.351 -0.308 10 0 BBAEMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000380105949 365882321 /nfs/dbraw/zinc/88/23/21/365882321.db2.gz YMZVKJIQXUSOEF-IJLUTSLNSA-N 2 1 246.351 -0.308 10 0 BBAEMP CN1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000381578622 367432603 /nfs/dbraw/zinc/43/26/03/367432603.db2.gz ZKDPGJXTBHHDTF-MMWGEVLESA-N 2 1 223.320 -0.114 10 0 BBAEMP CN1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000381578625 367432017 /nfs/dbraw/zinc/43/20/17/367432017.db2.gz ZKDPGJXTBHHDTF-NAKRPEOUSA-N 2 1 223.320 -0.114 10 0 BBAEMP CN1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000381578628 367432395 /nfs/dbraw/zinc/43/23/95/367432395.db2.gz ZKDPGJXTBHHDTF-VLEAKVRGSA-N 2 1 223.320 -0.114 10 0 BBAEMP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CCC[NH3+] ZINC000381980319 398255332 /nfs/dbraw/zinc/25/53/32/398255332.db2.gz FDBWKUNSSJZPOD-BDAKNGLRSA-N 2 1 215.297 -0.830 10 0 BBAEMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000386174885 487833092 /nfs/dbraw/zinc/83/30/92/487833092.db2.gz XCTBLXSOFSXBLL-JTQLQIEISA-N 2 1 226.324 -0.354 10 0 BBAEMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]CCCN2)C1 ZINC000386174885 487833090 /nfs/dbraw/zinc/83/30/90/487833090.db2.gz XCTBLXSOFSXBLL-JTQLQIEISA-N 2 1 226.324 -0.354 10 0 BBAEMP CC[N@H+]1CCO[C@H](CNC2=[NH+]CCCN2)C1 ZINC000386174888 487833193 /nfs/dbraw/zinc/83/31/93/487833193.db2.gz XCTBLXSOFSXBLL-SNVBAGLBSA-N 2 1 226.324 -0.354 10 0 BBAEMP CC[N@@H+]1CCO[C@H](CNC2=[NH+]CCCN2)C1 ZINC000386174888 487833190 /nfs/dbraw/zinc/83/31/90/487833190.db2.gz XCTBLXSOFSXBLL-SNVBAGLBSA-N 2 1 226.324 -0.354 10 0 BBAEMP C[C@@H]([NH3+])CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000389273661 355939963 /nfs/dbraw/zinc/93/99/63/355939963.db2.gz NCBYRBFTOIXVOS-RQJHMYQMSA-N 2 1 203.311 -0.498 10 0 BBAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000389693661 488105806 /nfs/dbraw/zinc/10/58/06/488105806.db2.gz AYRAEKIHYQWJIN-HBNTYKKESA-N 2 1 241.335 -0.690 10 0 BBAEMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000389748179 357022569 /nfs/dbraw/zinc/02/25/69/357022569.db2.gz YCTQZBBZEGGHBO-AATLWQCWSA-N 2 1 211.309 -0.081 10 0 BBAEMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000389748181 358678637 /nfs/dbraw/zinc/67/86/37/358678637.db2.gz YCTQZBBZEGGHBO-AXTSPUMRSA-N 2 1 211.309 -0.081 10 0 BBAEMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000389748182 358678705 /nfs/dbraw/zinc/67/87/05/358678705.db2.gz YCTQZBBZEGGHBO-QCLAVDOMSA-N 2 1 211.309 -0.081 10 0 BBAEMP CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000389748187 358678728 /nfs/dbraw/zinc/67/87/28/358678728.db2.gz YCTQZBBZEGGHBO-SGIHWFKDSA-N 2 1 211.309 -0.081 10 0 BBAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])COC)C1 ZINC000389750748 488109583 /nfs/dbraw/zinc/10/95/83/488109583.db2.gz PXONHFZQBRFICD-NXEZZACHSA-N 2 1 229.324 -0.439 10 0 BBAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC)C1 ZINC000389750754 488109358 /nfs/dbraw/zinc/10/93/58/488109358.db2.gz PXONHFZQBRFICD-UWVGGRQHSA-N 2 1 229.324 -0.439 10 0 BBAEMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)C1 ZINC000389750761 488109809 /nfs/dbraw/zinc/10/98/09/488109809.db2.gz PXONHFZQBRFICD-VHSXEESVSA-N 2 1 229.324 -0.439 10 0 BBAEMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])COC)C1 ZINC000389750768 488109245 /nfs/dbraw/zinc/10/92/45/488109245.db2.gz PXONHFZQBRFICD-ZJUUUORDSA-N 2 1 229.324 -0.439 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000390312088 398169247 /nfs/dbraw/zinc/16/92/47/398169247.db2.gz GCVUWURHXPYKHW-BQBZGAKWSA-N 2 1 221.251 -0.176 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000390312092 397885234 /nfs/dbraw/zinc/88/52/34/397885234.db2.gz GCVUWURHXPYKHW-NKWVEPMBSA-N 2 1 221.251 -0.176 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000390312095 398169046 /nfs/dbraw/zinc/16/90/46/398169046.db2.gz GCVUWURHXPYKHW-RNFRBKRXSA-N 2 1 221.251 -0.176 10 0 BBAEMP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000390312096 398168950 /nfs/dbraw/zinc/16/89/50/398168950.db2.gz GCVUWURHXPYKHW-RQJHMYQMSA-N 2 1 221.251 -0.176 10 0 BBAEMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000390495676 357097008 /nfs/dbraw/zinc/09/70/08/357097008.db2.gz RUZQCJGFQYSVEP-AXFHLTTASA-N 3 1 213.325 -0.369 10 0 BBAEMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000390495678 357096548 /nfs/dbraw/zinc/09/65/48/357096548.db2.gz RUZQCJGFQYSVEP-DCAQKATOSA-N 3 1 213.325 -0.369 10 0 BBAEMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000390495680 357096828 /nfs/dbraw/zinc/09/68/28/357096828.db2.gz RUZQCJGFQYSVEP-GARJFASQSA-N 3 1 213.325 -0.369 10 0 BBAEMP [NH3+]CCOCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000390495682 357096482 /nfs/dbraw/zinc/09/64/82/357096482.db2.gz RUZQCJGFQYSVEP-HBNTYKKESA-N 3 1 213.325 -0.369 10 0 BBAEMP C[N@@H+](C[C@@H](O)C[NH2+]CC1CC(O)C1)C1CC1 ZINC000390571112 346119265 /nfs/dbraw/zinc/11/92/65/346119265.db2.gz NGXVYWKMVLOVCJ-NHNAUAITSA-N 2 1 228.336 -0.198 10 0 BBAEMP C[N@H+](C[C@@H](O)C[NH2+]CC1CC(O)C1)C1CC1 ZINC000390571112 346119262 /nfs/dbraw/zinc/11/92/62/346119262.db2.gz NGXVYWKMVLOVCJ-NHNAUAITSA-N 2 1 228.336 -0.198 10 0 BBAEMP C[N@@H+](C[C@H](O)C[NH2+]CC1CC(O)C1)C1CC1 ZINC000390571119 346119488 /nfs/dbraw/zinc/11/94/88/346119488.db2.gz NGXVYWKMVLOVCJ-QEWOUOOISA-N 2 1 228.336 -0.198 10 0 BBAEMP C[N@H+](C[C@H](O)C[NH2+]CC1CC(O)C1)C1CC1 ZINC000390571119 346119486 /nfs/dbraw/zinc/11/94/86/346119486.db2.gz NGXVYWKMVLOVCJ-QEWOUOOISA-N 2 1 228.336 -0.198 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000390627594 398177613 /nfs/dbraw/zinc/17/76/13/398177613.db2.gz KFYMQRFKFIPBJG-NEPJUHHUSA-N 2 1 229.368 -0.065 10 0 BBAEMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000390627598 397897116 /nfs/dbraw/zinc/89/71/16/397897116.db2.gz KFYMQRFKFIPBJG-NWDGAFQWSA-N 2 1 229.368 -0.065 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)C)C1 ZINC000390627604 398177989 /nfs/dbraw/zinc/17/79/89/398177989.db2.gz KFYMQRFKFIPBJG-RYUDHWBXSA-N 2 1 229.368 -0.065 10 0 BBAEMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000390627607 398177666 /nfs/dbraw/zinc/17/76/66/398177666.db2.gz KFYMQRFKFIPBJG-VXGBXAGGSA-N 2 1 229.368 -0.065 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000392843712 387294231 /nfs/dbraw/zinc/29/42/31/387294231.db2.gz AUXOPRVZUCLLRJ-SNVBAGLBSA-N 2 1 211.309 -0.028 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392843712 387294224 /nfs/dbraw/zinc/29/42/24/387294224.db2.gz AUXOPRVZUCLLRJ-SNVBAGLBSA-N 2 1 211.309 -0.028 10 0 BBAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC[NH2+]C1 ZINC000392882777 357261099 /nfs/dbraw/zinc/26/10/99/357261099.db2.gz JOCOPJHBNXAHOO-LLVKDONJSA-N 2 1 223.320 -0.026 10 0 BBAEMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC[NH2+]C1 ZINC000392882778 357260731 /nfs/dbraw/zinc/26/07/31/357260731.db2.gz JOCOPJHBNXAHOO-NSHDSACASA-N 2 1 223.320 -0.026 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392927621 387816069 /nfs/dbraw/zinc/81/60/69/387816069.db2.gz NACGRDLTKOXEOX-AXFHLTTASA-N 2 1 243.351 -0.444 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392927624 387815737 /nfs/dbraw/zinc/81/57/37/387815737.db2.gz NACGRDLTKOXEOX-GMTAPVOTSA-N 2 1 243.351 -0.444 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392927626 387816153 /nfs/dbraw/zinc/81/61/53/387816153.db2.gz NACGRDLTKOXEOX-HBNTYKKESA-N 2 1 243.351 -0.444 10 0 BBAEMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392927627 387815435 /nfs/dbraw/zinc/81/54/35/387815435.db2.gz NACGRDLTKOXEOX-MXWKQRLJSA-N 2 1 243.351 -0.444 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000394380444 487669358 /nfs/dbraw/zinc/66/93/58/487669358.db2.gz HPRZDTAJTVXNOW-GHMZBOCLSA-N 2 1 240.351 -0.900 10 0 BBAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000394380448 487669411 /nfs/dbraw/zinc/66/94/11/487669411.db2.gz HPRZDTAJTVXNOW-MNOVXSKESA-N 2 1 240.351 -0.900 10 0 BBAEMP CCO[C@@H]1C[N@@H+](CCC(=O)OC)C[C@H]1C[NH3+] ZINC000405844096 364773425 /nfs/dbraw/zinc/77/34/25/364773425.db2.gz GTIYMZWDKDEXLQ-NXEZZACHSA-N 2 1 230.308 -0.155 10 0 BBAEMP O[C@H]1C[NH2+]C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000420242745 411698040 /nfs/dbraw/zinc/69/80/40/411698040.db2.gz CEQMCBIAUICHFU-APPZFPTMSA-N 2 1 233.275 -0.050 10 0 BBAEMP O[C@H]1C[NH2+]C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000420242766 411698048 /nfs/dbraw/zinc/69/80/48/411698048.db2.gz CEQMCBIAUICHFU-CBAPKCEASA-N 2 1 233.275 -0.050 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000420242767 411139069 /nfs/dbraw/zinc/13/90/69/411139069.db2.gz CEQMCBIAUICHFU-IONNQARKSA-N 2 1 233.275 -0.050 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000420242769 411138632 /nfs/dbraw/zinc/13/86/32/411138632.db2.gz CEQMCBIAUICHFU-VXNVDRBHSA-N 2 1 233.275 -0.050 10 0 BBAEMP CCc1nc(NC[C@H]2C[NH2+]C[C@H]2O)cc(C)[nH+]1 ZINC000420246358 487710429 /nfs/dbraw/zinc/71/04/29/487710429.db2.gz GBENCIXDEHSBEW-NXEZZACHSA-N 2 1 236.319 0.340 10 0 BBAEMP CCc1nc(NC[C@@H]2C[NH2+]C[C@@H]2O)cc(C)[nH+]1 ZINC000420246359 487709597 /nfs/dbraw/zinc/70/95/97/487709597.db2.gz GBENCIXDEHSBEW-UWVGGRQHSA-N 2 1 236.319 0.340 10 0 BBAEMP CCc1nc(NC[C@@H]2C[NH2+]C[C@H]2O)cc(C)[nH+]1 ZINC000420246360 487710066 /nfs/dbraw/zinc/71/00/66/487710066.db2.gz GBENCIXDEHSBEW-VHSXEESVSA-N 2 1 236.319 0.340 10 0 BBAEMP CCc1nc(NC[C@H]2C[NH2+]C[C@@H]2O)cc(C)[nH+]1 ZINC000420246361 487709658 /nfs/dbraw/zinc/70/96/58/487709658.db2.gz GBENCIXDEHSBEW-ZJUUUORDSA-N 2 1 236.319 0.340 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000420246861 192186244 /nfs/dbraw/zinc/18/62/44/192186244.db2.gz GPDPXXOKLGNDKR-GZMMTYOYSA-N 2 1 232.287 -0.023 10 0 BBAEMP O[C@H]1C[NH2+]C[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000420246862 192185707 /nfs/dbraw/zinc/18/57/07/192185707.db2.gz GPDPXXOKLGNDKR-KCJUWKMLSA-N 2 1 232.287 -0.023 10 0 BBAEMP O[C@H]1C[NH2+]C[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000420246863 192185253 /nfs/dbraw/zinc/18/52/53/192185253.db2.gz GPDPXXOKLGNDKR-KWQFWETISA-N 2 1 232.287 -0.023 10 0 BBAEMP O[C@@H]1C[NH2+]C[C@@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000420246864 192185645 /nfs/dbraw/zinc/18/56/45/192185645.db2.gz GPDPXXOKLGNDKR-LDYMZIIASA-N 2 1 232.287 -0.023 10 0 BBAEMP Cn1c2ccccc2[nH+]c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420249130 411834147 /nfs/dbraw/zinc/83/41/47/411834147.db2.gz ISQJVTQBXNUPNB-BXKDBHETSA-N 2 1 246.314 0.566 10 0 BBAEMP Cn1c2ccccc2[nH+]c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420249135 411833230 /nfs/dbraw/zinc/83/32/30/411833230.db2.gz ISQJVTQBXNUPNB-CABZTGNLSA-N 2 1 246.314 0.566 10 0 BBAEMP Cn1c2ccccc2[nH+]c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420249136 411833851 /nfs/dbraw/zinc/83/38/51/411833851.db2.gz ISQJVTQBXNUPNB-JOYOIKCWSA-N 2 1 246.314 0.566 10 0 BBAEMP Cn1c2ccccc2[nH+]c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420249138 411833647 /nfs/dbraw/zinc/83/36/47/411833647.db2.gz ISQJVTQBXNUPNB-SKDRFNHKSA-N 2 1 246.314 0.566 10 0 BBAEMP CCc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)nc(C)[nH+]1 ZINC000420257379 411767622 /nfs/dbraw/zinc/76/76/22/411767622.db2.gz WEUNWWAXCUMCGZ-GXSJLCMTSA-N 2 1 236.319 0.340 10 0 BBAEMP CCc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)nc(C)[nH+]1 ZINC000420257380 411768449 /nfs/dbraw/zinc/76/84/49/411768449.db2.gz WEUNWWAXCUMCGZ-KOLCDFICSA-N 2 1 236.319 0.340 10 0 BBAEMP CCc1cc(NC[C@H]2C[NH2+]C[C@H]2O)nc(C)[nH+]1 ZINC000420257381 411767675 /nfs/dbraw/zinc/76/76/75/411767675.db2.gz WEUNWWAXCUMCGZ-MWLCHTKSSA-N 2 1 236.319 0.340 10 0 BBAEMP CCc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)nc(C)[nH+]1 ZINC000420257382 411769077 /nfs/dbraw/zinc/76/90/77/411769077.db2.gz WEUNWWAXCUMCGZ-ONGXEEELSA-N 2 1 236.319 0.340 10 0 BBAEMP c1cc2c(nc[nH+]c2NC[C@H]2C[NH2+]CCO2)[nH]1 ZINC000420283682 411702344 /nfs/dbraw/zinc/70/23/44/411702344.db2.gz NRVYXASKDIKQLQ-MRVPVSSYSA-N 2 1 233.275 0.358 10 0 BBAEMP c1cc2c(nc[nH+]c2NC[C@@H]2C[NH2+]CCO2)[nH]1 ZINC000420283684 411703052 /nfs/dbraw/zinc/70/30/52/411703052.db2.gz NRVYXASKDIKQLQ-QMMMGPOBSA-N 2 1 233.275 0.358 10 0 BBAEMP COC[C@H]1CCC[N@H+]1C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514288020 384402607 /nfs/dbraw/zinc/40/26/07/384402607.db2.gz LLOHNXGWIJEZJT-VPOLOUISSA-N 2 1 230.308 -0.816 10 0 biogenic,in-vitro BBAEMP CCCC[N@@H+](C)C[C@@H]1OC[C@H]([NH3+])[C@H]1O ZINC000514288037 384403832 /nfs/dbraw/zinc/40/38/32/384403832.db2.gz VZDWHAQZFONNQU-LPEHRKFASA-N 2 1 202.298 -0.195 10 0 biogenic,in-vitro BBAEMP CN1CCC[C@H]([NH2+]C2CC[NH2+]CC2)C1=O ZINC000527531490 262854147 /nfs/dbraw/zinc/85/41/47/262854147.db2.gz FISMSCKMYWCBAV-JTQLQIEISA-N 2 1 211.309 -0.051 10 0 BBAEMP CN1CCC[C@@H]([NH2+]C2CC[NH2+]CC2)C1=O ZINC000527531494 387601466 /nfs/dbraw/zinc/60/14/66/387601466.db2.gz FISMSCKMYWCBAV-SNVBAGLBSA-N 2 1 211.309 -0.051 10 0 BBAEMP OC[C@@H]1C[C@H](O)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000563135158 323094550 /nfs/dbraw/zinc/09/45/50/323094550.db2.gz IGCKIBSHNUHSGA-DCAQKATOSA-N 2 1 214.309 -0.587 10 0 BBAEMP OC[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000563135160 323094620 /nfs/dbraw/zinc/09/46/20/323094620.db2.gz IGCKIBSHNUHSGA-VWYCJHECSA-N 2 1 214.309 -0.587 10 0 BBAEMP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000568634281 326369737 /nfs/dbraw/zinc/36/97/37/326369737.db2.gz PJCAEXAZGDFWFX-NEPJUHHUSA-N 2 1 227.352 -0.012 10 0 BBAEMP C[C@H]1CN(CCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000568634288 326369769 /nfs/dbraw/zinc/36/97/69/326369769.db2.gz PJCAEXAZGDFWFX-NWDGAFQWSA-N 2 1 227.352 -0.012 10 0 BBAEMP C[C@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000568634290 326369692 /nfs/dbraw/zinc/36/96/92/326369692.db2.gz PJCAEXAZGDFWFX-RYUDHWBXSA-N 2 1 227.352 -0.012 10 0 BBAEMP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000569257210 326398189 /nfs/dbraw/zinc/39/81/89/326398189.db2.gz YHVUNUZNDRTCDN-NEPJUHHUSA-N 2 1 239.319 -0.220 10 0 BBAEMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000569257210 326398187 /nfs/dbraw/zinc/39/81/87/326398187.db2.gz YHVUNUZNDRTCDN-NEPJUHHUSA-N 2 1 239.319 -0.220 10 0 BBAEMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000569257213 326398218 /nfs/dbraw/zinc/39/82/18/326398218.db2.gz YHVUNUZNDRTCDN-VXGBXAGGSA-N 2 1 239.319 -0.220 10 0 BBAEMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000569257213 326398217 /nfs/dbraw/zinc/39/82/17/326398217.db2.gz YHVUNUZNDRTCDN-VXGBXAGGSA-N 2 1 239.319 -0.220 10 0 BBAEMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000569471354 322967231 /nfs/dbraw/zinc/96/72/31/322967231.db2.gz KDMLILUMZMQIHC-HBNTYKKESA-N 2 1 216.325 -0.198 10 0 BBAEMP O[C@]1(C[NH+]2CCSCC2)CC[NH2+]C1 ZINC000575464619 388832806 /nfs/dbraw/zinc/83/28/06/388832806.db2.gz VIUNDPXBJUAYES-SECBINFHSA-N 2 1 202.323 -0.240 10 0 BBAEMP O[C@@]1(C[NH+]2CCSCC2)CC[NH2+]C1 ZINC000575464626 388833581 /nfs/dbraw/zinc/83/35/81/388833581.db2.gz VIUNDPXBJUAYES-VIFPVBQESA-N 2 1 202.323 -0.240 10 0 BBAEMP [NH3+][C@H]1C[C@H](C[NH+]2CCS(=O)CC2)C1 ZINC000575483318 387201520 /nfs/dbraw/zinc/20/15/20/387201520.db2.gz FPWRAVJAFSDCQB-KYZUINATSA-N 2 1 202.323 -0.212 10 0 BBAEMP C[NH2+][C@]1(C[NH3+])CCCS(=O)(=O)CC1 ZINC000575488481 388881008 /nfs/dbraw/zinc/88/10/08/388881008.db2.gz SKWAILWJLWBWJR-MRVPVSSYSA-N 2 1 206.311 -0.498 10 0 BBAEMP C[NH2+][C@@]1(C[NH3+])CCCS(=O)(=O)CC1 ZINC000575488486 388880538 /nfs/dbraw/zinc/88/05/38/388880538.db2.gz SKWAILWJLWBWJR-QMMMGPOBSA-N 2 1 206.311 -0.498 10 0 BBAEMP [NH3+][C@H]1C[C@@H](C[NH+]2CCS(=O)CC2)C1 ZINC000575497206 388978907 /nfs/dbraw/zinc/97/89/07/388978907.db2.gz FPWRAVJAFSDCQB-DTORHVGOSA-N 2 1 202.323 -0.212 10 0 BBAEMP [NH3+]C1CC(C[NH+]2CCS(=O)CC2)C1 ZINC000575520713 388357008 /nfs/dbraw/zinc/35/70/08/388357008.db2.gz FPWRAVJAFSDCQB-UHFFFAOYSA-N 2 1 202.323 -0.212 10 0 BBAEMP C1=[NH+]CCN1CCNCCN1C=[NH+]CC1 ZINC000584599623 387501570 /nfs/dbraw/zinc/50/15/70/387501570.db2.gz GDZRBRIRUCKLAA-UHFFFAOYSA-N 2 1 209.297 -0.736 10 0 BBAEMP C1OCC1[NH+]1CCC(N2CC3(C[NH2+]C3)C2)CC1 ZINC000584623836 387502576 /nfs/dbraw/zinc/50/25/76/387502576.db2.gz SYLYSTNNHOIOPD-UHFFFAOYSA-N 2 1 237.347 -0.245 10 0 BBAEMP CNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC000584904561 412320099 /nfs/dbraw/zinc/32/00/99/412320099.db2.gz WBMFYVGDMMKWPE-UHFFFAOYSA-N 2 1 207.281 0.446 10 0 BBAEMP C[NH2+]CCOCC[N@@H+](C)CCC(=O)OC ZINC000600730152 344363981 /nfs/dbraw/zinc/36/39/81/344363981.db2.gz YKRWFUZNIOQXNG-UHFFFAOYSA-N 2 1 218.297 -0.283 10 0 BBAEMP COC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000600739340 344366394 /nfs/dbraw/zinc/36/63/94/344366394.db2.gz BJRDKOZMZAUIAE-UHFFFAOYSA-N 2 1 204.270 -0.543 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325633 384748463 /nfs/dbraw/zinc/74/84/63/384748463.db2.gz DUBVETIMGTWAQL-CIUDSAMLSA-N 2 1 242.323 -0.643 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325633 384748457 /nfs/dbraw/zinc/74/84/57/384748457.db2.gz DUBVETIMGTWAQL-CIUDSAMLSA-N 2 1 242.323 -0.643 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325635 384747610 /nfs/dbraw/zinc/74/76/10/384747610.db2.gz DUBVETIMGTWAQL-VGMNWLOBSA-N 2 1 242.323 -0.643 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325635 384747601 /nfs/dbraw/zinc/74/76/01/384747601.db2.gz DUBVETIMGTWAQL-VGMNWLOBSA-N 2 1 242.323 -0.643 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325636 384747633 /nfs/dbraw/zinc/74/76/33/384747633.db2.gz DUBVETIMGTWAQL-XHNCKOQMSA-N 2 1 242.323 -0.643 10 0 BBAEMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325636 384747626 /nfs/dbraw/zinc/74/76/26/384747626.db2.gz DUBVETIMGTWAQL-XHNCKOQMSA-N 2 1 242.323 -0.643 10 0 BBAEMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326322 347209152 /nfs/dbraw/zinc/20/91/52/347209152.db2.gz MDLFOMVVOOQMPQ-BDAKNGLRSA-N 2 1 242.323 -0.641 10 0 BBAEMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326322 347209149 /nfs/dbraw/zinc/20/91/49/347209149.db2.gz MDLFOMVVOOQMPQ-BDAKNGLRSA-N 2 1 242.323 -0.641 10 0 BBAEMP CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326324 347209166 /nfs/dbraw/zinc/20/91/66/347209166.db2.gz MDLFOMVVOOQMPQ-DTWKUNHWSA-N 2 1 242.323 -0.641 10 0 BBAEMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326324 347209162 /nfs/dbraw/zinc/20/91/62/347209162.db2.gz MDLFOMVVOOQMPQ-DTWKUNHWSA-N 2 1 242.323 -0.641 10 0 BBAEMP CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326326 347209096 /nfs/dbraw/zinc/20/90/96/347209096.db2.gz MDLFOMVVOOQMPQ-IUCAKERBSA-N 2 1 242.323 -0.641 10 0 BBAEMP CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326326 347209095 /nfs/dbraw/zinc/20/90/95/347209095.db2.gz MDLFOMVVOOQMPQ-IUCAKERBSA-N 2 1 242.323 -0.641 10 0 BBAEMP COC(=O)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328458 347215800 /nfs/dbraw/zinc/21/58/00/347215800.db2.gz QCQDYPJOBUSBGY-UHFFFAOYSA-N 2 1 230.308 -0.404 10 0 BBAEMP C[NH+]1CCN([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616576798 349103415 /nfs/dbraw/zinc/10/34/15/349103415.db2.gz BIPRZJHZDPVOJO-QWRGUYRKSA-N 2 1 213.325 -0.653 10 0 BBAEMP CN1CCC[N@H+]([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616577230 349123034 /nfs/dbraw/zinc/12/30/34/349123034.db2.gz FOPLPHOASOVPKH-RYUDHWBXSA-N 2 1 227.352 -0.263 10 0 BBAEMP CN1CCC[N@@H+]([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616577230 349123031 /nfs/dbraw/zinc/12/30/31/349123031.db2.gz FOPLPHOASOVPKH-RYUDHWBXSA-N 2 1 227.352 -0.263 10 0 BBAEMP C[N@H+]1CCCN([C@H]2CC[NH2+]CC[C@@H]2O)CC1 ZINC000616577230 349123027 /nfs/dbraw/zinc/12/30/27/349123027.db2.gz FOPLPHOASOVPKH-RYUDHWBXSA-N 2 1 227.352 -0.263 10 0 BBAEMP [NH3+]CCN1CC[NH2+][C@H](c2ccncn2)C1 ZINC000616633495 351115115 /nfs/dbraw/zinc/11/51/15/351115115.db2.gz BKXXZRFROSAPJG-JTQLQIEISA-N 2 1 207.281 -0.618 10 0 BBAEMP [NH3+]CCN1CC[NH2+][C@H](c2cccnn2)C1 ZINC000616633887 351116347 /nfs/dbraw/zinc/11/63/47/351116347.db2.gz GCZVQRKMJPEXDP-JTQLQIEISA-N 2 1 207.281 -0.618 10 0 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C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000631844037 372643021 /nfs/dbraw/zinc/64/30/21/372643021.db2.gz USVGFNUATSPXSU-DTWKUNHWSA-N 2 1 211.309 -0.208 10 0 BBAEMP C[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C[NH3+] ZINC000631844037 372643016 /nfs/dbraw/zinc/64/30/16/372643016.db2.gz USVGFNUATSPXSU-DTWKUNHWSA-N 2 1 211.309 -0.208 10 0 BBAEMP C[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000631844038 372642825 /nfs/dbraw/zinc/64/28/25/372642825.db2.gz USVGFNUATSPXSU-IUCAKERBSA-N 2 1 211.309 -0.208 10 0 BBAEMP C[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1C[NH3+] ZINC000631844038 372642817 /nfs/dbraw/zinc/64/28/17/372642817.db2.gz USVGFNUATSPXSU-IUCAKERBSA-N 2 1 211.309 -0.208 10 0 BBAEMP C[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000631844887 372643664 /nfs/dbraw/zinc/64/36/64/372643664.db2.gz OPHNMBPYCZLGFZ-MNOVXSKESA-N 2 1 241.335 -0.628 10 0 BBAEMP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000631844887 372643659 /nfs/dbraw/zinc/64/36/59/372643659.db2.gz OPHNMBPYCZLGFZ-MNOVXSKESA-N 2 1 241.335 -0.628 10 0 BBAEMP C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000631844888 372642860 /nfs/dbraw/zinc/64/28/60/372642860.db2.gz OPHNMBPYCZLGFZ-QWRGUYRKSA-N 2 1 241.335 -0.628 10 0 BBAEMP C[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1C[NH3+] ZINC000631844888 372642854 /nfs/dbraw/zinc/64/28/54/372642854.db2.gz OPHNMBPYCZLGFZ-QWRGUYRKSA-N 2 1 241.335 -0.628 10 0 BBAEMP C[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631844889 372643463 /nfs/dbraw/zinc/64/34/63/372643463.db2.gz OPHNMBPYCZLGFZ-WDEREUQCSA-N 2 1 241.335 -0.628 10 0 BBAEMP C[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C[NH3+] ZINC000631844889 372643457 /nfs/dbraw/zinc/64/34/57/372643457.db2.gz OPHNMBPYCZLGFZ-WDEREUQCSA-N 2 1 241.335 -0.628 10 0 BBAEMP CN(C)c1nc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc[nH+]1 ZINC000634811238 344395979 /nfs/dbraw/zinc/39/59/79/344395979.db2.gz YINSQLFSJXOKHH-VHSXEESVSA-N 2 1 249.318 -0.280 10 0 BBAEMP C[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000634998368 345198568 /nfs/dbraw/zinc/19/85/68/345198568.db2.gz DWLQUWSPAWAZHO-BDAKNGLRSA-N 2 1 209.297 -0.158 10 0 BBAEMP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000634998368 345198565 /nfs/dbraw/zinc/19/85/65/345198565.db2.gz DWLQUWSPAWAZHO-BDAKNGLRSA-N 2 1 209.297 -0.158 10 0 BBAEMP C[C@H]1C[N@@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000634998370 345198452 /nfs/dbraw/zinc/19/84/52/345198452.db2.gz DWLQUWSPAWAZHO-IUCAKERBSA-N 2 1 209.297 -0.158 10 0 BBAEMP C[C@H]1C[N@H+](Cc2cnnn2C)C[C@@H]1C[NH3+] ZINC000634998370 345198451 /nfs/dbraw/zinc/19/84/51/345198451.db2.gz DWLQUWSPAWAZHO-IUCAKERBSA-N 2 1 209.297 -0.158 10 0 BBAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638081351 351957374 /nfs/dbraw/zinc/95/73/74/351957374.db2.gz YKZPCLCALXGYNC-GARJFASQSA-N 2 1 241.335 -0.297 10 0 BBAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638081352 351957291 /nfs/dbraw/zinc/95/72/91/351957291.db2.gz YKZPCLCALXGYNC-OUAUKWLOSA-N 2 1 241.335 -0.297 10 0 BBAEMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638107697 351985044 /nfs/dbraw/zinc/98/50/44/351985044.db2.gz IXJNJRMTNGQJEB-AXFHLTTASA-N 2 1 239.319 -0.591 10 0 BBAEMP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638107698 351984425 /nfs/dbraw/zinc/98/44/25/351984425.db2.gz IXJNJRMTNGQJEB-MXWKQRLJSA-N 2 1 239.319 -0.591 10 0 BBAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638529084 352362294 /nfs/dbraw/zinc/36/22/94/352362294.db2.gz ZISXVLWYVUHUMN-GHMZBOCLSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638529085 352361842 /nfs/dbraw/zinc/36/18/42/352361842.db2.gz ZISXVLWYVUHUMN-WDEREUQCSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638729338 386649163 /nfs/dbraw/zinc/64/91/63/386649163.db2.gz ZISXVLWYVUHUMN-MNOVXSKESA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000638729339 386649011 /nfs/dbraw/zinc/64/90/11/386649011.db2.gz ZISXVLWYVUHUMN-QWRGUYRKSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000643767965 385048939 /nfs/dbraw/zinc/04/89/39/385048939.db2.gz KCZWORZKHYCGFX-LLVKDONJSA-N 2 1 241.335 -0.614 10 0 BBAEMP C[N@H+]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643767966 385050832 /nfs/dbraw/zinc/05/08/32/385050832.db2.gz KCZWORZKHYCGFX-NSHDSACASA-N 2 1 241.335 -0.614 10 0 BBAEMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000645684896 387269570 /nfs/dbraw/zinc/26/95/70/387269570.db2.gz LYEPAZVCWNHYBG-LPEHRKFASA-N 2 1 229.299 -0.103 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]12 ZINC000647908180 386740886 /nfs/dbraw/zinc/74/08/86/386740886.db2.gz DKUOSTFAIBELMB-KYXWUPHJSA-N 2 1 209.293 -0.456 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]12 ZINC000647908181 386740752 /nfs/dbraw/zinc/74/07/52/386740752.db2.gz DKUOSTFAIBELMB-RGOKHQFPSA-N 2 1 209.293 -0.456 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]12 ZINC000647908182 386741288 /nfs/dbraw/zinc/74/12/88/386741288.db2.gz DKUOSTFAIBELMB-UTINFBMNSA-N 2 1 209.293 -0.456 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]12 ZINC000647908183 386742010 /nfs/dbraw/zinc/74/20/10/386742010.db2.gz DKUOSTFAIBELMB-ZYUZMQFOSA-N 2 1 209.293 -0.456 10 0 BBAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](O)C[C@@H]1CO ZINC000647971740 386510751 /nfs/dbraw/zinc/51/07/51/386510751.db2.gz VINHKIMBEVZPCQ-UTUOFQBUSA-N 2 1 246.351 -0.885 10 0 BBAEMP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](O)C[C@@H]1CO ZINC000647971741 386509696 /nfs/dbraw/zinc/50/96/96/386509696.db2.gz VINHKIMBEVZPCQ-WOPDTQHZSA-N 2 1 246.351 -0.885 10 0 BBAEMP CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649275653 388493063 /nfs/dbraw/zinc/49/30/63/388493063.db2.gz YDDOWFCHDMYKFG-LLVKDONJSA-N 2 1 241.335 -0.614 10 0 BBAEMP CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649275654 388492560 /nfs/dbraw/zinc/49/25/60/388492560.db2.gz YDDOWFCHDMYKFG-NSHDSACASA-N 2 1 241.335 -0.614 10 0 BBAEMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649298075 388576621 /nfs/dbraw/zinc/57/66/21/388576621.db2.gz OSVZIXHSWPPHQI-GHMZBOCLSA-N 2 1 241.335 -0.710 10 0 BBAEMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649298076 388576966 /nfs/dbraw/zinc/57/69/66/388576966.db2.gz OSVZIXHSWPPHQI-MNOVXSKESA-N 2 1 241.335 -0.710 10 0 BBAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649298077 388576487 /nfs/dbraw/zinc/57/64/87/388576487.db2.gz OSVZIXHSWPPHQI-QWRGUYRKSA-N 2 1 241.335 -0.710 10 0 BBAEMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649298078 388576804 /nfs/dbraw/zinc/57/68/04/388576804.db2.gz OSVZIXHSWPPHQI-WDEREUQCSA-N 2 1 241.335 -0.710 10 0 BBAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304913 388589264 /nfs/dbraw/zinc/58/92/64/388589264.db2.gz MMZUMRZJSHBQEK-GHMZBOCLSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000649304914 388589158 /nfs/dbraw/zinc/58/91/58/388589158.db2.gz MMZUMRZJSHBQEK-MNOVXSKESA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304915 388589013 /nfs/dbraw/zinc/58/90/13/388589013.db2.gz MMZUMRZJSHBQEK-QWRGUYRKSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000649304916 388589471 /nfs/dbraw/zinc/58/94/71/388589471.db2.gz MMZUMRZJSHBQEK-WDEREUQCSA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@@H+](CCNC(=O)[C@H]1C[NH2+]CCOC1)C1CC1 ZINC000649307800 388593538 /nfs/dbraw/zinc/59/35/38/388593538.db2.gz MMZNMZBUYAENOO-JTQLQIEISA-N 2 1 241.335 -0.567 10 0 BBAEMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]CCOC1)C1CC1 ZINC000649307801 388593662 /nfs/dbraw/zinc/59/36/62/388593662.db2.gz MMZNMZBUYAENOO-SNVBAGLBSA-N 2 1 241.335 -0.567 10 0 BBAEMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649318404 398142829 /nfs/dbraw/zinc/14/28/29/398142829.db2.gz GPARZPKILCWJQE-LLVKDONJSA-N 2 1 243.351 -0.321 10 0 BBAEMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649318405 398142551 /nfs/dbraw/zinc/14/25/51/398142551.db2.gz GPARZPKILCWJQE-NSHDSACASA-N 2 1 243.351 -0.321 10 0 BBAEMP C[C@H](CCNC(=O)[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000662858915 412327179 /nfs/dbraw/zinc/32/71/79/412327179.db2.gz JWPZPQLFOBZGAV-NXEZZACHSA-N 2 1 229.324 -0.569 10 0 BBAEMP C[C@@H](CCNC(=O)[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000662858916 412327303 /nfs/dbraw/zinc/32/73/03/412327303.db2.gz JWPZPQLFOBZGAV-UWVGGRQHSA-N 2 1 229.324 -0.569 10 0 BBAEMP C[C@@H](CCNC(=O)[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000662858917 412326842 /nfs/dbraw/zinc/32/68/42/412326842.db2.gz JWPZPQLFOBZGAV-VHSXEESVSA-N 2 1 229.324 -0.569 10 0 BBAEMP C[C@H](CCNC(=O)[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000662858918 412327291 /nfs/dbraw/zinc/32/72/91/412327291.db2.gz JWPZPQLFOBZGAV-ZJUUUORDSA-N 2 1 229.324 -0.569 10 0 BBAEMP C[NH2+]C[C@H](C)[NH+]=c1cc[nH]cc1C(N)=O ZINC000663278216 412407235 /nfs/dbraw/zinc/40/72/35/412407235.db2.gz DNOVQQNFMBSSLA-ZETCQYMHSA-N 2 1 208.265 -0.378 10 0 BBAEMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(CO)C1)C1CC1 ZINC000663374626 411641231 /nfs/dbraw/zinc/64/12/31/411641231.db2.gz MFJZFDRXZOXKSQ-CBINBANVSA-N 2 1 228.336 -0.198 10 0 BBAEMP C[N@H+](C[C@@H](O)C[NH2+]C1CC(CO)C1)C1CC1 ZINC000663374626 411641230 /nfs/dbraw/zinc/64/12/30/411641230.db2.gz MFJZFDRXZOXKSQ-CBINBANVSA-N 2 1 228.336 -0.198 10 0 BBAEMP C[N@@H+](C[C@H](O)C[NH2+]C1CC(CO)C1)C1CC1 ZINC000663374628 411640664 /nfs/dbraw/zinc/64/06/64/411640664.db2.gz MFJZFDRXZOXKSQ-RTYFJBAXSA-N 2 1 228.336 -0.198 10 0 BBAEMP C[N@H+](C[C@H](O)C[NH2+]C1CC(CO)C1)C1CC1 ZINC000663374628 411640660 /nfs/dbraw/zinc/64/06/60/411640660.db2.gz MFJZFDRXZOXKSQ-RTYFJBAXSA-N 2 1 228.336 -0.198 10 0 BBAEMP CN(CCC[NH2+][C@@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000665230587 412167242 /nfs/dbraw/zinc/16/72/42/412167242.db2.gz RIZKGCNMGVZSFB-SECBINFHSA-N 2 1 235.353 -0.781 10 0 BBAEMP CN(CCC[NH2+][C@H]1CC[NH2+]C1)S(C)(=O)=O ZINC000665230588 412168551 /nfs/dbraw/zinc/16/85/51/412168551.db2.gz RIZKGCNMGVZSFB-VIFPVBQESA-N 2 1 235.353 -0.781 10 0 BBAEMP COC[C@@H](CC[NH2+][C@@H]1CC[NH2+]C1)OC ZINC000665235664 412173438 /nfs/dbraw/zinc/17/34/38/412173438.db2.gz YGVFDFUFTCOGTF-NXEZZACHSA-N 2 1 202.298 -0.011 10 0 BBAEMP COC[C@H](CC[NH2+][C@H]1CC[NH2+]C1)OC ZINC000665235665 412174398 /nfs/dbraw/zinc/17/43/98/412174398.db2.gz YGVFDFUFTCOGTF-UWVGGRQHSA-N 2 1 202.298 -0.011 10 0 BBAEMP COC[C@@H](CC[NH2+][C@H]1CC[NH2+]C1)OC ZINC000665235666 412173982 /nfs/dbraw/zinc/17/39/82/412173982.db2.gz YGVFDFUFTCOGTF-VHSXEESVSA-N 2 1 202.298 -0.011 10 0 BBAEMP COC[C@H](CC[NH2+][C@@H]1CC[NH2+]C1)OC ZINC000665235667 412173670 /nfs/dbraw/zinc/17/36/70/412173670.db2.gz YGVFDFUFTCOGTF-ZJUUUORDSA-N 2 1 202.298 -0.011 10 0 BBAEMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](CCO)CC1 ZINC000674878404 487640823 /nfs/dbraw/zinc/64/08/23/487640823.db2.gz KHCNUFWBSBIZJT-AAEUAGOBSA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CCO)CC1 ZINC000674878404 487640821 /nfs/dbraw/zinc/64/08/21/487640821.db2.gz KHCNUFWBSBIZJT-AAEUAGOBSA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](CCO)CC1 ZINC000674878405 487640871 /nfs/dbraw/zinc/64/08/71/487640871.db2.gz KHCNUFWBSBIZJT-DGCLKSJQSA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CCO)CC1 ZINC000674878405 487640868 /nfs/dbraw/zinc/64/08/68/487640868.db2.gz KHCNUFWBSBIZJT-DGCLKSJQSA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](CCO)CC1 ZINC000674878406 487640414 /nfs/dbraw/zinc/64/04/14/487640414.db2.gz KHCNUFWBSBIZJT-WCQYABFASA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CCO)CC1 ZINC000674878406 487640412 /nfs/dbraw/zinc/64/04/12/487640412.db2.gz KHCNUFWBSBIZJT-WCQYABFASA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](CCO)CC1 ZINC000674878407 487640762 /nfs/dbraw/zinc/64/07/62/487640762.db2.gz KHCNUFWBSBIZJT-YPMHNXCESA-N 2 1 241.379 -0.017 10 0 BBAEMP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CCO)CC1 ZINC000674878407 487640760 /nfs/dbraw/zinc/64/07/60/487640760.db2.gz KHCNUFWBSBIZJT-YPMHNXCESA-N 2 1 241.379 -0.017 10 0 BBAEMP COCC[NH2+]C[C@@]12C[C@]1(C(=O)OC)C[NH2+]C2 ZINC000675072629 538503420 /nfs/dbraw/zinc/50/34/20/538503420.db2.gz BEDBVZIVTUTONW-GHMZBOCLSA-N 2 1 228.292 -0.625 10 0 BBAEMP COCC[NH2+]C[C@]12C[C@@]1(C(=O)OC)C[NH2+]C2 ZINC000675072631 538503526 /nfs/dbraw/zinc/50/35/26/538503526.db2.gz BEDBVZIVTUTONW-QWRGUYRKSA-N 2 1 228.292 -0.625 10 0 BBAEMP C[C@@H](O)C[N@@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075055 538508052 /nfs/dbraw/zinc/50/80/52/538508052.db2.gz FQKAMAQHQQCHAM-BDAKNGLRSA-N 2 1 228.292 -0.796 10 0 BBAEMP C[C@H](O)C[N@@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075056 538507934 /nfs/dbraw/zinc/50/79/34/538507934.db2.gz FQKAMAQHQQCHAM-DTWKUNHWSA-N 2 1 228.292 -0.796 10 0 BBAEMP C[C@H](O)C[N@@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075057 538507901 /nfs/dbraw/zinc/50/79/01/538507901.db2.gz FQKAMAQHQQCHAM-IUCAKERBSA-N 2 1 228.292 -0.796 10 0 BBAEMP C[C@@H](O)C[N@@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075058 538507811 /nfs/dbraw/zinc/50/78/11/538507811.db2.gz FQKAMAQHQQCHAM-RKDXNWHRSA-N 2 1 228.292 -0.796 10 0 BBAEMP O=C1CC2(C[NH2+]C2)[C@@H](C[N@@H+]2CC[C@@H](CO)C2)O1 ZINC000675075063 538507927 /nfs/dbraw/zinc/50/79/27/538507927.db2.gz FTMIJNAXFMZNJG-NXEZZACHSA-N 2 1 240.303 -0.794 10 0 BBAEMP O=C1CC2(C[NH2+]C2)[C@H](C[N@@H+]2CC[C@H](CO)C2)O1 ZINC000675075064 538507803 /nfs/dbraw/zinc/50/78/03/538507803.db2.gz FTMIJNAXFMZNJG-UWVGGRQHSA-N 2 1 240.303 -0.794 10 0 BBAEMP O=C1CC2(C[NH2+]C2)[C@@H](C[N@@H+]2CC[C@H](CO)C2)O1 ZINC000675075065 538507957 /nfs/dbraw/zinc/50/79/57/538507957.db2.gz FTMIJNAXFMZNJG-VHSXEESVSA-N 2 1 240.303 -0.794 10 0 BBAEMP O=C1CC2(C[NH2+]C2)[C@H](C[N@@H+]2CC[C@@H](CO)C2)O1 ZINC000675075066 538507982 /nfs/dbraw/zinc/50/79/82/538507982.db2.gz FTMIJNAXFMZNJG-ZJUUUORDSA-N 2 1 240.303 -0.794 10 0 BBAEMP COCC[N@@H+](C)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075096 538508136 /nfs/dbraw/zinc/50/81/36/538508136.db2.gz GNBIHBMBAGMMIP-SECBINFHSA-N 2 1 228.292 -0.530 10 0 BBAEMP COCC[N@@H+](C)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075103 538508291 /nfs/dbraw/zinc/50/82/91/538508291.db2.gz GNBIHBMBAGMMIP-VIFPVBQESA-N 2 1 228.292 -0.530 10 0 BBAEMP CC[N@@H+](CCO)C[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075324 538509070 /nfs/dbraw/zinc/50/90/70/538509070.db2.gz MBGITRGPBBYZER-SECBINFHSA-N 2 1 228.292 -0.794 10 0 BBAEMP CC[N@@H+](CCO)C[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000675075325 538508873 /nfs/dbraw/zinc/50/88/73/538508873.db2.gz MBGITRGPBBYZER-VIFPVBQESA-N 2 1 228.292 -0.794 10 0 BBAEMP Nc1cc[nH+]cc1CC1=C[C@H]([NH3+])CNC1 ZINC000675076625 538511068 /nfs/dbraw/zinc/51/10/68/538511068.db2.gz FFCDPWUQTPKUCG-JTQLQIEISA-N 2 1 204.277 -0.106 10 0 BBAEMP Nc1cc[nH+]cc1CC1=C[C@@H]([NH3+])CNC1 ZINC000675076626 537891998 /nfs/dbraw/zinc/89/19/98/537891998.db2.gz FFCDPWUQTPKUCG-SNVBAGLBSA-N 2 1 204.277 -0.106 10 0 BBAEMP CCOC(=O)[C@H]1C[NH2+]C[C@@H]1C[NH+](C)C ZINC000685939192 538886278 /nfs/dbraw/zinc/88/62/78/538886278.db2.gz UCRDOQJSVLYLGJ-BDAKNGLRSA-N 2 1 200.282 -0.053 10 0 BBAEMP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C[NH+](C)C ZINC000685939193 538886282 /nfs/dbraw/zinc/88/62/82/538886282.db2.gz UCRDOQJSVLYLGJ-DTWKUNHWSA-N 2 1 200.282 -0.053 10 0 BBAEMP CCOC(=O)[C@H]1C[NH2+]C[C@H]1C[NH+](C)C ZINC000685939194 538886549 /nfs/dbraw/zinc/88/65/49/538886549.db2.gz UCRDOQJSVLYLGJ-IUCAKERBSA-N 2 1 200.282 -0.053 10 0 BBAEMP CCOC(=O)[C@@H]1C[NH2+]C[C@@H]1C[NH+](C)C ZINC000685939195 538886175 /nfs/dbraw/zinc/88/61/75/538886175.db2.gz UCRDOQJSVLYLGJ-RKDXNWHRSA-N 2 1 200.282 -0.053 10 0 BBAEMP C[NH+]1CCN([C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948553 538890949 /nfs/dbraw/zinc/89/09/49/538890949.db2.gz QGDQRFFILNFITK-NXEZZACHSA-N 2 1 201.289 -0.066 10 0 BBAEMP C[NH+]1CCN([C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948557 538891432 /nfs/dbraw/zinc/89/14/32/538891432.db2.gz QGDQRFFILNFITK-UWVGGRQHSA-N 2 1 201.289 -0.066 10 0 BBAEMP C[NH+]1CCN([C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948559 538891285 /nfs/dbraw/zinc/89/12/85/538891285.db2.gz QGDQRFFILNFITK-VHSXEESVSA-N 2 1 201.289 -0.066 10 0 BBAEMP C[NH+]1CCN([C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948561 538890886 /nfs/dbraw/zinc/89/08/86/538890886.db2.gz QGDQRFFILNFITK-ZJUUUORDSA-N 2 1 201.289 -0.066 10 0 BBAEMP C[N@@H+](C[C@@H](O)Cn1cnc(N)c1)C1CC1 ZINC000685964182 538910964 /nfs/dbraw/zinc/91/09/64/538910964.db2.gz INIDDJIUGLQPIM-SECBINFHSA-N 2 1 210.281 -0.080 10 0 BBAEMP C[N@@H+](C[C@H](O)Cn1cnc(N)c1)C1CC1 ZINC000685964183 538910958 /nfs/dbraw/zinc/91/09/58/538910958.db2.gz INIDDJIUGLQPIM-VIFPVBQESA-N 2 1 210.281 -0.080 10 0 BBAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342423 712045933 /nfs/dbraw/zinc/04/59/33/712045933.db2.gz NCSSWVQSQNSOND-MNOVXSKESA-N 2 1 242.367 -0.524 10 0 BBAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000702342424 712046061 /nfs/dbraw/zinc/04/60/61/712046061.db2.gz NCSSWVQSQNSOND-QWRGUYRKSA-N 2 1 242.367 -0.524 10 0 BBAEMP C[N@@H+](C[C@@H](O)Cn1cc[nH+]c1N)C1CC1 ZINC000702470724 582926659 /nfs/dbraw/zinc/92/66/59/582926659.db2.gz DUDOYPFQKPINNI-SECBINFHSA-N 2 1 210.281 -0.080 10 0 BBAEMP C[N@@H+](C[C@H](O)Cn1cc[nH+]c1N)C1CC1 ZINC000702470725 582926516 /nfs/dbraw/zinc/92/65/16/582926516.db2.gz DUDOYPFQKPINNI-VIFPVBQESA-N 2 1 210.281 -0.080 10 0 BBAEMP NC(=O)[C@H]([NH3+])CCn1cc[nH+]c1C1CC1 ZINC000704211096 582941603 /nfs/dbraw/zinc/94/16/03/582941603.db2.gz CFBPJQFUXWPBMK-MRVPVSSYSA-N 2 1 208.265 -0.037 10 0 BBAEMP NC(=O)[C@@H]([NH3+])CCn1cc[nH+]c1C1CC1 ZINC000704211098 582941563 /nfs/dbraw/zinc/94/15/63/582941563.db2.gz CFBPJQFUXWPBMK-QMMMGPOBSA-N 2 1 208.265 -0.037 10 0 BBAEMP C[NH2+][C@H](Cn1cc[nH+]c1C1CC1)C(N)=O ZINC000704213727 582941422 /nfs/dbraw/zinc/94/14/22/582941422.db2.gz QRIXTNYEYGULJO-MRVPVSSYSA-N 2 1 208.265 -0.166 10 0 BBAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C1CC1)C(N)=O ZINC000704213732 582941820 /nfs/dbraw/zinc/94/18/20/582941820.db2.gz QRIXTNYEYGULJO-QMMMGPOBSA-N 2 1 208.265 -0.166 10 0 BBAEMP C[C@]([NH3+])(Cn1cc[nH+]c1C1CC1)C(N)=O ZINC000707787154 582968572 /nfs/dbraw/zinc/96/85/72/582968572.db2.gz UPUPBUUSYBNSAV-JTQLQIEISA-N 2 1 208.265 -0.037 10 0 BBAEMP C[C@@]([NH3+])(Cn1cc[nH+]c1C1CC1)C(N)=O ZINC000707787159 582968854 /nfs/dbraw/zinc/96/88/54/582968854.db2.gz UPUPBUUSYBNSAV-SNVBAGLBSA-N 2 1 208.265 -0.037 10 0 BBAEMP COC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708824693 712200356 /nfs/dbraw/zinc/20/03/56/712200356.db2.gz BISAXFLQQHBLMA-IVZWLZJFSA-N 2 1 202.298 -0.480 10 0 BBAEMP COC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708824695 712199947 /nfs/dbraw/zinc/19/99/47/712199947.db2.gz BISAXFLQQHBLMA-KXUCPTDWSA-N 2 1 202.298 -0.480 10 0 BBAEMP COC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708824696 712200158 /nfs/dbraw/zinc/20/01/58/712200158.db2.gz BISAXFLQQHBLMA-LPEHRKFASA-N 2 1 202.298 -0.480 10 0 BBAEMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830113 712200263 /nfs/dbraw/zinc/20/02/63/712200263.db2.gz KIZMDMNRGBODOL-GRYCIOLGSA-N 2 1 246.351 -0.463 10 0 BBAEMP COCCOC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830117 712199989 /nfs/dbraw/zinc/19/99/89/712199989.db2.gz KIZMDMNRGBODOL-QJPTWQEYSA-N 2 1 246.351 -0.463 10 0 BBAEMP COCCOC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830118 712199896 /nfs/dbraw/zinc/19/98/96/712199896.db2.gz KIZMDMNRGBODOL-SDDRHHMPSA-N 2 1 246.351 -0.463 10 0 BBAEMP CCOC[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708864124 712201292 /nfs/dbraw/zinc/20/12/92/712201292.db2.gz WVTQRQXPFOJGPT-GARJFASQSA-N 2 1 216.325 -0.090 10 0 BBAEMP CCOC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708864129 712201230 /nfs/dbraw/zinc/20/12/30/712201230.db2.gz WVTQRQXPFOJGPT-OUAUKWLOSA-N 2 1 216.325 -0.090 10 0 BBAEMP CO[C@@H]1C[N@@H+](C[C@H](C)O)[C@](C)(C[NH3+])C1 ZINC000708933972 712203343 /nfs/dbraw/zinc/20/33/43/712203343.db2.gz KAHWUSOQUNXODO-GUBZILKMSA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@H+](C[C@H](C)O)[C@](C)(C[NH3+])C1 ZINC000708933972 712203339 /nfs/dbraw/zinc/20/33/39/712203339.db2.gz KAHWUSOQUNXODO-GUBZILKMSA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)[C@@](C)(C[NH3+])C1 ZINC000708933979 712203663 /nfs/dbraw/zinc/20/36/63/712203663.db2.gz KAHWUSOQUNXODO-KXUCPTDWSA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@H+](C[C@@H](C)O)[C@@](C)(C[NH3+])C1 ZINC000708933979 712203662 /nfs/dbraw/zinc/20/36/62/712203662.db2.gz KAHWUSOQUNXODO-KXUCPTDWSA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@@H+](C[C@H](C)O)[C@@](C)(C[NH3+])C1 ZINC000708933981 712203478 /nfs/dbraw/zinc/20/34/78/712203478.db2.gz KAHWUSOQUNXODO-LPEHRKFASA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@H+](C[C@H](C)O)[C@@](C)(C[NH3+])C1 ZINC000708933981 712203476 /nfs/dbraw/zinc/20/34/76/712203476.db2.gz KAHWUSOQUNXODO-LPEHRKFASA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@@H+](C[C@@H](C)O)[C@](C)(C[NH3+])C1 ZINC000708933985 712203259 /nfs/dbraw/zinc/20/32/59/712203259.db2.gz KAHWUSOQUNXODO-UTLUCORTSA-N 2 1 202.298 -0.195 10 0 BBAEMP CO[C@@H]1C[N@H+](C[C@@H](C)O)[C@](C)(C[NH3+])C1 ZINC000708933985 712203258 /nfs/dbraw/zinc/20/32/58/712203258.db2.gz KAHWUSOQUNXODO-UTLUCORTSA-N 2 1 202.298 -0.195 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cnnn3)C[C@@H]12 ZINC000712549833 712444283 /nfs/dbraw/zinc/44/42/83/712444283.db2.gz CEWSDRLECAGVJM-IVZWLZJFSA-N 2 1 222.296 -0.658 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cnnn3)C[C@H]12 ZINC000712549836 712444538 /nfs/dbraw/zinc/44/45/38/712444538.db2.gz CEWSDRLECAGVJM-KXUCPTDWSA-N 2 1 222.296 -0.658 10 0 BBAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCn3cnnn3)C[C@H]12 ZINC000712549838 712444352 /nfs/dbraw/zinc/44/43/52/712444352.db2.gz CEWSDRLECAGVJM-LPEHRKFASA-N 2 1 222.296 -0.658 10 0 BBAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCn3cnnn3)C[C@@H]12 ZINC000712549840 712444437 /nfs/dbraw/zinc/44/44/37/712444437.db2.gz CEWSDRLECAGVJM-OPRDCNLKSA-N 2 1 222.296 -0.658 10 0 BBAEMP C[C@@H]1C[N@@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712552383 712445031 /nfs/dbraw/zinc/44/50/31/712445031.db2.gz PADIAKIEUCTCTP-BDAKNGLRSA-N 2 1 210.285 -0.800 10 0 BBAEMP C[C@H]1C[N@@H+](CCn2cnnn2)C[C@H]1C[NH3+] ZINC000712552385 712445086 /nfs/dbraw/zinc/44/50/86/712445086.db2.gz PADIAKIEUCTCTP-DTWKUNHWSA-N 2 1 210.285 -0.800 10 0 BBAEMP C[C@H]1C[N@@H+](CCn2cnnn2)C[C@@H]1C[NH3+] ZINC000712552386 712444922 /nfs/dbraw/zinc/44/49/22/712444922.db2.gz PADIAKIEUCTCTP-IUCAKERBSA-N 2 1 210.285 -0.800 10 0 BBAEMP C[N@@H+](CCn1cnnn1)[C@H]1CCC[NH2+]CC1 ZINC000712553289 712445280 /nfs/dbraw/zinc/44/52/80/712445280.db2.gz VXKDBYFOGSHQRJ-JTQLQIEISA-N 2 1 224.312 -0.253 10 0 BBAEMP C[N@@H+](CCn1cnnn1)[C@@H]1CCC[NH2+]CC1 ZINC000712553290 712445052 /nfs/dbraw/zinc/44/50/52/712445052.db2.gz VXKDBYFOGSHQRJ-SNVBAGLBSA-N 2 1 224.312 -0.253 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712672585 712440217 /nfs/dbraw/zinc/44/02/17/712440217.db2.gz HUVIPMONDFMTRZ-JTQLQIEISA-N 2 1 243.351 -0.097 10 0 BBAEMP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712672587 712440548 /nfs/dbraw/zinc/44/05/48/712440548.db2.gz HUVIPMONDFMTRZ-SNVBAGLBSA-N 2 1 243.351 -0.097 10 0 BBAEMP CCc1[nH+]c(C)cn1C[C@@H]([NH2+]C)C(N)=O ZINC000715102622 537862939 /nfs/dbraw/zinc/86/29/39/537862939.db2.gz BIMCRWVVCCEPTF-MRVPVSSYSA-N 2 1 210.281 -0.173 10 0 BBAEMP CCc1[nH+]c(C)cn1C[C@H]([NH2+]C)C(N)=O ZINC000715102623 537863154 /nfs/dbraw/zinc/86/31/54/537863154.db2.gz BIMCRWVVCCEPTF-QMMMGPOBSA-N 2 1 210.281 -0.173 10 0 BBAEMP CCc1[nH+]c(C)cn1CC[C@@H]([NH3+])C(N)=O ZINC000715103543 537863296 /nfs/dbraw/zinc/86/32/96/537863296.db2.gz HOKVWSGNVSRMGN-MRVPVSSYSA-N 2 1 210.281 -0.043 10 0 BBAEMP CCc1[nH+]c(C)cn1CC[C@H]([NH3+])C(N)=O ZINC000715103549 537862967 /nfs/dbraw/zinc/86/29/67/537862967.db2.gz HOKVWSGNVSRMGN-QMMMGPOBSA-N 2 1 210.281 -0.043 10 0 BBAEMP CCc1[nH+]c(C)cn1C[C@](C)([NH3+])C(N)=O ZINC000715104505 537863051 /nfs/dbraw/zinc/86/30/51/537863051.db2.gz NLQYTOGVEYMMIC-JTQLQIEISA-N 2 1 210.281 -0.043 10 0 BBAEMP CCc1[nH+]c(C)cn1C[C@@](C)([NH3+])C(N)=O ZINC000715104508 537863412 /nfs/dbraw/zinc/86/34/12/537863412.db2.gz NLQYTOGVEYMMIC-SNVBAGLBSA-N 2 1 210.281 -0.043 10 0 BBAEMP CC[NH2+][C@H](Cn1cc(C)[nH+]c1C)C(N)=O ZINC000715145030 537864988 /nfs/dbraw/zinc/86/49/88/537864988.db2.gz ZUYQOJDCIXEWKN-SECBINFHSA-N 2 1 210.281 -0.037 10 0 BBAEMP CC[NH2+][C@@H](Cn1cc(C)[nH+]c1C)C(N)=O ZINC000715145031 537865689 /nfs/dbraw/zinc/86/56/89/537865689.db2.gz ZUYQOJDCIXEWKN-VIFPVBQESA-N 2 1 210.281 -0.037 10 0 BBAEMP C[NH2+][C@@](C)(Cn1cc(C)[nH+]c1C)C(N)=O ZINC000715150286 537866003 /nfs/dbraw/zinc/86/60/03/537866003.db2.gz BZJSIXQVCHJPKT-JTQLQIEISA-N 2 1 210.281 -0.037 10 0 BBAEMP C[NH2+][C@](C)(Cn1cc(C)[nH+]c1C)C(N)=O ZINC000715150289 537865922 /nfs/dbraw/zinc/86/59/22/537865922.db2.gz BZJSIXQVCHJPKT-SNVBAGLBSA-N 2 1 210.281 -0.037 10 0 BBAEMP C[NH2+][C@H](CCn1cc(C)[nH+]c1C)C(N)=O ZINC000715151324 537865829 /nfs/dbraw/zinc/86/58/29/537865829.db2.gz QOOQBHOPGSDBRL-SECBINFHSA-N 2 1 210.281 -0.037 10 0 BBAEMP C[NH2+][C@@H](CCn1cc(C)[nH+]c1C)C(N)=O ZINC000715151326 537865138 /nfs/dbraw/zinc/86/51/38/537865138.db2.gz QOOQBHOPGSDBRL-VIFPVBQESA-N 2 1 210.281 -0.037 10 0 BBAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716718205 712570630 /nfs/dbraw/zinc/57/06/30/712570630.db2.gz UZDMCYABUINAFV-AUXWQGHOSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716718209 712570645 /nfs/dbraw/zinc/57/06/45/712570645.db2.gz UZDMCYABUINAFV-NFTFJBJSSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716718214 712570670 /nfs/dbraw/zinc/57/06/70/712570670.db2.gz UZDMCYABUINAFV-SEZDTBSWSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC(C(N)=O)C1 ZINC000716718220 712570816 /nfs/dbraw/zinc/57/08/16/712570816.db2.gz UZDMCYABUINAFV-WOOKNIGNSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000716718280 712570739 /nfs/dbraw/zinc/57/07/39/712570739.db2.gz VLVXTGIGTGIZEM-AUXWQGHOSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000716718284 712570833 /nfs/dbraw/zinc/57/08/33/712570833.db2.gz VLVXTGIGTGIZEM-NFTFJBJSSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000716718286 712570716 /nfs/dbraw/zinc/57/07/16/712570716.db2.gz VLVXTGIGTGIZEM-SEZDTBSWSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[C@@H]([NH2+]C1CC(C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000716718291 712570811 /nfs/dbraw/zinc/57/08/11/712570811.db2.gz VLVXTGIGTGIZEM-WOOKNIGNSA-N 2 1 211.309 -0.020 10 0 BBAEMP C[NH+]1CCC([NH2+]C2CC(C(N)=O)C2)CC1 ZINC000716741074 712571901 /nfs/dbraw/zinc/57/19/01/712571901.db2.gz MZQRRFLHWGOYSD-UHFFFAOYSA-N 2 1 211.309 -0.066 10 0 BBAEMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716760784 712572870 /nfs/dbraw/zinc/57/28/70/712572870.db2.gz ONPBNGPCNKIIHT-AMUVOQDHSA-N 2 1 241.335 -0.705 10 0 BBAEMP C[N@H+](C[C@@H](O)C[NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716760784 712572869 /nfs/dbraw/zinc/57/28/69/712572869.db2.gz ONPBNGPCNKIIHT-AMUVOQDHSA-N 2 1 241.335 -0.705 10 0 BBAEMP C[N@@H+](C[C@H](O)C[NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716760785 712572805 /nfs/dbraw/zinc/57/28/05/712572805.db2.gz ONPBNGPCNKIIHT-NWGYLPEXSA-N 2 1 241.335 -0.705 10 0 BBAEMP C[N@H+](C[C@H](O)C[NH2+]C1CC(C(N)=O)C1)C1CC1 ZINC000716760785 712572804 /nfs/dbraw/zinc/57/28/04/712572804.db2.gz ONPBNGPCNKIIHT-NWGYLPEXSA-N 2 1 241.335 -0.705 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720906631 712876974 /nfs/dbraw/zinc/87/69/74/712876974.db2.gz LUCFUOMLIDNCPN-AXFHLTTASA-N 2 1 241.335 -0.345 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720906632 712876864 /nfs/dbraw/zinc/87/68/64/712876864.db2.gz LUCFUOMLIDNCPN-DCAQKATOSA-N 2 1 241.335 -0.345 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720906634 712876981 /nfs/dbraw/zinc/87/69/81/712876981.db2.gz LUCFUOMLIDNCPN-GARJFASQSA-N 2 1 241.335 -0.345 10 0 BBAEMP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720906635 712876782 /nfs/dbraw/zinc/87/67/82/712876782.db2.gz LUCFUOMLIDNCPN-HBNTYKKESA-N 2 1 241.335 -0.345 10 0 BBAEMP C[NH+](C)C[C@H](N)CNc1ccnn1C1C[NH2+]C1 ZINC000725260207 541334568 /nfs/dbraw/zinc/33/45/68/541334568.db2.gz PFNAUMBAGVSZJO-SECBINFHSA-N 2 1 238.339 -0.672 10 0 BBAEMP C[NH+](C)C[C@@H](N)CNc1ccnn1C1C[NH2+]C1 ZINC000725260208 541334776 /nfs/dbraw/zinc/33/47/76/541334776.db2.gz PFNAUMBAGVSZJO-VIFPVBQESA-N 2 1 238.339 -0.672 10 0 BBAEMP CC(C)NC(=O)[C@@H]([NH3+])CCN1CCCOCC1 ZINC000725263202 538090106 /nfs/dbraw/zinc/09/01/06/538090106.db2.gz VXZLVQZPYDIAMK-NSHDSACASA-N 2 1 243.351 -0.049 10 0 BBAEMP CC(C)NC(=O)[C@@H](N)CC[N@H+]1CCCOCC1 ZINC000725263202 538090104 /nfs/dbraw/zinc/09/01/04/538090104.db2.gz VXZLVQZPYDIAMK-NSHDSACASA-N 2 1 243.351 -0.049 10 0 BBAEMP COCC[NH+]1CCN([C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000725263697 541337021 /nfs/dbraw/zinc/33/70/21/541337021.db2.gz ALUVMKHZEBSOOJ-NEPJUHHUSA-N 2 1 245.342 -0.050 10 0 BBAEMP COCC[NH+]1CCN([C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000725263698 541336245 /nfs/dbraw/zinc/33/62/45/541336245.db2.gz ALUVMKHZEBSOOJ-NWDGAFQWSA-N 2 1 245.342 -0.050 10 0 BBAEMP COCC[NH+]1CCN([C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000725263699 541337000 /nfs/dbraw/zinc/33/70/00/541337000.db2.gz ALUVMKHZEBSOOJ-RYUDHWBXSA-N 2 1 245.342 -0.050 10 0 BBAEMP COCC[NH+]1CCN([C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000725263700 541336680 /nfs/dbraw/zinc/33/66/80/541336680.db2.gz ALUVMKHZEBSOOJ-VXGBXAGGSA-N 2 1 245.342 -0.050 10 0 BBAEMP C[N@H+]1CCc2nnc(N3CC[NH2+]CC3)cc2C1 ZINC000725264828 538092202 /nfs/dbraw/zinc/09/22/02/538092202.db2.gz HSNUNJBDMRQNPF-UHFFFAOYSA-N 2 1 233.319 -0.126 10 0 BBAEMP C[NH2+]CCC1=[NH+]CCN1C(=O)CCOC ZINC000725272225 538103826 /nfs/dbraw/zinc/10/38/26/538103826.db2.gz ISUSKQFXGBRKFG-UHFFFAOYSA-N 2 1 213.281 -0.127 10 0 BBAEMP C[C@H](O)C[N@@H+](C)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273842 538104819 /nfs/dbraw/zinc/10/48/19/538104819.db2.gz MXLGZQRPIAGHEJ-AXFHLTTASA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@H+](C)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273842 538104818 /nfs/dbraw/zinc/10/48/18/538104818.db2.gz MXLGZQRPIAGHEJ-AXFHLTTASA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@@H+](C)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273843 538104791 /nfs/dbraw/zinc/10/47/91/538104791.db2.gz MXLGZQRPIAGHEJ-DCAQKATOSA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@H+](C)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273843 538104790 /nfs/dbraw/zinc/10/47/90/538104790.db2.gz MXLGZQRPIAGHEJ-DCAQKATOSA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@@H+](C)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273844 538105042 /nfs/dbraw/zinc/10/50/42/538105042.db2.gz MXLGZQRPIAGHEJ-GARJFASQSA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@H+](C)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273844 538105041 /nfs/dbraw/zinc/10/50/41/538105041.db2.gz MXLGZQRPIAGHEJ-GARJFASQSA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273845 538104907 /nfs/dbraw/zinc/10/49/07/538104907.db2.gz MXLGZQRPIAGHEJ-HBNTYKKESA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@H](O)C[N@H+](C)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273845 538104906 /nfs/dbraw/zinc/10/49/06/538104906.db2.gz MXLGZQRPIAGHEJ-HBNTYKKESA-N 2 1 216.325 -0.124 10 0 BBAEMP C[C@@H]1CNCC[N@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273893 538105064 /nfs/dbraw/zinc/10/50/64/538105064.db2.gz RAIYVHMMJPLAJN-LLVKDONJSA-N 2 1 226.368 -0.297 10 0 BBAEMP C[C@@H]1CNCC[N@@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273893 538105063 /nfs/dbraw/zinc/10/50/63/538105063.db2.gz RAIYVHMMJPLAJN-LLVKDONJSA-N 2 1 226.368 -0.297 10 0 BBAEMP C[C@H]1CNCC[N@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273894 538104845 /nfs/dbraw/zinc/10/48/45/538104845.db2.gz RAIYVHMMJPLAJN-NSHDSACASA-N 2 1 226.368 -0.297 10 0 BBAEMP C[C@H]1CNCC[N@@H+]1C1CCN(CC[NH3+])CC1 ZINC000725273894 538104844 /nfs/dbraw/zinc/10/48/44/538104844.db2.gz RAIYVHMMJPLAJN-NSHDSACASA-N 2 1 226.368 -0.297 10 0 BBAEMP CC[N@@H+](CCO)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273915 538105045 /nfs/dbraw/zinc/10/50/45/538105045.db2.gz UMFXFBXGQMLWGB-GHMZBOCLSA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@H+](CCO)[C@@H]1COC[C@H]1C[NH+](C)C ZINC000725273915 538105044 /nfs/dbraw/zinc/10/50/44/538105044.db2.gz UMFXFBXGQMLWGB-GHMZBOCLSA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@@H+](CCO)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273916 538104881 /nfs/dbraw/zinc/10/48/81/538104881.db2.gz UMFXFBXGQMLWGB-MNOVXSKESA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@H+](CCO)[C@H]1COC[C@H]1C[NH+](C)C ZINC000725273916 538104880 /nfs/dbraw/zinc/10/48/80/538104880.db2.gz UMFXFBXGQMLWGB-MNOVXSKESA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@@H+](CCO)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273917 538104981 /nfs/dbraw/zinc/10/49/81/538104981.db2.gz UMFXFBXGQMLWGB-QWRGUYRKSA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@H+](CCO)[C@H]1COC[C@@H]1C[NH+](C)C ZINC000725273917 538104979 /nfs/dbraw/zinc/10/49/79/538104979.db2.gz UMFXFBXGQMLWGB-QWRGUYRKSA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@@H+](CCO)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273918 538104852 /nfs/dbraw/zinc/10/48/52/538104852.db2.gz UMFXFBXGQMLWGB-WDEREUQCSA-N 2 1 216.325 -0.123 10 0 BBAEMP CC[N@H+](CCO)[C@@H]1COC[C@@H]1C[NH+](C)C ZINC000725273918 538104851 /nfs/dbraw/zinc/10/48/51/538104851.db2.gz UMFXFBXGQMLWGB-WDEREUQCSA-N 2 1 216.325 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](CO)C1 ZINC000725273953 538105036 /nfs/dbraw/zinc/10/50/36/538105036.db2.gz YCKQQWMSWRAWIL-IJLUTSLNSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H](CO)C1 ZINC000725273953 538105035 /nfs/dbraw/zinc/10/50/35/538105035.db2.gz YCKQQWMSWRAWIL-IJLUTSLNSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@H+]1CC[C@H](CO)C1 ZINC000725273954 538104925 /nfs/dbraw/zinc/10/49/25/538104925.db2.gz YCKQQWMSWRAWIL-QJPTWQEYSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@H]1[N@@H+]1CC[C@H](CO)C1 ZINC000725273954 538104924 /nfs/dbraw/zinc/10/49/24/538104924.db2.gz YCKQQWMSWRAWIL-QJPTWQEYSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@@H]1[N@H+]1CC[C@H](CO)C1 ZINC000725273955 538104781 /nfs/dbraw/zinc/10/47/81/538104781.db2.gz YCKQQWMSWRAWIL-TUAOUCFPSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@@H]1[N@@H+]1CC[C@H](CO)C1 ZINC000725273955 538104780 /nfs/dbraw/zinc/10/47/80/538104780.db2.gz YCKQQWMSWRAWIL-TUAOUCFPSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](CO)C1 ZINC000725273956 538104726 /nfs/dbraw/zinc/10/47/26/538104726.db2.gz YCKQQWMSWRAWIL-UTUOFQBUSA-N 2 1 228.336 -0.123 10 0 BBAEMP C[NH+](C)C[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H](CO)C1 ZINC000725273956 538104725 /nfs/dbraw/zinc/10/47/25/538104725.db2.gz YCKQQWMSWRAWIL-UTUOFQBUSA-N 2 1 228.336 -0.123 10 0 BBAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CC[C@H]1C(N)=O ZINC000757143579 582523851 /nfs/dbraw/zinc/52/38/51/582523851.db2.gz HIYRIMBEVLGUBT-BDAKNGLRSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@@H](C[NH3+])CC[N@@H+]1CC[C@H]1C(N)=O ZINC000757143579 582523850 /nfs/dbraw/zinc/52/38/50/582523850.db2.gz HIYRIMBEVLGUBT-BDAKNGLRSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@H](C[NH3+])CC[N@H+]1CC[C@@H]1C(N)=O ZINC000757143606 582523881 /nfs/dbraw/zinc/52/38/81/582523881.db2.gz HIYRIMBEVLGUBT-DTWKUNHWSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@H](C[NH3+])CC[N@@H+]1CC[C@@H]1C(N)=O ZINC000757143606 582523880 /nfs/dbraw/zinc/52/38/80/582523880.db2.gz HIYRIMBEVLGUBT-DTWKUNHWSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@H](C[NH3+])CC[N@H+]1CC[C@H]1C(N)=O ZINC000757143612 582523978 /nfs/dbraw/zinc/52/39/78/582523978.db2.gz HIYRIMBEVLGUBT-IUCAKERBSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@H](C[NH3+])CC[N@@H+]1CC[C@H]1C(N)=O ZINC000757143612 582523976 /nfs/dbraw/zinc/52/39/76/582523976.db2.gz HIYRIMBEVLGUBT-IUCAKERBSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@@H](C[NH3+])CC[N@H+]1CC[C@@H]1C(N)=O ZINC000757143618 582523820 /nfs/dbraw/zinc/52/38/20/582523820.db2.gz HIYRIMBEVLGUBT-RKDXNWHRSA-N 2 1 215.297 -0.700 10 0 BBAEMP CCO[C@@H](C[NH3+])CC[N@@H+]1CC[C@@H]1C(N)=O ZINC000757143618 582523819 /nfs/dbraw/zinc/52/38/19/582523819.db2.gz HIYRIMBEVLGUBT-RKDXNWHRSA-N 2 1 215.297 -0.700 10 0 BBAEMP NC(=O)[C@H]1CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000757145265 582526883 /nfs/dbraw/zinc/52/68/83/582526883.db2.gz KZVBQJJTUAWRJG-NXEZZACHSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@@H]1CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000757145272 582527362 /nfs/dbraw/zinc/52/73/62/582527362.db2.gz KZVBQJJTUAWRJG-UWVGGRQHSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@H]1CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000757145276 582527404 /nfs/dbraw/zinc/52/74/04/582527404.db2.gz KZVBQJJTUAWRJG-VHSXEESVSA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@@H]1CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000757145284 582527548 /nfs/dbraw/zinc/52/75/48/582527548.db2.gz KZVBQJJTUAWRJG-ZJUUUORDSA-N 2 1 211.309 -0.064 10 0 BBAEMP C[NH+]1CCC2(CC1)NC[C@@]1(COCC[NH2+]1)CO2 ZINC000757147026 582530957 /nfs/dbraw/zinc/53/09/57/582530957.db2.gz RRTYJPXEZZOAFG-LLVKDONJSA-N 2 1 241.335 -0.613 10 0 BBAEMP C[NH+]1CCC2(CC1)NC[C@]1(COCC[NH2+]1)CO2 ZINC000757147039 582530815 /nfs/dbraw/zinc/53/08/15/582530815.db2.gz RRTYJPXEZZOAFG-NSHDSACASA-N 2 1 241.335 -0.613 10 0 BBAEMP C[NH+]1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757148322 582532597 /nfs/dbraw/zinc/53/25/97/582532597.db2.gz NBKLKHXUSZBSFJ-UHFFFAOYSA-N 3 1 211.309 -0.240 10 0 BBAEMP C1COC[C@]2(CNC3(CC[NH2+]CC3)OC2)[NH2+]1 ZINC000757150455 582534784 /nfs/dbraw/zinc/53/47/84/582534784.db2.gz YFZOPQZREDKRRA-JTQLQIEISA-N 2 1 227.308 -0.956 10 0 BBAEMP C1COC[C@@]2(CNC3(CC[NH2+]CC3)OC2)[NH2+]1 ZINC000757150468 582534789 /nfs/dbraw/zinc/53/47/89/582534789.db2.gz YFZOPQZREDKRRA-SNVBAGLBSA-N 2 1 227.308 -0.956 10 0 BBAEMP COC[C@@H](CCC[NH3+])[N@H+]1CC[C@H]1C(N)=O ZINC000757157423 582541408 /nfs/dbraw/zinc/54/14/08/582541408.db2.gz NAHFLXLYSULNPZ-BDAKNGLRSA-N 2 1 215.297 -0.700 10 0 BBAEMP COC[C@H](CCC[NH3+])[N@H+]1CC[C@@H]1C(N)=O ZINC000757157428 582540992 /nfs/dbraw/zinc/54/09/92/582540992.db2.gz NAHFLXLYSULNPZ-DTWKUNHWSA-N 2 1 215.297 -0.700 10 0 BBAEMP COC[C@H](CCC[NH3+])[N@H+]1CC[C@H]1C(N)=O ZINC000757157430 582541046 /nfs/dbraw/zinc/54/10/46/582541046.db2.gz NAHFLXLYSULNPZ-IUCAKERBSA-N 2 1 215.297 -0.700 10 0 BBAEMP COC[C@@H](CCC[NH3+])[N@H+]1CC[C@@H]1C(N)=O ZINC000757157431 582541019 /nfs/dbraw/zinc/54/10/19/582541019.db2.gz NAHFLXLYSULNPZ-RKDXNWHRSA-N 2 1 215.297 -0.700 10 0 BBAEMP NC(=O)[C@@H]1CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000757160209 582543448 /nfs/dbraw/zinc/54/34/48/582543448.db2.gz RGCHQAFYDDIHFM-JTQLQIEISA-N 2 1 211.309 -0.064 10 0 BBAEMP NC(=O)[C@H]1CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000757160210 582543655 /nfs/dbraw/zinc/54/36/55/582543655.db2.gz RGCHQAFYDDIHFM-SNVBAGLBSA-N 2 1 211.309 -0.064 10 0 BBAEMP C[C@H](C1CC[NH2+]CC1)[N@H+]1CC[C@@H]1C(N)=O ZINC000757163394 586432439 /nfs/dbraw/zinc/43/24/39/586432439.db2.gz ZREHAUCFFLRYJQ-PSASIEDQSA-N 2 1 211.309 -0.066 10 0 BBAEMP C[C@H](C1CC[NH2+]CC1)[N@H+]1CC[C@H]1C(N)=O ZINC000757163396 586432434 /nfs/dbraw/zinc/43/24/34/586432434.db2.gz ZREHAUCFFLRYJQ-SCZZXKLOSA-N 2 1 211.309 -0.066 10 0 BBAEMP C[C@@H](C1CC[NH2+]CC1)[N@H+]1CC[C@@H]1C(N)=O ZINC000757163400 586432712 /nfs/dbraw/zinc/43/27/12/586432712.db2.gz ZREHAUCFFLRYJQ-WCBMZHEXSA-N 2 1 211.309 -0.066 10 0 BBAEMP C[C@@H](C1CC[NH2+]CC1)[N@H+]1CC[C@H]1C(N)=O ZINC000757163403 586432817 /nfs/dbraw/zinc/43/28/17/586432817.db2.gz ZREHAUCFFLRYJQ-WPRPVWTQSA-N 2 1 211.309 -0.066 10 0 BBAEMP [NH3+]CCC[C@@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757198894 586436638 /nfs/dbraw/zinc/43/66/38/586436638.db2.gz FDOGWPYWRUGPSY-MRVPVSSYSA-N 2 1 241.295 -0.355 10 0 BBAEMP [NH3+]CCC[C@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757198901 586436726 /nfs/dbraw/zinc/43/67/26/586436726.db2.gz FDOGWPYWRUGPSY-QMMMGPOBSA-N 2 1 241.295 -0.355 10 0 BBAEMP